#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4req s LEU 21 N 0.00 4.08 -0.25 1.09 2.96 -1.26 -5.03 118.68 120.27 4req s LEU 21 Ca 0.00 0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 4req s LEU 21 Cb 0.00 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 4req s LEU 21 CO 0.00 -0.00 0.22 -0.55 -1.32 0.00 0.00 176.35 174.70 4req s SER 22 N 1.32 6.14 0.00 3.68 0.15 -1.26 -4.96 113.70 118.76 4req s SER 22 Ca 0.09 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.88 4req s SER 22 Cb -0.15 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 4req s SER 22 CO 0.07 -0.02 0.00 0.18 1.20 0.00 0.00 173.24 174.67 4req n LEU 23 N 4.69 0.00 0.11 3.45 4.77 -1.26 -4.72 117.00 124.04 4req n LEU 23 Ca -0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.83 4req n LEU 23 Cb 0.52 -0.02 0.19 0.00 -2.33 0.00 0.00 43.42 41.78 4req n LEU 23 CO 0.35 -0.15 0.56 0.00 -1.33 0.00 0.00 177.39 176.82 4req h ALA 24 N -0.24 1.02 -1.12 -1.18 0.00 -1.95 -3.18 119.26 112.62 4req h ALA 24 Ca 0.00 -0.48 0.31 0.00 0.00 0.00 0.00 54.91 54.74 4req h ALA 24 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 4req h ALA 24 CO 0.00 0.67 0.73 0.78 0.00 0.00 0.00 179.25 181.43 4req h GLY 25 N 1.45 1.02 1.67 0.00 0.00 -1.95 -1.07 103.07 104.19 4req h GLY 25 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 4req h GLY 25 CO 0.08 -0.16 0.00 1.22 0.00 0.00 0.00 176.54 177.68 4req n ASP 26 N -4.56 0.00 -4.27 0.19 9.92 -1.20 -4.90 116.55 111.73 4req n ASP 26 Ca 0.27 0.07 -0.15 0.00 -0.53 0.00 0.00 54.79 54.45 4req n ASP 26 Cb 1.04 -0.34 -0.10 0.00 -0.64 0.00 0.00 41.12 41.08 4req n ASP 26 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 4req s PHE 27 N -2.67 1.37 0.24 1.24 0.08 -0.41 -5.11 117.98 112.73 4req s PHE 27 Ca 0.20 -0.69 -0.30 0.00 0.12 0.00 0.00 56.93 56.25 4req s PHE 27 Cb 0.16 -0.68 -0.15 0.00 -0.57 0.00 0.00 43.02 41.78 4req s PHE 27 CO 0.38 0.15 1.11 -2.30 -0.10 0.00 0.00 175.22 174.46 4req n PRO 28 N -0.15 1.37 -1.80 0.24 -0.02 -1.26 -4.82 135.00 128.56 4req n PRO 28 Ca -0.10 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 4req n PRO 28 Cb 0.60 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 4req n PRO 28 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 4req s LYS 29 N -0.99 4.16 -0.07 -0.52 2.20 -1.26 -4.93 119.74 118.32 4req s LYS 29 Ca 0.65 2.51 -0.24 0.00 -0.36 0.00 0.00 55.97 58.52 4req s LYS 29 Cb -0.75 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.14 4req s LYS 29 CO 0.56 -0.76 0.75 0.00 -0.36 0.00 0.00 175.35 175.54 4req s ALA 30 N 2.09 3.33 0.24 3.13 0.00 -1.26 -5.06 121.76 124.23 4req s ALA 30 Ca 0.76 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.96 4req s ALA 30 Cb -0.45 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 4req s ALA 30 CO 0.34 -0.18 0.15 0.95 0.00 0.00 0.00 175.76 177.01 4req s THR 31 N 0.98 4.26 0.17 0.00 -4.23 -1.26 -5.03 115.64 110.53 4req s THR 31 Ca 0.39 -1.46 -0.17 0.00 -1.18 0.00 0.00 61.69 59.27 4req s THR 31 Cb -0.18 -3.28 0.12 0.00 1.34 0.00 0.00 72.50 70.50 4req s THR 31 CO 0.19 -0.32 1.65 -0.08 -0.54 0.00 0.00 174.62 175.51 4req h GLU 32 N 1.69 -0.05 -0.84 3.99 4.81 -1.99 -2.04 114.58 120.16 4req h GLU 32 Ca -0.48 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 4req h GLU 32 Cb 1.24 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 4req h GLU 32 CO 0.61 -0.03 0.46 0.93 -0.73 0.00 0.00 179.01 180.24 4req h GLU 33 N -0.05 0.69 -0.09 1.92 5.08 -1.98 -0.30 114.58 119.85 4req h GLU 33 Ca 0.21 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 4req h GLU 33 Cb 0.37 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 4req h GLU 33 CO -0.47 0.45 0.04 1.96 -1.00 0.00 0.00 179.01 179.99 4req h GLN 34 N 0.71 0.14 -0.11 2.33 4.20 -1.80 -0.54 115.11 120.03 4req h GLN 34 Ca 0.43 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 59.14 4req h GLN 34 Cb 0.51 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 4req h GLN 34 CO -0.31 0.26 -0.05 2.35 -0.67 0.00 0.00 178.83 180.41 4req h TRP 35 N -0.02 -0.12 -0.91 2.96 7.01 -0.72 -1.52 115.95 122.64 4req h TRP 35 Ca 0.03 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.13 4req h TRP 35 Cb 0.18 0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.23 4req h TRP 35 CO -0.01 -0.08 0.56 0.93 -2.79 0.00 0.00 178.44 177.05 4req h GLU 36 N -0.04 0.94 -0.55 2.65 5.08 -0.97 0.75 114.58 122.43 4req h GLU 36 Ca 0.06 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 4req h GLU 36 Cb 0.13 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 4req h GLU 36 CO -0.13 0.62 0.18 0.00 -1.00 0.00 0.00 179.01 178.68 4req h ARG 37 N 0.97 0.85 -0.59 2.33 3.08 -0.75 0.11 114.38 120.39 4req h ARG 37 Ca 0.42 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 4req h ARG 37 Cb 0.30 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 4req h ARG 37 CO -0.22 0.77 0.16 0.93 -1.07 0.00 0.00 179.97 180.54 4req h GLU 38 N 0.76 0.93 -0.09 0.04 4.39 -0.30 -1.93 114.58 118.38 4req h GLU 38 Ca 0.18 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.67 4req h GLU 38 Cb 0.26 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 4req h GLU 38 CO -0.01 0.85 0.06 0.28 -1.16 0.00 0.00 179.01 179.03 4req h VAL 39 N 0.84 1.04 -0.57 3.13 2.07 -0.49 -2.96 116.25 119.32 4req h VAL 39 Ca 0.19 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.72 4req h VAL 39 Cb 0.32 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 4req h VAL 39 CO -0.00 0.04 0.08 -0.33 0.02 0.00 0.00 177.57 177.38 4req h GLU 40 N 0.10 0.20 -0.40 1.57 5.08 -0.82 -2.31 114.58 118.01 4req h GLU 40 Ca 0.03 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 4req h GLU 40 Cb 0.01 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 4req h GLU 40 CO -0.01 0.13 0.14 0.87 -1.00 0.00 0.00 179.01 179.14 4req h LYS 41 N 0.21 0.29 -0.45 2.33 1.57 -1.22 0.45 116.57 119.74 4req h LYS 41 Ca 0.29 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 4req h LYS 41 Cb 0.44 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 4req h LYS 41 CO -0.41 0.19 0.11 0.28 -0.57 0.00 0.00 179.45 179.05 4req h VAL 42 N 0.30 1.23 0.00 0.50 2.07 -1.30 -2.65 116.25 116.40 4req h VAL 42 Ca 0.18 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 4req h VAL 42 Cb 0.17 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 4req h VAL 42 CO -0.19 0.29 -0.34 -0.07 0.02 0.00 0.00 177.57 177.27 4req h LEU 43 N 0.59 0.00 0.00 2.57 4.07 -1.18 -3.17 115.31 118.19 4req h LEU 43 Ca 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 4req h LEU 43 Cb 0.31 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 4req h LEU 43 CO 0.00 0.34 -0.27 0.78 -1.08 0.00 0.00 178.44 178.22 4req h ASN 44 N 0.00 0.00 -1.57 -0.43 2.35 -0.82 -3.45 115.58 111.66 4req h ASN 44 Ca -0.00 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 55.02 4req h ASN 44 Cb 0.94 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.33 4req h ASN 44 CO 0.04 0.09 0.84 0.54 -1.65 0.00 0.00 177.43 177.30 4req n ARG 45 N -3.05 1.17 0.00 0.81 1.74 -1.01 -0.77 116.66 115.56 4req n ARG 45 Ca 0.03 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 4req n ARG 45 Cb 0.57 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 4req n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4req n GLY 46 N 3.97 2.50 3.73 -0.13 0.00 -1.26 -5.04 105.19 108.96 4req n GLY 46 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 4req n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4req s ARG 47 N -0.62 4.38 0.91 1.61 0.52 0.05 -5.04 118.95 120.76 4req s ARG 47 Ca 0.00 0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 55.80 4req s ARG 47 Cb 0.00 -3.42 0.07 0.00 0.52 0.00 0.00 34.95 32.12 4req s ARG 47 CO 0.00 0.17 0.71 -0.35 0.02 0.00 0.00 175.30 175.85 4req n PRO 48 N 3.47 -0.27 -0.31 3.54 -0.04 -1.26 -4.82 135.00 135.31 4req n PRO 48 Ca -0.04 -0.02 0.24 0.00 -0.04 0.00 0.00 63.50 63.63 4req n PRO 48 Cb 0.51 -2.07 0.54 0.00 -0.04 0.00 0.00 33.50 32.45 4req n PRO 48 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 4req h PRO 49 N -1.54 0.34 -0.44 0.54 0.11 -1.97 -1.50 132.00 127.53 4req h PRO 49 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 4req h PRO 49 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 4req h PRO 49 CO 0.38 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 4req n GLU 50 N -4.55 2.44 -1.89 1.05 4.71 -1.26 -4.27 120.64 116.86 4req n GLU 50 Ca 0.24 -2.19 -0.11 0.00 -0.01 0.00 0.00 57.16 55.09 4req n GLU 50 Cb 0.89 -1.50 0.06 0.00 -1.01 0.00 0.00 31.44 29.87 4req n GLU 50 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 4req n LYS 51 N 1.36 2.56 -2.98 3.49 5.02 -0.57 -5.07 118.16 121.98 4req n LYS 51 Ca 0.20 -3.70 -0.40 0.00 -2.02 0.00 0.00 58.31 52.39 4req n LYS 51 Cb 0.57 -1.84 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 4req n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 4req s GLN 52 N -3.30 4.53 0.29 1.97 -1.52 -1.23 -4.61 119.66 115.79 4req s GLN 52 Ca 0.42 1.12 -0.01 0.00 -1.95 0.00 0.00 55.36 54.94 4req s GLN 52 Cb 0.38 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.82 4req s GLN 52 CO -0.01 0.43 0.51 -0.51 -0.25 0.00 0.00 175.29 175.45 4req s LEU 53 N -0.61 4.09 0.45 2.90 1.43 -1.26 -5.12 118.68 120.56 4req s LEU 53 Ca 0.37 0.51 0.08 0.00 -1.03 0.00 0.00 54.13 54.06 4req s LEU 53 Cb -0.22 -3.33 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 4req s LEU 53 CO 0.25 -0.20 0.43 0.42 0.23 0.00 0.00 176.35 177.48 4req s THR 54 N -2.13 2.51 0.10 5.49 -4.23 -1.26 -4.94 115.64 111.18 4req s THR 54 Ca 0.41 -1.31 -0.20 0.00 -1.18 0.00 0.00 61.69 59.41 4req s THR 54 Cb -0.10 -2.81 -0.09 0.00 1.34 0.00 0.00 72.50 70.83 4req s THR 54 CO 0.32 0.00 1.70 0.15 -0.54 0.00 0.00 174.62 176.25 4req h PHE 55 N 0.89 0.23 -0.44 3.99 3.57 -1.98 -1.33 116.94 121.87 4req h PHE 55 Ca -0.40 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.17 4req h PHE 55 Cb 1.27 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.85 4req h PHE 55 CO 0.56 0.22 -0.40 0.00 -2.23 0.00 0.00 178.31 176.46 4req h ALA 56 N 0.98 -0.35 -0.53 2.41 0.00 -1.98 0.19 119.26 119.99 4req h ALA 56 Ca 0.06 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.11 4req h ALA 56 Cb 0.07 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 4req h ALA 56 CO -0.01 -0.82 0.22 0.93 0.00 0.00 0.00 179.25 179.57 4req h GLU 57 N -0.29 0.41 -0.65 0.00 5.08 -1.87 -2.54 114.58 114.72 4req h GLU 57 Ca 0.16 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 4req h GLU 57 Cb 0.57 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 4req h GLU 57 CO -0.59 0.27 0.42 0.00 -1.00 0.00 0.00 179.01 178.11 4req h LEU 59 N 0.84 0.77 -0.23 0.00 5.85 -0.37 -1.16 115.31 121.01 4req h LEU 59 Ca 0.25 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.97 4req h LEU 59 Cb -0.05 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 4req h LEU 59 CO -0.07 0.56 0.10 0.11 -0.34 0.00 0.00 178.44 178.79 4req h LYS 60 N 0.91 0.21 -0.10 1.25 1.57 -1.13 -2.29 116.57 116.99 4req h LYS 60 Ca 0.25 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 4req h LYS 60 Cb -0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 4req h LYS 60 CO -0.05 0.14 -0.05 0.00 -0.57 0.00 0.00 179.45 178.92 4req h ARG 61 N 0.22 0.14 -0.12 3.15 3.08 -0.97 -2.85 114.38 117.03 4req h ARG 61 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 4req h ARG 61 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.07 4req h ARG 61 CO -0.08 0.21 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 4req n LEU 62 N -4.40 1.62 -4.76 3.04 4.77 -0.48 -4.88 117.00 111.93 4req n LEU 62 Ca -0.01 -0.64 -0.39 0.00 -0.03 0.00 0.00 56.01 54.94 4req n LEU 62 Cb 0.18 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 4req n LEU 62 CO 0.36 0.32 0.29 -0.89 -1.33 0.00 0.00 177.39 176.14 4req s THR 63 N -1.86 4.95 -0.13 -5.08 2.01 -0.91 -3.95 115.64 110.68 4req s THR 63 Ca 0.34 1.23 -0.06 0.00 0.31 0.00 0.00 61.69 63.52 4req s THR 63 Cb 0.19 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 4req s THR 63 CO 0.29 0.39 0.08 -0.69 -0.69 0.00 0.00 174.62 174.00 4req s VAL 64 N -0.02 4.96 -0.22 3.82 1.01 0.34 -4.93 120.40 125.36 4req s VAL 64 Ca 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 4req s VAL 64 Cb -0.18 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 4req s VAL 64 CO 0.17 0.57 -0.05 -1.00 0.00 0.00 0.00 175.10 174.78 4req s HIS 65 N -0.59 2.95 0.97 5.22 3.76 -1.26 -1.12 115.29 125.22 4req s HIS 65 Ca 0.11 -0.97 -0.13 0.00 -0.15 0.00 0.00 55.06 53.92 4req s HIS 65 Cb -0.12 -2.09 0.17 0.00 1.11 0.00 0.00 32.58 31.65 4req s HIS 65 CO 0.02 -0.55 1.14 0.95 -0.85 0.00 0.00 174.74 175.45 4req s THR 66 N 1.45 1.95 0.26 1.30 -4.23 0.01 -4.89 115.64 111.49 4req s THR 66 Ca 0.06 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 4req s THR 66 Cb -0.14 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.25 4req s THR 66 CO -0.04 0.00 1.82 0.58 -0.54 0.00 0.00 174.62 176.45 4req h VAL 67 N -1.73 0.93 -0.82 2.29 2.07 -1.98 -2.70 116.25 114.31 4req h VAL 67 Ca -0.50 -0.30 -0.48 0.00 0.82 0.00 0.00 66.70 66.24 4req h VAL 67 Cb 1.32 -0.02 -0.25 0.00 -1.52 0.00 0.00 31.29 30.82 4req h VAL 67 CO 0.56 0.16 0.61 -0.90 0.02 0.00 0.00 177.57 178.02 4req n ASP 68 N -4.69 5.14 -1.30 0.57 5.68 -1.26 -4.89 116.55 115.80 4req n ASP 68 Ca 0.15 -3.41 -0.14 0.00 -0.50 0.00 0.00 54.79 50.89 4req n ASP 68 Cb 0.29 -0.87 -0.04 0.00 -1.14 0.00 0.00 41.12 39.35 4req n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4req n GLY 69 N -0.69 0.87 3.71 6.12 0.00 -1.02 -4.95 105.19 109.22 4req n GLY 69 Ca 0.50 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 4req n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4req s ILE 70 N -2.60 5.03 -0.17 -0.61 -1.09 -1.26 -4.81 121.20 115.69 4req s ILE 70 Ca 0.00 1.43 -0.17 0.00 -2.23 0.00 0.00 60.65 59.68 4req s ILE 70 Cb 0.00 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 4req s ILE 70 CO 0.00 0.22 0.44 -1.81 -1.23 0.00 0.00 174.94 172.56 4req s ASP 71 N 0.87 6.56 -0.21 3.58 1.11 -1.26 -0.81 116.67 126.51 4req s ASP 71 Ca 0.37 0.66 0.01 0.00 0.18 0.00 0.00 52.55 53.78 4req s ASP 71 Cb -0.17 -2.26 0.04 0.00 1.07 0.00 0.00 42.92 41.60 4req s ASP 71 CO 0.17 -0.05 -0.13 -0.63 1.18 0.00 0.00 175.17 175.70 4req s ILE 72 N 1.03 1.88 0.59 0.77 1.01 -0.28 -4.98 121.20 121.22 4req s ILE 72 Ca 0.23 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 4req s ILE 72 Cb -0.15 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.44 4req s ILE 72 CO 0.09 0.22 0.90 0.68 0.00 0.00 0.00 174.94 176.83 4req s VAL 73 N 1.30 3.69 0.21 2.92 -7.23 -1.26 -0.50 120.40 119.54 4req s VAL 73 Ca -0.01 0.01 0.04 0.00 -1.81 0.00 0.00 61.98 60.21 4req s VAL 73 Cb -0.16 -3.47 -0.08 0.00 0.56 0.00 0.00 36.38 33.23 4req s VAL 73 CO -0.09 -0.48 1.50 1.55 -0.31 0.00 0.00 175.10 177.28 4req h PRO 74 N -0.16 0.20 -4.62 4.82 0.13 -1.93 -3.46 132.00 126.98 4req h PRO 74 Ca -0.45 -0.16 -0.37 0.00 -0.87 0.00 0.00 66.00 64.14 4req h PRO 74 Cb 1.25 0.03 -0.28 0.00 0.13 0.00 0.00 31.00 32.13 4req h PRO 74 CO 0.61 0.82 -0.77 1.41 -0.23 0.00 0.00 178.00 179.83 4req s MET 75 N -3.55 0.65 0.02 0.86 -2.45 -1.26 -5.14 119.30 108.42 4req s MET 75 Ca -0.03 -0.31 0.08 0.00 -1.25 0.00 0.00 55.69 54.18 4req s MET 75 Cb 0.11 -0.62 -0.03 0.00 1.25 0.00 0.00 34.83 35.54 4req s MET 75 CO 0.80 0.17 -0.23 0.71 1.05 0.00 0.00 175.02 177.53 4req s TYR 76 N -0.23 2.44 0.41 4.11 2.02 -1.26 -5.07 117.35 119.77 4req s TYR 76 Ca 0.03 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.45 4req s TYR 76 Cb -0.03 -1.47 -0.07 0.00 -0.40 0.00 0.00 41.96 39.99 4req s TYR 76 CO -0.00 0.13 0.04 1.03 -1.57 0.00 0.00 175.55 175.18 4req s ARG 77 N -1.08 2.02 0.37 -0.62 0.52 -1.26 -4.85 118.95 114.04 4req s ARG 77 Ca 0.12 -2.07 0.16 0.00 -0.52 0.00 0.00 55.73 53.43 4req s ARG 77 Cb -0.10 -1.70 1.08 0.00 0.52 0.00 0.00 34.95 34.75 4req s ARG 77 CO 0.02 -0.07 1.71 -1.35 0.02 0.00 0.00 175.30 175.63 4req h PRO 78 N 1.69 0.38 0.00 3.54 0.11 -1.98 -2.58 132.00 133.15 4req h PRO 78 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 4req h PRO 78 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 4req h PRO 78 CO 0.79 0.25 0.00 1.57 -0.21 0.00 0.00 178.00 180.40 4req h LYS 79 N 0.39 0.00 0.00 1.05 2.10 -1.99 -2.87 116.57 115.25 4req h LYS 79 Ca 0.68 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.33 4req h LYS 79 Cb 1.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.94 4req h LYS 79 CO -0.45 0.00 -0.19 -0.25 -2.00 0.00 0.00 179.45 176.56 4req n ASP 80 N -2.71 0.31 -4.34 7.07 8.00 -0.97 -4.81 116.55 119.09 4req n ASP 80 Ca -0.01 0.28 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 4req n ASP 80 Cb 0.11 -0.29 -0.15 0.00 -0.02 0.00 0.00 41.12 40.77 4req n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4req s ALA 81 N -3.03 2.26 0.74 2.24 0.00 -1.08 -3.13 121.76 119.76 4req s ALA 81 Ca 0.12 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 4req s ALA 81 Cb 0.17 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.77 4req s ALA 81 CO 0.60 0.54 1.07 -0.35 0.00 0.00 0.00 175.76 177.62 4req n PRO 82 N 2.05 0.49 0.06 0.00 -0.04 -1.26 -4.92 135.00 131.37 4req n PRO 82 Ca -0.16 0.23 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 4req n PRO 82 Cb 0.52 -2.32 -0.09 0.00 -0.04 0.00 0.00 33.50 31.56 4req n PRO 82 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 4req h LYS 83 N -0.35 0.61 -5.17 0.54 6.56 -1.97 -3.41 116.57 113.38 4req h LYS 83 Ca -0.47 -0.68 -0.61 0.00 -1.06 0.00 0.00 60.65 57.82 4req h LYS 83 Cb 1.32 0.20 -0.13 0.00 -0.57 0.00 0.00 32.23 33.05 4req h LYS 83 CO 0.47 1.28 -0.48 0.15 -2.06 0.00 0.00 179.45 178.81 4req s LYS 84 N -3.25 4.12 0.24 3.15 1.02 -1.26 -4.99 119.74 118.77 4req s LYS 84 Ca -0.09 -0.22 0.19 0.00 0.02 0.00 0.00 55.97 55.87 4req s LYS 84 Cb 0.07 -3.50 0.05 0.00 -0.52 0.00 0.00 37.83 33.93 4req s LYS 84 CO 0.91 0.13 1.22 -0.07 -0.92 0.00 0.00 175.35 176.62 4req h LEU 85 N 7.24 0.00 0.00 3.17 3.38 -2.00 -3.51 115.31 123.60 4req h LEU 85 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 4req h LEU 85 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 4req h LEU 85 CO 0.69 0.30 0.00 0.61 0.09 0.00 0.00 178.44 180.14 4req n GLY 86 N 1.23 -0.73 3.22 0.83 0.00 -1.26 -4.87 105.19 103.62 4req n GLY 86 Ca -0.01 -1.67 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 4req n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4req s TYR 87 N -2.30 1.37 0.22 1.61 1.51 -1.26 -5.01 117.35 113.50 4req s TYR 87 Ca 0.00 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 4req s TYR 87 Cb 0.00 -0.75 -0.09 0.00 -0.11 0.00 0.00 41.96 41.02 4req s TYR 87 CO 0.00 0.11 0.96 -1.25 -1.11 0.00 0.00 175.55 174.26 4req s PRO 88 N -2.13 4.82 0.00 -1.71 0.04 -1.26 -3.91 135.00 130.84 4req s PRO 88 Ca 0.04 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.58 4req s PRO 88 Cb -0.08 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.17 4req s PRO 88 CO 0.03 0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.92 4req n GLY 89 N 1.60 0.76 2.87 0.56 0.00 0.69 -4.78 105.19 106.89 4req n GLY 89 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 4req n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 90 N -2.81 -0.01 0.41 1.61 1.01 -1.25 -4.90 120.40 114.46 4req s VAL 90 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 4req s VAL 90 Cb 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 36.38 36.23 4req s VAL 90 CO 0.00 0.02 0.96 0.00 0.00 0.00 0.00 175.10 176.08 4req n ALA 91 N 3.29 -0.03 2.00 5.51 0.00 -1.26 -2.09 120.51 127.93 4req n ALA 91 Ca -0.15 0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.63 4req n ALA 91 Cb 0.58 -2.04 0.62 0.00 0.00 0.00 0.00 19.45 18.60 4req n ALA 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 4req n PRO 92 N 0.24 1.00 -0.98 0.00 -0.04 -1.26 -4.77 135.00 129.19 4req n PRO 92 Ca 0.10 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 4req n PRO 92 Cb 0.38 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 4req n PRO 92 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 4req n PHE 93 N -0.82 0.00 0.11 0.54 3.01 -0.89 -4.18 117.46 115.24 4req n PHE 93 Ca 0.16 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.48 4req n PHE 93 Cb 0.07 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.02 4req n PHE 93 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 4req h THR 94 N 0.00 0.28 -0.01 4.37 2.02 -1.84 -2.50 112.91 115.23 4req h THR 94 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 4req h THR 94 Cb 0.19 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 4req h THR 94 CO 0.00 0.00 0.07 0.03 0.37 0.00 0.00 175.52 175.99 4req h ARG 95 N -0.57 0.00 0.00 6.66 3.08 -1.88 -3.42 114.38 118.24 4req h ARG 95 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 4req h ARG 95 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 4req h ARG 95 CO -0.20 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.11 4req n GLY 96 N -1.15 3.90 0.10 0.04 0.00 -0.94 -4.26 105.19 102.88 4req n GLY 96 Ca -0.03 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 4req n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 4req n THR 97 N -1.43 1.49 -3.12 2.61 -1.04 -1.26 -0.22 114.28 111.30 4req n THR 97 Ca 0.00 0.05 -0.39 0.00 -2.04 0.00 0.00 64.05 61.66 4req n THR 97 Cb 0.00 -2.24 -0.05 0.00 -1.82 0.00 0.00 70.33 66.22 4req n THR 97 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 4req s THR 98 N -2.57 4.95 -0.24 12.58 2.01 -1.26 -3.40 115.64 127.70 4req s THR 98 Ca -0.27 1.36 -0.23 0.00 0.31 0.00 0.00 61.69 62.87 4req s THR 98 Cb 0.06 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 4req s THR 98 CO 0.40 0.34 0.75 -0.69 -0.69 0.00 0.00 174.62 174.73 4req s VAL 99 N 0.25 4.90 0.21 3.82 1.01 -1.26 -4.82 120.40 124.50 4req s VAL 99 Ca 0.34 1.40 -0.27 0.00 0.00 0.00 0.00 61.98 63.45 4req s VAL 99 Cb -0.18 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 4req s VAL 99 CO 0.18 -0.03 0.86 -0.13 0.00 0.00 0.00 175.10 175.99 4req s ARG 100 N 2.65 4.70 0.00 2.72 0.52 -1.26 -4.98 118.95 123.30 4req s ARG 100 Ca 0.32 1.32 0.30 0.00 -0.52 0.00 0.00 55.73 57.15 4req s ARG 100 Cb -0.15 -3.23 1.55 0.00 0.52 0.00 0.00 34.95 33.63 4req s ARG 100 CO 0.08 0.53 2.03 0.27 0.02 0.00 0.00 175.30 178.23 4req n ASN 101 N 1.46 0.36 0.00 0.23 6.94 -1.26 -4.85 115.26 118.15 4req n ASN 101 Ca -0.03 -0.86 0.00 0.00 -0.02 0.00 0.00 54.58 53.66 4req n ASN 101 Cb 0.48 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 4req n ASN 101 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 4req n GLY 102 N 1.14 0.71 3.86 4.83 0.00 -1.26 -5.07 105.19 109.39 4req n GLY 102 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 4req n GLY 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4req s ASP 103 N -2.59 6.70 0.24 1.61 1.11 -1.26 -4.72 116.67 117.76 4req s ASP 103 Ca 0.00 0.90 -0.05 0.00 0.18 0.00 0.00 52.55 53.58 4req s ASP 103 Cb 0.00 -2.22 0.36 0.00 1.07 0.00 0.00 42.92 42.13 4req s ASP 103 CO 0.00 0.12 1.81 0.00 1.18 0.00 0.00 175.17 178.28 4req h MET 104 N 3.52 0.73 -5.60 8.23 -0.00 -1.89 -3.32 114.93 116.60 4req h MET 104 Ca -0.49 -0.04 -0.65 0.00 -0.00 0.00 0.00 59.70 58.52 4req h MET 104 Cb 1.19 -0.16 -0.13 0.00 -0.00 0.00 0.00 31.60 32.49 4req h MET 104 CO 0.67 0.48 1.27 -0.51 -0.00 0.00 0.00 176.91 178.82 4req s ASP 105 N -5.60 6.60 -0.22 -0.10 1.01 -1.26 -4.60 116.67 112.51 4req s ASP 105 Ca -0.12 -1.81 0.14 0.00 0.71 0.00 0.00 52.55 51.46 4req s ASP 105 Cb 0.19 -2.49 -0.23 0.00 1.01 0.00 0.00 42.92 41.39 4req s ASP 105 CO 0.78 -1.28 -0.01 0.00 0.21 0.00 0.00 175.17 174.87 4req n ALA 106 N 7.78 1.48 -2.37 5.23 0.00 -1.25 -4.98 120.51 126.41 4req n ALA 106 Ca 0.30 -1.28 -0.24 0.00 0.00 0.00 0.00 53.44 52.23 4req n ALA 106 Cb 0.50 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 4req n ALA 106 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 4req s TRP 107 N -2.50 2.57 -0.19 0.00 -2.14 -1.26 -5.01 118.94 110.41 4req s TRP 107 Ca -0.17 -0.58 -0.16 0.00 2.66 0.00 0.00 56.10 57.86 4req s TRP 107 Cb 0.07 -2.02 -0.04 0.00 -3.10 0.00 0.00 33.47 28.38 4req s TRP 107 CO 0.77 0.06 0.38 0.34 -2.66 0.00 0.00 176.95 175.84 4req s ASP 108 N -3.99 6.45 -0.55 -2.66 2.15 -1.01 -4.99 116.67 112.07 4req s ASP 108 Ca 0.42 0.53 -0.26 0.00 0.43 0.00 0.00 52.55 53.67 4req s ASP 108 Cb 0.01 -2.23 0.04 0.00 -0.30 0.00 0.00 42.92 40.44 4req s ASP 108 CO 0.24 -0.04 1.04 -0.69 -0.17 0.00 0.00 175.17 175.55 4req s VAL 109 N 1.12 4.25 -0.44 1.11 1.01 -1.26 -1.48 120.40 124.70 4req s VAL 109 Ca 0.19 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 4req s VAL 109 Cb -0.14 -4.60 0.09 0.00 0.00 0.00 0.00 36.38 31.72 4req s VAL 109 CO 0.07 -1.17 0.30 -0.60 0.00 0.00 0.00 175.10 173.70 4req s ARG 110 N 4.33 2.62 0.19 2.72 3.52 -0.88 -0.59 118.95 130.86 4req s ARG 110 Ca 0.36 -1.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.14 4req s ARG 110 Cb -0.10 -3.86 -0.08 0.00 -1.56 0.00 0.00 34.95 29.35 4req s ARG 110 CO 0.23 -1.02 1.04 0.00 -0.81 0.00 0.00 175.30 174.73 4req s ALA 111 N 1.44 3.34 -0.08 6.12 0.00 -1.11 -4.20 121.76 127.26 4req s ALA 111 Ca 0.04 0.74 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 4req s ALA 111 Cb -0.24 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 4req s ALA 111 CO 0.02 -0.08 0.79 -1.17 0.00 0.00 0.00 175.76 175.32 4req s LEU 112 N -0.61 4.28 -0.17 0.00 2.96 -1.26 -1.83 118.68 122.05 4req s LEU 112 Ca 0.46 1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 55.63 4req s LEU 112 Cb -0.28 -3.21 0.05 0.00 0.50 0.00 0.00 46.19 43.24 4req s LEU 112 CO 0.34 -0.22 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.13 4req s HIS 113 N 1.23 1.41 0.00 5.38 3.76 -0.64 -4.98 115.29 121.46 4req s HIS 113 Ca 0.40 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 4req s HIS 113 Cb -0.18 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.33 4req s HIS 113 CO 0.18 -0.59 0.56 0.39 -0.85 0.00 0.00 174.74 174.44 4req n GLU 114 N 4.95 0.77 -2.68 1.40 1.02 -1.26 -1.60 120.64 123.23 4req n GLU 114 Ca -0.10 -0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 55.90 4req n GLU 114 Cb 0.48 -0.72 -0.03 0.00 -0.02 0.00 0.00 31.44 31.15 4req n GLU 114 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 4req s ASP 115 N -0.30 7.25 0.11 1.62 -1.08 -1.26 -4.21 116.67 118.80 4req s ASP 115 Ca 0.00 1.55 -0.23 0.00 -0.52 0.00 0.00 52.55 53.35 4req s ASP 115 Cb 0.00 -2.56 -0.08 0.00 -1.46 0.00 0.00 42.92 38.82 4req s ASP 115 CO 0.00 -0.43 1.69 1.55 0.52 0.00 0.00 175.17 178.50 4req h PRO 116 N 7.08 -0.16 -6.07 4.34 0.13 -1.89 -3.43 132.00 132.01 4req h PRO 116 Ca -0.32 0.01 -0.81 0.00 -0.87 0.00 0.00 66.00 64.01 4req h PRO 116 Cb 1.15 0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.33 4req h PRO 116 CO 0.85 -0.11 0.77 -3.47 -0.23 0.00 0.00 178.00 175.81 4req n ASP 117 N -5.23 1.71 0.06 1.44 -0.08 -1.26 -4.72 116.55 108.46 4req n ASP 117 Ca -0.05 1.14 -0.11 0.00 -1.51 0.00 0.00 54.79 54.25 4req n ASP 117 Cb 0.15 -1.00 -0.01 0.00 2.34 0.00 0.00 41.12 42.61 4req n ASP 117 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 4req h GLU 118 N 5.93 0.38 0.19 -0.67 4.39 -1.98 -2.48 114.58 120.34 4req h GLU 118 Ca -0.45 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 58.87 4req h GLU 118 Cb 1.35 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 4req h GLU 118 CO 0.96 1.02 -0.09 0.87 -1.16 0.00 0.00 179.01 180.62 4req h LYS 119 N 0.24 -0.24 0.02 2.33 1.79 -1.97 -2.57 116.57 116.17 4req h LYS 119 Ca -0.05 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 4req h LYS 119 Cb 1.44 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 32.09 4req h LYS 119 CO 0.14 0.09 -0.51 0.35 -1.08 0.00 0.00 179.45 178.43 4req h PHE 120 N -0.60 -1.50 -0.65 -1.35 3.57 -1.95 -2.45 116.94 112.01 4req h PHE 120 Ca -0.03 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.58 4req h PHE 120 Cb 0.44 0.65 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 4req h PHE 120 CO 0.03 -0.57 0.35 1.15 -2.23 0.00 0.00 178.31 177.04 4req h THR 121 N -0.67 0.95 0.10 4.41 2.02 -1.51 0.26 112.91 118.46 4req h THR 121 Ca 0.02 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.99 4req h THR 121 Cb 0.72 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 4req h THR 121 CO -0.34 0.12 -0.18 -0.09 0.37 0.00 0.00 175.52 175.39 4req h ARG 122 N 0.64 -0.34 0.21 6.66 2.43 -1.30 0.35 114.38 123.04 4req h ARG 122 Ca 0.29 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 4req h ARG 122 Cb 0.20 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 4req h ARG 122 CO -0.19 -0.22 -0.12 0.87 -1.51 0.00 0.00 179.97 178.79 4req h LYS 123 N -0.35 -0.31 -0.48 0.20 1.57 -1.18 -1.91 116.57 114.10 4req h LYS 123 Ca 0.02 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 4req h LYS 123 Cb 0.37 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 4req h LYS 123 CO -0.10 -0.21 0.01 0.00 -0.57 0.00 0.00 179.45 178.59 4req h ALA 124 N 0.46 0.47 0.36 3.86 0.00 -0.78 0.21 119.26 123.84 4req h ALA 124 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 4req h ALA 124 Cb 0.26 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 4req h ALA 124 CO 0.03 -0.38 -0.22 0.82 0.00 0.00 0.00 179.25 179.50 4req h ILE 125 N 0.13 0.55 -0.42 0.00 2.04 -0.20 -1.57 117.51 118.03 4req h ILE 125 Ca 0.24 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.10 4req h ILE 125 Cb 0.36 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 4req h ILE 125 CO -0.39 0.00 0.25 0.25 0.00 0.00 0.00 178.15 178.26 4req h LEU 126 N -0.55 0.50 -0.03 1.44 5.85 -0.67 -0.57 115.31 121.28 4req h LEU 126 Ca -0.04 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.66 4req h LEU 126 Cb 0.45 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 4req h LEU 126 CO 0.04 0.40 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.33 4req h GLU 127 N 0.55 -0.20 -0.31 1.25 4.81 -0.54 -0.69 114.58 119.44 4req h GLU 127 Ca 0.15 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 4req h GLU 127 Cb -0.01 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 4req h GLU 127 CO -0.03 -0.13 0.09 0.78 -0.73 0.00 0.00 179.01 178.99 4req h GLY 128 N -0.21 0.37 1.46 1.92 0.00 -1.16 -2.43 103.07 103.02 4req h GLY 128 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 4req h GLY 128 CO -0.15 0.01 0.18 1.41 0.00 0.00 0.00 176.54 177.99 4req h LEU 129 N 0.21 0.64 -0.34 3.11 -0.00 -0.28 -1.86 115.31 116.79 4req h LEU 129 Ca 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 4req h LEU 129 Cb 0.13 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 4req h LEU 129 CO -0.16 0.59 0.00 -0.33 -0.00 0.00 0.00 178.44 178.54 4req h GLU 130 N 0.69 0.00 -1.64 1.13 5.08 -0.97 -3.35 114.58 115.52 4req h GLU 130 Ca 0.17 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.91 4req h GLU 130 Cb 0.16 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.01 4req h GLU 130 CO -0.01 0.00 -0.48 0.54 -1.00 0.00 0.00 179.01 178.06 4req n ARG 131 N -2.54 3.35 0.00 2.33 1.74 -0.93 -4.98 116.66 115.64 4req n ARG 131 Ca 0.04 -4.41 0.00 0.00 -0.77 0.00 0.00 57.85 52.71 4req n ARG 131 Cb 0.39 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 4req n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4req n GLY 132 N -0.47 2.47 3.75 -0.13 0.00 -1.21 -4.89 105.19 104.70 4req n GLY 132 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 4req n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 133 N -2.21 3.35 -1.07 1.61 1.01 -0.74 -4.76 120.40 117.58 4req s VAL 133 Ca 0.00 1.20 0.15 0.00 0.00 0.00 0.00 61.98 63.32 4req s VAL 133 Cb 0.00 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 4req s VAL 133 CO 0.00 0.22 0.72 0.35 0.00 0.00 0.00 175.10 176.39 4req n THR 134 N 2.03 0.00 -3.79 3.92 -2.24 0.24 -4.54 114.28 109.91 4req n THR 134 Ca 0.03 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 4req n THR 134 Cb 0.44 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 4req n THR 134 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 4req s SER 135 N -2.03 -0.29 0.26 3.42 1.04 -1.03 -4.31 113.70 110.76 4req s SER 135 Ca 0.09 -0.50 0.12 0.00 0.48 0.00 0.00 55.95 56.14 4req s SER 135 Cb 0.11 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.87 4req s SER 135 CO 0.46 -1.24 -0.20 -0.76 0.98 0.00 0.00 173.24 172.48 4req s LEU 136 N -2.89 2.56 -0.37 2.42 1.43 -1.09 -2.77 118.68 117.97 4req s LEU 136 Ca 0.10 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 4req s LEU 136 Cb -0.05 -1.08 0.15 0.00 0.03 0.00 0.00 46.19 45.24 4req s LEU 136 CO 0.04 0.04 0.31 -0.22 0.23 0.00 0.00 176.35 176.74 4req s LEU 137 N -3.35 0.54 0.02 1.79 2.96 -0.76 -1.31 118.68 118.57 4req s LEU 137 Ca 0.28 -2.04 -0.17 0.00 -0.22 0.00 0.00 54.13 51.97 4req s LEU 137 Cb -0.05 0.05 -0.06 0.00 0.50 0.00 0.00 46.19 46.63 4req s LEU 137 CO 0.13 -0.26 0.49 -0.76 -1.32 0.00 0.00 176.35 174.63 4req s LEU 138 N 1.08 4.48 -0.32 -0.68 1.02 -0.73 -1.62 118.68 121.90 4req s LEU 138 Ca 0.20 1.08 -0.12 0.00 0.02 0.00 0.00 54.13 55.31 4req s LEU 138 Cb -0.16 -2.73 -0.02 0.00 0.02 0.00 0.00 46.19 43.29 4req s LEU 138 CO -0.03 0.27 0.22 -0.60 0.02 0.00 0.00 176.35 176.23 4req s ARG 139 N -0.92 3.59 -0.34 1.70 3.52 -0.63 -1.86 118.95 124.01 4req s ARG 139 Ca 0.26 -0.57 -0.09 0.00 -0.13 0.00 0.00 55.73 55.20 4req s ARG 139 Cb -0.18 -3.75 0.02 0.00 -1.56 0.00 0.00 34.95 29.48 4req s ARG 139 CO 0.16 -0.38 0.16 0.08 -0.81 0.00 0.00 175.30 174.51 4req s VAL 140 N 1.72 4.35 0.29 7.11 1.01 0.15 -1.66 120.40 133.38 4req s VAL 140 Ca 0.06 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 4req s VAL 140 Cb -0.17 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.92 4req s VAL 140 CO 0.10 -0.11 0.91 -1.81 0.00 0.00 0.00 175.10 174.20 4req s ASP 141 N 1.53 0.02 0.16 3.32 1.01 -0.69 -4.33 116.67 117.68 4req s ASP 141 Ca 0.02 -0.95 -0.16 0.00 0.71 0.00 0.00 52.55 52.18 4req s ASP 141 Cb -0.18 0.69 0.03 0.00 1.01 0.00 0.00 42.92 44.46 4req s ASP 141 CO 0.05 -1.37 1.81 1.55 0.21 0.00 0.00 175.17 177.42 4req h PRO 142 N 2.00 0.50 -0.64 8.23 0.13 -1.94 -2.85 132.00 137.43 4req h PRO 142 Ca -0.30 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 4req h PRO 142 Cb 1.23 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.25 4req h PRO 142 CO 0.39 0.33 0.00 -0.40 -0.23 0.00 0.00 178.00 178.10 4req n ASP 143 N -4.83 3.38 0.00 1.44 5.75 -1.26 -4.90 116.55 116.14 4req n ASP 143 Ca 0.01 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 4req n ASP 143 Cb 0.04 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 4req n ASP 143 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4req n ALA 144 N 0.55 0.00 -2.70 2.12 0.00 -1.07 -4.51 120.51 114.89 4req n ALA 144 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 4req n ALA 144 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 4req n ALA 144 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 4req s ILE 145 N 3.83 5.03 0.40 0.00 1.01 -0.66 -3.60 121.20 127.20 4req s ILE 145 Ca 0.00 1.41 -0.25 0.00 0.00 0.00 0.00 60.65 61.81 4req s ILE 145 Cb 0.00 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 4req s ILE 145 CO 0.00 0.21 1.16 0.00 0.00 0.00 0.00 174.94 176.30 4req s ALA 146 N 1.12 3.15 0.59 9.38 0.00 -1.26 -1.70 121.76 133.04 4req s ALA 146 Ca 0.36 0.94 0.28 0.00 0.00 0.00 0.00 51.96 53.54 4req s ALA 146 Cb -0.17 -3.37 1.69 0.00 0.00 0.00 0.00 23.12 21.27 4req s ALA 146 CO 0.16 -0.49 2.15 -1.35 0.00 0.00 0.00 175.76 176.23 4req h PRO 147 N 2.65 0.00 0.00 0.00 0.11 -1.93 -1.26 132.00 131.57 4req h PRO 147 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 4req h PRO 147 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 4req h PRO 147 CO 0.63 0.00 -0.22 1.05 -0.21 0.00 0.00 178.00 179.24 4req h GLU 148 N 0.00 0.00 0.00 1.05 9.09 -1.97 -3.30 114.58 119.45 4req h GLU 148 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 4req h GLU 148 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 4req h GLU 148 CO -0.00 0.00 -0.80 0.72 0.05 0.00 0.00 179.01 178.98 4req n HIS 149 N -3.00 0.10 -0.19 2.06 8.25 -0.49 -4.52 115.22 117.43 4req n HIS 149 Ca 0.03 0.03 0.01 0.00 -0.26 0.00 0.00 57.72 57.53 4req n HIS 149 Cb 0.53 -0.26 0.10 0.00 1.12 0.00 0.00 29.99 31.48 4req n HIS 149 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 4req h LEU 150 N 0.00 -0.13 -0.55 2.41 5.85 -1.62 -2.07 115.31 119.21 4req h LEU 150 Ca 0.00 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 4req h LEU 150 Cb 0.58 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 4req h LEU 150 CO 0.00 -0.05 0.19 -0.78 -0.34 0.00 0.00 178.44 177.46 4req h ASP 151 N 0.18 0.80 0.26 1.25 3.58 -1.85 -2.21 116.42 118.43 4req h ASP 151 Ca 0.31 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 4req h ASP 151 Cb 0.48 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.33 4req h ASP 151 CO -0.45 0.78 -0.12 -0.08 -2.88 0.00 0.00 179.24 176.48 4req h GLU 152 N 0.77 -0.34 0.00 0.28 4.81 -1.71 -2.72 114.58 115.68 4req h GLU 152 Ca 0.18 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 4req h GLU 152 Cb 0.26 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 4req h GLU 152 CO -0.01 -0.17 -0.24 -0.39 -0.73 0.00 0.00 179.01 177.47 4req h VAL 153 N -0.42 1.03 -0.46 0.32 -1.51 -1.38 -2.80 116.25 111.03 4req h VAL 153 Ca -0.04 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 4req h VAL 153 Cb 0.32 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 4req h VAL 153 CO 0.06 0.24 0.00 0.18 -1.23 0.00 0.00 177.57 176.81 4req n LEU 154 N -4.04 3.02 -0.19 4.19 4.77 -0.84 -4.39 117.00 119.52 4req n LEU 154 Ca -0.02 -1.52 -0.03 0.00 -0.03 0.00 0.00 56.01 54.41 4req n LEU 154 Cb 0.31 -0.41 0.17 0.00 -2.33 0.00 0.00 43.42 41.16 4req n LEU 154 CO 0.36 0.61 1.05 -1.28 -1.33 0.00 0.00 177.39 176.79 4req h SER 155 N 2.77 0.88 0.43 -1.43 0.87 -1.20 -3.02 113.55 112.86 4req h SER 155 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 4req h SER 155 Cb 0.88 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 4req h SER 155 CO 0.09 0.79 -0.39 0.47 -0.53 0.00 0.00 176.83 177.27 4req n ASP 156 N -4.30 0.64 -4.58 6.23 8.00 -1.26 -4.87 116.55 116.41 4req n ASP 156 Ca 0.06 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 4req n ASP 156 Cb 0.18 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 4req n ASP 156 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 4req s VAL 157 N -2.82 3.68 -0.42 2.53 1.01 -1.14 -4.96 120.40 118.28 4req s VAL 157 Ca 0.16 0.62 -0.27 0.00 0.00 0.00 0.00 61.98 62.49 4req s VAL 157 Cb 0.18 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 4req s VAL 157 CO 0.63 -0.87 1.98 -0.76 0.00 0.00 0.00 175.10 176.08 4req s LEU 158 N 6.56 3.42 0.38 3.92 1.43 -1.26 -4.84 118.68 128.29 4req s LEU 158 Ca 0.63 1.08 0.27 0.00 -1.03 0.00 0.00 54.13 55.08 4req s LEU 158 Cb -0.14 -3.07 1.30 0.00 0.03 0.00 0.00 46.19 44.31 4req s LEU 158 CO 0.28 -2.13 1.83 -0.07 0.23 0.00 0.00 176.35 176.49 4req h LEU 159 N 15.64 0.00 0.09 1.79 3.38 -1.93 -0.80 115.31 133.48 4req h LEU 159 Ca -0.31 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.39 4req h LEU 159 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 4req h LEU 159 CO 1.09 0.00 -1.32 1.05 0.09 0.00 0.00 178.44 179.36 4req h GLU 160 N 0.00 0.20 0.11 1.13 9.09 -1.88 -3.35 114.58 119.88 4req h GLU 160 Ca 0.00 -0.34 -0.35 0.00 0.05 0.00 0.00 59.36 58.72 4req h GLU 160 Cb 0.22 0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 27.42 4req h GLU 160 CO 0.00 1.10 -1.90 0.52 0.05 0.00 0.00 179.01 178.79 4req h MET 161 N 0.05 0.23 -5.02 1.06 2.86 -1.81 -3.46 114.93 108.85 4req h MET 161 Ca -0.16 -0.39 -0.66 0.00 -2.06 0.00 0.00 59.70 56.43 4req h MET 161 Cb 1.95 0.15 -0.30 0.00 0.06 0.00 0.00 31.60 33.46 4req h MET 161 CO 0.17 1.09 -0.76 0.99 1.06 0.00 0.00 176.91 179.46 4req s THR 162 N -2.57 3.04 0.51 2.22 2.01 -0.33 -5.04 115.64 115.48 4req s THR 162 Ca -0.18 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 4req s THR 162 Cb 0.07 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 70.15 4req s THR 162 CO 0.79 0.45 1.13 -0.75 -0.69 0.00 0.00 174.62 175.56 4req s LYS 163 N 1.42 3.52 -0.02 4.92 2.20 -1.26 -4.57 119.74 125.94 4req s LYS 163 Ca 0.05 1.65 0.01 0.00 -0.36 0.00 0.00 55.97 57.32 4req s LYS 163 Cb -0.14 -2.14 0.01 0.00 -1.51 0.00 0.00 37.83 34.05 4req s LYS 163 CO -0.06 -0.72 -0.03 0.08 -0.36 0.00 0.00 175.35 174.26 4req s VAL 164 N -1.71 0.35 0.03 4.02 1.01 -1.25 -2.66 120.40 120.19 4req s VAL 164 Ca 0.69 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.66 4req s VAL 164 Cb -0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 4req s VAL 164 CO 0.29 0.15 -0.21 -0.70 0.00 0.00 0.00 175.10 174.63 4req s GLU 165 N 0.56 1.51 0.23 2.72 2.12 -0.43 -1.46 118.70 123.95 4req s GLU 165 Ca -0.06 -0.90 0.09 0.00 0.36 0.00 0.00 54.97 54.45 4req s GLU 165 Cb -0.10 -1.58 -0.05 0.00 0.26 0.00 0.00 34.13 32.66 4req s GLU 165 CO -0.01 0.41 -0.15 0.14 -0.54 0.00 0.00 175.26 175.12 4req s VAL 166 N -0.71 1.91 0.01 3.70 -7.23 -1.14 -1.77 120.40 115.16 4req s VAL 166 Ca 0.08 -2.25 -0.27 0.00 -1.81 0.00 0.00 61.98 57.72 4req s VAL 166 Cb -0.09 -2.14 0.07 0.00 0.56 0.00 0.00 36.38 34.78 4req s VAL 166 CO 0.01 -0.53 0.62 0.72 -0.31 0.00 0.00 175.10 175.62 4req s PHE 167 N -2.87 -0.58 -0.01 2.82 -0.71 -0.78 -3.78 117.98 112.08 4req s PHE 167 Ca 0.25 0.83 -0.12 0.00 -1.04 0.00 0.00 56.93 56.84 4req s PHE 167 Cb -0.01 0.42 0.02 0.00 -1.21 0.00 0.00 43.02 42.23 4req s PHE 167 CO 0.09 -0.65 0.25 0.45 -1.34 0.00 0.00 175.22 174.02 4req s SER 168 N -1.64 -0.12 -0.02 1.98 0.15 -1.26 -0.68 113.70 112.11 4req s SER 168 Ca -0.08 -0.02 0.18 0.00 0.70 0.00 0.00 55.95 56.74 4req s SER 168 Cb -0.01 0.28 -0.28 0.00 -1.71 0.00 0.00 66.02 64.30 4req s SER 168 CO 0.03 -0.43 0.43 0.54 1.20 0.00 0.00 173.24 175.01 4req n ARG 169 N 1.31 0.59 0.00 5.44 1.74 -1.26 -4.63 116.66 119.84 4req n ARG 169 Ca -0.22 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 4req n ARG 169 Cb 0.56 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 4req n ARG 169 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 4req n TYR 170 N -2.09 0.00 0.00 -1.55 4.02 -1.26 -4.85 117.16 111.43 4req n TYR 170 Ca -0.03 -0.31 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 4req n TYR 170 Cb 0.47 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 4req n TYR 170 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 4req n ASP 171 N -0.31 0.00 -0.02 7.72 -0.08 -1.26 -5.00 116.55 117.60 4req n ASP 171 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 4req n ASP 171 Cb 0.17 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.59 4req n ASP 171 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 4req h GLN 172 N 0.00 0.20 0.18 -0.67 4.20 -1.92 -2.51 115.11 114.60 4req h GLN 172 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 4req h GLN 172 Cb 0.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 4req h GLN 172 CO 0.00 0.15 -0.14 0.78 -0.67 0.00 0.00 178.83 178.95 4req h GLY 173 N 0.19 -0.33 0.21 3.46 0.00 -1.97 0.26 103.07 104.89 4req h GLY 173 Ca 0.05 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.57 4req h GLY 173 CO -0.01 -0.14 -0.40 0.00 0.00 0.00 0.00 176.54 175.99 4req h ALA 174 N 0.46 -0.64 -0.31 3.60 0.00 -1.95 0.91 119.26 121.33 4req h ALA 174 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 4req h ALA 174 Cb 0.30 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 4req h ALA 174 CO -0.01 -0.93 0.13 0.00 0.00 0.00 0.00 179.25 178.44 4req h ALA 175 N 0.01 0.37 -0.71 0.00 0.00 -1.31 0.18 119.26 117.80 4req h ALA 175 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 175 Cb 0.64 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 4req h ALA 175 CO -0.29 -0.26 0.46 0.00 0.00 0.00 0.00 179.25 179.16 4req h ALA 176 N 1.18 0.91 -0.44 0.00 0.00 -0.13 -1.64 119.26 119.15 4req h ALA 176 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 4req h ALA 176 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 4req h ALA 176 CO -0.12 0.29 -0.16 1.49 0.00 0.00 0.00 179.25 180.75 4req h GLU 177 N 0.94 0.88 -0.64 0.00 4.57 -0.56 -2.41 114.58 117.35 4req h GLU 177 Ca 0.27 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 58.03 4req h GLU 177 Cb -0.07 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 4req h GLU 177 CO -0.07 1.01 0.18 0.00 -1.18 0.00 0.00 179.01 178.94 4req h ALA 178 N 0.85 1.11 -0.28 2.92 0.00 -0.70 0.18 119.26 123.34 4req h ALA 178 Ca 0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 4req h ALA 178 Cb 0.72 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 4req h ALA 178 CO 0.05 0.60 -0.33 1.25 0.00 0.00 0.00 179.25 180.83 4req h LEU 179 N 0.95 0.77 -0.47 0.00 5.85 -1.27 -2.93 115.31 118.20 4req h LEU 179 Ca 0.21 -0.49 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 4req h LEU 179 Cb 0.31 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 4req h LEU 179 CO -0.00 1.10 -0.44 -0.37 -0.34 0.00 0.00 178.44 178.39 4req h VAL 180 N 0.45 1.29 -0.11 1.05 -1.51 -1.24 -2.35 116.25 113.83 4req h VAL 180 Ca 0.04 -1.63 0.02 0.00 -1.23 0.00 0.00 66.70 63.89 4req h VAL 180 Cb 0.91 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 31.57 4req h VAL 180 CO 0.08 0.53 -0.27 0.28 -1.23 0.00 0.00 177.57 176.96 4req h SER 181 N 0.62 -0.86 -0.77 4.19 0.02 -0.61 0.18 113.55 116.30 4req h SER 181 Ca 0.04 0.11 0.16 0.00 -0.84 0.00 0.00 61.79 61.25 4req h SER 181 Cb 1.01 0.34 -0.10 0.00 0.14 0.00 0.00 62.40 63.79 4req h SER 181 CO 0.10 -0.22 0.28 0.58 -1.14 0.00 0.00 176.83 176.43 4req h VAL 182 N -0.25 0.59 -0.50 2.27 2.07 -1.49 -0.50 116.25 118.43 4req h VAL 182 Ca 0.02 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 4req h VAL 182 Cb 0.32 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 4req h VAL 182 CO -0.24 0.07 -0.03 1.88 0.02 0.00 0.00 177.57 179.28 4req h TYR 183 N 0.39 0.99 -0.16 1.57 -1.99 -0.88 -3.10 116.97 113.79 4req h TYR 183 Ca 0.44 -0.18 -0.11 0.00 2.00 0.00 0.00 58.73 60.88 4req h TYR 183 Cb 0.72 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 4req h TYR 183 CO -0.19 0.93 -0.38 0.93 -0.00 0.00 0.00 178.16 179.46 4req h GLU 184 N 0.76 0.34 -0.08 4.88 5.08 0.01 -3.18 114.58 122.39 4req h GLU 184 Ca 0.14 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 4req h GLU 184 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 4req h GLU 184 CO 0.03 0.67 0.00 -2.13 -1.00 0.00 0.00 179.01 176.58 4req n ARG 185 N -4.05 1.33 -3.82 2.33 0.63 -0.26 -4.90 116.66 107.93 4req n ARG 185 Ca -0.01 -0.50 -0.33 0.00 -0.92 0.00 0.00 57.85 56.09 4req n ARG 185 Cb 0.47 -1.33 -0.05 0.00 0.45 0.00 0.00 32.46 32.00 4req n ARG 185 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 4req s SER 186 N -1.55 6.43 -1.09 6.15 0.15 -1.17 -5.01 113.70 117.60 4req s SER 186 Ca 0.29 0.44 -0.04 0.00 0.70 0.00 0.00 55.95 57.33 4req s SER 186 Cb 0.14 -2.03 0.30 0.00 -1.71 0.00 0.00 66.02 62.73 4req s SER 186 CO 0.23 0.19 1.49 -0.90 1.20 0.00 0.00 173.24 175.44 4req n ASP 187 N 0.60 6.37 -3.71 5.45 5.68 -1.26 -4.85 116.55 124.83 4req n ASP 187 Ca -0.07 -3.40 -0.11 0.00 -0.50 0.00 0.00 54.79 50.71 4req n ASP 187 Cb 0.52 -1.28 -0.11 0.00 -1.14 0.00 0.00 41.12 39.11 4req n ASP 187 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 4req s LYS 188 N -2.66 0.42 -0.30 0.11 0.00 -1.26 -5.11 119.74 110.95 4req s LYS 188 Ca 0.31 0.70 -0.38 0.00 0.00 0.00 0.00 55.97 56.60 4req s LYS 188 Cb 0.05 0.07 -0.14 0.00 0.00 0.00 0.00 37.83 37.81 4req s LYS 188 CO 0.10 -0.12 1.93 -2.30 0.00 0.00 0.00 175.35 174.96 4req n PRO 189 N 3.73 1.16 -0.28 1.78 -0.02 -1.26 -4.87 135.00 135.24 4req n PRO 189 Ca -0.20 0.39 -0.01 0.00 -2.02 0.00 0.00 63.50 61.66 4req n PRO 189 Cb 0.56 -2.23 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 4req n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 4req n ALA 190 N 7.07 -0.12 0.11 3.55 0.00 -1.26 -1.71 120.51 128.14 4req n ALA 190 Ca 0.33 0.71 0.01 0.00 0.00 0.00 0.00 53.44 54.49 4req n ALA 190 Cb 0.17 -0.30 0.06 0.00 0.00 0.00 0.00 19.45 19.37 4req n ALA 190 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 4req n LYS 191 N -5.05 0.03 -0.04 0.00 3.00 -1.21 -2.27 118.16 112.63 4req n LYS 191 Ca 0.07 0.26 -0.01 0.00 -0.00 0.00 0.00 58.31 58.63 4req n LYS 191 Cb 0.28 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.67 4req n LYS 191 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 4req n ASP 192 N -1.28 0.26 -4.72 3.14 8.00 -0.69 -3.79 116.55 117.47 4req n ASP 192 Ca 0.01 0.11 -0.39 0.00 0.71 0.00 0.00 54.79 55.24 4req n ASP 192 Cb 0.02 1.03 -0.05 0.00 -0.02 0.00 0.00 41.12 42.10 4req n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 4req s LEU 193 N -5.30 4.30 -0.08 0.64 1.43 -0.96 -4.65 118.68 114.06 4req s LEU 193 Ca -0.07 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 54.05 4req s LEU 193 Cb 0.09 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 4req s LEU 193 CO 0.85 -0.05 -0.24 0.00 0.23 0.00 0.00 176.35 177.14 4req s ALA 194 N 0.68 2.20 0.00 4.21 0.00 -1.26 -2.04 121.76 125.56 4req s ALA 194 Ca 0.31 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 4req s ALA 194 Cb -0.16 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 4req s ALA 194 CO 0.14 0.36 0.11 -0.48 0.00 0.00 0.00 175.76 175.89 4req s LEU 195 N 0.04 1.65 -0.20 0.00 2.34 -1.26 -3.78 118.68 117.47 4req s LEU 195 Ca -0.10 -0.24 -0.05 0.00 0.06 0.00 0.00 54.13 53.80 4req s LEU 195 Cb -0.15 0.59 -0.02 0.00 -0.56 0.00 0.00 46.19 46.04 4req s LEU 195 CO 0.06 -0.36 -0.00 0.20 -1.06 0.00 0.00 176.35 175.19 4req s ASN 196 N -1.38 4.82 0.05 1.48 -0.87 -0.54 -1.88 114.94 116.62 4req s ASN 196 Ca -0.15 -0.21 -0.18 0.00 -1.57 0.00 0.00 52.86 50.76 4req s ASN 196 Cb -0.08 -1.82 -0.16 0.00 -0.02 0.00 0.00 41.25 39.17 4req s ASN 196 CO 0.01 0.06 1.27 -0.07 -2.57 0.00 0.00 177.10 175.80 4req h LEU 197 N 7.51 0.57 0.00 0.60 3.38 -0.73 -3.02 115.31 123.61 4req h LEU 197 Ca -0.36 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.02 4req h LEU 197 Cb 1.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.76 4req h LEU 197 CO 0.61 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.81 4req n GLY 198 N 0.54 1.00 3.73 0.83 0.00 -1.10 -4.37 105.19 105.82 4req n GLY 198 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 4req n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4req s LEU 199 N 0.00 4.38 -0.48 0.99 2.01 0.73 -4.57 118.68 121.75 4req s LEU 199 Ca 0.00 2.54 0.05 0.00 0.01 0.00 0.00 54.13 56.73 4req s LEU 199 Cb 0.00 -3.61 0.23 0.00 0.01 0.00 0.00 46.19 42.82 4req s LEU 199 CO 0.00 -0.69 0.89 -0.67 1.01 0.00 0.00 176.35 176.90 4req n ASP 200 N 3.08 -2.84 -0.26 2.29 2.03 -1.26 -1.89 116.55 117.70 4req n ASP 200 Ca 0.09 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.40 4req n ASP 200 Cb 0.41 1.68 0.13 0.00 -0.72 0.00 0.00 41.12 42.61 4req n ASP 200 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 4req h PRO 201 N 4.16 0.71 0.03 -0.67 0.11 -1.92 -0.96 132.00 133.46 4req h PRO 201 Ca -0.10 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 4req h PRO 201 Cb 1.07 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.02 4req h PRO 201 CO 0.19 0.47 -0.02 0.82 -0.21 0.00 0.00 178.00 179.26 4req h ILE 202 N 0.73 1.17 -0.73 4.15 2.04 -1.94 -1.93 117.51 121.00 4req h ILE 202 Ca 0.34 -0.65 0.16 0.00 1.00 0.00 0.00 64.86 65.71 4req h ILE 202 Cb 0.26 1.60 -0.11 0.00 -0.74 0.00 0.00 36.82 37.83 4req h ILE 202 CO -0.21 0.17 0.18 1.23 0.00 0.00 0.00 178.15 179.51 4req h GLY 203 N -0.33 1.01 0.98 5.37 0.00 -1.86 0.30 103.07 108.53 4req h GLY 203 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 4req h GLY 203 CO 0.01 -0.19 0.16 -2.75 0.00 0.00 0.00 176.54 173.76 4req h PHE 204 N 0.27 0.34 0.16 5.60 3.57 -1.15 0.14 116.94 125.86 4req h PHE 204 Ca 0.41 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 4req h PHE 204 Cb 0.69 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.32 4req h PHE 204 CO -0.26 0.25 -0.08 0.00 -2.23 0.00 0.00 178.31 175.99 4req h ALA 205 N 1.06 -0.22 -0.53 2.41 0.00 -0.47 0.18 119.26 121.68 4req h ALA 205 Ca 0.09 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.96 4req h ALA 205 Cb 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 4req h ALA 205 CO -0.02 -0.56 0.23 0.00 0.00 0.00 0.00 179.25 178.91 4req h ALA 206 N 0.47 0.68 0.00 0.00 0.00 -0.30 0.56 119.26 120.66 4req h ALA 206 Ca -0.02 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 4req h ALA 206 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 4req h ALA 206 CO 0.04 -0.14 -0.29 -0.07 0.00 0.00 0.00 179.25 178.79 4req h LEU 207 N 0.45 0.00 0.00 0.00 3.38 -0.46 -2.61 115.31 116.07 4req h LEU 207 Ca 0.25 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 4req h LEU 207 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 4req h LEU 207 CO -0.21 0.29 -1.80 0.00 0.09 0.00 0.00 178.44 176.81 4req n GLN 208 N -3.75 1.02 -0.02 1.13 1.13 0.60 -3.34 117.38 114.15 4req n GLN 208 Ca -0.01 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 4req n GLN 208 Cb 0.39 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.38 4req n GLN 208 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 4req n GLY 209 N 1.87 0.29 3.73 1.08 0.00 0.19 -3.07 105.19 109.28 4req n GLY 209 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 4req n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4req s THR 210 N -2.08 1.84 -0.16 2.61 -4.23 -1.22 -4.98 115.64 107.42 4req s THR 210 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 4req s THR 210 Cb 0.00 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 4req s THR 210 CO 0.00 0.00 0.27 -1.61 -0.54 0.00 0.00 174.62 172.74 4req s GLU 211 N -5.43 4.20 -0.24 3.99 2.02 -1.26 -4.64 118.70 117.34 4req s GLU 211 Ca 0.69 0.05 -0.36 0.00 0.02 0.00 0.00 54.97 55.38 4req s GLU 211 Cb -0.11 -3.41 -0.12 0.00 0.10 0.00 0.00 34.13 30.59 4req s GLU 211 CO 0.55 0.28 1.98 -2.30 0.02 0.00 0.00 175.26 175.79 4req n PRO 212 N 3.44 1.50 -3.58 0.39 -0.02 -1.26 -4.93 135.00 130.54 4req n PRO 212 Ca -0.13 0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 4req n PRO 212 Cb 0.52 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 4req n PRO 212 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 4req s ASP 213 N 5.34 5.76 0.00 2.55 -1.08 -1.26 -4.92 116.67 123.05 4req s ASP 213 Ca 1.01 -2.80 0.23 0.00 -0.52 0.00 0.00 52.55 50.47 4req s ASP 213 Cb -0.84 -1.98 0.83 0.00 -1.46 0.00 0.00 42.92 39.48 4req s ASP 213 CO 0.54 -0.44 1.60 0.18 0.52 0.00 0.00 175.17 177.57 4req n LEU 214 N 3.65 1.64 0.09 -1.34 4.32 -1.26 -4.44 117.00 119.66 4req n LEU 214 Ca 0.10 -0.65 0.12 0.00 -0.02 0.00 0.00 56.01 55.56 4req n LEU 214 Cb 0.41 -0.08 0.45 0.00 -1.62 0.00 0.00 43.42 42.59 4req n LEU 214 CO 0.34 0.32 0.86 0.35 -1.22 0.00 0.00 177.39 178.04 4req n THR 215 N 0.29 0.69 1.15 -5.08 -2.24 -1.26 -3.37 114.28 104.48 4req n THR 215 Ca 0.17 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 4req n THR 215 Cb 0.34 -0.89 0.28 0.00 -2.10 0.00 0.00 70.33 67.96 4req n THR 215 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 4req n VAL 216 N -2.09 0.00 0.00 2.28 0.31 -1.26 -4.47 118.33 113.10 4req n VAL 216 Ca 0.04 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.14 4req n VAL 216 Cb 0.30 0.51 -0.06 0.00 -0.91 0.00 0.00 33.84 33.68 4req n VAL 216 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 4req h LEU 217 N 1.07 -1.26 -0.94 7.52 3.38 -1.89 -2.18 115.31 121.01 4req h LEU 217 Ca 0.00 0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.23 4req h LEU 217 Cb 0.54 0.52 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 4req h LEU 217 CO 0.00 -0.42 0.58 1.23 0.09 0.00 0.00 178.44 179.92 4req h GLY 218 N -0.48 1.48 -0.06 0.83 0.00 -1.85 -1.36 103.07 101.64 4req h GLY 218 Ca 0.08 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.02 4req h GLY 218 CO -0.39 0.20 -0.28 1.29 0.00 0.00 0.00 176.54 177.37 4req h ASP 219 N 0.98 -0.87 -0.71 0.19 3.04 -1.67 -1.59 116.42 115.79 4req h ASP 219 Ca 0.44 0.10 0.12 0.00 -3.24 0.00 0.00 57.03 54.46 4req h ASP 219 Cb 0.34 0.34 -0.09 0.00 -1.04 0.00 0.00 39.33 38.89 4req h ASP 219 CO -0.23 -0.25 0.28 -0.50 -2.04 0.00 0.00 179.24 176.50 4req h TRP 220 N -0.30 0.48 -0.38 4.15 -0.00 -1.23 0.05 115.95 118.73 4req h TRP 220 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 4req h TRP 220 Cb 0.35 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.38 4req h TRP 220 CO -0.51 0.09 0.25 0.28 -0.00 0.00 0.00 178.44 178.55 4req h VAL 221 N 0.45 1.09 -0.60 1.49 2.07 -1.02 -2.51 116.25 117.22 4req h VAL 221 Ca 0.37 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.64 4req h VAL 221 Cb 0.52 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 4req h VAL 221 CO -0.36 0.09 0.04 0.03 0.02 0.00 0.00 177.57 177.39 4req h ARG 222 N 0.50 1.04 -0.77 1.57 3.08 -0.48 -3.03 114.38 116.29 4req h ARG 222 Ca 0.14 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 59.92 4req h ARG 222 Cb -0.05 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 4req h ARG 222 CO -0.03 1.00 0.51 -0.09 -1.07 0.00 0.00 179.97 180.28 4req h ARG 223 N 0.94 0.91 -0.18 0.04 9.65 -0.84 -2.72 114.38 122.18 4req h ARG 223 Ca 0.18 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 4req h ARG 223 Cb 0.51 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 4req h ARG 223 CO 0.02 0.60 0.00 -0.11 2.80 0.00 0.00 179.97 183.28 4req n LEU 224 N -4.45 1.69 0.18 3.80 7.94 -0.96 -4.29 117.00 120.90 4req n LEU 224 Ca 0.10 -0.72 0.04 0.00 -1.11 0.00 0.00 56.01 54.32 4req n LEU 224 Cb 0.13 -0.12 0.31 0.00 0.53 0.00 0.00 43.42 44.27 4req n LEU 224 CO 0.35 0.36 0.64 0.00 -1.11 0.00 0.00 177.39 177.63 4req h ALA 225 N 4.02 1.05 0.41 1.96 0.00 -1.36 -3.20 119.26 122.14 4req h ALA 225 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 4req h ALA 225 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 4req h ALA 225 CO 0.00 0.54 -0.46 0.87 0.00 0.00 0.00 179.25 180.20 4req h LYS 226 N 0.00 -0.85 -7.00 0.00 1.57 -1.79 -3.44 116.57 105.05 4req h LYS 226 Ca -0.00 0.06 -0.47 0.00 -1.87 0.00 0.00 60.65 58.36 4req h LYS 226 Cb 0.90 0.19 0.22 0.00 0.08 0.00 0.00 32.23 33.62 4req h LYS 226 CO 0.06 -0.57 -0.29 1.19 -0.57 0.00 0.00 179.45 179.27 4req n PHE 227 N -5.20 -0.93 -0.88 -1.35 3.72 -1.21 -3.30 117.46 108.30 4req n PHE 227 Ca -0.10 0.06 -0.34 0.00 -0.05 0.00 0.00 57.45 57.02 4req n PHE 227 Cb 0.41 -1.73 0.09 0.00 -0.94 0.00 0.00 39.48 37.31 4req n PHE 227 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 4req n SER 228 N -3.63 -3.59 0.00 4.37 2.88 -0.86 -4.66 113.62 108.13 4req n SER 228 Ca 0.05 0.28 0.15 0.00 -1.33 0.00 0.00 58.87 58.01 4req n SER 228 Cb 0.55 -1.04 0.81 0.00 -0.75 0.00 0.00 64.21 63.79 4req n SER 228 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 4req n PRO 229 N -0.07 0.66 0.06 -1.46 -0.04 -1.26 -2.77 135.00 130.12 4req n PRO 229 Ca 0.03 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 4req n PRO 229 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 4req n PRO 229 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 4req n ASP 230 N -1.15 0.70 -4.76 3.54 8.00 -1.26 -4.90 116.55 116.72 4req n ASP 230 Ca 0.18 0.29 -0.41 0.00 0.71 0.00 0.00 54.79 55.55 4req n ASP 230 Cb 0.17 0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 41.85 4req n ASP 230 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 4req s SER 231 N -5.37 6.65 0.08 -2.24 0.01 -1.11 -4.81 113.70 106.90 4req s SER 231 Ca -0.03 2.73 0.07 0.00 1.31 0.00 0.00 55.95 60.03 4req s SER 231 Cb 0.10 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 4req s SER 231 CO 0.81 -0.67 -0.18 -0.13 0.41 0.00 0.00 173.24 173.49 4req s ARG 232 N -1.09 1.01 -0.17 12.44 1.81 -0.79 -4.74 118.95 127.42 4req s ARG 232 Ca 0.55 -1.03 0.12 0.00 -1.72 0.00 0.00 55.73 53.65 4req s ARG 232 Cb -0.42 -1.14 -0.19 0.00 -0.45 0.00 0.00 34.95 32.75 4req s ARG 232 CO 0.49 0.27 0.01 0.00 -0.68 0.00 0.00 175.30 175.39 4req n ALA 233 N 1.30 1.58 -2.74 2.13 0.00 -0.58 -0.17 120.51 122.03 4req n ALA 233 Ca -0.20 -1.05 -0.34 0.00 0.00 0.00 0.00 53.44 51.86 4req n ALA 233 Cb 0.54 -0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 4req n ALA 233 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 4req s VAL 234 N -2.40 3.61 -0.29 0.00 1.01 -0.69 -0.19 120.40 121.44 4req s VAL 234 Ca -0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 4req s VAL 234 Cb 0.05 -2.50 0.09 0.00 0.00 0.00 0.00 36.38 34.02 4req s VAL 234 CO 0.64 0.56 0.08 -0.89 0.00 0.00 0.00 175.10 175.49 4req s THR 235 N -0.33 0.78 -0.01 3.92 2.01 -0.79 0.05 115.64 121.27 4req s THR 235 Ca 0.05 -1.21 -0.30 0.00 0.31 0.00 0.00 61.69 60.54 4req s THR 235 Cb -0.13 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 4req s THR 235 CO 0.02 -0.58 1.59 -0.63 -0.69 0.00 0.00 174.62 174.34 4req s ILE 236 N 1.68 3.45 -0.89 1.82 1.01 0.84 -4.49 121.20 124.62 4req s ILE 236 Ca 0.07 0.73 -0.17 0.00 0.00 0.00 0.00 60.65 61.29 4req s ILE 236 Cb -0.17 -3.47 0.16 0.00 0.01 0.00 0.00 42.46 38.99 4req s ILE 236 CO -0.22 -0.03 0.99 -0.62 0.00 0.00 0.00 174.94 175.05 4req s ASP 237 N 2.70 6.67 0.24 3.58 -1.08 -1.26 -0.44 116.67 127.08 4req s ASP 237 Ca 0.71 -2.28 0.25 0.00 -0.52 0.00 0.00 52.55 50.72 4req s ASP 237 Cb -0.35 -2.33 0.89 0.00 -1.46 0.00 0.00 42.92 39.68 4req s ASP 237 CO 0.29 -0.88 1.75 0.00 0.52 0.00 0.00 175.17 176.85 4req n ALA 238 N 5.59 2.00 0.28 3.66 0.00 -0.19 -3.11 120.51 128.73 4req n ALA 238 Ca 0.20 0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.82 4req n ALA 238 Cb 0.48 -1.43 0.48 0.00 0.00 0.00 0.00 19.45 18.98 4req n ALA 238 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 4req h ASN 239 N 0.00 0.00 0.08 0.00 -0.73 -1.89 -3.17 115.58 109.87 4req h ASN 239 Ca 0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 4req h ASN 239 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 4req h ASN 239 CO 0.00 0.00 -0.04 0.40 -0.37 0.00 0.00 177.43 177.42 4req h ILE 240 N 0.00 0.96 -0.29 2.57 2.04 -1.89 0.64 117.51 121.55 4req h ILE 240 Ca 0.00 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 4req h ILE 240 Cb 0.69 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 4req h ILE 240 CO 0.00 0.03 -0.48 1.88 0.00 0.00 0.00 178.15 179.59 4req h TYR 241 N -0.17 0.95 0.19 1.37 0.05 -1.77 -3.13 116.97 114.46 4req h TYR 241 Ca -0.01 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.46 4req h TYR 241 Cb 0.14 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 4req h TYR 241 CO -0.05 1.10 -0.20 1.25 -1.05 0.00 0.00 178.16 179.21 4req h HIS 242 N 0.61 -0.52 -0.12 4.88 2.76 -1.46 0.27 115.15 121.58 4req h HIS 242 Ca 0.03 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 4req h HIS 242 Cb 1.05 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 30.21 4req h HIS 242 CO 0.06 -0.30 0.15 -0.91 -1.30 0.00 0.00 177.93 175.64 4req h ASN 243 N -0.42 0.00 0.92 3.26 2.35 -0.87 -0.45 115.58 120.36 4req h ASN 243 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 4req h ASN 243 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 4req h ASN 243 CO -0.05 0.00 -0.36 0.00 -1.65 0.00 0.00 177.43 175.37 4req n ALA 244 N -2.27 2.84 0.00 -0.83 0.00 -1.05 -3.40 120.51 115.79 4req n ALA 244 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 4req n ALA 244 Cb 0.26 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.43 4req n ALA 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 245 N 1.40 1.10 3.80 0.00 0.00 -0.18 -4.89 105.19 106.41 4req n GLY 245 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 4req n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 246 N -2.00 2.80 0.45 4.61 0.00 0.04 -4.29 121.76 123.37 4req s ALA 246 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 4req s ALA 246 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 4req s ALA 246 CO 0.00 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.60 4req n GLY 247 N -0.62 1.06 0.09 0.00 0.00 -1.26 -4.51 105.19 99.94 4req n GLY 247 Ca 0.09 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 4req n GLY 247 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4req h ASP 248 N 0.00 0.16 0.38 1.61 3.32 -1.98 -3.18 116.42 116.73 4req h ASP 248 Ca 0.00 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 4req h ASP 248 Cb 0.00 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 4req h ASP 248 CO 0.00 0.66 -0.42 0.58 -1.72 0.00 0.00 179.24 178.34 4req h VAL 249 N -0.34 0.16 -0.37 -1.35 2.07 -1.92 -2.45 116.25 112.05 4req h VAL 249 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 4req h VAL 249 Cb 0.62 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 4req h VAL 249 CO 0.02 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.75 4req h ALA 250 N -0.47 0.43 -0.88 1.67 0.00 -1.94 0.09 119.26 118.16 4req h ALA 250 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 4req h ALA 250 Cb 0.75 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 4req h ALA 250 CO -0.09 -0.24 0.51 1.49 0.00 0.00 0.00 179.25 180.92 4req h GLU 251 N 0.31 1.20 0.25 0.00 4.81 -1.52 0.20 114.58 119.83 4req h GLU 251 Ca 0.16 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 4req h GLU 251 Cb 0.12 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.26 4req h GLU 251 CO -0.15 0.86 -0.12 1.25 -0.73 0.00 0.00 179.01 180.11 4req h LEU 252 N 1.21 -0.29 0.07 1.64 5.85 -1.25 -1.79 115.31 120.76 4req h LEU 252 Ca 0.31 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.83 4req h LEU 252 Cb -0.02 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 4req h LEU 252 CO -0.06 0.12 -0.33 0.00 -0.34 0.00 0.00 178.44 177.83 4req h ALA 253 N -0.17 -0.54 0.00 1.25 0.00 -0.87 -2.15 119.26 116.77 4req h ALA 253 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 4req h ALA 253 Cb 0.50 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.85 4req h ALA 253 CO 0.06 -0.87 0.00 0.91 0.00 0.00 0.00 179.25 179.35 4req n TRP 254 N -5.42 0.04 -0.05 0.00 8.01 0.05 -1.13 117.44 118.94 4req n TRP 254 Ca -0.06 0.02 -0.13 0.00 -1.31 0.00 0.00 57.50 56.01 4req n TRP 254 Cb 0.34 -0.53 -0.12 0.00 -2.01 0.00 0.00 31.31 28.99 4req n TRP 254 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 4req h ALA 255 N 2.45 -0.01 0.14 6.99 0.00 -0.69 -2.81 119.26 125.34 4req h ALA 255 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 4req h ALA 255 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 4req h ALA 255 CO 0.00 -0.06 -0.07 -0.07 0.00 0.00 0.00 179.25 179.05 4req h LEU 256 N -0.89 -0.16 -0.39 0.00 3.38 -1.00 -1.76 115.31 114.49 4req h LEU 256 Ca -0.00 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.99 4req h LEU 256 Cb 0.85 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 4req h LEU 256 CO 0.00 -0.07 -0.50 0.00 0.09 0.00 0.00 178.44 177.96 4req h ALA 257 N 0.61 -0.63 -0.80 1.53 0.00 -1.23 -0.66 119.26 118.09 4req h ALA 257 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 4req h ALA 257 Cb 0.19 1.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 4req h ALA 257 CO 0.03 -0.97 0.48 1.15 0.00 0.00 0.00 179.25 179.94 4req h THR 258 N -0.38 1.22 0.27 0.00 2.02 -1.44 -2.76 112.91 111.85 4req h THR 258 Ca 0.10 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 4req h THR 258 Cb 0.60 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 4req h THR 258 CO -0.58 0.23 -0.13 1.23 0.37 0.00 0.00 175.52 176.64 4req h GLY 259 N 1.12 -0.38 0.38 2.16 0.00 -0.35 -2.59 103.07 103.41 4req h GLY 259 Ca 0.29 0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.89 4req h GLY 259 CO -0.05 -0.14 0.54 0.00 0.00 0.00 0.00 176.54 176.88 4req h ALA 260 N 0.32 1.38 0.37 3.60 0.00 -1.03 0.52 119.26 124.42 4req h ALA 260 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 4req h ALA 260 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 4req h ALA 260 CO 0.06 0.08 -0.18 0.93 0.00 0.00 0.00 179.25 180.14 4req h GLU 261 N 0.82 -0.48 -0.08 0.00 4.39 -1.38 -2.57 114.58 115.27 4req h GLU 261 Ca 0.47 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.17 4req h GLU 261 Cb 0.54 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 4req h GLU 261 CO -0.30 -0.21 -0.09 1.88 -1.16 0.00 0.00 179.01 179.13 4req h TYR 262 N -0.69 0.12 0.33 4.33 0.05 -1.03 0.32 116.97 120.40 4req h TYR 262 Ca -0.05 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 4req h TYR 262 Cb 0.49 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.19 4req h TYR 262 CO -0.01 0.21 -0.16 0.28 -1.05 0.00 0.00 178.16 177.44 4req h VAL 263 N 0.12 0.33 -0.30 -2.88 2.07 -0.93 -1.15 116.25 113.51 4req h VAL 263 Ca 0.03 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.83 4req h VAL 263 Cb 0.23 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 4req h VAL 263 CO 0.01 0.08 -0.53 0.03 0.02 0.00 0.00 177.57 177.18 4req h ARG 264 N -1.03 -0.43 -0.27 1.57 3.08 -1.27 0.41 114.38 116.44 4req h ARG 264 Ca -0.05 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.09 4req h ARG 264 Cb 0.47 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.54 4req h ARG 264 CO 0.07 -0.29 -0.42 0.00 -1.07 0.00 0.00 179.97 178.27 4req h ALA 265 N -0.20 -0.50 -0.62 0.04 0.00 -0.45 -0.68 119.26 116.85 4req h ALA 265 Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 4req h ALA 265 Cb 0.60 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 4req h ALA 265 CO -0.51 -0.89 0.41 -0.07 0.00 0.00 0.00 179.25 178.19 4req h LEU 266 N -0.40 0.56 -0.64 0.00 3.38 -0.41 -2.28 115.31 115.53 4req h LEU 266 Ca 0.11 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 4req h LEU 266 Cb 0.60 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 4req h LEU 266 CO -0.49 0.37 -0.21 0.58 0.09 0.00 0.00 178.44 178.78 4req h VAL 267 N 0.65 1.27 0.95 1.22 2.07 -0.09 -2.85 116.25 119.47 4req h VAL 267 Ca 0.26 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 4req h VAL 267 Cb 0.22 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 4req h VAL 267 CO -0.08 0.45 -0.46 -0.33 0.02 0.00 0.00 177.57 177.18 4req h GLU 268 N 0.73 -1.23 -0.50 1.57 5.08 -0.60 -3.23 114.58 116.40 4req h GLU 268 Ca 0.10 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 4req h GLU 268 Cb 0.74 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.27 4req h GLU 268 CO 0.06 -0.82 0.00 1.04 -1.00 0.00 0.00 179.01 178.29 4req n GLN 269 N -5.48 0.00 -0.05 2.33 6.02 -0.98 -4.70 117.38 114.52 4req n GLN 269 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 4req n GLN 269 Cb 0.50 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.69 4req n GLN 269 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4req n GLY 270 N 0.58 1.73 3.85 1.08 0.00 -1.22 -4.97 105.19 106.25 4req n GLY 270 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 4req n GLY 270 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4req s PHE 271 N -2.66 3.51 1.16 1.61 0.40 -1.10 -4.99 117.98 115.91 4req s PHE 271 Ca 0.00 1.38 -0.18 0.00 -0.60 0.00 0.00 56.93 57.53 4req s PHE 271 Cb 0.00 -2.77 0.27 0.00 0.51 0.00 0.00 43.02 41.03 4req s PHE 271 CO 0.00 -0.58 1.11 0.99 0.70 0.00 0.00 175.22 177.44 4req s THR 272 N -2.91 1.69 -0.01 0.64 2.01 -1.26 -3.88 115.64 111.91 4req s THR 272 Ca 0.57 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.52 4req s THR 272 Cb -0.11 -2.51 -0.29 0.00 0.01 0.00 0.00 72.50 69.61 4req s THR 272 CO 0.44 0.00 0.80 0.00 -0.69 0.00 0.00 174.62 175.16 4req h ALA 273 N -2.43 0.24 -0.53 7.40 0.00 -1.92 -2.90 119.26 119.12 4req h ALA 273 Ca -0.47 -1.13 -0.03 0.00 0.00 0.00 0.00 54.91 53.29 4req h ALA 273 Cb 1.30 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 4req h ALA 273 CO 0.39 1.11 0.23 1.15 0.00 0.00 0.00 179.25 182.13 4req h THR 274 N 0.08 1.21 0.00 0.00 2.02 -1.88 -2.18 112.91 112.16 4req h THR 274 Ca -0.28 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 4req h THR 274 Cb 2.04 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 4req h THR 274 CO 0.17 0.24 -0.37 -0.33 0.37 0.00 0.00 175.52 175.60 4req h GLU 275 N 0.71 0.00 0.11 6.66 3.07 -1.94 -1.82 114.58 121.37 4req h GLU 275 Ca 0.18 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 4req h GLU 275 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 4req h GLU 275 CO -0.02 0.37 -0.05 0.00 -1.40 0.00 0.00 179.01 177.91 4req h ALA 276 N 1.63 -0.14 -0.39 3.43 0.00 -1.26 -3.24 119.26 119.28 4req h ALA 276 Ca -0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.75 4req h ALA 276 Cb 0.79 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 4req h ALA 276 CO 0.05 -0.37 0.13 0.74 0.00 0.00 0.00 179.25 179.80 4req h PHE 277 N -0.56 0.24 0.00 0.00 -1.00 -1.32 -2.72 116.94 111.57 4req h PHE 277 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.79 4req h PHE 277 Cb 0.45 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.96 4req h PHE 277 CO 0.06 0.09 0.00 -0.25 -1.61 0.00 0.00 178.31 176.60 4req n ASP 278 N -5.02 0.00 0.00 2.17 9.92 -0.69 -2.60 116.55 120.33 4req n ASP 278 Ca 0.02 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.73 4req n ASP 278 Cb 0.15 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 4req n ASP 278 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 4req n THR 279 N -0.89 0.00 -3.82 -3.53 5.66 -1.11 -4.83 114.28 105.76 4req n THR 279 Ca 0.08 -0.37 -0.36 0.00 -3.05 0.00 0.00 64.05 60.35 4req n THR 279 Cb 0.04 1.02 -0.07 0.00 -1.55 0.00 0.00 70.33 69.77 4req n THR 279 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 4req s ILE 280 N -0.69 5.47 0.18 1.09 1.01 -1.04 -1.53 121.20 125.69 4req s ILE 280 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.93 4req s ILE 280 Cb 0.00 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 4req s ILE 280 CO 0.00 0.56 -0.12 0.20 0.00 0.00 0.00 174.94 175.58 4req s ASN 281 N -0.56 2.20 -0.08 3.58 -0.87 0.11 -4.70 114.94 114.62 4req s ASN 281 Ca 0.13 -1.03 0.05 0.00 -1.57 0.00 0.00 52.86 50.44 4req s ASN 281 Cb -0.12 -0.08 -0.00 0.00 -0.02 0.00 0.00 41.25 41.03 4req s ASN 281 CO 0.02 -0.26 -0.24 -0.36 -2.57 0.00 0.00 177.10 173.70 4req s PHE 282 N -3.15 2.44 -0.42 2.20 0.40 0.36 -0.11 117.98 119.70 4req s PHE 282 Ca 0.20 -0.90 -0.11 0.00 -0.60 0.00 0.00 56.93 55.52 4req s PHE 282 Cb 0.01 -1.63 0.07 0.00 0.51 0.00 0.00 43.02 41.98 4req s PHE 282 CO 0.04 -0.34 0.28 0.50 0.70 0.00 0.00 175.22 176.41 4req s ARG 283 N 0.18 2.74 0.23 0.44 3.52 0.41 -0.06 118.95 126.41 4req s ARG 283 Ca -0.13 -1.36 0.10 0.00 -0.13 0.00 0.00 55.73 54.20 4req s ARG 283 Cb -0.16 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 4req s ARG 283 CO 0.07 -0.93 -0.11 0.14 -0.81 0.00 0.00 175.30 173.67 4req s VAL 284 N 1.50 3.03 0.20 7.11 -7.23 -0.74 -1.03 120.40 123.25 4req s VAL 284 Ca 0.03 -1.92 -0.22 0.00 -1.81 0.00 0.00 61.98 58.06 4req s VAL 284 Cb -0.23 -2.55 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 4req s VAL 284 CO 0.04 -0.24 0.76 -0.89 -0.31 0.00 0.00 175.10 174.46 4req s THR 285 N -2.03 4.46 -0.24 5.32 2.01 -1.26 -1.02 115.64 122.88 4req s THR 285 Ca 0.27 1.50 -0.03 0.00 0.31 0.00 0.00 61.69 63.75 4req s THR 285 Cb -0.07 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.46 4req s THR 285 CO 0.16 0.35 -0.06 0.00 -0.69 0.00 0.00 174.62 174.38 4req s ALA 286 N -1.36 2.74 0.18 7.40 0.00 0.67 -4.83 121.76 126.56 4req s ALA 286 Ca 0.40 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 51.05 4req s ALA 286 Cb -0.20 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.26 4req s ALA 286 CO 0.23 -0.64 0.14 0.25 0.00 0.00 0.00 175.76 175.74 4req n THR 287 N 4.73 0.00 0.23 0.00 -2.24 -1.26 -1.03 114.28 114.71 4req n THR 287 Ca -0.17 -0.70 0.12 0.00 -2.27 0.00 0.00 64.05 61.02 4req n THR 287 Cb 0.49 -0.37 0.46 0.00 -2.10 0.00 0.00 70.33 68.81 4req n THR 287 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 4req h HIS 288 N 0.53 0.00 -2.39 4.78 2.07 -1.93 -3.33 115.15 114.88 4req h HIS 288 Ca -0.11 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.88 4req h HIS 288 Cb 0.41 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.33 4req h HIS 288 CO 0.00 0.14 1.14 0.34 -3.07 0.00 0.00 177.93 176.47 4req s ASP 289 N -6.05 5.95 0.10 3.10 -1.08 -1.26 -4.83 116.67 112.60 4req s ASP 289 Ca 0.02 -0.09 -0.34 0.00 -0.52 0.00 0.00 52.55 51.62 4req s ASP 289 Cb 0.09 -2.55 -0.14 0.00 -1.46 0.00 0.00 42.92 38.85 4req s ASP 289 CO 0.62 -1.93 1.58 -0.61 0.52 0.00 0.00 175.17 175.35 4req h GLN 290 N 11.40 -0.82 0.00 4.34 4.15 -1.89 -2.30 115.11 129.99 4req h GLN 290 Ca -0.27 0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.15 4req h GLN 290 Cb 1.09 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 4req h GLN 290 CO 1.24 -0.55 -0.26 0.74 -1.93 0.00 0.00 178.83 178.07 4req h PHE 291 N -0.85 0.00 0.06 3.99 0.04 -1.96 -1.58 116.94 116.64 4req h PHE 291 Ca -0.03 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.47 4req h PHE 291 Cb 0.78 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.96 4req h PHE 291 CO -0.29 0.26 -1.11 -0.07 -0.60 0.00 0.00 178.31 176.50 4req h LEU 292 N 0.00 0.87 -0.28 1.54 3.38 -1.98 -1.87 115.31 116.97 4req h LEU 292 Ca -0.00 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.16 4req h LEU 292 Cb 0.81 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 4req h LEU 292 CO 0.03 1.56 0.10 0.74 0.09 0.00 0.00 178.44 180.96 4req h THR 293 N 0.29 1.19 -0.25 0.22 2.02 -1.25 0.17 112.91 115.30 4req h THR 293 Ca -0.16 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 4req h THR 293 Cb 1.78 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 4req h THR 293 CO 0.22 0.20 0.11 0.40 0.37 0.00 0.00 175.52 176.82 4req h ILE 294 N 0.30 1.16 -0.71 3.11 2.04 -1.27 -2.50 117.51 119.63 4req h ILE 294 Ca 0.09 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 4req h ILE 294 Cb 0.22 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 4req h ILE 294 CO -0.00 0.16 0.17 0.00 0.00 0.00 0.00 178.15 178.48 4req h ALA 295 N 0.96 0.94 0.00 1.87 0.00 -1.27 -2.61 119.26 119.15 4req h ALA 295 Ca 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 4req h ALA 295 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.67 4req h ALA 295 CO -0.01 0.67 -0.00 -0.09 0.00 0.00 0.00 179.25 179.82 4req h ARG 296 N 1.08 -0.00 -0.71 0.00 2.43 -0.56 0.44 114.38 117.06 4req h ARG 296 Ca 0.22 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 4req h ARG 296 Cb 0.37 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 4req h ARG 296 CO 0.00 0.18 0.30 -0.07 -1.51 0.00 0.00 179.97 178.87 4req h LEU 297 N -0.18 0.95 -0.29 3.80 3.38 -1.44 -0.94 115.31 120.59 4req h LEU 297 Ca -0.00 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.64 4req h LEU 297 Cb 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.69 4req h LEU 297 CO 0.00 0.83 -0.66 0.03 0.09 0.00 0.00 178.44 178.74 4req h ARG 298 N 1.02 0.75 -0.69 1.13 3.08 -1.42 -3.26 114.38 114.99 4req h ARG 298 Ca 0.24 -0.54 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 4req h ARG 298 Cb 0.17 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 4req h ARG 298 CO -0.02 1.16 0.13 0.00 -1.07 0.00 0.00 179.97 180.17 4req h ALA 299 N 0.71 0.91 0.30 0.04 0.00 -0.59 -2.48 119.26 118.15 4req h ALA 299 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.63 4req h ALA 299 Cb 1.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 4req h ALA 299 CO 0.13 0.66 -0.30 1.25 0.00 0.00 0.00 179.25 181.00 4req h LEU 300 N 1.05 -0.80 -0.68 0.00 6.46 -1.22 -1.97 115.31 118.14 4req h LEU 300 Ca 0.21 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 58.12 4req h LEU 300 Cb 0.42 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 4req h LEU 300 CO 0.01 -0.43 0.36 0.03 -0.62 0.00 0.00 178.44 177.79 4req h ARG 301 N -0.63 0.62 -0.66 1.25 3.08 -1.60 0.19 114.38 116.64 4req h ARG 301 Ca -0.01 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.01 4req h ARG 301 Cb 0.58 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 4req h ARG 301 CO -0.06 0.41 0.42 1.49 -1.07 0.00 0.00 179.97 181.17 4req h GLU 302 N 0.64 0.83 -0.01 0.04 4.81 -1.11 -1.90 114.58 117.87 4req h GLU 302 Ca 0.32 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 4req h GLU 302 Cb 0.27 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.46 4req h GLU 302 CO -0.22 0.55 -0.08 0.00 -0.73 0.00 0.00 179.01 178.53 4req h ALA 303 N 1.26 0.03 -0.22 2.92 0.00 -0.84 -3.05 119.26 119.36 4req h ALA 303 Ca 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.84 4req h ALA 303 Cb -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 4req h ALA 303 CO -0.07 -0.08 -0.11 2.35 0.00 0.00 0.00 179.25 181.34 4req h TRP 304 N -0.57 -0.27 -0.94 0.00 -0.00 -0.56 -0.29 115.95 113.32 4req h TRP 304 Ca -0.01 0.02 0.13 0.00 -0.00 0.00 0.00 58.89 59.04 4req h TRP 304 Cb 0.76 0.15 -0.09 0.00 -0.00 0.00 0.00 29.16 29.98 4req h TRP 304 CO 0.16 -0.17 0.56 0.00 -0.00 0.00 0.00 178.44 178.99 4req h ALA 305 N 1.10 1.43 -0.46 2.65 0.00 -1.28 0.29 119.26 122.98 4req h ALA 305 Ca 0.12 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 4req h ALA 305 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 4req h ALA 305 CO -0.28 0.09 -0.01 -0.09 0.00 0.00 0.00 179.25 178.96 4req h ARG 306 N 0.84 0.82 0.17 0.00 9.65 -1.17 -2.44 114.38 122.26 4req h ARG 306 Ca 0.49 -0.27 0.01 0.00 -1.10 0.00 0.00 59.98 59.11 4req h ARG 306 Cb 0.57 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.05 4req h ARG 306 CO -0.30 0.88 -0.32 0.82 2.80 0.00 0.00 179.97 183.85 4req h ILE 307 N 0.67 0.33 -0.83 1.20 2.04 0.55 -2.87 117.51 118.59 4req h ILE 307 Ca 0.13 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.20 4req h ILE 307 Cb 0.52 0.33 -0.14 0.00 -0.74 0.00 0.00 36.82 36.80 4req h ILE 307 CO 0.03 0.00 0.17 1.23 0.00 0.00 0.00 178.15 179.58 4req h GLY 308 N -0.57 1.19 1.00 5.37 0.00 -0.84 -1.62 103.07 107.60 4req h GLY 308 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 4req h GLY 308 CO -0.15 -0.32 0.38 -2.09 0.00 0.00 0.00 176.54 174.35 4req h GLU 309 N 0.19 0.96 -0.34 4.80 4.81 -1.25 0.11 114.58 123.85 4req h GLU 309 Ca 0.50 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.50 4req h GLU 309 Cb 0.96 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 4req h GLU 309 CO -0.64 0.71 -0.26 0.28 -0.73 0.00 0.00 179.01 178.37 4req h VAL 310 N 0.94 1.27 -0.01 0.32 2.07 -1.10 -3.03 116.25 116.72 4req h VAL 310 Ca 0.24 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.40 4req h VAL 310 Cb 0.03 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 4req h VAL 310 CO -0.04 0.45 -0.11 0.49 0.02 0.00 0.00 177.57 178.38 4req n PHE 311 N -4.10 0.00 -2.00 1.57 3.72 -1.02 -4.97 117.46 110.66 4req n PHE 311 Ca -0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 4req n PHE 311 Cb 0.44 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 38.87 4req n PHE 311 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4req n GLY 312 N 1.24 0.20 3.76 1.37 0.00 -0.33 -4.71 105.19 106.72 4req n GLY 312 Ca 0.16 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 4req n GLY 312 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 313 N -2.36 2.66 0.27 1.61 1.01 0.23 -4.74 120.40 119.07 4req s VAL 313 Ca 0.00 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 4req s VAL 313 Cb 0.00 -3.26 -0.14 0.00 0.00 0.00 0.00 36.38 32.98 4req s VAL 313 CO 0.00 0.01 1.10 0.47 0.00 0.00 0.00 175.10 176.68 4req n ASP 314 N -0.61 1.58 -0.24 3.32 8.00 -1.26 -4.72 116.55 122.62 4req n ASP 314 Ca 0.08 1.17 0.04 0.00 0.71 0.00 0.00 54.79 56.79 4req n ASP 314 Cb 0.46 -1.31 0.16 0.00 -0.02 0.00 0.00 41.12 40.42 4req n ASP 314 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 4req h GLU 315 N 2.52 0.38 0.00 -1.24 4.11 -1.96 -2.00 114.58 116.39 4req h GLU 315 Ca -0.41 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.99 4req h GLU 315 Cb 1.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.49 4req h GLU 315 CO 0.64 0.25 0.00 0.38 0.07 0.00 0.00 179.01 180.35 4req h ASP 316 N 0.39 0.00 -0.39 3.06 2.03 -1.90 -3.23 116.42 116.38 4req h ASP 316 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 4req h ASP 316 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 4req h ASP 316 CO -0.40 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.10 4req n LYS 317 N -2.45 3.45 -0.12 4.15 5.02 -0.76 -4.66 118.16 122.80 4req n LYS 317 Ca 0.03 -2.82 0.04 0.00 -2.02 0.00 0.00 58.31 53.54 4req n LYS 317 Cb 0.31 -1.87 0.11 0.00 -0.02 0.00 0.00 35.03 33.55 4req n LYS 317 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 4req n ARG 318 N 0.08 1.55 -3.04 1.97 1.74 -1.19 -4.80 116.66 112.96 4req n ARG 318 Ca 0.22 -0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 56.05 4req n ARG 318 Cb 0.90 -1.18 -0.05 0.00 -1.02 0.00 0.00 32.46 31.10 4req n ARG 318 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 4req s GLY 319 N -1.01 1.91 0.44 -0.13 0.00 -1.26 -3.12 107.32 104.16 4req s GLY 319 Ca 0.16 -0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.37 4req s GLY 319 CO 0.11 1.50 1.27 0.00 0.00 0.00 0.00 173.10 175.98 4req s ALA 320 N 2.33 3.13 -0.21 3.20 0.00 -1.26 -4.98 121.76 123.97 4req s ALA 320 Ca 0.30 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.40 4req s ALA 320 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.49 4req s ALA 320 CO 0.09 -0.85 -0.08 1.03 0.00 0.00 0.00 175.76 175.95 4req s ARG 321 N -2.43 3.25 -0.04 0.00 0.52 -1.26 -4.65 118.95 114.34 4req s ARG 321 Ca 0.60 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 55.19 4req s ARG 321 Cb -0.36 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 4req s ARG 321 CO 0.45 -0.21 -0.25 -0.65 0.02 0.00 0.00 175.30 174.66 4req s GLN 322 N 1.42 2.34 -0.44 3.54 -0.21 -1.26 -0.49 119.66 124.56 4req s GLN 322 Ca 0.05 -0.91 -0.08 0.00 0.02 0.00 0.00 55.36 54.44 4req s GLN 322 Cb -0.14 -2.11 0.10 0.00 1.00 0.00 0.00 33.01 31.86 4req s GLN 322 CO -0.06 0.47 0.30 -0.80 -2.12 0.00 0.00 175.29 173.08 4req s ASN 323 N -0.39 5.62 0.10 5.90 0.01 0.92 0.59 114.94 127.69 4req s ASN 323 Ca 0.03 -1.78 -0.22 0.00 -0.71 0.00 0.00 52.86 50.18 4req s ASN 323 Cb -0.12 -1.98 -0.07 0.00 0.41 0.00 0.00 41.25 39.49 4req s ASN 323 CO 0.01 -0.62 0.65 0.00 -1.51 0.00 0.00 177.10 175.64 4req s ALA 324 N 1.36 3.52 0.04 0.60 0.00 0.11 -1.79 121.76 125.59 4req s ALA 324 Ca 0.05 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.25 4req s ALA 324 Cb -0.25 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 4req s ALA 324 CO -0.00 0.33 -0.22 -1.50 0.00 0.00 0.00 175.76 174.37 4req s ILE 325 N -1.02 1.81 0.60 0.00 2.07 -0.19 -0.50 121.20 123.96 4req s ILE 325 Ca 0.32 -1.21 -0.15 0.00 -1.41 0.00 0.00 60.65 58.20 4req s ILE 325 Cb -0.21 -1.55 -0.04 0.00 0.13 0.00 0.00 42.46 40.79 4req s ILE 325 CO 0.22 0.29 1.04 0.42 -1.91 0.00 0.00 174.94 175.00 4req s THR 326 N -0.76 4.08 0.05 4.00 -4.23 -0.56 -0.23 115.64 117.99 4req s THR 326 Ca 0.09 0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 61.20 4req s THR 326 Cb -0.09 -3.50 -0.08 0.00 1.34 0.00 0.00 72.50 70.17 4req s THR 326 CO 0.01 -0.66 1.77 -0.55 -0.54 0.00 0.00 174.62 174.65 4req s SER 327 N -3.14 6.54 0.07 3.99 0.15 -0.20 -4.73 113.70 116.38 4req s SER 327 Ca 0.61 2.54 -0.05 0.00 0.70 0.00 0.00 55.95 59.75 4req s SER 327 Cb -0.14 -2.55 -0.29 0.00 -1.71 0.00 0.00 66.02 61.33 4req s SER 327 CO 0.40 -0.96 1.11 -0.25 1.20 0.00 0.00 173.24 174.75 4req h TRP 328 N 9.16 0.52 -0.50 3.44 7.01 -1.92 -3.32 115.95 130.34 4req h TRP 328 Ca -0.44 -0.38 0.03 0.00 2.11 0.00 0.00 58.89 60.21 4req h TRP 328 Cb 1.21 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.22 4req h TRP 328 CO 0.84 1.30 0.33 -0.09 -2.79 0.00 0.00 178.44 178.04 4req h ARG 329 N 0.08 0.56 -0.00 2.65 2.43 -1.91 -2.45 114.38 115.74 4req h ARG 329 Ca -0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 4req h ARG 329 Cb 1.99 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 4req h ARG 329 CO 0.21 0.37 -0.09 0.39 -1.51 0.00 0.00 179.97 179.34 4req n GLU 330 N -4.47 0.47 -2.51 0.20 1.02 -1.25 -0.66 120.64 113.44 4req n GLU 330 Ca 0.06 -0.11 -0.37 0.00 -0.02 0.00 0.00 57.16 56.71 4req n GLU 330 Cb 0.14 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 4req n GLU 330 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 4req s LEU 331 N -2.60 4.24 0.26 -4.62 1.43 -0.92 -4.94 118.68 111.53 4req s LEU 331 Ca 0.26 2.11 0.12 0.00 -1.03 0.00 0.00 54.13 55.58 4req s LEU 331 Cb 0.20 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 4req s LEU 331 CO 0.49 -0.42 -0.20 0.42 0.23 0.00 0.00 176.35 176.87 4req s THR 332 N -1.53 2.50 -0.17 5.49 -4.23 -1.26 -4.59 115.64 111.85 4req s THR 332 Ca 0.55 -2.32 -0.11 0.00 -1.18 0.00 0.00 61.69 58.62 4req s THR 332 Cb -0.25 -2.29 -0.22 0.00 1.34 0.00 0.00 72.50 71.08 4req s THR 332 CO 0.31 -0.35 0.20 -1.14 -0.54 0.00 0.00 174.62 173.11 4req n ARG 333 N -0.48 0.67 -2.66 3.99 0.63 -1.26 -4.62 116.66 112.93 4req n ARG 333 Ca -0.06 0.35 -0.41 0.00 -0.92 0.00 0.00 57.85 56.81 4req n ARG 333 Cb 0.59 -1.69 -0.04 0.00 0.45 0.00 0.00 32.46 31.77 4req n ARG 333 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 4req s GLU 334 N -2.49 4.68 -0.83 -0.14 8.01 -1.26 -3.88 118.70 122.79 4req s GLU 334 Ca -0.27 1.54 -0.02 0.00 0.01 0.00 0.00 54.97 56.22 4req s GLU 334 Cb 0.07 -3.34 0.00 0.00 -4.31 0.00 0.00 34.13 26.55 4req s GLU 334 CO 0.67 0.19 0.65 -3.47 0.01 0.00 0.00 175.26 173.31 4req n ASP 335 N 2.58 -5.77 0.26 -0.19 -0.08 -1.26 -4.86 116.55 107.22 4req n ASP 335 Ca 0.02 -0.71 0.13 0.00 -1.51 0.00 0.00 54.79 52.73 4req n ASP 335 Cb 0.48 -2.91 0.65 0.00 2.34 0.00 0.00 41.12 41.69 4req n ASP 335 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 4req h PRO 336 N -0.24 0.00 0.00 -0.67 0.13 -1.72 -3.05 132.00 126.45 4req h PRO 336 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 4req h PRO 336 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 4req h PRO 336 CO 0.36 0.13 -0.08 1.88 -0.23 0.00 0.00 178.00 180.06 4req h TYR 337 N 0.00 0.00 -0.15 1.56 -1.99 -1.88 -1.70 116.97 112.80 4req h TYR 337 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 4req h TYR 337 Cb 0.50 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 4req h TYR 337 CO 0.00 0.08 0.03 0.28 -0.00 0.00 0.00 178.16 178.55 4req h VAL 338 N 0.00 1.09 -0.10 -2.88 2.07 -1.89 -2.78 116.25 111.75 4req h VAL 338 Ca -0.00 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.25 4req h VAL 338 Cb 0.27 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 4req h VAL 338 CO 0.01 0.10 0.10 0.78 0.02 0.00 0.00 177.57 178.58 4req h ASN 339 N 0.21 0.00 -0.42 0.57 2.35 -1.51 -0.62 115.58 116.16 4req h ASN 339 Ca 0.05 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 4req h ASN 339 Cb 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 4req h ASN 339 CO -0.00 0.00 0.24 0.40 -1.65 0.00 0.00 177.43 176.42 4req h ILE 340 N 0.00 1.03 -0.40 2.81 2.04 -1.66 0.13 117.51 121.46 4req h ILE 340 Ca 0.05 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.62 4req h ILE 340 Cb 0.24 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 4req h ILE 340 CO -0.00 0.09 -0.24 -0.07 0.00 0.00 0.00 178.15 177.92 4req h LEU 341 N 0.48 0.90 -0.44 1.44 3.38 -1.28 -1.19 115.31 118.60 4req h LEU 341 Ca 0.17 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 4req h LEU 341 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 4req h LEU 341 CO -0.09 1.13 0.25 0.03 0.09 0.00 0.00 178.44 179.85 4req h ARG 342 N 0.67 0.61 -0.69 1.13 3.08 -0.94 -2.24 114.38 116.00 4req h ARG 342 Ca 0.08 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 4req h ARG 342 Cb 0.81 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 4req h ARG 342 CO 0.07 0.47 0.22 0.78 -1.07 0.00 0.00 179.97 180.44 4req h GLY 343 N 0.58 1.13 0.94 0.04 0.00 -0.63 -2.77 103.07 102.36 4req h GLY 343 Ca 0.16 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 4req h GLY 343 CO -0.03 0.61 0.09 1.76 0.00 0.00 0.00 176.54 178.97 4req h SER 344 N 1.01 0.21 0.49 0.19 0.02 -0.84 -0.25 113.55 114.38 4req h SER 344 Ca 0.22 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.91 4req h SER 344 Cb 0.28 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 4req h SER 344 CO -0.01 0.23 -0.77 -0.29 -1.14 0.00 0.00 176.83 174.85 4req h ILE 345 N 0.17 1.45 -0.18 3.27 2.10 -1.42 -2.56 117.51 120.33 4req h ILE 345 Ca 0.06 -2.36 -0.02 0.00 1.08 0.00 0.00 64.86 63.62 4req h ILE 345 Cb 0.07 2.28 -0.01 0.00 -1.09 0.00 0.00 36.82 38.07 4req h ILE 345 CO -0.01 0.69 0.04 0.00 -1.08 0.00 0.00 178.15 177.80 4req h ALA 346 N 1.05 0.24 -0.70 0.18 0.00 -1.46 -1.65 119.26 116.93 4req h ALA 346 Ca -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 4req h ALA 346 Cb 1.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 4req h ALA 346 CO 0.12 -0.12 0.34 1.15 0.00 0.00 0.00 179.25 180.74 4req h THR 347 N 0.10 1.23 -0.39 0.00 2.02 -1.06 -2.15 112.91 112.66 4req h THR 347 Ca 0.06 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 4req h THR 347 Cb 0.27 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 4req h THR 347 CO 0.00 0.27 0.17 0.15 0.37 0.00 0.00 175.52 176.47 4req h PHE 348 N 0.97 0.58 -0.78 3.16 3.57 -1.41 -2.77 116.94 120.27 4req h PHE 348 Ca 0.24 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 4req h PHE 348 Cb 0.11 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 4req h PHE 348 CO 0.00 0.51 0.33 0.77 -2.23 0.00 0.00 178.31 177.70 4req h SER 349 N 0.49 1.05 0.06 0.41 0.02 -0.96 -1.67 113.55 112.95 4req h SER 349 Ca 0.13 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 4req h SER 349 Cb 0.17 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.44 4req h SER 349 CO -0.01 0.92 -0.03 0.00 -1.14 0.00 0.00 176.83 176.57 4req h ALA 350 N 1.24 -0.08 -0.80 3.77 0.00 -1.41 -2.33 119.26 119.66 4req h ALA 350 Ca 0.26 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.05 4req h ALA 350 Cb 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 4req h ALA 350 CO -0.03 -0.41 0.52 1.03 0.00 0.00 0.00 179.25 180.36 4req h SER 351 N -0.34 0.88 0.17 0.00 0.87 -1.43 -2.00 113.55 111.70 4req h SER 351 Ca -0.01 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 4req h SER 351 Cb 0.30 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 4req h SER 351 CO 0.01 0.62 -0.28 0.58 -0.53 0.00 0.00 176.83 177.24 4req h VAL 352 N 1.04 1.24 0.00 2.23 2.07 -1.21 -2.96 116.25 118.66 4req h VAL 352 Ca 0.30 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.67 4req h VAL 352 Cb -0.06 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 4req h VAL 352 CO -0.09 0.35 0.00 1.23 0.02 0.00 0.00 177.57 179.08 4req h GLY 353 N 0.99 0.00 -0.84 2.17 0.00 -0.83 -3.41 103.07 101.15 4req h GLY 353 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 4req h GLY 353 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 4req n GLY 354 N -0.15 0.87 3.77 4.60 0.00 -0.90 -4.13 105.19 109.24 4req n GLY 354 Ca 0.01 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 4req n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 355 N -2.84 2.83 0.05 4.61 0.00 -0.81 -4.72 121.76 120.87 4req s ALA 355 Ca 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 4req s ALA 355 Cb 0.00 -3.41 -0.31 0.00 0.00 0.00 0.00 23.12 19.40 4req s ALA 355 CO 0.00 -0.85 1.08 0.93 0.00 0.00 0.00 175.76 176.92 4req h GLU 356 N 1.61 0.60 -4.48 0.00 3.07 -0.21 -3.46 114.58 111.71 4req h GLU 356 Ca -0.50 -0.86 -0.23 0.00 -0.50 0.00 0.00 59.36 57.27 4req h GLU 356 Cb 1.26 0.30 -0.19 0.00 -0.84 0.00 0.00 28.75 29.28 4req h GLU 356 CO 0.58 1.40 -0.71 -1.54 -1.40 0.00 0.00 179.01 177.34 4req s SER 357 N -7.47 0.81 -0.07 1.42 1.04 -0.96 -2.40 113.70 106.06 4req s SER 357 Ca -0.09 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.64 4req s SER 357 Cb 0.05 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.27 4req s SER 357 CO 0.94 -0.32 -0.05 -0.63 0.98 0.00 0.00 173.24 174.16 4req s ILE 358 N -2.19 0.69 -0.28 -1.02 1.01 -0.55 -0.72 121.20 118.14 4req s ILE 358 Ca -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 4req s ILE 358 Cb -0.04 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.72 4req s ILE 358 CO -0.02 0.29 -0.01 -0.89 0.00 0.00 0.00 174.94 174.31 4req s THR 359 N 1.40 3.13 -0.23 2.92 2.01 0.35 -2.08 115.64 123.14 4req s THR 359 Ca -0.03 -1.12 -0.17 0.00 0.31 0.00 0.00 61.69 60.69 4req s THR 359 Cb -0.13 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 4req s THR 359 CO -0.03 0.04 0.47 -0.89 -0.69 0.00 0.00 174.62 173.53 4req s THR 360 N 1.33 5.12 0.38 -0.82 2.01 -1.26 -1.50 115.64 120.90 4req s THR 360 Ca -0.02 0.83 -0.26 0.00 0.31 0.00 0.00 61.69 62.55 4req s THR 360 Cb -0.18 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 4req s THR 360 CO -0.02 0.15 1.21 -0.76 -0.69 0.00 0.00 174.62 174.52 4req s LEU 361 N 1.89 4.27 0.79 4.42 1.43 -1.26 -4.78 118.68 125.45 4req s LEU 361 Ca 0.21 2.46 -0.13 0.00 -1.03 0.00 0.00 54.13 55.63 4req s LEU 361 Cb -0.15 -3.90 0.07 0.00 0.03 0.00 0.00 46.19 42.25 4req s LEU 361 CO 0.09 -0.64 1.20 -2.84 0.23 0.00 0.00 176.35 174.39 4req s PRO 362 N -2.12 1.74 0.45 1.29 0.02 -1.26 -4.80 135.00 130.32 4req s PRO 362 Ca 0.54 1.74 0.24 0.00 0.02 0.00 0.00 61.00 63.54 4req s PRO 362 Cb -0.34 -1.79 0.97 0.00 0.02 0.00 0.00 34.50 33.37 4req s PRO 362 CO 0.43 -2.13 1.85 0.27 -0.33 0.00 0.00 177.00 177.09 4req h PHE 363 N -0.80 0.00 0.00 6.54 -0.00 -1.88 -2.99 116.94 117.81 4req h PHE 363 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 4req h PHE 363 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.24 4req h PHE 363 CO 0.47 0.22 0.00 0.25 -0.00 0.00 0.00 178.31 179.25 4req n THR 364 N -3.43 0.03 0.06 0.88 -2.24 -1.26 -4.58 114.28 103.73 4req n THR 364 Ca -0.00 0.01 0.21 0.00 -2.27 0.00 0.00 64.05 61.99 4req n THR 364 Cb 0.41 -0.53 0.74 0.00 -2.10 0.00 0.00 70.33 68.85 4req n THR 364 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 4req h GLN 365 N 0.00 0.00 -0.01 -0.78 5.75 -1.67 -1.56 115.11 116.84 4req h GLN 365 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 4req h GLN 365 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 4req h GLN 365 CO 0.00 0.00 -0.35 0.00 -2.65 0.00 0.00 178.83 175.83 4req n ALA 366 N -2.39 3.28 -0.10 3.38 0.00 -1.26 -4.34 120.51 119.08 4req n ALA 366 Ca 0.08 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 4req n ALA 366 Cb 0.65 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 4req n ALA 366 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 4req n LEU 367 N -0.53 2.72 0.00 0.00 4.77 -0.64 -4.82 117.00 118.50 4req n LEU 367 Ca 0.11 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 4req n LEU 367 Cb 0.38 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 4req n LEU 367 CO 0.27 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 4req n GLY 368 N 2.43 -1.07 3.86 -0.72 0.00 -0.85 -4.68 105.19 104.16 4req n GLY 368 Ca -0.35 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 4req n GLY 368 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4req s LEU 369 N 0.00 4.28 0.35 0.99 1.43 0.14 -4.08 118.68 121.79 4req s LEU 369 Ca 0.00 1.01 -0.28 0.00 -1.03 0.00 0.00 54.13 53.82 4req s LEU 369 Cb 0.00 -3.40 -0.12 0.00 0.03 0.00 0.00 46.19 42.70 4req s LEU 369 CO 0.00 0.04 1.40 -2.65 0.23 0.00 0.00 176.35 175.37 4req n PRO 370 N 0.47 2.39 0.04 1.29 -0.02 -1.26 -0.03 135.00 137.87 4req n PRO 370 Ca -0.03 0.84 -0.08 0.00 -2.02 0.00 0.00 63.50 62.20 4req n PRO 370 Cb 0.52 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 4req n PRO 370 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 4req h GLU 371 N 2.92 0.02 0.00 -0.52 5.08 -1.92 -3.42 114.58 116.73 4req h GLU 371 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 4req h GLU 371 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 4req h GLU 371 CO 0.65 0.86 0.00 -0.40 -1.00 0.00 0.00 179.01 179.11 4req n ASP 372 N -3.27 0.00 0.15 1.42 5.68 -1.26 -5.06 116.55 114.22 4req n ASP 372 Ca -0.06 -0.11 0.13 0.00 -0.50 0.00 0.00 54.79 54.24 4req n ASP 372 Cb 0.98 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 41.29 4req n ASP 372 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 4req h ASP 373 N 0.00 0.00 -0.25 -1.12 3.58 -2.00 -3.40 116.42 113.22 4req h ASP 373 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 4req h ASP 373 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 4req h ASP 373 CO 0.00 0.00 -0.15 0.33 -2.88 0.00 0.00 179.24 176.54 4req n PHE 374 N -2.60 -0.11 -0.29 0.28 7.35 -1.26 0.53 117.46 121.37 4req n PHE 374 Ca 0.05 0.31 -0.03 0.00 -0.76 0.00 0.00 57.45 57.02 4req n PHE 374 Cb 0.45 -0.47 0.13 0.00 0.35 0.00 0.00 39.48 39.94 4req n PHE 374 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 4req h PRO 375 N 0.00 1.16 -0.51 -7.13 0.11 -2.00 -1.20 132.00 122.42 4req h PRO 375 Ca 0.04 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 4req h PRO 375 Cb 0.10 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 4req h PRO 375 CO -0.24 0.86 0.14 -0.07 -0.21 0.00 0.00 178.00 178.48 4req h LEU 376 N 1.16 0.76 -0.67 2.35 3.38 -1.60 -1.86 115.31 118.83 4req h LEU 376 Ca 0.29 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 4req h LEU 376 Cb 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 4req h LEU 376 CO -0.04 0.79 0.10 -0.09 0.09 0.00 0.00 178.44 179.28 4req h ARG 377 N 0.71 1.12 -0.33 1.13 2.43 0.63 -1.07 114.38 119.00 4req h ARG 377 Ca 0.16 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 4req h ARG 377 Cb 0.31 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 4req h ARG 377 CO -0.00 1.03 0.08 0.82 -1.51 0.00 0.00 179.97 180.39 4req h ILE 378 N 1.04 1.22 0.13 1.20 1.08 -1.10 0.19 117.51 121.27 4req h ILE 378 Ca 0.20 -0.75 0.02 0.00 -0.39 0.00 0.00 64.86 63.94 4req h ILE 378 Cb 0.46 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 4req h ILE 378 CO 0.02 0.25 -0.37 0.00 -0.69 0.00 0.00 178.15 177.36 4req h ALA 379 N 0.92 -0.64 -0.20 1.87 0.00 -1.05 -0.89 119.26 119.26 4req h ALA 379 Ca 0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 4req h ALA 379 Cb 0.30 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 4req h ALA 379 CO 0.00 -0.92 -0.47 0.07 0.00 0.00 0.00 179.25 177.93 4req h ARG 380 N -0.60 0.52 0.00 0.00 0.11 -1.13 -3.20 114.38 110.08 4req h ARG 380 Ca 0.03 -0.29 -0.05 0.00 0.10 0.00 0.00 59.98 59.76 4req h ARG 380 Cb 0.63 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 4req h ARG 380 CO -0.21 0.88 -0.24 -0.91 0.10 0.00 0.00 179.97 179.59 4req h ASN 381 N 0.42 0.00 0.26 0.08 2.35 -0.41 -1.65 115.58 116.62 4req h ASN 381 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 4req h ASN 381 Cb 0.98 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 4req h ASN 381 CO 0.09 0.24 -0.38 0.74 -1.65 0.00 0.00 177.43 176.47 4req h THR 382 N 0.00 0.00 -0.73 2.81 2.02 -1.15 0.33 112.91 116.19 4req h THR 382 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 4req h THR 382 Cb 0.46 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 4req h THR 382 CO 0.03 0.00 0.48 1.23 0.37 0.00 0.00 175.52 177.63 4req h GLY 383 N -0.67 1.03 1.02 2.16 0.00 -1.58 -1.48 103.07 103.55 4req h GLY 383 Ca -0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 4req h GLY 383 CO -0.11 0.38 0.41 -2.22 0.00 0.00 0.00 176.54 175.00 4req h ILE 384 N 0.99 1.24 -0.20 2.60 2.04 -1.03 -1.68 117.51 121.48 4req h ILE 384 Ca 0.27 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 4req h ILE 384 Cb -0.10 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 4req h ILE 384 CO -0.06 0.28 -0.19 0.58 0.00 0.00 0.00 178.15 178.76 4req h VAL 385 N 1.11 1.33 -0.48 1.67 2.07 -0.23 -1.69 116.25 120.03 4req h VAL 385 Ca 0.28 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.49 4req h VAL 385 Cb 0.07 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 4req h VAL 385 CO -0.04 0.41 0.24 -0.07 0.02 0.00 0.00 177.57 178.13 4req h LEU 386 N 0.14 0.35 -0.10 2.57 3.38 -1.05 0.13 115.31 120.73 4req h LEU 386 Ca 0.03 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 4req h LEU 386 Cb 0.73 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 4req h LEU 386 CO 0.05 0.24 -0.13 0.00 0.09 0.00 0.00 178.44 178.69 4req h ALA 387 N 1.26 0.15 0.00 1.53 0.00 -1.28 -2.40 119.26 118.52 4req h ALA 387 Ca 0.21 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 4req h ALA 387 Cb 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 4req h ALA 387 CO -0.15 0.02 -1.38 0.39 0.00 0.00 0.00 179.25 178.14 4req n GLU 388 N -4.61 0.62 -0.07 0.00 1.02 -0.64 -3.20 120.64 113.76 4req n GLU 388 Ca -0.07 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 4req n GLU 388 Cb 0.35 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 4req n GLU 388 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 4req n GLU 389 N -2.83 0.53 0.15 3.49 1.02 0.39 -4.62 120.64 118.76 4req n GLU 389 Ca -0.08 0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.23 4req n GLU 389 Cb 0.79 -1.28 0.06 0.00 -0.02 0.00 0.00 31.44 30.99 4req n GLU 389 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 4req h VAL 390 N 0.00 0.12 -6.14 2.62 2.07 -1.23 -3.49 116.25 110.20 4req h VAL 390 Ca -0.31 -1.19 -0.45 0.00 0.82 0.00 0.00 66.70 65.57 4req h VAL 390 Cb 1.51 1.82 0.03 0.00 -1.52 0.00 0.00 31.29 33.12 4req h VAL 390 CO -0.04 0.07 -0.74 0.59 0.02 0.00 0.00 177.57 177.47 4req n ASN 391 N -2.91 -5.15 0.15 0.57 3.02 -0.92 -4.90 115.26 105.13 4req n ASN 391 Ca 0.01 -0.70 0.12 0.00 -0.03 0.00 0.00 54.58 53.98 4req n ASN 391 Cb 0.58 -4.27 0.23 0.00 -0.61 0.00 0.00 39.78 35.71 4req n ASN 391 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 4req h ILE 392 N -2.28 0.00 -0.01 2.41 3.07 -1.75 -3.30 117.51 115.64 4req h ILE 392 Ca -0.58 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 65.06 4req h ILE 392 Cb 1.37 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 4req h ILE 392 CO 0.63 0.00 -0.03 0.61 -1.05 0.00 0.00 178.15 178.31 4req n GLY 393 N 1.21 -0.44 0.19 0.16 0.00 -1.26 -4.15 105.19 100.90 4req n GLY 393 Ca 0.04 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.78 4req n GLY 393 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 4req h ARG 394 N 1.40 0.00 -5.23 1.61 2.47 -1.78 -3.44 114.38 109.41 4req h ARG 394 Ca 0.00 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.05 4req h ARG 394 Cb 0.34 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 28.36 4req h ARG 394 CO 0.00 0.29 -0.81 0.08 0.56 0.00 0.00 179.97 180.09 4req s VAL 395 N -3.29 2.59 0.10 2.04 1.01 -1.26 -4.25 120.40 117.35 4req s VAL 395 Ca 0.03 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 4req s VAL 395 Cb 0.08 -2.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 4req s VAL 395 CO 0.68 0.53 1.12 0.20 0.00 0.00 0.00 175.10 177.63 4req s ASN 396 N 0.68 7.21 -0.86 3.32 0.01 -1.26 -4.11 114.94 119.92 4req s ASN 396 Ca -0.08 1.99 -0.04 0.00 -0.71 0.00 0.00 52.86 54.03 4req s ASN 396 Cb -0.16 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.92 4req s ASN 396 CO 0.02 -0.33 0.62 -0.67 -1.51 0.00 0.00 177.10 175.23 4req n ASP 397 N 3.22 -4.98 -0.01 -1.22 2.03 -1.26 -4.89 116.55 109.44 4req n ASP 397 Ca 0.06 -0.94 0.18 0.00 0.52 0.00 0.00 54.79 54.61 4req n ASP 397 Cb 0.47 -1.94 0.65 0.00 -0.72 0.00 0.00 41.12 39.58 4req n ASP 397 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 4req h PRO 398 N -0.48 0.07 0.00 -0.67 0.11 -1.80 -1.50 132.00 127.74 4req h PRO 398 Ca -0.60 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.50 4req h PRO 398 Cb 1.37 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.47 4req h PRO 398 CO 0.38 0.05 -0.23 0.00 -0.21 0.00 0.00 178.00 177.99 4req n ALA 399 N -2.61 2.80 -1.70 -0.75 0.00 -1.26 -4.90 120.51 112.08 4req n ALA 399 Ca 0.10 -0.19 -0.59 0.00 0.00 0.00 0.00 53.44 52.76 4req n ALA 399 Cb 0.55 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 4req n ALA 399 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 400 N 1.46 0.71 0.68 0.00 0.00 -0.57 0.51 105.19 107.99 4req n GLY 400 Ca 0.06 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.00 4req n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 401 N 3.98 1.81 3.70 -0.02 0.00 -1.26 -5.04 105.19 108.37 4req n GLY 401 Ca 0.26 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 4req n GLY 401 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4req n SER 402 N 0.00 3.67 0.20 1.61 2.88 0.18 -4.87 113.62 117.30 4req n SER 402 Ca 0.00 1.07 -0.15 0.00 -1.33 0.00 0.00 58.87 58.46 4req n SER 402 Cb 0.00 -1.52 -0.07 0.00 -0.75 0.00 0.00 64.21 61.87 4req n SER 402 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 4req h TYR 403 N 6.48 -0.83 0.15 0.66 0.05 -1.88 0.41 116.97 122.00 4req h TYR 403 Ca -0.44 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.35 4req h TYR 403 Cb 1.22 0.32 -0.03 0.00 1.01 0.00 0.00 36.73 39.25 4req h TYR 403 CO 0.64 -0.44 -0.41 -0.92 -1.05 0.00 0.00 178.16 175.97 4req h TYR 404 N -0.65 -1.19 -0.65 4.88 3.20 -1.89 -1.47 116.97 119.20 4req h TYR 404 Ca -0.02 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.91 4req h TYR 404 Cb 0.59 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 4req h TYR 404 CO -0.19 -0.48 0.40 0.28 -1.64 0.00 0.00 178.16 176.54 4req h VAL 405 N -0.62 1.07 0.17 1.81 2.07 -1.87 -1.82 116.25 117.06 4req h VAL 405 Ca -0.01 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 4req h VAL 405 Cb 0.61 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 4req h VAL 405 CO -0.19 0.14 -0.08 -0.33 0.02 0.00 0.00 177.57 177.12 4req h GLU 406 N 0.78 -0.22 -0.97 1.57 4.39 -0.86 -0.70 114.58 118.57 4req h GLU 406 Ca 0.27 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.07 4req h GLU 406 Cb 0.04 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 4req h GLU 406 CO -0.11 -0.11 0.62 1.03 -1.16 0.00 0.00 179.01 179.27 4req h SER 407 N -0.28 0.93 0.95 1.42 0.87 -1.09 -0.51 113.55 115.84 4req h SER 407 Ca -0.02 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 4req h SER 407 Cb 0.21 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 4req h SER 407 CO 0.04 0.55 -0.77 0.25 -0.53 0.00 0.00 176.83 176.37 4req h LEU 408 N 1.02 0.00 0.27 2.23 5.85 -1.18 -1.64 115.31 121.87 4req h LEU 408 Ca 0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 4req h LEU 408 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 4req h LEU 408 CO -0.20 0.77 -0.13 0.74 -0.34 0.00 0.00 178.44 179.28 4req h THR 409 N 0.00 0.76 -0.31 1.05 2.02 -0.69 -0.54 112.91 115.21 4req h THR 409 Ca -0.01 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.60 4req h THR 409 Cb 1.45 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 4req h THR 409 CO 0.10 0.12 0.16 -0.09 0.37 0.00 0.00 175.52 176.18 4req h ARG 410 N -0.69 0.33 -0.79 6.66 1.12 -1.08 -0.90 114.38 119.02 4req h ARG 410 Ca -0.04 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 58.85 4req h ARG 410 Cb 0.48 -0.07 -0.05 0.00 -0.01 0.00 0.00 29.97 30.31 4req h ARG 410 CO 0.06 0.22 0.50 0.77 -3.11 0.00 0.00 179.97 178.41 4req h SER 411 N 0.34 0.81 -0.24 -3.80 0.02 -1.20 -1.26 113.55 108.22 4req h SER 411 Ca 0.12 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 4req h SER 411 Cb 0.03 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 4req h SER 411 CO -0.08 0.55 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.65 4req h LEU 412 N 0.96 0.86 0.19 5.07 3.38 -0.95 -1.49 115.31 123.34 4req h LEU 412 Ca 0.32 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 4req h LEU 412 Cb 0.04 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.55 4req h LEU 412 CO -0.12 1.18 -0.09 0.00 0.09 0.00 0.00 178.44 179.49 4req h ALA 413 N 0.85 -0.26 -0.32 1.53 0.00 -0.72 -1.13 119.26 119.22 4req h ALA 413 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 4req h ALA 413 Cb 1.02 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 4req h ALA 413 CO 0.10 -0.51 0.15 -0.44 0.00 0.00 0.00 179.25 178.54 4req h ASP 414 N -0.52 0.39 0.68 0.00 3.32 -1.25 0.12 116.42 119.15 4req h ASP 414 Ca -0.03 -0.03 -0.27 0.00 0.02 0.00 0.00 57.03 56.73 4req h ASP 414 Cb 0.39 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 4req h ASP 414 CO 0.04 0.34 -1.27 0.00 -1.72 0.00 0.00 179.24 176.63 4req h ALA 415 N 1.73 0.23 -0.01 3.45 0.00 -1.28 -3.05 119.26 120.32 4req h ALA 415 Ca 0.11 -0.97 -0.24 0.00 0.00 0.00 0.00 54.91 53.81 4req h ALA 415 Cb 0.05 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.90 4req h ALA 415 CO -0.02 1.11 -0.97 0.00 0.00 0.00 0.00 179.25 179.37 4req h ALA 416 N 0.69 0.26 0.09 0.00 0.00 -0.84 -3.19 119.26 116.28 4req h ALA 416 Ca -0.13 -0.69 0.01 0.00 0.00 0.00 0.00 54.91 54.09 4req h ALA 416 Cb 1.93 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 4req h ALA 416 CO 0.17 0.75 -0.12 2.35 0.00 0.00 0.00 179.25 182.39 4req h TRP 417 N 0.33 -0.31 -0.50 0.00 2.91 -0.89 -1.26 115.95 116.23 4req h TRP 417 Ca -0.10 0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.04 4req h TRP 417 Cb 1.61 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 30.36 4req h TRP 417 CO 0.08 -0.19 0.35 -0.22 -1.03 0.00 0.00 178.44 177.43 4req h LYS 418 N -0.25 0.16 0.00 2.65 3.64 -1.61 0.58 116.57 121.73 4req h LYS 418 Ca 0.01 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 4req h LYS 418 Cb 0.26 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 4req h LYS 418 CO -0.06 0.10 -0.96 1.49 -2.27 0.00 0.00 179.45 177.75 4req h GLU 419 N 0.16 0.00 0.03 1.90 4.57 -1.47 -2.66 114.58 117.12 4req h GLU 419 Ca 0.24 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 4req h GLU 419 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 4req h GLU 419 CO -0.04 0.64 -0.01 0.35 -1.18 0.00 0.00 179.01 178.77 4req h PHE 420 N 0.00 -0.04 -0.11 0.92 3.57 -0.02 -1.73 116.94 119.53 4req h PHE 420 Ca -0.06 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.46 4req h PHE 420 Cb 1.63 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.35 4req h PHE 420 CO 0.00 0.40 -0.04 1.96 -2.23 0.00 0.00 178.31 178.40 4req h GLN 421 N -0.48 -0.02 -0.56 1.11 4.20 -1.01 0.13 115.11 118.48 4req h GLN 421 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 4req h GLN 421 Cb 0.45 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 4req h GLN 421 CO 0.01 -0.01 0.22 1.49 -0.67 0.00 0.00 178.83 179.86 4req h GLU 422 N -0.02 0.40 -0.67 1.46 4.57 -1.39 0.32 114.58 119.24 4req h GLU 422 Ca 0.06 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 4req h GLU 422 Cb 0.11 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 4req h GLU 422 CO -0.13 0.26 0.33 0.28 -1.18 0.00 0.00 179.01 178.58 4req h VAL 423 N 0.41 1.22 -0.22 0.32 2.07 -0.93 -2.72 116.25 116.40 4req h VAL 423 Ca 0.27 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 4req h VAL 423 Cb 0.30 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 4req h VAL 423 CO -0.26 0.26 0.07 -0.33 0.02 0.00 0.00 177.57 177.32 4req h GLU 424 N 0.93 0.35 -0.92 1.57 4.39 0.22 0.41 114.58 121.52 4req h GLU 424 Ca 0.23 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.91 4req h GLU 424 Cb 0.10 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 4req h GLU 424 CO -0.03 0.44 0.60 -0.22 -1.16 0.00 0.00 179.01 178.64 4req h LYS 425 N 0.19 1.06 0.00 2.33 1.63 -0.27 -1.72 116.57 119.79 4req h LYS 425 Ca 0.07 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 4req h LYS 425 Cb 0.23 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 4req h LYS 425 CO -0.00 0.70 0.00 1.28 -3.45 0.00 0.00 179.45 177.98 4req n LEU 426 N -4.47 0.00 0.00 5.20 4.77 -1.04 -4.87 117.00 116.59 4req n LEU 426 Ca 0.13 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 4req n LEU 426 Cb 0.16 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 4req n LEU 426 CO 0.33 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 4req n GLY 427 N 0.88 1.07 0.00 -0.72 0.00 -0.65 -4.83 105.19 100.94 4req n GLY 427 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 4req n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 428 N -0.19 1.62 0.35 -0.02 0.00 0.14 -4.75 105.19 102.35 4req n GLY 428 Ca 0.00 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.96 4req n GLY 428 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 4req h MET 429 N 0.00 0.85 -0.17 1.61 4.05 -1.78 -2.57 114.93 116.92 4req h MET 429 Ca 0.00 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 4req h MET 429 Cb 0.00 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 4req h MET 429 CO 0.00 0.56 0.05 0.77 0.23 0.00 0.00 176.91 178.53 4req h SER 430 N 0.88 0.06 -0.17 1.39 0.02 -1.93 -2.32 113.55 111.48 4req h SER 430 Ca 0.28 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 4req h SER 430 Cb 0.03 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 4req h SER 430 CO -0.08 0.06 0.09 0.11 -1.14 0.00 0.00 176.83 175.87 4req h LYS 431 N 0.14 0.24 -0.79 3.45 1.79 -1.83 -2.58 116.57 116.99 4req h LYS 431 Ca 0.07 -0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.67 4req h LYS 431 Cb 0.05 -0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 30.50 4req h LYS 431 CO -0.08 0.25 -0.23 0.00 -1.08 0.00 0.00 179.45 178.31 4req h ALA 432 N 0.98 0.42 -0.46 3.86 0.00 -1.02 0.36 119.26 123.39 4req h ALA 432 Ca 0.06 0.29 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 4req h ALA 432 Cb 0.08 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 4req h ALA 432 CO -0.01 -0.46 0.06 0.28 0.00 0.00 0.00 179.25 179.12 4req h VAL 433 N -0.02 1.25 -0.23 0.00 2.07 -1.42 -3.15 116.25 114.75 4req h VAL 433 Ca 0.36 -0.95 -0.18 0.00 0.82 0.00 0.00 66.70 66.75 4req h VAL 433 Cb 0.58 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 4req h VAL 433 CO -0.82 0.33 -0.57 0.24 0.02 0.00 0.00 177.57 176.77 4req h MET 434 N 0.64 0.73 0.00 1.57 2.07 -0.52 -3.45 114.93 115.97 4req h MET 434 Ca 0.14 -0.47 0.00 0.00 -2.07 0.00 0.00 59.70 57.30 4req h MET 434 Cb 0.42 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.21 4req h MET 434 CO 0.01 1.10 0.00 2.41 1.07 0.00 0.00 176.91 181.50 4req n THR 435 N -3.98 0.00 1.00 2.22 -1.04 0.10 -4.99 114.28 107.60 4req n THR 435 Ca -0.04 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.09 4req n THR 435 Cb 0.63 -1.26 0.14 0.00 -1.82 0.00 0.00 70.33 68.01 4req n THR 435 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 4req n GLU 436 N -0.55 2.29 0.10 -2.82 -0.58 -1.26 -4.70 120.64 113.12 4req n GLU 436 Ca 0.00 -1.88 -0.06 0.00 -0.42 0.00 0.00 57.16 54.80 4req n GLU 436 Cb 0.00 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 4req n GLU 436 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 4req h HIS 437 N 4.52 -0.48 -0.04 -0.32 2.76 -1.91 0.22 115.15 119.91 4req h HIS 437 Ca 0.00 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 4req h HIS 437 Cb 0.96 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 30.07 4req h HIS 437 CO 0.01 -0.23 -0.33 0.28 -1.30 0.00 0.00 177.93 176.36 4req h VAL 438 N -0.35 0.00 -0.69 5.26 2.07 -1.83 -1.54 116.25 119.18 4req h VAL 438 Ca -0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 4req h VAL 438 Cb 0.30 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.95 4req h VAL 438 CO -0.02 0.00 -0.04 0.74 0.02 0.00 0.00 177.57 178.27 4req h THR 439 N -0.38 0.39 -0.65 2.57 2.02 -1.85 -1.18 112.91 113.82 4req h THR 439 Ca 0.01 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.17 4req h THR 439 Cb 0.43 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 4req h THR 439 CO -0.24 0.01 0.43 0.50 0.37 0.00 0.00 175.52 176.59 4req h LYS 440 N 0.08 0.85 -0.44 6.66 3.64 0.30 -0.85 116.57 126.81 4req h LYS 440 Ca 0.36 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 4req h LYS 440 Cb 0.60 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 4req h LYS 440 CO -0.63 0.56 0.08 0.28 -2.27 0.00 0.00 179.45 177.47 4req h VAL 441 N 0.87 1.24 -0.65 2.00 2.07 -0.61 -2.47 116.25 118.70 4req h VAL 441 Ca 0.24 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 4req h VAL 441 Cb -0.10 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 4req h VAL 441 CO -0.05 0.30 0.15 -0.07 0.02 0.00 0.00 177.57 177.93 4req h LEU 442 N 0.58 0.96 -0.34 2.57 3.38 -1.05 -1.95 115.31 119.45 4req h LEU 442 Ca 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 4req h LEU 442 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 4req h LEU 442 CO 0.01 0.93 0.19 0.44 0.09 0.00 0.00 178.44 180.09 4req h ASP 443 N 0.97 0.43 -0.39 -0.43 3.32 -1.01 0.16 116.42 119.48 4req h ASP 443 Ca 0.21 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 4req h ASP 443 Cb 0.35 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 4req h ASP 443 CO 0.00 0.40 0.05 0.00 -1.72 0.00 0.00 179.24 177.97 4req h ALA 444 N 1.05 0.51 0.38 3.45 0.00 -1.26 0.22 119.26 123.61 4req h ALA 444 Ca 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 4req h ALA 444 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 4req h ALA 444 CO -0.02 0.24 -0.18 0.00 0.00 0.00 0.00 179.25 179.29 4req h ASN 446 N -0.66 0.79 0.11 0.00 2.35 -0.62 -1.27 115.58 116.28 4req h ASN 446 Ca -0.05 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.48 4req h ASN 446 Cb 0.48 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 4req h ASN 446 CO 0.09 0.59 -0.71 0.00 -1.65 0.00 0.00 177.43 175.75 4req h ALA 447 N 1.55 0.54 -0.22 -0.83 0.00 -0.49 -1.95 119.26 117.85 4req h ALA 447 Ca 0.25 -0.59 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 4req h ALA 447 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.66 4req h ALA 447 CO -0.05 0.73 -0.62 1.49 0.00 0.00 0.00 179.25 180.80 4req h GLU 448 N 0.37 0.77 -0.47 0.00 4.57 -1.27 -3.01 114.58 115.55 4req h GLU 448 Ca -0.03 -0.53 -0.13 0.00 -1.18 0.00 0.00 59.36 57.49 4req h GLU 448 Cb 1.30 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.95 4req h GLU 448 CO 0.13 1.15 -0.22 -0.09 -1.18 0.00 0.00 179.01 178.81 4req h ARG 449 N 0.57 0.96 -0.75 1.92 2.43 -1.26 -2.88 114.38 115.36 4req h ARG 449 Ca -0.01 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 4req h ARG 449 Cb 1.22 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 4req h ARG 449 CO 0.13 1.07 0.43 0.00 -1.51 0.00 0.00 179.97 180.10 4req h ALA 450 N 0.91 0.96 -0.25 2.80 0.00 -1.38 -1.00 119.26 121.31 4req h ALA 450 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 4req h ALA 450 Cb 0.79 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 4req h ALA 450 CO 0.07 0.45 -0.03 -0.22 0.00 0.00 0.00 179.25 179.52 4req h LYS 451 N 1.04 0.46 -0.68 0.00 3.11 -1.49 -2.07 116.57 116.94 4req h LYS 451 Ca 0.27 -0.16 -0.06 0.00 -2.81 0.00 0.00 60.65 57.89 4req h LYS 451 Cb -0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 4req h LYS 451 CO -0.05 0.66 0.20 0.00 -2.81 0.00 0.00 179.45 177.45 4req h ARG 452 N 0.22 1.05 -0.13 1.90 3.08 -1.28 -0.36 114.38 118.86 4req h ARG 452 Ca 0.07 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 4req h ARG 452 Cb 0.47 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 4req h ARG 452 CO 0.02 0.90 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.72 4req h LEU 453 N 1.01 0.26 -1.06 3.04 3.38 -1.18 -0.62 115.31 120.14 4req h LEU 453 Ca 0.22 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 4req h LEU 453 Cb 0.30 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 4req h LEU 453 CO -0.01 0.56 -0.10 0.00 0.09 0.00 0.00 178.44 178.99 4req h ALA 454 N 0.70 1.22 -0.08 1.53 0.00 -1.20 -3.01 119.26 118.43 4req h ALA 454 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 4req h ALA 454 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 4req h ALA 454 CO 0.01 0.51 0.00 0.27 0.00 0.00 0.00 179.25 180.04 4req n ASN 455 N -4.21 2.45 -0.99 0.00 0.23 -0.16 -1.20 115.26 111.38 4req n ASN 455 Ca 0.01 -1.81 -0.10 0.00 -0.53 0.00 0.00 54.58 52.15 4req n ASN 455 Cb 0.32 -0.04 -0.02 0.00 -2.08 0.00 0.00 39.78 37.96 4req n ASN 455 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 4req n ARG 456 N 0.90 -0.77 0.10 -3.83 1.74 -0.76 -4.36 116.66 109.68 4req n ARG 456 Ca 0.16 0.66 0.13 0.00 -0.77 0.00 0.00 57.85 58.04 4req n ARG 456 Cb 0.50 -4.67 0.39 0.00 -1.02 0.00 0.00 32.46 27.66 4req n ARG 456 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 4req n LYS 457 N -2.31 0.26 -3.63 5.56 5.02 -0.31 -3.48 118.16 119.27 4req n LYS 457 Ca -0.11 0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 56.11 4req n LYS 457 Cb 0.47 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.58 4req n LYS 457 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 4req s GLN 458 N -3.11 1.61 0.68 1.97 0.74 -1.10 -5.00 119.66 115.45 4req s GLN 458 Ca 0.10 -2.66 -0.12 0.00 0.05 0.00 0.00 55.36 52.74 4req s GLN 458 Cb 0.12 -2.33 -0.00 0.00 1.10 0.00 0.00 33.01 31.90 4req s GLN 458 CO 0.61 -1.34 1.06 -1.25 -0.55 0.00 0.00 175.29 173.82 4req s PRO 459 N -0.61 3.01 -0.19 1.67 0.04 -1.23 -4.18 135.00 133.51 4req s PRO 459 Ca 0.29 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.33 4req s PRO 459 Cb -0.01 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.57 4req s PRO 459 CO -0.18 -1.05 -0.15 0.42 0.04 0.00 0.00 177.00 176.08 4req s ILE 460 N -2.95 1.86 0.15 0.56 1.01 -1.26 -5.01 121.20 115.56 4req s ILE 460 Ca 0.59 -0.96 -0.33 0.00 0.00 0.00 0.00 60.65 59.96 4req s ILE 460 Cb -0.14 -1.78 -0.12 0.00 0.01 0.00 0.00 42.46 40.42 4req s ILE 460 CO 0.52 0.37 1.72 0.41 0.00 0.00 0.00 174.94 177.97 4req n THR 461 N 4.65 0.15 -1.04 2.92 -1.04 -1.26 -1.00 114.28 117.65 4req n THR 461 Ca -0.18 -0.03 -0.01 0.00 -2.04 0.00 0.00 64.05 61.79 4req n THR 461 Cb 0.48 -1.87 -0.01 0.00 -1.82 0.00 0.00 70.33 67.11 4req n THR 461 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 4req n ALA 462 N 4.48 -0.02 0.04 2.41 0.00 -0.69 -4.74 120.51 121.99 4req n ALA 462 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.64 4req n ALA 462 Cb 0.33 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.86 4req n ALA 462 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 4req n VAL 463 N -2.46 0.64 0.48 0.00 0.31 -1.05 -4.30 118.33 111.96 4req n VAL 463 Ca -0.01 0.21 0.09 0.00 -0.01 0.00 0.00 64.34 64.62 4req n VAL 463 Cb 0.30 -1.21 -0.12 0.00 -0.91 0.00 0.00 33.84 31.89 4req n VAL 463 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 4req n SER 464 N -3.10 0.76 -4.04 4.52 3.41 -0.17 -4.54 113.62 110.47 4req n SER 464 Ca 0.00 -0.52 -0.27 0.00 -0.26 0.00 0.00 58.87 57.82 4req n SER 464 Cb 0.00 1.39 -0.17 0.00 -0.26 0.00 0.00 64.21 65.18 4req n SER 464 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 4req s GLU 465 N -3.01 1.96 -1.14 4.33 0.41 -1.09 -4.87 118.70 115.29 4req s GLU 465 Ca 0.01 -0.48 -0.28 0.00 -0.41 0.00 0.00 54.97 53.81 4req s GLU 465 Cb 0.13 -1.65 0.03 0.00 -1.78 0.00 0.00 34.13 30.86 4req s GLU 465 CO 0.78 -0.02 0.68 1.19 -0.49 0.00 0.00 175.26 177.40 4req n PHE 466 N 4.05 -1.57 -2.03 1.61 3.72 -1.26 -1.71 117.46 120.27 4req n PHE 466 Ca -0.20 0.24 -0.28 0.00 -0.05 0.00 0.00 57.45 57.16 4req n PHE 466 Cb 0.51 -2.86 0.07 0.00 -0.94 0.00 0.00 39.48 36.27 4req n PHE 466 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 4req s PRO 467 N -6.84 2.21 -0.06 -1.08 0.04 -1.26 -4.40 135.00 123.62 4req s PRO 467 Ca 0.41 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.46 4req s PRO 467 Cb -0.22 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.30 4req s PRO 467 CO 0.95 -1.35 0.02 1.41 0.04 0.00 0.00 177.00 178.06 4req s MET 468 N -5.41 0.37 0.12 4.56 1.75 -1.26 -4.94 119.30 114.50 4req s MET 468 Ca 0.60 0.18 -0.31 0.00 -1.25 0.00 0.00 55.69 54.91 4req s MET 468 Cb -0.11 -0.77 -0.09 0.00 2.84 0.00 0.00 34.83 36.70 4req s MET 468 CO 0.48 -0.29 1.49 0.42 -0.65 0.00 0.00 175.02 176.47 4req s ILE 469 N 1.90 3.02 0.00 10.11 1.01 -1.26 -2.07 121.20 133.91 4req s ILE 469 Ca 0.03 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.38 4req s ILE 469 Cb -0.12 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.90 4req s ILE 469 CO -0.04 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.56 4req n GLY 470 N 3.66 0.52 3.72 6.18 0.00 -1.26 -5.02 105.19 112.99 4req n GLY 470 Ca 0.13 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 4req n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req n ALA 471 N 0.35 1.69 -1.73 4.61 0.00 -0.88 -4.84 120.51 119.72 4req n ALA 471 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 4req n ALA 471 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 4req n ALA 471 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 4req n ARG 472 N 0.89 2.51 -1.30 0.00 0.63 -1.26 -4.62 116.66 113.51 4req n ARG 472 Ca 0.05 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 4req n ARG 472 Cb 0.36 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.65 4req n ARG 472 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 4req n SER 473 N 1.86 1.94 -3.79 6.15 2.88 -1.26 -4.17 113.62 117.23 4req n SER 473 Ca 0.08 -0.66 -0.13 0.00 -1.33 0.00 0.00 58.87 56.84 4req n SER 473 Cb 0.36 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.71 4req n SER 473 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 4req s ILE 474 N -0.27 0.03 0.41 2.46 2.07 -1.26 -5.04 121.20 119.59 4req s ILE 474 Ca 0.00 -0.24 -0.25 0.00 -1.41 0.00 0.00 60.65 58.75 4req s ILE 474 Cb 0.00 -0.45 -0.08 0.00 0.13 0.00 0.00 42.46 42.06 4req s ILE 474 CO 0.00 -0.13 1.21 -1.61 -1.91 0.00 0.00 174.94 172.50 4req s GLU 475 N -0.48 3.98 0.12 3.50 0.41 -1.26 -5.04 118.70 119.93 4req s GLU 475 Ca -0.06 1.92 -0.07 0.00 -0.41 0.00 0.00 54.97 56.35 4req s GLU 475 Cb -0.04 -2.66 -0.01 0.00 -1.78 0.00 0.00 34.13 29.64 4req s GLU 475 CO 0.02 -0.41 0.19 0.95 -0.49 0.00 0.00 175.26 175.52 4req s THR 476 N -1.38 0.11 -0.09 3.63 -4.23 -1.26 -4.58 115.64 107.83 4req s THR 476 Ca 0.58 -1.43 -0.16 0.00 -1.18 0.00 0.00 61.69 59.50 4req s THR 476 Cb -0.33 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 4req s THR 476 CO 0.41 -0.51 0.42 -0.54 -0.54 0.00 0.00 174.62 173.86 4req s LYS 477 N -3.94 4.21 0.66 3.99 1.02 0.95 -4.86 119.74 121.78 4req s LYS 477 Ca 0.13 0.37 -0.17 0.00 0.02 0.00 0.00 55.97 56.32 4req s LYS 477 Cb 0.05 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 4req s LYS 477 CO -0.04 0.32 0.94 -2.30 -0.92 0.00 0.00 175.35 173.34 4req n PRO 478 N 3.15 0.69 -2.74 -1.68 -0.02 -1.26 0.29 135.00 133.42 4req n PRO 478 Ca -0.10 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 4req n PRO 478 Cb 0.52 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 4req n PRO 478 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 4req s PHE 479 N -1.66 3.89 0.33 6.00 0.08 -1.26 -4.60 117.98 120.75 4req s PHE 479 Ca 0.75 1.85 -0.29 0.00 0.12 0.00 0.00 56.93 59.36 4req s PHE 479 Cb -0.38 -3.02 -0.12 0.00 -0.57 0.00 0.00 43.02 38.93 4req s PHE 479 CO 0.49 0.31 1.39 -2.30 -0.10 0.00 0.00 175.22 175.01 4req n PRO 480 N 2.25 2.31 -1.51 0.24 -0.02 -1.26 -4.87 135.00 132.13 4req n PRO 480 Ca 0.00 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 61.91 4req n PRO 480 Cb 0.48 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 4req n PRO 480 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 4req n ALA 481 N 0.82 -0.76 -2.79 3.55 0.00 -1.26 -4.86 120.51 115.20 4req n ALA 481 Ca 0.05 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 4req n ALA 481 Cb 0.36 -1.91 -0.13 0.00 0.00 0.00 0.00 19.45 17.77 4req n ALA 481 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4req s ALA 482 N -1.63 2.77 0.04 0.00 0.00 -1.26 -4.54 121.76 117.15 4req s ALA 482 Ca 0.70 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 51.45 4req s ALA 482 Cb -0.46 -1.20 -0.07 0.00 0.00 0.00 0.00 23.12 21.39 4req s ALA 482 CO 0.53 0.40 1.54 -2.14 0.00 0.00 0.00 175.76 176.08 4req s PRO 483 N -0.20 4.24 0.59 0.00 0.02 -1.26 -4.96 135.00 133.44 4req s PRO 483 Ca 0.01 2.17 -0.18 0.00 0.02 0.00 0.00 61.00 63.03 4req s PRO 483 Cb -0.13 -3.56 -0.08 0.00 0.02 0.00 0.00 34.50 30.74 4req s PRO 483 CO 0.03 -0.65 0.50 0.00 -0.33 0.00 0.00 177.00 176.54 4req n ALA 484 N 5.40 -1.27 -2.44 -1.55 0.00 -1.26 -5.03 120.51 114.36 4req n ALA 484 Ca 0.14 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 4req n ALA 484 Cb 0.42 -1.82 -0.11 0.00 0.00 0.00 0.00 19.45 17.94 4req n ALA 484 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 4req s ARG 485 N -2.15 1.12 -0.01 0.00 0.52 -1.26 -5.06 118.95 112.11 4req s ARG 485 Ca 0.68 -1.34 0.15 0.00 -0.52 0.00 0.00 55.73 54.70 4req s ARG 485 Cb -0.43 -1.00 -0.19 0.00 0.52 0.00 0.00 34.95 33.85 4req s ARG 485 CO 0.55 0.19 0.52 1.63 0.02 0.00 0.00 175.30 178.21 4req n LYS 486 N 0.30 1.43 0.00 3.54 4.76 -1.20 -5.00 118.16 121.99 4req n LYS 486 Ca -0.14 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 4req n LYS 486 Cb 0.58 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 4req n LYS 486 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 4req n GLY 487 N 1.46 -0.33 3.69 0.72 0.00 -1.17 -4.65 105.19 104.90 4req n GLY 487 Ca 0.01 -1.66 -0.61 0.00 0.00 0.00 0.00 46.02 43.76 4req n GLY 487 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4req n LEU 488 N 0.00 1.64 -4.77 0.99 4.77 -0.98 -4.93 117.00 113.72 4req n LEU 488 Ca 0.00 1.13 -0.38 0.00 -0.03 0.00 0.00 56.01 56.72 4req n LEU 488 Cb 0.00 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 4req n LEU 488 CO 0.00 -0.80 0.81 0.00 -1.33 0.00 0.00 177.39 176.07 4req s ALA 489 N 2.62 3.21 -0.30 -1.18 0.00 -1.26 -4.92 121.76 119.93 4req s ALA 489 Ca 0.98 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 53.84 4req s ALA 489 Cb -1.23 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 18.61 4req s ALA 489 CO 0.68 -0.37 -0.01 -1.58 0.00 0.00 0.00 175.76 174.48 4req s TRP 490 N -1.40 3.33 -0.11 0.00 0.52 -1.26 -4.01 118.94 116.01 4req s TRP 490 Ca 0.54 -2.12 -0.02 0.00 0.02 0.00 0.00 56.10 54.52 4req s TRP 490 Cb -0.29 -2.21 0.04 0.00 -1.15 0.00 0.00 33.47 29.85 4req s TRP 490 CO 0.37 -0.85 0.01 -1.01 0.02 0.00 0.00 176.95 175.49 4req s HIS 491 N 1.18 0.84 0.72 -1.98 3.76 -1.22 -5.02 115.29 113.57 4req s HIS 491 Ca -0.04 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 4req s HIS 491 Cb -0.20 -0.90 0.03 0.00 1.11 0.00 0.00 32.58 32.62 4req s HIS 491 CO -0.03 -0.43 1.17 1.03 -0.85 0.00 0.00 174.74 175.63 4req s ARG 492 N 1.92 2.27 0.35 1.40 0.52 -1.26 -4.90 118.95 119.25 4req s ARG 492 Ca 0.03 1.63 0.02 0.00 -0.52 0.00 0.00 55.73 56.90 4req s ARG 492 Cb -0.14 -1.86 0.65 0.00 0.52 0.00 0.00 34.95 34.12 4req s ARG 492 CO -0.06 -1.71 2.01 -0.44 0.02 0.00 0.00 175.30 175.12 4req h ASP 493 N -0.29 0.72 0.58 0.23 3.32 -1.18 -2.94 116.42 116.86 4req h ASP 493 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 4req h ASP 493 Cb 1.28 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.65 4req h ASP 493 CO 0.51 0.52 0.00 -1.54 -1.72 0.00 0.00 179.24 177.00 4req n SER 494 N -4.44 0.00 -0.33 6.45 3.41 -1.26 -4.24 113.62 113.21 4req n SER 494 Ca 0.07 -0.10 0.09 0.00 -0.26 0.00 0.00 58.87 58.67 4req n SER 494 Cb 0.05 -0.30 0.26 0.00 -0.26 0.00 0.00 64.21 63.96 4req n SER 494 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 4req h GLU 495 N 0.00 0.76 -0.86 4.33 5.08 -1.88 -0.29 114.58 121.72 4req h GLU 495 Ca 0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 4req h GLU 495 Cb 0.29 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 4req h GLU 495 CO 0.00 0.50 0.55 -0.24 -1.00 0.00 0.00 179.01 178.82 4req h VAL 496 N 0.78 1.10 -0.08 3.13 3.04 -1.83 -2.13 116.25 120.27 4req h VAL 496 Ca 0.51 -0.36 -0.20 0.00 -1.01 0.00 0.00 66.70 65.65 4req h VAL 496 Cb 0.68 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 29.93 4req h VAL 496 CO -0.34 0.19 -0.77 -0.26 -1.01 0.00 0.00 177.57 175.38 4req h PHE 497 N 1.04 0.63 -0.11 3.17 0.04 -1.55 -3.16 116.94 117.00 4req h PHE 497 Ca 0.36 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 4req h PHE 497 Cb 0.07 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 4req h PHE 497 CO -0.02 1.06 -0.14 0.93 -0.60 0.00 0.00 178.31 179.54 4req h GLU 498 N 0.30 0.17 0.00 1.51 5.08 -0.66 -1.92 114.58 119.07 4req h GLU 498 Ca -0.04 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 4req h GLU 498 Cb 1.36 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 4req h GLU 498 CO 0.14 0.32 -0.70 1.96 -1.00 0.00 0.00 179.01 179.73 4req h GLN 499 N 0.17 0.00 -0.20 2.33 4.20 -1.41 -0.48 115.11 119.72 4req h GLN 499 Ca 0.03 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 4req h GLN 499 Cb 0.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 4req h GLN 499 CO 0.02 0.70 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.61 4req h LEU 500 N 0.00 0.52 -1.22 1.46 3.38 -1.40 -2.15 115.31 115.91 4req h LEU 500 Ca -0.01 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.50 4req h LEU 500 Cb 1.29 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 4req h LEU 500 CO 0.09 0.90 0.54 0.24 0.09 0.00 0.00 178.44 180.30 4req h MET 501 N 0.15 1.02 -0.62 1.13 2.86 -1.31 -2.44 114.93 115.72 4req h MET 501 Ca 0.03 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 4req h MET 501 Cb 0.76 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 4req h MET 501 CO 0.05 0.68 0.25 -0.44 1.06 0.00 0.00 176.91 178.51 4req h ASP 502 N 1.05 0.85 -0.01 1.22 3.32 -0.88 -1.33 116.42 120.65 4req h ASP 502 Ca 0.31 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.21 4req h ASP 502 Cb -0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 4req h ASP 502 CO -0.08 0.79 -0.07 0.03 -1.72 0.00 0.00 179.24 178.18 4req h ARG 503 N 0.87 -0.12 0.00 3.56 3.08 -0.90 -1.72 114.38 119.14 4req h ARG 503 Ca 0.21 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 4req h ARG 503 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 4req h ARG 503 CO -0.02 -0.08 -0.34 0.77 -1.07 0.00 0.00 179.97 179.23 4req h SER 504 N -0.12 0.00 0.21 7.04 0.02 -1.35 -2.90 113.55 116.45 4req h SER 504 Ca 0.03 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 4req h SER 504 Cb 0.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 4req h SER 504 CO -0.09 0.34 -0.58 0.74 -1.14 0.00 0.00 176.83 176.10 4req h THR 505 N 0.00 1.35 -0.80 -2.27 2.02 -1.07 -3.31 112.91 108.83 4req h THR 505 Ca -0.00 -1.89 -0.00 0.00 0.77 0.00 0.00 66.41 65.28 4req h THR 505 Cb 0.61 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.88 4req h THR 505 CO 0.04 0.57 0.48 0.77 0.37 0.00 0.00 175.52 177.76 4req h SER 506 N 0.29 0.95 -4.32 4.18 4.64 -1.09 -3.45 113.55 114.75 4req h SER 506 Ca -0.00 -0.05 -0.51 0.00 -0.47 0.00 0.00 61.79 60.76 4req h SER 506 Cb 1.10 -0.24 0.08 0.00 -0.31 0.00 0.00 62.40 63.03 4req h SER 506 CO 0.10 0.73 0.38 -0.69 -0.87 0.00 0.00 176.83 176.48 4req s VAL 507 N -5.82 4.19 -0.09 0.95 1.01 -1.25 -5.01 120.40 114.39 4req s VAL 507 Ca -0.11 0.76 0.16 0.00 0.00 0.00 0.00 61.98 62.78 4req s VAL 507 Cb 0.17 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 33.10 4req s VAL 507 CO 0.80 -0.88 1.49 0.77 0.00 0.00 0.00 175.10 177.28 4req h SER 508 N -0.42 0.00 -3.25 3.32 4.64 -1.89 -3.43 113.55 112.52 4req h SER 508 Ca -0.44 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 4req h SER 508 Cb 1.21 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.92 4req h SER 508 CO 0.58 0.49 -0.79 -0.70 -0.87 0.00 0.00 176.83 175.54 4req s GLU 509 N -3.06 1.33 0.11 4.77 -6.30 -1.26 -5.10 118.70 109.19 4req s GLU 509 Ca 0.03 -0.31 -0.34 0.00 -2.50 0.00 0.00 54.97 51.85 4req s GLU 509 Cb 0.08 -1.68 -0.14 0.00 0.00 0.00 0.00 34.13 32.39 4req s GLU 509 CO 0.74 -0.35 1.63 -2.13 0.02 0.00 0.00 175.26 175.17 4req n ARG 510 N 4.95 2.12 -1.48 4.30 0.63 -1.26 -4.91 116.66 121.00 4req n ARG 510 Ca -0.11 0.77 -0.36 0.00 -0.92 0.00 0.00 57.85 57.23 4req n ARG 510 Cb 0.49 -2.55 0.09 0.00 0.45 0.00 0.00 32.46 30.94 4req n ARG 510 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 4req n PRO 511 N 4.04 0.74 -3.80 -0.14 -0.02 -1.26 -4.76 135.00 129.80 4req n PRO 511 Ca 0.18 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 4req n PRO 511 Cb 0.29 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.21 4req n PRO 511 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 4req s LYS 512 N -3.61 0.65 -0.11 -0.52 -2.85 -1.26 -0.51 119.74 111.53 4req s LYS 512 Ca 0.79 -0.35 0.04 0.00 -1.00 0.00 0.00 55.97 55.44 4req s LYS 512 Cb -0.35 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.70 4req s LYS 512 CO 0.45 -0.18 -0.23 0.08 0.10 0.00 0.00 175.35 175.57 4req s VAL 513 N -1.69 1.98 -0.07 1.79 1.01 -0.56 -4.51 120.40 118.36 4req s VAL 513 Ca -0.11 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 4req s VAL 513 Cb -0.05 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 4req s VAL 513 CO 0.01 0.54 0.76 0.12 0.00 0.00 0.00 175.10 176.54 4req s PHE 514 N 0.47 3.57 -0.47 5.22 5.36 0.18 -3.37 117.98 128.94 4req s PHE 514 Ca -0.16 1.32 -0.20 0.00 -0.96 0.00 0.00 56.93 56.92 4req s PHE 514 Cb -0.17 -2.89 0.03 0.00 -0.34 0.00 0.00 43.02 39.66 4req s PHE 514 CO 0.06 0.02 0.66 -0.51 -1.46 0.00 0.00 175.22 173.99 4req s LEU 515 N 1.04 4.61 -1.09 6.12 1.43 0.18 -0.42 118.68 130.54 4req s LEU 515 Ca 0.40 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 4req s LEU 515 Cb -0.18 -2.65 0.17 0.00 0.03 0.00 0.00 46.19 43.56 4req s LEU 515 CO 0.19 -0.84 1.27 0.00 0.23 0.00 0.00 176.35 177.20 4req s ALA 516 N 2.84 3.89 0.01 4.21 0.00 0.13 -1.82 121.76 131.01 4req s ALA 516 Ca 0.21 -3.23 -0.30 0.00 0.00 0.00 0.00 51.96 48.64 4req s ALA 516 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 4req s ALA 516 CO 0.17 -2.75 0.96 0.00 0.00 0.00 0.00 175.76 174.14 4req s LEU 518 N 0.85 3.07 0.00 0.00 1.43 -0.57 -0.92 118.68 122.54 4req s LEU 518 Ca 0.51 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 4req s LEU 518 Cb -0.21 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.18 4req s LEU 518 CO 0.28 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.69 4req n GLY 519 N 1.07 -0.73 4.01 -3.19 0.00 -1.26 -3.94 105.19 101.14 4req n GLY 519 Ca -0.14 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 4req n GLY 519 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4req s THR 520 N 0.00 2.27 0.32 2.61 -4.23 -1.26 -3.94 115.64 111.41 4req s THR 520 Ca 0.00 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 4req s THR 520 Cb 0.00 -2.43 0.20 0.00 1.34 0.00 0.00 72.50 71.60 4req s THR 520 CO 0.00 0.00 1.91 -0.09 -0.54 0.00 0.00 174.62 175.90 4req h ARG 521 N -0.02 0.77 -0.75 3.99 2.43 -1.92 -2.13 114.38 116.75 4req h ARG 521 Ca -0.34 -0.11 0.10 0.00 -0.81 0.00 0.00 59.98 58.82 4req h ARG 521 Cb 1.28 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 4req h ARG 521 CO 0.42 0.63 0.49 -0.09 -1.51 0.00 0.00 179.97 179.91 4req h ARG 522 N 0.76 0.63 0.03 0.20 2.43 -1.98 -0.35 114.38 116.11 4req h ARG 522 Ca 0.18 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 4req h ARG 522 Cb 0.15 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 4req h ARG 522 CO -0.02 0.41 -0.75 -0.44 -1.51 0.00 0.00 179.97 177.66 4req h ASP 523 N 0.65 0.11 0.39 -3.80 3.32 -1.73 -3.41 116.42 111.95 4req h ASP 523 Ca 0.35 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.59 4req h ASP 523 Cb 0.49 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.00 4req h ASP 523 CO -0.13 1.31 -0.47 2.22 -1.72 0.00 0.00 179.24 180.46 4req n PHE 524 N -4.38 0.00 -0.10 4.55 1.16 -0.86 -2.13 117.46 115.70 4req n PHE 524 Ca -0.20 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.31 4req n PHE 524 Cb 0.66 -0.20 -0.01 0.00 -1.61 0.00 0.00 39.48 38.32 4req n PHE 524 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 4req h GLY 525 N 4.98 -0.12 0.23 4.97 0.00 -1.29 0.41 103.07 112.25 4req h GLY 525 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 4req h GLY 525 CO 0.00 -0.21 -0.48 -1.33 0.00 0.00 0.00 176.54 174.52 4req h GLY 526 N -0.22 -1.19 1.39 4.60 0.00 -1.83 -1.43 103.07 104.39 4req h GLY 526 Ca 0.17 0.61 -0.06 0.00 0.00 0.00 0.00 47.33 48.06 4req h GLY 526 CO -0.49 -0.31 0.06 3.21 0.00 0.00 0.00 176.54 179.01 4req h ARG 527 N -0.77 0.76 -0.28 4.80 -0.00 -1.83 -2.72 114.38 114.33 4req h ARG 527 Ca -0.02 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.98 59.22 4req h ARG 527 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.59 4req h ARG 527 CO -0.19 0.73 -0.08 1.49 0.00 0.00 0.00 179.97 181.91 4req h GLU 528 N 0.72 0.55 -0.82 0.04 4.22 -0.81 -1.44 114.58 117.04 4req h GLU 528 Ca 0.15 -0.22 0.13 0.00 0.08 0.00 0.00 59.36 59.51 4req h GLU 528 Cb 0.35 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 4req h GLU 528 CO 0.01 0.76 0.53 0.78 -2.18 0.00 0.00 179.01 178.91 4req h GLY 529 N 0.30 1.00 0.01 1.92 0.00 -1.03 -1.99 103.07 103.29 4req h GLY 529 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 4req h GLY 529 CO 0.03 0.11 -0.00 -2.75 0.00 0.00 0.00 176.54 173.92 4req h PHE 530 N 0.62 -0.01 -0.29 5.60 3.57 -1.42 -3.40 116.94 121.61 4req h PHE 530 Ca 0.40 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 4req h PHE 530 Cb 0.67 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 4req h PHE 530 CO -0.00 0.48 0.07 0.77 -2.23 0.00 0.00 178.31 177.39 4req h SER 531 N -1.00 0.44 -0.29 0.41 0.02 -1.15 -3.24 113.55 108.75 4req h SER 531 Ca -0.00 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 4req h SER 531 Cb 0.49 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.84 4req h SER 531 CO 0.00 0.56 -0.55 -1.28 -1.14 0.00 0.00 176.83 174.42 4req h SER 532 N 0.30 -1.80 -0.45 3.07 0.87 -1.60 -1.49 113.55 112.45 4req h SER 532 Ca 0.09 0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 4req h SER 532 Cb 0.30 0.72 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 4req h SER 532 CO 0.00 -0.44 0.30 -0.65 -0.53 0.00 0.00 176.83 175.52 4req h PRO 533 N -0.47 0.55 0.01 2.24 0.11 -1.78 -2.52 132.00 130.15 4req h PRO 533 Ca 0.05 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.14 4req h PRO 533 Cb 0.63 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 4req h PRO 533 CO -0.52 0.37 -0.07 0.28 -0.21 0.00 0.00 178.00 177.84 4req h VAL 534 N 0.57 0.82 -0.85 3.15 2.07 -1.30 -2.50 116.25 118.21 4req h VAL 534 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 4req h VAL 534 Cb -0.00 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 4req h VAL 534 CO -0.04 0.00 0.56 -0.50 0.02 0.00 0.00 177.57 177.61 4req h TRP 535 N -0.13 1.07 0.00 1.57 4.06 -1.17 -2.76 115.95 118.58 4req h TRP 535 Ca 0.02 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 4req h TRP 535 Cb 0.16 -0.36 -0.00 0.00 -1.00 0.00 0.00 29.16 27.96 4req h TRP 535 CO -0.13 0.67 -0.13 0.45 -3.56 0.00 0.00 178.44 175.74 4req h HIS 536 N 1.15 0.00 -0.52 0.49 3.86 -1.04 -2.81 115.15 116.27 4req h HIS 536 Ca 0.31 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.62 4req h HIS 536 Cb -0.13 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.25 4req h HIS 536 CO 0.00 0.13 0.01 0.82 0.86 0.00 0.00 177.93 179.75 4req h ILE 537 N 0.00 0.59 -0.00 2.45 2.04 -1.20 -2.04 117.51 119.35 4req h ILE 537 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 4req h ILE 537 Cb 0.41 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 4req h ILE 537 CO 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 178.15 178.14 4req n ALA 538 N -2.69 2.67 -1.70 1.87 0.00 -1.21 -4.48 120.51 114.97 4req n ALA 538 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.26 4req n ALA 538 Cb 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.34 4req n ALA 538 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 539 N 1.20 0.54 3.61 0.00 0.00 -0.77 -3.85 105.19 105.92 4req n GLY 539 Ca 0.17 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 4req n GLY 539 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4req s ILE 540 N -2.00 5.14 0.76 -0.61 1.01 -1.06 -4.56 121.20 119.88 4req s ILE 540 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 60.65 61.15 4req s ILE 540 Cb 0.00 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.78 4req s ILE 540 CO 0.00 0.12 1.14 -1.81 0.00 0.00 0.00 174.94 174.40 4req s ASP 541 N 1.62 4.24 -0.55 3.58 1.01 0.33 -3.85 116.67 123.06 4req s ASP 541 Ca 0.17 2.11 0.05 0.00 0.71 0.00 0.00 52.55 55.59 4req s ASP 541 Cb -0.16 -2.56 0.19 0.00 1.01 0.00 0.00 42.92 41.40 4req s ASP 541 CO 0.10 -2.22 0.47 0.35 0.21 0.00 0.00 175.17 174.07 4req n THR 542 N -3.13 0.33 -1.92 -1.27 -2.24 -1.26 -1.49 114.28 103.30 4req n THR 542 Ca 0.11 -4.24 -0.36 0.00 -2.27 0.00 0.00 64.05 57.29 4req n THR 542 Cb 0.52 -1.94 0.05 0.00 -2.10 0.00 0.00 70.33 66.85 4req n THR 542 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 4req s PRO 543 N -0.95 2.83 0.27 -0.78 0.04 -1.22 -4.67 135.00 130.53 4req s PRO 543 Ca 0.31 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 4req s PRO 543 Cb 0.04 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.68 4req s PRO 543 CO -0.16 -1.34 0.54 1.14 0.04 0.00 0.00 177.00 177.23 4req s GLN 544 N -3.35 1.66 -0.02 4.56 -2.07 -1.26 0.49 119.66 119.67 4req s GLN 544 Ca 0.79 -1.25 0.04 0.00 -1.82 0.00 0.00 55.36 53.13 4req s GLN 544 Cb -0.33 0.51 -0.01 0.00 -1.09 0.00 0.00 33.01 32.09 4req s GLN 544 CO 0.35 -0.71 -0.14 0.54 -1.32 0.00 0.00 175.29 174.01 4req s VAL 545 N -3.83 1.10 -1.16 3.63 0.11 -0.76 -4.93 120.40 114.56 4req s VAL 545 Ca 0.20 -0.58 -0.08 0.00 -2.93 0.00 0.00 61.98 58.59 4req s VAL 545 Cb -0.02 -0.92 0.25 0.00 -1.53 0.00 0.00 36.38 34.15 4req s VAL 545 CO 0.10 0.31 1.47 -0.62 -3.33 0.00 0.00 175.10 173.03 4req n GLU 546 N 2.85 3.87 0.00 1.54 1.02 -1.26 -2.73 120.64 125.92 4req n GLU 546 Ca -0.15 -4.19 0.00 0.00 -0.02 0.00 0.00 57.16 52.80 4req n GLU 546 Cb 0.55 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 4req n GLU 546 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4req n GLY 547 N 2.46 -0.21 0.00 0.62 0.00 -0.10 -4.91 105.19 103.04 4req n GLY 547 Ca 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.29 4req n GLY 547 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 548 N 0.00 -1.69 3.77 -0.02 0.00 -1.26 -4.57 105.19 101.42 4req n GLY 548 Ca 0.00 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 4req n GLY 548 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4req s THR 549 N -0.45 1.94 0.18 2.61 -4.23 -1.26 -4.75 115.64 109.68 4req s THR 549 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 4req s THR 549 Cb 0.00 -2.72 0.09 0.00 1.34 0.00 0.00 72.50 71.22 4req s THR 549 CO 0.00 0.00 1.74 0.74 -0.54 0.00 0.00 174.62 176.56 4req h THR 550 N -1.71 1.24 0.76 3.99 2.02 -1.98 -0.87 112.91 116.35 4req h THR 550 Ca -0.49 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.92 4req h THR 550 Cb 1.32 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 4req h THR 550 CO 0.55 0.29 -0.48 0.00 0.37 0.00 0.00 175.52 176.25 4req h ALA 551 N 1.11 -1.26 -0.67 6.16 0.00 -1.99 -1.44 119.26 121.17 4req h ALA 551 Ca 0.21 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.01 4req h ALA 551 Cb 0.20 0.60 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 4req h ALA 551 CO -0.02 -1.22 -0.28 0.93 0.00 0.00 0.00 179.25 178.66 4req h GLU 552 N -1.16 -0.09 0.29 0.00 5.08 -1.87 0.30 114.58 117.13 4req h GLU 552 Ca -0.10 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 4req h GLU 552 Cb 0.94 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 4req h GLU 552 CO 0.09 -0.06 -0.26 0.82 -1.00 0.00 0.00 179.01 178.61 4req h ILE 553 N -0.09 0.45 -0.97 3.13 2.04 -1.03 -1.73 117.51 119.32 4req h ILE 553 Ca 0.28 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.19 4req h ILE 553 Cb 0.55 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 4req h ILE 553 CO -0.72 0.00 0.63 0.58 0.00 0.00 0.00 178.15 178.63 4req h VAL 554 N -0.57 1.15 -0.52 1.67 2.07 -0.57 -0.33 116.25 119.15 4req h VAL 554 Ca -0.01 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 4req h VAL 554 Cb 0.51 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 4req h VAL 554 CO -0.04 0.22 0.11 -0.08 0.02 0.00 0.00 177.57 177.80 4req h GLU 555 N 1.20 0.84 -0.05 1.57 4.57 -0.80 -0.19 114.58 121.71 4req h GLU 555 Ca 0.39 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 4req h GLU 555 Cb 0.04 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 4req h GLU 555 CO -0.13 0.81 0.03 0.00 -1.18 0.00 0.00 179.01 178.54 4req h ALA 556 N 0.99 0.07 -0.16 2.92 0.00 -0.90 -1.15 119.26 121.02 4req h ALA 556 Ca 0.16 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.08 4req h ALA 556 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 4req h ALA 556 CO 0.01 -0.41 -0.10 0.35 0.00 0.00 0.00 179.25 179.09 4req h PHE 557 N 0.03 -0.25 -0.06 0.00 3.57 -0.83 -0.41 116.94 118.98 4req h PHE 557 Ca 0.02 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.56 4req h PHE 557 Cb 0.04 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 4req h PHE 557 CO -0.06 -0.16 -0.04 0.87 -2.23 0.00 0.00 178.31 176.69 4req h LYS 558 N -0.10 -0.04 -1.00 1.11 1.57 -0.81 -2.84 116.57 114.46 4req h LYS 558 Ca 0.10 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 4req h LYS 558 Cb 0.24 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 4req h LYS 558 CO -0.23 -0.03 0.65 -0.22 -0.57 0.00 0.00 179.45 179.06 4req h LYS 559 N -0.04 1.13 -0.15 3.15 1.63 -0.97 -3.05 116.57 118.26 4req h LYS 559 Ca 0.04 -0.07 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 4req h LYS 559 Cb 0.10 -0.25 -0.07 0.00 -0.60 0.00 0.00 32.23 31.41 4req h LYS 559 CO -0.09 0.75 -0.32 0.66 -3.45 0.00 0.00 179.45 177.00 4req h SER 560 N 1.16 -1.00 0.00 4.20 4.64 -0.82 -3.47 113.55 118.26 4req h SER 560 Ca 0.44 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 4req h SER 560 Cb 0.19 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 4req h SER 560 CO -0.18 -0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.04 4req n GLY 561 N -1.41 0.66 3.81 -0.77 0.00 -1.16 -5.08 105.19 101.24 4req n GLY 561 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 4req n GLY 561 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 562 N -2.00 2.74 -0.16 4.61 0.00 -1.26 -4.97 121.76 120.72 4req s ALA 562 Ca 0.00 0.26 0.14 0.00 0.00 0.00 0.00 51.96 52.37 4req s ALA 562 Cb 0.00 -3.20 -0.21 0.00 0.00 0.00 0.00 23.12 19.71 4req s ALA 562 CO 0.00 -0.92 0.38 1.04 0.00 0.00 0.00 175.76 176.26 4req n GLN 563 N -2.41 0.86 -5.22 0.00 6.02 -1.26 -4.91 117.38 110.46 4req n GLN 563 Ca 0.08 -0.10 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 4req n GLN 563 Cb 0.53 -1.30 -0.16 0.00 1.02 0.00 0.00 30.24 30.33 4req n GLN 563 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 4req s VAL 564 N -2.86 1.95 0.08 5.09 1.01 -1.26 0.24 120.40 124.65 4req s VAL 564 Ca -0.03 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 60.99 4req s VAL 564 Cb 0.10 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 4req s VAL 564 CO 0.60 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 176.05 4req s ALA 565 N -0.41 1.67 -0.15 5.51 0.00 -0.86 -0.65 121.76 126.87 4req s ALA 565 Ca 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.88 4req s ALA 565 Cb -0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 4req s ALA 565 CO 0.01 0.34 -0.15 0.34 0.00 0.00 0.00 175.76 176.30 4req s ASP 566 N -1.59 3.71 -0.12 0.00 -1.08 0.44 -0.08 116.67 117.96 4req s ASP 566 Ca 0.05 -0.45 -0.24 0.00 -0.52 0.00 0.00 52.55 51.40 4req s ASP 566 Cb -0.09 -1.57 -0.03 0.00 -1.46 0.00 0.00 42.92 39.77 4req s ASP 566 CO 0.03 0.10 0.73 -0.76 0.52 0.00 0.00 175.17 175.79 4req s LEU 567 N 0.75 4.25 -0.13 -1.34 1.43 0.97 -0.70 118.68 123.91 4req s LEU 567 Ca -0.06 1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 4req s LEU 567 Cb -0.15 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 43.00 4req s LEU 567 CO 0.01 -0.23 -0.01 0.00 0.23 0.00 0.00 176.35 176.35 4req n SER 569 N 5.03 -1.34 -4.59 0.00 2.88 -1.26 -1.51 113.62 112.83 4req n SER 569 Ca -0.09 -1.49 -0.29 0.00 -1.33 0.00 0.00 58.87 55.67 4req n SER 569 Cb 0.49 2.13 0.13 0.00 -0.75 0.00 0.00 64.21 66.21 4req n SER 569 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 4req s SER 570 N -3.53 3.97 0.21 -3.46 1.04 -0.90 -4.78 113.70 106.24 4req s SER 570 Ca 0.26 0.52 -0.08 0.00 0.48 0.00 0.00 55.95 57.12 4req s SER 570 Cb -0.02 -0.84 0.15 0.00 0.10 0.00 0.00 66.02 65.42 4req s SER 570 CO 0.02 -2.21 1.79 0.00 0.98 0.00 0.00 173.24 173.81 4req h ALA 571 N -1.24 1.02 -0.32 5.32 0.00 -1.90 -2.53 119.26 119.60 4req h ALA 571 Ca -0.45 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 4req h ALA 571 Cb 1.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 4req h ALA 571 CO 0.54 0.61 -0.07 -0.22 0.00 0.00 0.00 179.25 180.10 4req h LYS 572 N 1.12 0.53 0.00 0.00 3.64 -1.94 -2.11 116.57 117.80 4req h LYS 572 Ca 0.27 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 4req h LYS 572 Cb 0.16 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 4req h LYS 572 CO -0.03 0.61 -0.89 0.28 -2.27 0.00 0.00 179.45 177.16 4req h VAL 573 N 0.50 0.76 -0.16 2.00 2.07 -1.90 -2.66 116.25 116.86 4req h VAL 573 Ca 0.10 -2.18 -0.08 0.00 0.82 0.00 0.00 66.70 65.36 4req h VAL 573 Cb 0.44 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 4req h VAL 573 CO 0.02 0.43 -0.21 1.88 0.02 0.00 0.00 177.57 179.71 4req h TYR 574 N 0.00 0.51 0.55 1.57 0.05 -1.21 0.28 116.97 118.72 4req h TYR 574 Ca -0.07 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 4req h TYR 574 Cb 1.48 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 39.11 4req h TYR 574 CO 0.00 0.83 -0.37 0.00 -1.05 0.00 0.00 178.16 177.57 4req h ALA 575 N 0.59 -1.16 -0.85 3.88 0.00 -1.21 0.07 119.26 120.58 4req h ALA 575 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 4req h ALA 575 Cb 0.77 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.07 4req h ALA 575 CO 0.05 -1.14 0.00 1.04 0.00 0.00 0.00 179.25 179.20 4req n GLN 576 N -4.72 0.00 0.00 0.00 6.02 -1.00 -4.32 117.38 113.36 4req n GLN 576 Ca -0.11 0.52 0.11 0.00 -0.01 0.00 0.00 57.00 57.51 4req n GLN 576 Cb 0.37 -1.36 -0.00 0.00 1.02 0.00 0.00 30.24 30.27 4req n GLN 576 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 4req n GLN 577 N -1.85 1.02 0.00 -1.09 6.02 0.08 -4.80 117.38 116.76 4req n GLN 577 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 4req n GLN 577 Cb 0.00 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.78 4req n GLN 577 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4req n GLY 578 N 1.43 -2.87 0.38 1.08 0.00 0.01 -0.90 105.19 104.32 4req n GLY 578 Ca 0.09 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 4req n GLY 578 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 4req h LEU 579 N 0.00 -1.17 -0.60 0.99 5.85 -1.87 0.40 115.31 118.92 4req h LEU 579 Ca 0.00 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.99 4req h LEU 579 Cb 0.00 0.47 -0.10 0.00 0.37 0.00 0.00 40.66 41.40 4req h LEU 579 CO 0.00 -0.42 0.04 -0.08 -0.34 0.00 0.00 178.44 177.64 4req h GLU 580 N -0.51 0.15 -0.36 1.25 4.81 -1.82 0.54 114.58 118.64 4req h GLU 580 Ca 0.06 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 4req h GLU 580 Cb 0.61 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 4req h GLU 580 CO -0.33 0.10 -0.14 0.28 -0.73 0.00 0.00 179.01 178.19 4req h VAL 581 N 0.16 1.28 0.04 0.32 2.07 -0.43 -0.09 116.25 119.61 4req h VAL 581 Ca 0.31 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.60 4req h VAL 581 Cb 0.50 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 4req h VAL 581 CO -0.48 0.41 -0.06 0.00 0.02 0.00 0.00 177.57 177.46 4req h ALA 582 N 0.80 -0.10 0.55 1.67 0.00 0.12 0.54 119.26 122.83 4req h ALA 582 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 4req h ALA 582 Cb 0.67 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.57 4req h ALA 582 CO 0.05 -0.57 -0.26 0.87 0.00 0.00 0.00 179.25 179.33 4req h LYS 583 N -0.13 -0.71 -0.39 0.00 1.57 -0.03 0.22 116.57 117.10 4req h LYS 583 Ca 0.01 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.92 4req h LYS 583 Cb 0.14 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 4req h LYS 583 CO -0.04 -0.43 -0.10 0.00 -0.57 0.00 0.00 179.45 178.31 4req h ALA 584 N -0.42 0.25 -0.47 3.86 0.00 -0.84 0.11 119.26 121.74 4req h ALA 584 Ca -0.08 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.02 4req h ALA 584 Cb 0.60 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 4req h ALA 584 CO 0.12 -0.46 0.26 -0.07 0.00 0.00 0.00 179.25 179.10 4req h LEU 585 N -0.01 0.39 -1.16 0.00 3.38 0.20 -2.27 115.31 115.84 4req h LEU 585 Ca 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 4req h LEU 585 Cb 0.30 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 4req h LEU 585 CO -0.41 0.28 0.29 0.11 0.09 0.00 0.00 178.44 178.79 4req h LYS 586 N 0.51 0.87 -0.72 1.13 1.79 0.66 -2.83 116.57 117.98 4req h LYS 586 Ca 0.20 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 4req h LYS 586 Cb 0.07 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 4req h LYS 586 CO -0.12 0.68 0.25 0.00 -1.08 0.00 0.00 179.45 179.19 4req h ALA 587 N 1.45 1.08 0.00 3.86 0.00 -0.39 -3.18 119.26 122.07 4req h ALA 587 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 4req h ALA 587 Cb 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.61 4req h ALA 587 CO -0.03 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.86 4req n ALA 588 N -2.44 2.29 0.00 0.00 0.00 -0.89 -4.86 120.51 114.60 4req n ALA 588 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 4req n ALA 588 Cb 0.21 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.38 4req n ALA 588 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 589 N 0.33 1.57 3.37 0.00 0.00 -1.20 -4.97 105.19 104.29 4req n GLY 589 Ca 0.13 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.61 4req n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req n ALA 590 N -0.47 0.64 -0.08 4.61 0.00 -1.17 -4.84 120.51 119.20 4req n ALA 590 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 4req n ALA 590 Cb 0.00 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.17 4req n ALA 590 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 4req h LYS 591 N 11.19 0.76 -3.59 0.00 3.64 -0.58 -3.45 116.57 124.55 4req h LYS 591 Ca -0.18 -0.34 -0.18 0.00 -1.27 0.00 0.00 60.65 58.68 4req h LYS 591 Cb 1.36 -0.02 -0.24 0.00 -0.41 0.00 0.00 32.23 32.92 4req h LYS 591 CO 1.09 0.95 -0.59 0.00 -2.27 0.00 0.00 179.45 178.63 4req s ALA 592 N -4.50 -0.20 -0.09 5.00 0.00 -1.19 -5.03 121.76 115.76 4req s ALA 592 Ca -0.09 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.88 4req s ALA 592 Cb 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.23 4req s ALA 592 CO 0.84 -0.12 -0.16 -0.51 0.00 0.00 0.00 175.76 175.82 4req s LEU 593 N -0.66 1.76 0.17 0.00 1.43 -1.26 -2.02 118.68 118.11 4req s LEU 593 Ca -0.07 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 4req s LEU 593 Cb -0.04 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 4req s LEU 593 CO 0.00 0.06 -0.06 -0.31 0.23 0.00 0.00 176.35 176.26 4req s TYR 594 N 0.70 2.71 -0.10 0.29 1.51 0.89 -1.34 117.35 122.01 4req s TYR 594 Ca -0.13 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 4req s TYR 594 Cb -0.16 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.37 4req s TYR 594 CO 0.03 0.51 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.61 4req s LEU 595 N -2.81 1.94 -0.86 -1.29 2.96 -0.52 -0.02 118.68 118.08 4req s LEU 595 Ca 0.25 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.50 4req s LEU 595 Cb -0.09 -1.24 0.14 0.00 0.50 0.00 0.00 46.19 45.51 4req s LEU 595 CO 0.16 0.10 0.99 -0.44 -1.32 0.00 0.00 176.35 175.85 4req s SER 596 N 0.56 6.59 0.00 3.68 0.01 0.04 -1.10 113.70 123.48 4req s SER 596 Ca -0.15 -2.06 0.00 0.00 1.31 0.00 0.00 55.95 55.05 4req s SER 596 Cb -0.17 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.71 4req s SER 596 CO 0.05 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.33 4req n GLY 597 N 5.12 0.45 3.89 3.44 0.00 -0.99 -4.58 105.19 112.53 4req n GLY 597 Ca 0.17 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 4req n GLY 597 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 598 N -1.02 3.77 -0.35 4.61 0.00 -1.26 -4.60 121.76 122.90 4req s ALA 598 Ca 0.00 -1.29 0.27 0.00 0.00 0.00 0.00 51.96 50.94 4req s ALA 598 Cb 0.00 -1.53 0.79 0.00 0.00 0.00 0.00 23.12 22.38 4req s ALA 598 CO 0.00 0.30 1.76 0.74 0.00 0.00 0.00 175.76 178.55 4req h PHE 599 N 1.50 0.00 0.00 0.00 0.04 -1.98 -3.24 116.94 113.25 4req h PHE 599 Ca -0.50 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.23 4req h PHE 599 Cb 1.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 4req h PHE 599 CO 0.51 0.00 -0.19 1.57 -0.60 0.00 0.00 178.31 179.60 4req h LYS 600 N 0.00 0.00 0.00 1.51 2.10 -1.92 -3.19 116.57 115.07 4req h LYS 600 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 4req h LYS 600 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 4req h LYS 600 CO 0.00 0.19 0.00 0.39 -2.00 0.00 0.00 179.45 178.03 4req n GLU 601 N -3.88 0.12 0.06 0.07 1.02 -1.22 -1.70 120.64 115.11 4req n GLU 601 Ca -0.02 0.59 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 4req n GLU 601 Cb 0.28 -1.87 0.21 0.00 -0.02 0.00 0.00 31.44 30.05 4req n GLU 601 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 4req n PHE 602 N -2.12 0.58 0.00 -0.32 3.01 -1.20 -2.78 117.46 114.62 4req n PHE 602 Ca -0.01 0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.62 4req n PHE 602 Cb 0.05 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 38.84 4req n PHE 602 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 4req n GLY 603 N 1.34 3.39 0.33 1.37 0.00 -0.69 -2.42 105.19 108.51 4req n GLY 603 Ca 0.04 0.25 0.21 0.00 0.00 0.00 0.00 46.02 46.52 4req n GLY 603 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4req h ASP 604 N 0.00 0.00 -0.11 1.61 3.32 -1.95 -2.31 116.42 116.97 4req h ASP 604 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 4req h ASP 604 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 4req h ASP 604 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 4req n ASP 605 N -3.27 1.71 -0.11 6.45 8.00 -1.02 -4.60 116.55 123.72 4req n ASP 605 Ca -0.03 -1.65 -0.05 0.00 0.71 0.00 0.00 54.79 53.77 4req n ASP 605 Cb 0.08 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 4req n ASP 605 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4req h ALA 606 N 4.20 0.27 0.41 2.24 0.00 -1.57 0.37 119.26 125.18 4req h ALA 606 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 4req h ALA 606 Cb 0.53 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.59 4req h ALA 606 CO 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 179.25 178.61 4req h ALA 607 N 1.37 -0.55 0.00 0.00 0.00 -1.84 -2.13 119.26 116.11 4req h ALA 607 Ca 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.95 4req h ALA 607 Cb 0.27 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 4req h ALA 607 CO -0.37 -0.70 -0.31 0.93 0.00 0.00 0.00 179.25 178.79 4req h GLU 608 N -0.76 -0.45 -0.76 0.00 5.08 -1.82 -2.85 114.58 113.02 4req h GLU 608 Ca -0.06 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 4req h GLU 608 Cb 0.53 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.75 4req h GLU 608 CO 0.09 -0.30 -0.43 0.00 -1.00 0.00 0.00 179.01 177.37 4req h ALA 609 N 0.28 -0.18 -0.85 3.43 0.00 -0.25 -2.32 119.26 119.39 4req h ALA 609 Ca 0.06 0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.35 4req h ALA 609 Cb 0.55 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.22 4req h ALA 609 CO -0.26 -0.77 0.26 1.49 0.00 0.00 0.00 179.25 179.97 4req h GLU 610 N -0.12 0.27 -0.80 0.00 4.22 -1.13 -1.74 114.58 115.27 4req h GLU 610 Ca 0.23 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.71 4req h GLU 610 Cb 0.55 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 4req h GLU 610 CO -0.81 0.18 0.52 0.87 -2.18 0.00 0.00 179.01 177.59 4req h LYS 611 N 0.28 0.90 0.07 1.92 1.57 -1.43 -2.99 116.57 116.88 4req h LYS 611 Ca 0.52 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 59.00 4req h LYS 611 Cb 0.98 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 4req h LYS 611 CO -0.58 0.59 -1.10 -0.07 -0.57 0.00 0.00 179.45 177.72 4req h LEU 612 N 0.92 0.30 -9.23 2.94 3.38 -1.41 -3.46 115.31 108.76 4req h LEU 612 Ca 0.33 -0.30 -0.58 0.00 0.09 0.00 0.00 57.88 57.42 4req h LEU 612 Cb 0.14 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 4req h LEU 612 CO -0.11 1.20 -0.00 -0.63 0.09 0.00 0.00 178.44 178.99 4req s ILE 613 N -2.81 5.10 -2.67 1.22 1.01 -0.96 -4.48 121.20 117.60 4req s ILE 613 Ca -0.03 1.10 0.25 0.00 0.00 0.00 0.00 60.65 61.98 4req s ILE 613 Cb 0.08 -3.90 0.38 0.00 0.01 0.00 0.00 42.46 39.03 4req s ILE 613 CO 0.86 0.22 1.48 0.47 0.00 0.00 0.00 174.94 177.97 4req n ASP 614 N 4.32 2.40 0.00 3.58 9.92 -0.45 -4.88 116.55 131.44 4req n ASP 614 Ca -0.04 -1.80 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 4req n ASP 614 Cb 0.51 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 4req n ASP 614 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 4req n GLY 615 N 1.29 1.37 3.21 0.44 0.00 -1.22 -4.97 105.19 105.31 4req n GLY 615 Ca 0.17 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 4req n GLY 615 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4req s ARG 616 N -2.00 1.06 -0.18 1.61 0.52 -1.26 -1.44 118.95 117.26 4req s ARG 616 Ca 0.00 -0.95 -0.04 0.00 -0.52 0.00 0.00 55.73 54.22 4req s ARG 616 Cb 0.00 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 34.28 4req s ARG 616 CO 0.00 0.28 -0.03 -0.51 0.02 0.00 0.00 175.30 175.06 4req s LEU 617 N -1.49 3.17 -0.03 2.53 1.43 -0.26 -4.93 118.68 119.10 4req s LEU 617 Ca 0.03 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 4req s LEU 617 Cb -0.09 -1.78 0.09 0.00 0.03 0.00 0.00 46.19 44.44 4req s LEU 617 CO 0.02 0.11 0.78 0.72 0.23 0.00 0.00 176.35 178.21 4req s PHE 618 N 0.70 -0.51 0.07 0.29 -0.71 -1.26 -2.34 117.98 114.21 4req s PHE 618 Ca -0.02 0.69 -0.33 0.00 -1.04 0.00 0.00 56.93 56.23 4req s PHE 618 Cb -0.14 0.47 -0.12 0.00 -1.21 0.00 0.00 43.02 42.01 4req s PHE 618 CO 0.02 -0.58 1.73 -0.12 -1.34 0.00 0.00 175.22 174.93 4req n MET 619 N 0.41 2.29 -0.58 1.99 0.00 -1.26 -1.55 117.12 118.42 4req n MET 619 Ca -0.15 0.83 0.00 0.00 -0.00 0.00 0.00 57.70 58.39 4req n MET 619 Cb 0.60 -2.65 0.00 0.00 0.00 0.00 0.00 33.22 31.16 4req n MET 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 4req n GLY 620 N 3.92 0.67 3.89 -5.12 0.00 -1.26 -5.07 105.19 102.22 4req n GLY 620 Ca 0.19 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 4req n GLY 620 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 4req s MET 621 N -0.83 2.92 -0.47 1.61 0.00 -0.59 -4.90 119.30 117.03 4req s MET 621 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 55.69 55.87 4req s MET 621 Cb 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 34.83 32.79 4req s MET 621 CO 0.00 -0.94 0.69 0.34 0.00 0.00 0.00 175.02 175.11 4req s ASP 622 N -4.34 6.31 0.16 -1.18 -1.08 -1.26 -4.15 116.67 111.13 4req s ASP 622 Ca 0.57 -0.46 0.04 0.00 -0.52 0.00 0.00 52.55 52.19 4req s ASP 622 Cb -0.11 -2.33 -0.03 0.00 -1.46 0.00 0.00 42.92 38.99 4req s ASP 622 CO 0.51 -0.88 1.37 -0.37 0.52 0.00 0.00 175.17 176.32 4req h VAL 623 N 5.90 1.54 0.72 1.11 -1.51 -1.51 -2.86 116.25 119.65 4req h VAL 623 Ca -0.26 -2.78 -0.03 0.00 -1.23 0.00 0.00 66.70 62.40 4req h VAL 623 Cb 1.09 2.55 -0.00 0.00 -2.13 0.00 0.00 31.29 32.80 4req h VAL 623 CO 0.94 0.80 -0.41 0.58 -1.23 0.00 0.00 177.57 178.26 4req h VAL 624 N 0.07 0.17 0.06 7.19 2.07 -1.91 0.10 116.25 124.00 4req h VAL 624 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 4req h VAL 624 Cb 1.54 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 4req h VAL 624 CO 0.13 0.00 -0.51 -0.78 0.02 0.00 0.00 177.57 176.43 4req h ASP 625 N -1.05 -1.55 -0.20 0.57 3.58 -1.91 0.24 116.42 116.10 4req h ASP 625 Ca -0.09 0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.58 4req h ASP 625 Cb 0.83 0.58 -0.06 0.00 1.72 0.00 0.00 39.33 42.40 4req h ASP 625 CO 0.12 -0.51 -0.18 0.74 -2.88 0.00 0.00 179.24 176.53 4req h THR 626 N -0.68 0.52 -0.73 2.25 2.02 -1.46 -1.80 112.91 113.04 4req h THR 626 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 4req h THR 626 Cb 0.70 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 4req h THR 626 CO -0.31 0.00 0.27 -0.07 0.37 0.00 0.00 175.52 175.78 4req h LEU 627 N -0.19 1.01 -0.27 2.58 3.38 -0.43 -0.85 115.31 120.54 4req h LEU 627 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 4req h LEU 627 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 4req h LEU 627 CO -0.31 0.91 0.04 0.77 0.09 0.00 0.00 178.44 179.95 4req h SER 628 N 1.06 0.43 -0.46 -0.43 4.64 -0.74 -2.05 113.55 116.00 4req h SER 628 Ca 0.24 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 4req h SER 628 Cb 0.24 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 4req h SER 628 CO -0.02 0.58 0.29 -1.28 -0.87 0.00 0.00 176.83 175.54 4req h SER 629 N 0.27 0.50 -0.72 4.97 0.87 -1.23 -1.42 113.55 116.78 4req h SER 629 Ca 0.08 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 4req h SER 629 Cb 0.33 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 4req h SER 629 CO 0.01 0.36 0.45 0.74 -0.53 0.00 0.00 176.83 177.85 4req h THR 630 N 0.60 1.20 -0.65 2.23 2.02 -1.03 -0.22 112.91 117.06 4req h THR 630 Ca 0.18 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 4req h THR 630 Cb -0.04 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 4req h THR 630 CO -0.06 0.20 0.12 -0.07 0.37 0.00 0.00 175.52 176.09 4req h LEU 631 N 0.98 1.01 0.66 2.58 3.38 -1.11 -1.31 115.31 121.50 4req h LEU 631 Ca 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 4req h LEU 631 Cb -0.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.43 4req h LEU 631 CO -0.05 0.99 -0.33 0.44 0.09 0.00 0.00 178.44 179.59 4req h ASP 632 N 1.00 -0.78 -0.67 -0.43 3.32 -0.62 -1.08 116.42 117.15 4req h ASP 632 Ca 0.20 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.39 4req h ASP 632 Cb 0.41 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.09 4req h ASP 632 CO 0.01 -0.55 0.28 0.40 -1.72 0.00 0.00 179.24 177.66 4req h ILE 633 N -0.90 0.76 0.00 0.35 2.04 -0.92 -2.48 117.51 116.36 4req h ILE 633 Ca -0.09 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.61 4req h ILE 633 Cb 0.69 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 4req h ILE 633 CO 0.14 0.08 0.00 0.18 0.00 0.00 0.00 178.15 178.55 4req n LEU 634 N -4.97 0.00 0.00 1.44 4.77 -0.51 -4.88 117.00 112.85 4req n LEU 634 Ca 0.11 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 4req n LEU 634 Cb 0.31 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 4req n LEU 634 CO 0.22 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 4req n GLY 635 N -0.19 0.84 3.72 -0.72 0.00 -0.93 -5.06 105.19 102.84 4req n GLY 635 Ca 0.05 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 4req n GLY 635 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 636 N -2.00 4.79 0.88 1.61 1.01 -0.43 -5.01 120.40 121.25 4req s VAL 636 Ca 0.00 1.96 -0.14 0.00 0.00 0.00 0.00 61.98 63.80 4req s VAL 636 Cb 0.00 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.12 4req s VAL 636 CO 0.00 0.22 0.47 0.00 0.00 0.00 0.00 175.10 175.79 4req n ALA 637 N 3.53 -2.19 -0.30 5.51 0.00 -1.26 -4.42 120.51 121.38 4req n ALA 637 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.99 4req n ALA 637 Cb 0.51 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.13 4req n ALA 637 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67