#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4req n LEU 4 N 0.00 -5.77 -4.67 3.22 7.99 -1.26 -4.92 117.00 111.60 4req n LEU 4 Ca 0.00 -0.16 -0.40 0.00 -0.01 0.00 0.00 56.01 55.44 4req n LEU 4 Cb 0.00 -2.87 0.02 0.00 -0.11 0.00 0.00 43.42 40.46 4req n LEU 4 CO 0.00 -0.73 0.76 -0.81 -1.51 0.00 0.00 177.39 175.10 4req n PRO 5 N -1.89 1.59 -3.91 3.23 -0.04 -1.26 -5.02 135.00 127.71 4req n PRO 5 Ca -0.01 0.57 -0.35 0.00 -0.04 0.00 0.00 63.50 63.67 4req n PRO 5 Cb 0.52 -2.28 -0.14 0.00 -0.04 0.00 0.00 33.50 31.56 4req n PRO 5 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 4req s ARG 6 N -2.30 3.15 0.00 0.54 1.81 -1.26 -5.04 118.95 115.84 4req s ARG 6 Ca 0.65 -0.78 0.29 0.00 -1.72 0.00 0.00 55.73 54.17 4req s ARG 6 Cb -0.50 -3.04 1.49 0.00 -0.45 0.00 0.00 34.95 32.45 4req s ARG 6 CO 0.55 -0.30 2.03 1.19 -0.68 0.00 0.00 175.30 178.09 4req n PHE 7 N 4.76 0.00 0.22 -0.53 3.72 -1.26 -4.36 117.46 120.02 4req n PHE 7 Ca -0.17 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.33 4req n PHE 7 Cb 0.49 -0.28 0.48 0.00 -0.94 0.00 0.00 39.48 39.23 4req n PHE 7 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 4req n ASP 8 N -1.28 0.49 -0.00 4.37 5.75 -1.26 -1.67 116.55 122.95 4req n ASP 8 Ca 0.14 0.69 0.04 0.00 -0.01 0.00 0.00 54.79 55.65 4req n ASP 8 Cb 0.23 -0.77 -0.05 0.00 -1.03 0.00 0.00 41.12 39.50 4req n ASP 8 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 4req n SER 9 N -2.12 0.79 -4.73 -1.12 3.41 -1.26 -5.02 113.62 103.58 4req n SER 9 Ca -0.00 -0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 57.60 4req n SER 9 Cb 0.09 1.06 -0.04 0.00 -0.26 0.00 0.00 64.21 65.06 4req n SER 9 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 4req s VAL 10 N -1.96 4.79 0.33 -3.33 1.01 -0.67 -5.06 120.40 115.52 4req s VAL 10 Ca 0.02 1.80 -0.13 0.00 0.00 0.00 0.00 61.98 63.67 4req s VAL 10 Cb 0.07 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 4req s VAL 10 CO 0.37 0.27 0.73 -1.81 0.00 0.00 0.00 175.10 174.65 4req s ASP 11 N 0.45 6.70 0.07 3.32 1.01 -1.26 -5.00 116.67 121.97 4req s ASP 11 Ca 0.44 1.21 -0.17 0.00 0.71 0.00 0.00 52.55 54.74 4req s ASP 11 Cb -0.21 -2.35 -0.12 0.00 1.01 0.00 0.00 42.92 41.26 4req s ASP 11 CO 0.25 -0.24 1.36 0.25 0.21 0.00 0.00 175.17 177.00 4req h LEU 12 N 2.06 0.64 0.00 1.23 5.85 -1.97 -3.50 115.31 119.63 4req h LEU 12 Ca -0.48 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 57.73 4req h LEU 12 Cb 1.18 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.02 4req h LEU 12 CO 0.65 1.03 0.00 0.61 -0.34 0.00 0.00 178.44 180.39 4req n GLY 13 N 0.30 -4.11 1.46 3.75 0.00 -1.26 -4.70 105.19 100.63 4req n GLY 13 Ca -0.05 -2.04 0.01 0.00 0.00 0.00 0.00 46.02 43.94 4req n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 4req n ASN 14 N -0.14 4.22 -3.76 1.61 4.05 -1.26 -4.99 115.26 114.99 4req n ASN 14 Ca 0.00 -3.21 -0.24 0.00 0.45 0.00 0.00 54.58 51.58 4req n ASN 14 Cb 0.00 -0.65 0.00 0.00 1.23 0.00 0.00 39.78 40.36 4req n ASN 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 4req n ALA 15 N -0.37 -2.78 -1.77 5.20 0.00 -1.26 -4.88 120.51 114.66 4req n ALA 15 Ca 0.31 -0.27 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 4req n ALA 15 Cb 1.14 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 4req n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 4req s PRO 16 N -4.94 3.90 -0.30 0.00 0.04 -1.26 -4.99 135.00 127.46 4req s PRO 16 Ca 0.03 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 4req s PRO 16 Cb -0.01 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 4req s PRO 16 CO 0.89 -0.52 0.19 0.08 0.04 0.00 0.00 177.00 177.69 4req s VAL 17 N -1.32 5.18 0.85 -0.36 1.01 -1.26 -5.06 120.40 119.43 4req s VAL 17 Ca 0.59 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 4req s VAL 17 Cb -0.36 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.59 4req s VAL 17 CO 0.45 0.16 1.19 -2.16 0.00 0.00 0.00 175.10 174.75 4req s PRO 18 N 1.73 1.40 0.51 2.72 0.04 -1.26 -4.93 135.00 135.21 4req s PRO 18 Ca 0.07 1.70 0.28 0.00 0.04 0.00 0.00 61.00 63.08 4req s PRO 18 Cb -0.16 -1.75 1.36 0.00 0.04 0.00 0.00 34.50 33.98 4req s PRO 18 CO 0.10 -2.38 2.02 0.00 0.04 0.00 0.00 177.00 176.78 4req h ALA 19 N -1.24 1.19 -0.47 8.56 0.00 -2.06 -2.88 119.26 122.36 4req h ALA 19 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.34 4req h ALA 19 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 4req h ALA 19 CO 0.44 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 4req n ASP 20 N -3.53 4.90 0.35 0.00 5.75 -1.26 -4.70 116.55 118.06 4req n ASP 20 Ca -0.01 -2.87 -0.18 0.00 -0.01 0.00 0.00 54.79 51.72 4req n ASP 20 Cb 0.28 -0.61 -0.09 0.00 -1.03 0.00 0.00 41.12 39.67 4req n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4req h ALA 21 N 3.19 -0.95 -0.02 2.12 0.00 -1.88 -0.22 119.26 121.50 4req h ALA 21 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 4req h ALA 21 Cb 1.70 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 19.87 4req h ALA 21 CO 0.35 -1.04 -0.41 0.00 0.00 0.00 0.00 179.25 178.15 4req h ALA 22 N -0.62 -0.64 -0.75 0.00 0.00 -1.85 0.18 119.26 115.58 4req h ALA 22 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 4req h ALA 22 Cb 0.75 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 4req h ALA 22 CO 0.09 -0.94 0.42 0.07 0.00 0.00 0.00 179.25 178.89 4req h ARG 23 N -0.55 1.03 -0.51 0.00 0.11 -1.90 0.00 114.38 112.56 4req h ARG 23 Ca 0.05 -0.11 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 4req h ARG 23 Cb 0.64 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 4req h ARG 23 CO -0.33 0.75 -0.02 0.00 0.10 0.00 0.00 179.97 180.47 4req h ARG 24 N 1.04 0.86 0.13 0.08 3.08 -0.52 -2.24 114.38 116.82 4req h ARG 24 Ca 0.27 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 4req h ARG 24 Cb 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.97 4req h ARG 24 CO -0.05 0.88 -0.06 0.35 -1.07 0.00 0.00 179.97 180.02 4req h PHE 25 N 0.80 -0.16 -0.59 3.04 3.57 0.28 -2.15 116.94 121.73 4req h PHE 25 Ca 0.15 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.72 4req h PHE 25 Cb 0.51 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 4req h PHE 25 CO 0.03 0.03 0.26 0.93 -2.23 0.00 0.00 178.31 177.33 4req h GLU 26 N -0.34 0.46 -0.48 1.11 4.39 -0.89 0.13 114.58 118.96 4req h GLU 26 Ca -0.02 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 4req h GLU 26 Cb 0.27 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 4req h GLU 26 CO 0.03 0.30 0.19 0.93 -1.16 0.00 0.00 179.01 179.30 4req h GLU 27 N 0.47 0.72 -0.92 2.33 3.07 -1.29 -0.32 114.58 118.64 4req h GLU 27 Ca 0.28 -0.13 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 4req h GLU 27 Cb 0.29 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 4req h GLU 27 CO -0.25 0.65 0.61 -0.07 -1.40 0.00 0.00 179.01 178.55 4req h LEU 28 N 0.63 1.03 -0.38 1.33 3.38 -0.69 0.21 115.31 120.82 4req h LEU 28 Ca 0.16 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 4req h LEU 28 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 4req h LEU 28 CO -0.01 0.74 0.09 0.00 0.09 0.00 0.00 178.44 179.35 4req h ALA 29 N 1.35 0.51 -0.44 1.53 0.00 -0.45 -1.28 119.26 120.47 4req h ALA 29 Ca 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 4req h ALA 29 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 4req h ALA 29 CO -0.09 0.18 0.26 0.00 0.00 0.00 0.00 179.25 179.60 4req h ALA 30 N 0.94 0.57 -0.07 0.00 0.00 -0.72 -2.67 119.26 117.32 4req h ALA 30 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 4req h ALA 30 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 4req h ALA 30 CO 0.00 0.07 -0.21 -0.22 0.00 0.00 0.00 179.25 178.88 4req h LYS 31 N 0.59 0.11 0.00 0.00 3.64 -0.79 -2.83 116.57 117.29 4req h LYS 31 Ca 0.16 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 4req h LYS 31 Cb 0.01 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 4req h LYS 31 CO -0.03 0.33 -0.23 0.00 -2.27 0.00 0.00 179.45 177.25 4req h ALA 32 N 1.68 0.93 0.00 5.00 0.00 -0.93 -3.47 119.26 122.48 4req h ALA 32 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 4req h ALA 32 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 4req h ALA 32 CO 0.03 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.98 4req n GLY 33 N 0.55 1.38 3.66 0.00 0.00 -1.07 -5.04 105.19 104.66 4req n GLY 33 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 4req n GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 4req n THR 34 N -1.44 0.57 -0.76 2.61 -1.04 -1.03 -4.96 114.28 108.22 4req n THR 34 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 4req n THR 34 Cb 0.00 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 4req n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 4req n GLY 35 N 4.68 1.75 3.81 3.41 0.00 -1.26 -4.89 105.19 112.69 4req n GLY 35 Ca 0.24 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 4req n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4req s GLU 36 N 3.46 2.82 0.40 1.61 0.41 -1.26 -4.98 118.70 121.17 4req s GLU 36 Ca 0.00 1.00 -0.26 0.00 -0.41 0.00 0.00 54.97 55.30 4req s GLU 36 Cb 0.00 -1.97 -0.10 0.00 -1.78 0.00 0.00 34.13 30.27 4req s GLU 36 CO 0.00 -1.19 1.27 0.00 -0.49 0.00 0.00 175.26 174.85 4req n ALA 37 N -3.17 1.28 -1.99 5.21 0.00 -1.26 -4.89 120.51 115.68 4req n ALA 37 Ca 0.08 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 4req n ALA 37 Cb 0.53 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 4req n ALA 37 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 4req s TRP 38 N -1.18 3.10 -0.36 0.00 -0.00 -0.67 -4.70 118.94 115.13 4req s TRP 38 Ca 0.60 0.70 -0.12 0.00 -0.00 0.00 0.00 56.10 57.27 4req s TRP 38 Cb -0.52 -3.87 0.00 0.00 -0.00 0.00 0.00 33.47 29.08 4req s TRP 38 CO 0.59 -3.19 0.23 -2.00 -0.00 0.00 0.00 176.95 172.59 4req s GLU 39 N 1.15 3.22 0.88 5.86 2.56 -1.26 -0.07 118.70 131.03 4req s GLU 39 Ca 0.69 -0.83 -0.12 0.00 0.00 0.00 0.00 54.97 54.71 4req s GLU 39 Cb -0.42 -3.79 0.12 0.00 2.00 0.00 0.00 34.13 32.04 4req s GLU 39 CO 0.31 -0.56 1.15 0.95 -0.56 0.00 0.00 175.26 176.55 4req s THR 40 N 1.66 2.04 0.51 -1.70 -4.23 -1.04 -4.93 115.64 107.95 4req s THR 40 Ca 0.05 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 60.72 4req s THR 40 Cb -0.18 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 71.10 4req s THR 40 CO 0.09 -0.02 2.14 0.00 -0.54 0.00 0.00 174.62 176.29 4req h ALA 41 N -1.36 1.97 0.00 3.99 0.00 -1.98 -1.44 119.26 120.44 4req h ALA 41 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 4req h ALA 41 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 4req h ALA 41 CO 0.63 0.03 0.00 0.93 0.00 0.00 0.00 179.25 180.84 4req h GLU 42 N 0.05 0.00 -2.21 0.00 3.07 -1.96 -3.47 114.58 110.05 4req h GLU 42 Ca 0.01 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 4req h GLU 42 Cb -0.00 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 27.94 4req h GLU 42 CO -0.00 0.00 -0.16 1.04 -1.40 0.00 0.00 179.01 178.49 4req n GLN 43 N -2.92 -1.73 -3.91 2.33 6.02 -0.54 -4.99 117.38 111.64 4req n GLN 43 Ca 0.02 0.19 -0.35 0.00 -0.01 0.00 0.00 57.00 56.84 4req n GLN 43 Cb 0.33 -3.26 -0.14 0.00 1.02 0.00 0.00 30.24 28.20 4req n GLN 43 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 4req s ILE 44 N -3.07 3.20 0.03 5.09 1.01 -1.26 -4.95 121.20 121.25 4req s ILE 44 Ca 0.11 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 4req s ILE 44 Cb -0.05 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 4req s ILE 44 CO 0.16 0.23 1.20 -2.16 0.00 0.00 0.00 174.94 174.37 4req s PRO 45 N 1.39 4.41 -0.30 2.79 0.04 -1.26 -2.51 135.00 139.57 4req s PRO 45 Ca 0.02 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.83 4req s PRO 45 Cb -0.16 -3.40 0.07 0.00 0.04 0.00 0.00 34.50 31.05 4req s PRO 45 CO -0.03 -0.30 -0.03 0.08 0.04 0.00 0.00 177.00 176.76 4req s VAL 46 N 1.35 2.37 0.05 -0.36 1.01 0.90 -4.94 120.40 120.78 4req s VAL 46 Ca 0.58 -1.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 4req s VAL 46 Cb -0.28 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.60 4req s VAL 46 CO 0.28 -0.25 0.06 0.61 0.00 0.00 0.00 175.10 175.80 4req n GLY 47 N 4.41 -1.74 0.13 4.51 0.00 -1.26 -1.67 105.19 109.57 4req n GLY 47 Ca -0.08 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.50 4req n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 4req n THR 48 N -2.33 0.00 -3.63 2.61 -2.24 -1.26 -4.88 114.28 102.55 4req n THR 48 Ca 0.01 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 4req n THR 48 Cb 0.03 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.50 4req n THR 48 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 4req s LEU 49 N -2.73 -0.74 -0.02 3.22 2.96 -1.26 -5.16 118.68 114.95 4req s LEU 49 Ca 0.18 1.34 0.05 0.00 -0.22 0.00 0.00 54.13 55.48 4req s LEU 49 Cb 0.18 2.32 -0.03 0.00 0.50 0.00 0.00 46.19 49.17 4req s LEU 49 CO 0.60 -0.22 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.88 4req s PHE 50 N 0.73 2.62 0.26 5.38 0.08 -1.26 -5.07 117.98 120.72 4req s PHE 50 Ca -0.03 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 56.85 4req s PHE 50 Cb -0.05 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 4req s PHE 50 CO -0.06 0.17 0.15 0.09 -0.10 0.00 0.00 175.22 175.47 4req n ASN 51 N 2.15 0.36 0.34 1.36 4.13 -1.26 -4.76 115.26 117.57 4req n ASN 51 Ca -0.17 -2.53 0.19 0.00 1.68 0.00 0.00 54.58 53.76 4req n ASN 51 Cb 0.52 0.94 1.01 0.00 -1.54 0.00 0.00 39.78 40.71 4req n ASN 51 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 4req h GLU 52 N 0.00 0.00 0.00 3.52 9.09 -1.99 -3.04 114.58 122.16 4req h GLU 52 Ca -0.19 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.20 4req h GLU 52 Cb 0.84 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.94 4req h GLU 52 CO 0.30 0.00 -0.10 0.38 0.05 0.00 0.00 179.01 179.64 4req h ASP 53 N 0.00 0.00 -0.04 3.06 3.04 -2.02 -3.02 116.42 117.44 4req h ASP 53 Ca 0.00 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.73 4req h ASP 53 Cb 0.35 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.63 4req h ASP 53 CO -0.00 0.10 -0.12 -0.37 -2.04 0.00 0.00 179.24 176.80 4req h VAL 54 N 0.00 1.20 0.00 4.15 -1.51 -1.93 -3.29 116.25 114.87 4req h VAL 54 Ca -0.00 -0.88 -0.02 0.00 -1.23 0.00 0.00 66.70 64.57 4req h VAL 54 Cb 0.31 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 4req h VAL 54 CO 0.01 0.28 -0.10 1.88 -1.23 0.00 0.00 177.57 178.42 4req h TYR 55 N 0.32 0.00 -0.58 5.19 0.05 -1.79 -3.40 116.97 116.77 4req h TYR 55 Ca 0.06 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.90 4req h TYR 55 Cb 0.42 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.09 4req h TYR 55 CO 0.01 0.10 -0.34 1.17 -1.05 0.00 0.00 178.16 178.04 4req n LYS 56 N -4.12 -0.25 0.00 4.88 4.81 -1.24 -0.89 118.16 121.35 4req n LYS 56 Ca -0.03 0.92 0.14 0.00 -0.87 0.00 0.00 58.31 58.48 4req n LYS 56 Cb 0.18 -1.36 0.61 0.00 0.02 0.00 0.00 35.03 34.48 4req n LYS 56 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 4req n ASP 57 N -4.60 1.05 -4.67 3.14 8.00 -1.26 -4.85 116.55 113.35 4req n ASP 57 Ca 0.01 -1.26 -0.43 0.00 0.71 0.00 0.00 54.79 53.83 4req n ASP 57 Cb 0.15 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 4req n ASP 57 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 4req s MET 58 N -2.09 4.32 0.00 -1.24 -1.94 -0.07 -4.92 119.30 113.36 4req s MET 58 Ca 0.38 1.51 0.20 0.00 -1.71 0.00 0.00 55.69 56.07 4req s MET 58 Cb 0.21 -3.62 0.44 0.00 2.01 0.00 0.00 34.83 33.87 4req s MET 58 CO 0.37 -0.52 1.38 -0.40 -0.01 0.00 0.00 175.02 175.84 4req n ASP 59 N 5.75 3.42 -0.54 3.03 5.68 -1.26 -4.53 116.55 128.10 4req n ASP 59 Ca 0.11 -1.96 0.06 0.00 -0.50 0.00 0.00 54.79 52.50 4req n ASP 59 Cb 0.47 -0.30 0.08 0.00 -1.14 0.00 0.00 41.12 40.23 4req n ASP 59 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 4req n TRP 60 N 1.34 0.15 0.31 2.11 2.14 -1.26 -4.76 117.44 117.46 4req n TRP 60 Ca 0.19 -0.15 0.17 0.00 2.07 0.00 0.00 57.50 59.78 4req n TRP 60 Cb 0.56 -0.01 0.93 0.00 -0.81 0.00 0.00 31.31 31.98 4req n TRP 60 CO 0.00 0.00 0.00 -0.07 2.07 0.00 0.00 177.69 179.69 4req h LEU 61 N 2.29 0.00 -4.70 5.67 3.38 -1.99 -2.63 115.31 117.33 4req h LEU 61 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 4req h LEU 61 Cb 0.57 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.91 4req h LEU 61 CO 0.00 0.00 -0.96 -0.67 0.09 0.00 0.00 178.44 176.90 4req n ASP 62 N -2.83 3.18 -4.79 -0.43 2.03 -1.26 -4.92 116.55 107.53 4req n ASP 62 Ca -0.02 -3.16 -0.23 0.00 0.52 0.00 0.00 54.79 51.90 4req n ASP 62 Cb 0.21 -0.47 -0.06 0.00 -0.72 0.00 0.00 41.12 40.08 4req n ASP 62 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 4req s THR 63 N -4.34 2.55 -0.03 5.18 -4.23 -0.99 -5.14 115.64 108.63 4req s THR 63 Ca 0.38 -1.56 0.07 0.00 -1.18 0.00 0.00 61.69 59.41 4req s THR 63 Cb 0.41 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 4req s THR 63 CO -0.06 -0.03 -0.25 -0.31 -0.54 0.00 0.00 174.62 173.44 4req s TYR 64 N -2.53 2.39 0.63 3.99 2.02 -1.26 -4.99 117.35 117.60 4req s TYR 64 Ca 0.43 -0.49 -0.19 0.00 -0.37 0.00 0.00 57.07 56.46 4req s TYR 64 Cb 0.00 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 4req s TYR 64 CO 0.25 -0.07 1.31 0.00 -1.57 0.00 0.00 175.55 175.47 4req s ALA 65 N -0.50 2.48 -0.13 3.71 0.00 -1.26 -3.43 121.76 122.63 4req s ALA 65 Ca 0.07 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.28 4req s ALA 65 Cb -0.11 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.45 4req s ALA 65 CO 0.00 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.61 4req n GLY 66 N 0.87 0.49 2.93 0.00 0.00 -0.69 -4.02 105.19 104.77 4req n GLY 66 Ca 0.15 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 4req n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4req s ILE 67 N -1.90 -0.04 0.35 -0.61 1.01 -1.22 -4.69 121.20 114.10 4req s ILE 67 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.52 4req s ILE 67 Cb 0.00 -0.22 -0.12 0.00 0.01 0.00 0.00 42.46 42.13 4req s ILE 67 CO 0.00 0.06 1.16 -2.65 0.00 0.00 0.00 174.94 173.51 4req n PRO 68 N 3.94 1.75 -0.31 2.79 -0.02 -1.26 -0.75 135.00 141.13 4req n PRO 68 Ca -0.23 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 4req n PRO 68 Cb 0.53 -2.15 0.11 0.00 -0.02 0.00 0.00 33.50 31.97 4req n PRO 68 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 4req n PRO 69 N 0.45 2.06 -3.82 0.52 -0.04 -1.26 -4.97 135.00 127.92 4req n PRO 69 Ca 0.07 -0.99 -0.30 0.00 -0.04 0.00 0.00 63.50 62.24 4req n PRO 69 Cb 0.36 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 4req n PRO 69 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 4req n PHE 70 N 0.15 -2.00 -0.36 0.54 3.72 0.07 -3.48 117.46 116.11 4req n PHE 70 Ca 0.11 0.75 0.00 0.00 -0.05 0.00 0.00 57.45 58.26 4req n PHE 70 Cb 0.62 -3.42 0.14 0.00 -0.94 0.00 0.00 39.48 35.88 4req n PHE 70 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 4req h VAL 71 N -1.60 1.15 -0.00 -4.37 3.04 -1.84 -1.94 116.25 110.69 4req h VAL 71 Ca -0.54 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 4req h VAL 71 Cb 1.35 -0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 4req h VAL 71 CO 0.66 0.22 -0.11 1.41 -1.01 0.00 0.00 177.57 178.74 4req n HIS 72 N -4.48 0.00 0.00 3.17 8.25 -1.26 -4.69 115.22 116.21 4req n HIS 72 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 4req n HIS 72 Cb 0.11 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.90 4req n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4req n GLY 73 N 1.39 4.30 0.16 -1.41 0.00 -0.73 -4.36 105.19 104.55 4req n GLY 73 Ca 0.10 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.72 4req n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 4req h PRO 74 N 0.00 0.00 -6.26 1.61 0.13 -1.83 -1.83 132.00 123.82 4req h PRO 74 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 4req h PRO 74 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 4req h PRO 74 CO 0.00 0.53 -0.74 0.71 -0.23 0.00 0.00 178.00 178.27 4req s TYR 75 N -3.52 2.80 0.34 1.56 2.02 -1.26 -4.06 117.35 115.23 4req s TYR 75 Ca -0.00 -0.08 0.10 0.00 -0.37 0.00 0.00 57.07 56.71 4req s TYR 75 Cb 0.11 -1.66 0.84 0.00 -0.40 0.00 0.00 41.96 40.86 4req s TYR 75 CO 0.73 0.25 1.82 0.00 -1.57 0.00 0.00 175.55 176.78 4req h ALA 76 N 5.25 1.85 -0.00 3.71 0.00 -1.84 -2.93 119.26 125.30 4req h ALA 76 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 4req h ALA 76 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 4req h ALA 76 CO 0.51 -0.16 -0.64 0.25 0.00 0.00 0.00 179.25 179.21 4req n THR 77 N -4.64 0.00 -0.95 0.00 -2.24 -1.26 -4.67 114.28 100.52 4req n THR 77 Ca 0.21 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 4req n THR 77 Cb 0.58 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 4req n THR 77 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 4req n MET 78 N -1.23 0.00 0.16 -0.78 0.00 -1.11 -2.32 117.12 111.84 4req n MET 78 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.86 4req n MET 78 Cb 0.23 0.00 0.55 0.00 0.00 0.00 0.00 33.22 34.00 4req n MET 78 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 4req h TYR 79 N 0.00 0.00 -0.74 2.03 0.05 -1.77 -2.38 116.97 114.16 4req h TYR 79 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 4req h TYR 79 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 4req h TYR 79 CO 0.00 0.00 0.43 0.00 -1.05 0.00 0.00 178.16 177.54 4req h ALA 80 N 2.18 1.37 0.01 3.88 0.00 -1.22 -3.22 119.26 122.25 4req h ALA 80 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 54.91 54.42 4req h ALA 80 Cb 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 4req h ALA 80 CO 0.00 0.54 -2.17 0.34 0.00 0.00 0.00 179.25 177.95 4req n PHE 81 N -4.38 0.35 -3.68 0.00 7.35 -1.11 -4.99 117.46 111.00 4req n PHE 81 Ca 0.08 0.13 -0.10 0.00 -0.76 0.00 0.00 57.45 56.80 4req n PHE 81 Cb 0.08 -1.04 -0.10 0.00 0.35 0.00 0.00 39.48 38.77 4req n PHE 81 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 4req s ARG 82 N -2.48 0.42 0.85 -4.13 3.52 -0.91 -5.10 118.95 111.11 4req s ARG 82 Ca -0.35 0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 56.03 4req s ARG 82 Cb 0.11 0.07 0.10 0.00 -1.56 0.00 0.00 34.95 33.67 4req s ARG 82 CO 0.55 -0.17 1.09 -1.25 -0.81 0.00 0.00 175.30 174.70 4req s PRO 83 N 1.66 1.68 1.03 5.12 0.04 -1.26 -3.72 135.00 139.55 4req s PRO 83 Ca -0.08 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 4req s PRO 83 Cb -0.09 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.76 4req s PRO 83 CO -0.14 -1.95 0.83 -2.67 0.04 0.00 0.00 177.00 173.11 4req n TRP 84 N -3.69 -0.48 -2.96 0.56 2.14 -1.26 -4.94 117.44 106.81 4req n TRP 84 Ca 0.07 0.17 -0.41 0.00 2.07 0.00 0.00 57.50 59.41 4req n TRP 84 Cb 0.55 -1.82 -0.04 0.00 -0.81 0.00 0.00 31.31 29.19 4req n TRP 84 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 4req s THR 85 N -2.48 4.94 -0.29 -1.67 2.01 -0.13 -4.93 115.64 113.09 4req s THR 85 Ca 0.64 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.88 4req s THR 85 Cb -0.22 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 4req s THR 85 CO 0.63 0.09 1.53 -0.63 -0.69 0.00 0.00 174.62 175.54 4req s ILE 86 N 1.83 3.81 -0.33 1.82 1.01 -1.26 -1.59 121.20 126.49 4req s ILE 86 Ca 0.37 0.89 -0.01 0.00 0.00 0.00 0.00 60.65 61.90 4req s ILE 86 Cb -0.17 -3.90 0.13 0.00 0.01 0.00 0.00 42.46 38.53 4req s ILE 86 CO 0.13 -0.44 0.19 -0.60 0.00 0.00 0.00 174.94 174.23 4req s ARG 87 N 4.74 0.44 -0.16 2.79 3.52 -0.36 -1.60 118.95 128.31 4req s ARG 87 Ca 0.67 -1.05 -0.22 0.00 -0.13 0.00 0.00 55.73 54.99 4req s ARG 87 Cb -0.20 -1.22 -0.02 0.00 -1.56 0.00 0.00 34.95 31.94 4req s ARG 87 CO 0.29 -1.15 0.70 -0.65 -0.81 0.00 0.00 175.30 173.67 4req s GLN 88 N 1.41 4.29 0.11 5.12 -1.52 -1.26 -3.80 119.66 124.00 4req s GLN 88 Ca 0.15 0.78 -0.31 0.00 -1.95 0.00 0.00 55.36 54.03 4req s GLN 88 Cb -0.21 -3.55 -0.07 0.00 -0.22 0.00 0.00 33.01 28.97 4req s GLN 88 CO -0.11 -0.19 1.25 -0.47 -0.25 0.00 0.00 175.29 175.52 4req s TYR 89 N 1.71 3.38 0.06 0.91 5.04 -1.26 -3.86 117.35 123.33 4req s TYR 89 Ca 0.33 1.24 -0.26 0.00 -2.44 0.00 0.00 57.07 55.94 4req s TYR 89 Cb -0.16 -3.50 0.08 0.00 0.35 0.00 0.00 41.96 38.73 4req s TYR 89 CO 0.12 -1.56 0.70 0.00 -1.34 0.00 0.00 175.55 173.47 4req s ALA 90 N 0.78 -1.70 0.00 3.97 0.00 -0.03 -4.93 121.76 119.84 4req s ALA 90 Ca 0.59 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.38 4req s ALA 90 Cb -0.32 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.31 4req s ALA 90 CO 0.31 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.84 4req n GLY 91 N -0.02 3.56 3.57 0.00 0.00 -1.26 -1.09 105.19 109.95 4req n GLY 91 Ca -0.15 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 4req n GLY 91 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 4req s PHE 92 N -0.63 -0.54 0.00 1.61 -0.71 -1.26 -3.93 117.98 112.52 4req s PHE 92 Ca 0.00 1.03 0.00 0.00 -1.04 0.00 0.00 56.93 56.92 4req s PHE 92 Cb 0.00 0.40 0.00 0.00 -1.21 0.00 0.00 43.02 42.21 4req s PHE 92 CO 0.00 -0.43 0.00 0.45 -1.34 0.00 0.00 175.22 173.90 4req n SER 93 N 1.22 0.00 -4.93 1.98 2.88 -0.73 -4.09 113.62 109.95 4req n SER 93 Ca -0.14 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.15 4req n SER 93 Cb 0.57 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.03 4req n SER 93 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 4req s THR 94 N 0.00 4.87 0.20 2.46 -4.23 -1.26 -0.81 115.64 116.87 4req s THR 94 Ca 0.00 -0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.16 4req s THR 94 Cb 0.00 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 70.16 4req s THR 94 CO 0.00 -0.63 1.85 0.00 -0.54 0.00 0.00 174.62 175.31 4req h ALA 95 N 0.51 0.87 -0.09 3.99 0.00 -1.83 -1.87 119.26 120.84 4req h ALA 95 Ca -0.48 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.41 4req h ALA 95 Cb 1.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 4req h ALA 95 CO 0.61 0.23 -0.02 -0.22 0.00 0.00 0.00 179.25 179.84 4req h LYS 96 N 0.86 -0.00 -0.06 0.00 1.63 -1.91 0.13 116.57 117.22 4req h LYS 96 Ca 0.26 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 4req h LYS 96 Cb -0.03 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 4req h LYS 96 CO -0.08 -0.00 0.02 0.93 -3.45 0.00 0.00 179.45 176.86 4req h GLU 97 N -0.00 0.09 0.05 1.90 5.08 -1.83 -1.80 114.58 118.07 4req h GLU 97 Ca 0.04 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 4req h GLU 97 Cb 0.07 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 4req h GLU 97 CO -0.09 0.25 -0.34 0.77 -1.00 0.00 0.00 179.01 178.60 4req h SER 98 N -0.10 -0.99 -0.82 1.42 0.02 -1.27 -1.26 113.55 110.55 4req h SER 98 Ca 0.02 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 4req h SER 98 Cb 0.20 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 4req h SER 98 CO -0.00 -0.41 0.46 -1.13 -1.14 0.00 0.00 176.83 174.61 4req h ASN 99 N -0.52 0.65 -0.24 3.07 -0.73 -0.68 -0.62 115.58 116.51 4req h ASN 99 Ca 0.05 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 4req h ASN 99 Cb 0.58 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 4req h ASN 99 CO -0.24 0.36 0.14 0.00 -0.37 0.00 0.00 177.43 177.32 4req h ALA 100 N 1.46 0.30 0.06 1.57 0.00 -0.74 -1.45 119.26 120.46 4req h ALA 100 Ca 0.40 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.27 4req h ALA 100 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 4req h ALA 100 CO -0.26 -0.18 -0.11 0.35 0.00 0.00 0.00 179.25 179.05 4req h PHE 101 N 0.28 -0.28 -0.37 0.00 3.57 -0.42 -2.51 116.94 117.20 4req h PHE 101 Ca 0.08 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 4req h PHE 101 Cb 0.05 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 4req h PHE 101 CO -0.04 -0.17 -0.07 1.88 -2.23 0.00 0.00 178.31 177.68 4req h TYR 102 N -0.22 -0.16 -0.80 0.41 0.05 -0.96 -1.28 116.97 114.01 4req h TYR 102 Ca 0.02 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 4req h TYR 102 Cb 0.24 0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 4req h TYR 102 CO -0.14 -0.14 0.44 0.00 -1.05 0.00 0.00 178.16 177.27 4req h ARG 103 N 0.02 1.11 -0.25 4.88 3.08 -1.12 -0.37 114.38 121.74 4req h ARG 103 Ca 0.18 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 4req h ARG 103 Cb 0.27 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 4req h ARG 103 CO -0.37 0.82 -0.34 0.00 -1.07 0.00 0.00 179.97 179.02 4req h ARG 104 N 1.11 0.52 -0.24 0.04 3.08 -1.03 -1.61 114.38 116.25 4req h ARG 104 Ca 0.28 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 4req h ARG 104 Cb 0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 4req h ARG 104 CO -0.05 0.79 0.02 -0.91 -1.07 0.00 0.00 179.97 178.76 4req h ASN 105 N 0.45 0.41 -0.29 7.04 2.35 -0.91 -2.30 115.58 122.32 4req h ASN 105 Ca 0.05 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 4req h ASN 105 Cb 0.80 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 4req h ASN 105 CO 0.07 0.59 0.19 -0.07 -1.65 0.00 0.00 177.43 176.56 4req h LEU 106 N 0.20 0.33 -1.45 1.61 3.38 -1.01 -1.65 115.31 116.71 4req h LEU 106 Ca 0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 4req h LEU 106 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 4req h LEU 106 CO 0.01 0.24 -0.06 0.00 0.09 0.00 0.00 178.44 178.72 4req h ALA 107 N 1.11 1.56 -0.18 1.53 0.00 -1.20 -3.01 119.26 119.07 4req h ALA 107 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 4req h ALA 107 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 4req h ALA 107 CO -0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.54 4req n ALA 108 N -2.49 2.48 0.00 0.00 0.00 -0.87 -4.91 120.51 114.72 4req n ALA 108 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 4req n ALA 108 Cb 0.23 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.66 4req n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 109 N 0.83 1.19 3.77 0.00 0.00 -1.08 -4.99 105.19 104.90 4req n GLY 109 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 4req n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4req s GLN 110 N -0.26 3.76 -0.26 1.61 0.74 -0.66 -4.91 119.66 119.68 4req s GLN 110 Ca 0.00 2.24 -0.03 0.00 0.05 0.00 0.00 55.36 57.62 4req s GLN 110 Cb 0.00 -2.64 -0.16 0.00 1.10 0.00 0.00 33.01 31.30 4req s GLN 110 CO 0.00 -0.69 -0.22 1.17 -0.55 0.00 0.00 175.29 175.00 4req n LYS 111 N -0.15 0.64 -4.30 1.67 3.00 -0.63 -4.49 118.16 113.90 4req n LYS 111 Ca 0.05 0.19 -0.19 0.00 -0.00 0.00 0.00 58.31 58.36 4req n LYS 111 Cb 0.43 -1.53 -0.11 0.00 0.00 0.00 0.00 35.03 33.83 4req n LYS 111 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 4req s GLY 112 N -6.20 1.26 0.33 3.14 0.00 -1.04 -4.73 107.32 100.09 4req s GLY 112 Ca -0.35 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 42.94 4req s GLY 112 CO 0.58 -1.54 0.49 1.08 0.00 0.00 0.00 173.10 173.72 4req s LEU 113 N -2.82 4.01 -0.21 0.66 1.43 -0.85 -4.26 118.68 116.64 4req s LEU 113 Ca 0.15 0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 4req s LEU 113 Cb -0.03 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.33 4req s LEU 113 CO 0.05 -0.36 0.39 -0.55 0.23 0.00 0.00 176.35 176.11 4req s SER 114 N -4.11 -0.06 -0.20 2.29 0.15 -1.25 -0.88 113.70 109.63 4req s SER 114 Ca 0.42 0.73 -0.14 0.00 0.70 0.00 0.00 55.95 57.66 4req s SER 114 Cb -0.09 1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 65.40 4req s SER 114 CO 0.33 -0.25 0.31 -0.69 1.20 0.00 0.00 173.24 174.13 4req s VAL 115 N 2.58 5.27 -0.21 4.45 1.01 -0.44 -0.85 120.40 132.21 4req s VAL 115 Ca 0.03 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 4req s VAL 115 Cb -0.13 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 4req s VAL 115 CO -0.13 0.31 0.15 0.00 0.00 0.00 0.00 175.10 175.43 4req s ALA 116 N 1.06 3.66 0.12 5.51 0.00 -0.25 -2.22 121.76 129.62 4req s ALA 116 Ca 0.15 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.43 4req s ALA 116 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 4req s ALA 116 CO 0.06 0.03 -0.02 -0.06 0.00 0.00 0.00 175.76 175.78 4req s PHE 117 N 0.61 2.91 0.99 0.00 0.40 -1.26 -1.91 117.98 119.71 4req s PHE 117 Ca 0.08 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 4req s PHE 117 Cb -0.12 -1.47 0.18 0.00 0.51 0.00 0.00 43.02 42.12 4req s PHE 117 CO 0.01 0.48 1.09 0.16 0.70 0.00 0.00 175.22 177.65 4req s ASP 118 N -2.50 2.67 0.07 1.36 1.47 -0.06 -4.19 116.67 115.49 4req s ASP 118 Ca 0.26 1.30 -0.27 0.00 1.18 0.00 0.00 52.55 55.02 4req s ASP 118 Cb -0.11 -1.98 -0.17 0.00 -0.34 0.00 0.00 42.92 40.33 4req s ASP 118 CO 0.18 -3.12 1.63 -0.07 0.68 0.00 0.00 175.17 174.47 4req h LEU 119 N -1.88 -0.31 -0.60 2.11 3.38 -1.90 -2.28 115.31 113.83 4req h LEU 119 Ca -0.54 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 57.52 4req h LEU 119 Cb 1.32 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 42.03 4req h LEU 119 CO 0.56 -0.17 -0.16 -0.65 0.09 0.00 0.00 178.44 178.10 4req h PRO 120 N -0.42 -0.01 -0.60 1.13 0.11 -1.85 -0.83 132.00 129.52 4req h PRO 120 Ca -0.04 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.09 4req h PRO 120 Cb 0.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 4req h PRO 120 CO 0.06 -0.01 0.39 1.15 -0.21 0.00 0.00 178.00 179.38 4req h THR 121 N -0.02 1.13 -0.29 -1.15 2.02 -1.58 0.72 112.91 113.73 4req h THR 121 Ca 0.29 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.25 4req h THR 121 Cb 0.45 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 4req h THR 121 CO -0.63 0.14 -0.03 0.45 0.37 0.00 0.00 175.52 175.83 4req h HIS 122 N 0.79 -0.07 -0.38 3.16 3.86 -0.58 -3.05 115.15 118.88 4req h HIS 122 Ca 0.23 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.34 4req h HIS 122 Cb -0.06 0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.42 4req h HIS 122 CO -0.04 -0.08 0.15 0.54 0.86 0.00 0.00 177.93 179.37 4req n ARG 123 N -5.19 2.30 -3.71 2.45 1.74 -0.72 -2.00 116.66 111.52 4req n ARG 123 Ca -0.00 -1.51 -0.23 0.00 -0.77 0.00 0.00 57.85 55.33 4req n ARG 123 Cb 0.16 -1.74 0.04 0.00 -1.02 0.00 0.00 32.46 29.90 4req n ARG 123 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4req n GLY 124 N 0.01 -0.36 3.20 -0.13 0.00 -1.09 -4.97 105.19 101.86 4req n GLY 124 Ca 0.21 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 4req n GLY 124 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4req s TYR 125 N -3.53 2.23 0.65 1.61 2.02 0.23 -4.28 117.35 116.28 4req s TYR 125 Ca 0.19 -0.77 -0.12 0.00 -0.37 0.00 0.00 57.07 56.00 4req s TYR 125 Cb -0.09 -1.49 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 4req s TYR 125 CO 0.80 -0.28 1.05 -0.51 -1.57 0.00 0.00 175.55 175.04 4req s ASP 126 N 0.14 5.72 0.53 2.29 1.01 -1.26 -3.55 116.67 121.55 4req s ASP 126 Ca -0.10 1.60 0.31 0.00 0.71 0.00 0.00 52.55 55.07 4req s ASP 126 Cb -0.15 -2.50 1.40 0.00 1.01 0.00 0.00 42.92 42.68 4req s ASP 126 CO 0.05 -1.21 2.01 0.28 0.21 0.00 0.00 175.17 176.51 4req h SER 127 N -0.34 0.00 1.27 0.27 0.02 -1.95 -2.66 113.55 110.16 4req h SER 127 Ca -0.44 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.38 4req h SER 127 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 4req h SER 127 CO 0.58 0.09 -0.76 -2.24 -1.14 0.00 0.00 176.83 173.36 4req h ASP 128 N 0.00 0.00 -2.00 3.07 3.04 -1.91 -3.43 116.42 115.18 4req h ASP 128 Ca -0.00 0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 53.16 4req h ASP 128 Cb 0.47 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.79 4req h ASP 128 CO 0.01 0.54 0.99 -3.20 -2.04 0.00 0.00 179.24 175.55 4req n ASN 129 N -3.14 3.18 -0.15 4.15 2.85 -1.00 -4.85 115.26 116.30 4req n ASN 129 Ca -0.01 1.01 0.10 0.00 -0.11 0.00 0.00 54.58 55.57 4req n ASN 129 Cb 0.77 -1.35 0.43 0.00 1.24 0.00 0.00 39.78 40.88 4req n ASN 129 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 4req h PRO 130 N 8.15 0.55 0.00 1.20 0.13 -1.88 -3.16 132.00 137.00 4req h PRO 130 Ca -0.48 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 4req h PRO 130 Cb 1.28 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 4req h PRO 130 CO 0.93 0.37 -0.12 -0.09 -0.23 0.00 0.00 178.00 178.86 4req h ARG 131 N 0.57 0.00 -0.23 0.86 2.43 -1.96 -3.19 114.38 112.86 4req h ARG 131 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 4req h ARG 131 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 4req h ARG 131 CO -0.10 0.12 0.00 1.33 -1.51 0.00 0.00 179.97 179.80 4req n VAL 132 N -3.52 1.87 -0.23 0.20 0.24 -1.19 -4.82 118.33 110.88 4req n VAL 132 Ca -0.01 -1.68 0.02 0.00 -2.04 0.00 0.00 64.34 60.63 4req n VAL 132 Cb 0.26 -0.04 0.15 0.00 -1.47 0.00 0.00 33.84 32.74 4req n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 4req h ALA 133 N 1.51 0.93 0.00 2.33 0.00 -1.65 -2.71 119.26 119.68 4req h ALA 133 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 133 Cb 1.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 4req h ALA 133 CO 0.13 -0.18 -0.06 0.78 0.00 0.00 0.00 179.25 179.93 4req h GLY 134 N 0.45 0.00 0.12 0.00 0.00 -1.89 -2.96 103.07 98.81 4req h GLY 134 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 4req h GLY 134 CO -0.35 0.00 -1.41 1.22 0.00 0.00 0.00 176.54 176.00 4req n ASP 135 N -3.24 0.52 -4.68 0.19 8.00 -1.11 -4.53 116.55 111.70 4req n ASP 135 Ca -0.01 -0.43 -0.51 0.00 0.71 0.00 0.00 54.79 54.56 4req n ASP 135 Cb 0.27 1.36 -0.06 0.00 -0.02 0.00 0.00 41.12 42.68 4req n ASP 135 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 4req n VAL 136 N -1.91 0.48 -1.06 2.53 0.31 -1.04 -2.28 118.33 115.36 4req n VAL 136 Ca 0.00 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.20 4req n VAL 136 Cb 0.45 -1.69 -0.01 0.00 -0.91 0.00 0.00 33.84 31.68 4req n VAL 136 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4req n GLY 137 N 4.52 0.27 0.09 2.92 0.00 -1.26 -4.75 105.19 106.97 4req n GLY 137 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 4req n GLY 137 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 4req h MET 138 N 0.11 0.00 -0.01 1.61 2.07 -1.78 -1.94 114.93 114.99 4req h MET 138 Ca -0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 4req h MET 138 Cb 0.91 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.64 4req h MET 138 CO 0.07 0.65 -0.13 0.00 1.07 0.00 0.00 176.91 178.57 4req n ALA 139 N -2.39 2.68 0.00 6.32 0.00 -1.26 -4.84 120.51 121.01 4req n ALA 139 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.93 4req n ALA 139 Cb 0.92 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.07 4req n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 140 N 0.74 -1.34 3.71 0.00 0.00 -1.26 -4.73 105.19 102.31 4req n GLY 140 Ca 0.04 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 4req n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4req s VAL 141 N -2.85 3.86 -0.46 1.61 0.11 -0.81 -3.03 120.40 118.84 4req s VAL 141 Ca 0.00 1.32 -0.29 0.00 -2.93 0.00 0.00 61.98 60.08 4req s VAL 141 Cb 0.00 -3.84 0.02 0.00 -1.53 0.00 0.00 36.38 31.03 4req s VAL 141 CO 0.00 0.08 1.24 0.00 -3.33 0.00 0.00 175.10 173.09 4req s ALA 142 N 1.32 3.11 -0.11 1.54 0.00 0.01 -0.88 121.76 126.75 4req s ALA 142 Ca 0.60 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.22 4req s ALA 142 Cb -0.31 -3.92 -0.00 0.00 0.00 0.00 0.00 23.12 18.89 4req s ALA 142 CO 0.28 -2.32 -0.21 0.42 0.00 0.00 0.00 175.76 173.93 4req s ILE 143 N 4.83 2.28 0.00 0.00 -1.09 -1.26 -4.50 121.20 121.46 4req s ILE 143 Ca 0.53 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 4req s ILE 143 Cb -0.09 -1.89 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 4req s ILE 143 CO 0.32 0.55 0.00 0.47 -1.23 0.00 0.00 174.94 175.05 4req n ASP 144 N 3.55 3.17 -0.96 3.58 8.00 -1.26 -4.71 116.55 127.92 4req n ASP 144 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 4req n ASP 144 Cb 0.53 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 4req n ASP 144 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 4req n SER 145 N -1.53 0.00 -0.08 -2.24 3.41 -1.26 -0.55 113.62 111.37 4req n SER 145 Ca 0.00 -0.96 0.15 0.00 -0.26 0.00 0.00 58.87 57.80 4req n SER 145 Cb 0.32 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.82 4req n SER 145 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 4req h ILE 146 N 0.96 0.83 -0.09 -1.33 6.09 -1.83 -2.46 117.51 119.68 4req h ILE 146 Ca 0.00 -0.10 0.02 0.00 -1.37 0.00 0.00 64.86 63.40 4req h ILE 146 Cb 0.00 0.50 -0.02 0.00 0.47 0.00 0.00 36.82 37.77 4req h ILE 146 CO 0.00 0.06 -0.01 1.88 -3.07 0.00 0.00 178.15 177.00 4req h TYR 147 N 0.30 -0.02 0.09 2.19 -1.99 -1.97 -0.85 116.97 114.72 4req h TYR 147 Ca 0.29 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.03 4req h TYR 147 Cb 0.73 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.49 4req h TYR 147 CO -0.00 -0.02 -0.04 -0.44 -0.00 0.00 0.00 178.16 177.65 4req h ASP 148 N 0.02 -0.10 -0.58 3.88 3.32 -1.82 -2.99 116.42 118.15 4req h ASP 148 Ca 0.04 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.79 4req h ASP 148 Cb 0.06 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 4req h ASP 148 CO -0.08 0.34 0.25 0.24 -1.72 0.00 0.00 179.24 178.27 4req h MET 149 N -0.57 0.45 -0.63 3.56 2.86 -1.47 -0.82 114.93 118.31 4req h MET 149 Ca -0.01 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 4req h MET 149 Cb 0.47 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 4req h MET 149 CO 0.02 0.30 0.37 -0.09 1.06 0.00 0.00 176.91 178.57 4req h ARG 150 N 0.46 0.68 0.00 1.72 2.43 -1.21 -2.70 114.38 115.77 4req h ARG 150 Ca 0.28 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.26 4req h ARG 150 Cb 0.28 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 4req h ARG 150 CO -0.24 0.45 -0.69 0.93 -1.51 0.00 0.00 179.97 178.91 4req h GLU 151 N 0.70 0.00 -0.39 0.20 5.08 -1.28 -2.14 114.58 116.75 4req h GLU 151 Ca 0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 4req h GLU 151 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 4req h GLU 151 CO -0.14 0.69 0.09 1.25 -1.00 0.00 0.00 179.01 179.90 4req h LEU 152 N 0.00 0.60 -2.66 1.33 5.85 -0.84 -3.14 115.31 116.45 4req h LEU 152 Ca -0.01 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 4req h LEU 152 Cb 1.22 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.10 4req h LEU 152 CO 0.09 0.68 0.00 0.49 -0.34 0.00 0.00 178.44 179.36 4req n PHE 153 N -4.56 1.12 -1.91 1.25 3.72 -1.13 -4.38 117.46 111.57 4req n PHE 153 Ca -0.01 -0.50 -0.42 0.00 -0.05 0.00 0.00 57.45 56.48 4req n PHE 153 Cb 0.21 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 4req n PHE 153 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 4req s ALA 154 N -1.44 3.62 0.00 4.37 0.00 -0.81 -1.81 121.76 125.70 4req s ALA 154 Ca 0.46 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.50 4req s ALA 154 Cb 0.27 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.62 4req s ALA 154 CO 0.27 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 175.05 4req n GLY 155 N 4.21 0.62 2.73 0.00 0.00 -1.26 -5.00 105.19 106.48 4req n GLY 155 Ca 0.18 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 4req n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4req s ILE 156 N -2.00 1.10 -0.27 -0.61 1.01 -0.75 -5.08 121.20 114.61 4req s ILE 156 Ca 0.00 -1.87 -0.31 0.00 0.00 0.00 0.00 60.65 58.47 4req s ILE 156 Cb 0.00 -1.81 -0.08 0.00 0.01 0.00 0.00 42.46 40.58 4req s ILE 156 CO 0.00 -0.76 2.20 -2.65 0.00 0.00 0.00 174.94 173.73 4req n PRO 157 N 4.32 1.58 0.05 2.79 -0.02 -1.26 -4.88 135.00 137.58 4req n PRO 157 Ca 0.03 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.02 4req n PRO 157 Cb 0.39 -2.88 0.33 0.00 -0.02 0.00 0.00 33.50 31.32 4req n PRO 157 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 4req n LEU 158 N 10.74 0.21 0.12 2.45 4.77 -1.26 -2.16 117.00 131.86 4req n LEU 158 Ca 0.35 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 57.01 4req n LEU 158 Cb 0.35 -0.54 0.26 0.00 -2.33 0.00 0.00 43.42 41.15 4req n LEU 158 CO 0.71 -0.42 0.65 -2.24 -1.33 0.00 0.00 177.39 174.75 4req h ASP 159 N 0.00 0.00 0.00 -1.43 2.03 -1.90 -3.35 116.42 111.77 4req h ASP 159 Ca 0.00 -0.06 -0.08 0.00 -0.73 0.00 0.00 57.03 56.16 4req h ASP 159 Cb 0.22 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 4req h ASP 159 CO 0.00 0.03 -1.63 0.00 -1.03 0.00 0.00 179.24 176.60 4req n GLN 160 N -2.44 1.14 -3.79 4.15 6.02 -1.00 -4.92 117.38 116.54 4req n GLN 160 Ca 0.04 -0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.63 4req n GLN 160 Cb 0.47 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.39 4req n GLN 160 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 4req s MET 161 N -2.59 3.55 -0.25 -1.09 1.75 -0.92 -5.08 119.30 114.66 4req s MET 161 Ca -0.05 -0.16 -0.14 0.00 -1.25 0.00 0.00 55.69 54.09 4req s MET 161 Cb 0.06 -3.04 -0.04 0.00 2.84 0.00 0.00 34.83 34.64 4req s MET 161 CO 0.48 0.62 0.30 0.45 -0.65 0.00 0.00 175.02 176.22 4req s SER 162 N -1.96 6.22 -0.10 1.11 0.15 -1.26 -4.42 113.70 113.45 4req s SER 162 Ca 0.30 0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.23 4req s SER 162 Cb -0.13 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 4req s SER 162 CO 0.19 -0.09 -0.20 -0.69 1.20 0.00 0.00 173.24 173.66 4req s VAL 163 N 1.64 1.75 -0.07 4.45 1.01 -0.67 -2.01 120.40 126.50 4req s VAL 163 Ca 0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 4req s VAL 163 Cb -0.15 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 4req s VAL 163 CO 0.09 0.49 0.07 -0.55 0.00 0.00 0.00 175.10 175.19 4req s SER 164 N 0.57 5.70 -0.08 3.32 0.15 -0.06 -0.86 113.70 122.44 4req s SER 164 Ca -0.15 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.74 4req s SER 164 Cb -0.17 -1.69 0.02 0.00 -1.71 0.00 0.00 66.02 62.48 4req s SER 164 CO 0.05 0.35 -0.06 -0.04 1.20 0.00 0.00 173.24 174.74 4req s MET 165 N -1.23 1.19 -0.89 5.44 -1.94 0.80 -1.32 119.30 121.35 4req s MET 165 Ca 0.17 -0.16 -0.19 0.00 -1.71 0.00 0.00 55.69 53.80 4req s MET 165 Cb -0.12 -1.26 0.12 0.00 2.01 0.00 0.00 34.83 35.58 4req s MET 165 CO 0.07 -0.19 1.11 0.99 -0.01 0.00 0.00 175.02 176.99 4req s THR 166 N 1.45 4.64 -0.13 2.05 2.01 -0.94 -1.21 115.64 123.51 4req s THR 166 Ca -0.01 -1.36 -0.06 0.00 0.31 0.00 0.00 61.69 60.57 4req s THR 166 Cb -0.13 -4.77 0.05 0.00 0.01 0.00 0.00 72.50 67.66 4req s THR 166 CO -0.04 -1.51 0.29 -0.32 -0.69 0.00 0.00 174.62 172.35 4req s MET 167 N 2.98 0.24 0.00 4.92 0.00 -1.26 -4.54 119.30 121.63 4req s MET 167 Ca 0.31 0.65 0.00 0.00 0.00 0.00 0.00 55.69 56.65 4req s MET 167 Cb -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 34.83 34.70 4req s MET 167 CO -0.07 -0.19 0.00 0.09 0.00 0.00 0.00 175.02 174.85 4req n ASN 168 N 4.52 0.80 0.00 1.11 3.02 -1.26 -1.54 115.26 121.91 4req n ASN 168 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 4req n ASN 168 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 4req n ASN 168 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 4req n GLY 169 N 2.64 -2.06 1.94 7.41 0.00 -1.20 -3.82 105.19 110.10 4req n GLY 169 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 4req n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req n ALA 170 N -1.73 5.26 -0.24 4.61 0.00 -0.85 -4.64 120.51 122.92 4req n ALA 170 Ca 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 53.44 51.74 4req n ALA 170 Cb 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 19.45 17.98 4req n ALA 170 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 4req h VAL 171 N 1.24 1.19 0.55 0.00 3.04 -1.85 -2.61 116.25 117.82 4req h VAL 171 Ca 0.25 -0.40 -0.02 0.00 -1.01 0.00 0.00 66.70 65.53 4req h VAL 171 Cb 0.94 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.44 4req h VAL 171 CO 0.62 0.19 -0.48 -0.07 -1.01 0.00 0.00 177.57 176.82 4req h LEU 172 N 0.92 -1.30 -1.23 3.16 3.38 -1.90 0.27 115.31 118.60 4req h LEU 172 Ca 0.24 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 4req h LEU 172 Cb -0.05 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 4req h LEU 172 CO -0.05 -0.66 -0.16 1.55 0.09 0.00 0.00 178.44 179.21 4req h PRO 173 N -1.02 0.33 0.04 1.13 0.13 -1.92 -0.72 132.00 129.97 4req h PRO 173 Ca -0.07 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 4req h PRO 173 Cb 0.86 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.95 4req h PRO 173 CO -0.02 0.49 -0.02 0.82 -0.23 0.00 0.00 178.00 179.04 4req h ILE 174 N 0.31 1.36 -0.86 -3.56 1.08 -1.38 -2.33 117.51 112.12 4req h ILE 174 Ca 0.06 -1.37 0.02 0.00 -0.39 0.00 0.00 64.86 63.18 4req h ILE 174 Cb 0.47 2.25 -0.05 0.00 -3.07 0.00 0.00 36.82 36.42 4req h ILE 174 CO 0.03 0.34 0.56 0.25 -0.69 0.00 0.00 178.15 178.64 4req h LEU 175 N -0.66 0.96 -0.27 1.44 5.85 -0.85 -2.64 115.31 119.14 4req h LEU 175 Ca -0.00 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.73 4req h LEU 175 Cb 0.59 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 4req h LEU 175 CO 0.01 0.67 0.08 0.00 -0.34 0.00 0.00 178.44 178.87 4req h ALA 176 N 1.34 0.29 -0.03 1.25 0.00 -1.17 -2.33 119.26 118.61 4req h ALA 176 Ca 0.33 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 4req h ALA 176 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 4req h ALA 176 CO -0.09 -0.33 -0.19 -0.07 0.00 0.00 0.00 179.25 178.57 4req h LEU 177 N 0.20 0.04 0.01 0.00 3.38 -1.20 0.26 115.31 118.00 4req h LEU 177 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 4req h LEU 177 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.83 4req h LEU 177 CO -0.13 0.24 -0.00 0.22 0.09 0.00 0.00 178.44 178.86 4req h TYR 178 N 0.04 -0.01 -0.81 1.13 3.20 -1.28 0.22 116.97 119.46 4req h TYR 178 Ca 0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 4req h TYR 178 Cb 0.36 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 4req h TYR 178 CO 0.00 0.36 0.36 0.28 -1.64 0.00 0.00 178.16 177.52 4req h VAL 179 N -0.39 1.26 -0.05 1.81 2.07 -0.87 0.18 116.25 120.26 4req h VAL 179 Ca -0.00 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 4req h VAL 179 Cb 0.38 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 4req h VAL 179 CO 0.00 0.32 0.02 0.58 0.02 0.00 0.00 177.57 178.51 4req h VAL 180 N 1.16 1.17 -0.64 2.57 2.07 -0.39 -1.18 116.25 121.02 4req h VAL 180 Ca 0.27 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.36 4req h VAL 180 Cb 0.17 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 4req h VAL 180 CO -0.03 0.14 0.31 0.74 0.02 0.00 0.00 177.57 178.75 4req h THR 181 N -0.11 0.88 0.60 2.57 2.02 -0.10 -2.29 112.91 116.47 4req h THR 181 Ca 0.02 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 4req h THR 181 Cb 0.21 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 4req h THR 181 CO -0.00 0.10 -0.43 0.00 0.37 0.00 0.00 175.52 175.56 4req h ALA 182 N 1.38 -1.18 -0.95 6.16 0.00 -0.45 -3.08 119.26 121.14 4req h ALA 182 Ca 0.31 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.17 4req h ALA 182 Cb 0.29 0.59 -0.16 0.00 0.00 0.00 0.00 17.79 18.52 4req h ALA 182 CO -0.24 -1.17 -0.36 -1.91 0.00 0.00 0.00 179.25 175.58 4req n GLU 183 N -5.12 -0.21 -0.27 0.00 2.13 -0.46 -0.91 120.64 115.80 4req n GLU 183 Ca -0.12 1.47 0.27 0.00 0.66 0.00 0.00 57.16 59.44 4req n GLU 183 Cb 0.42 -2.18 0.63 0.00 0.27 0.00 0.00 31.44 30.59 4req n GLU 183 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 4req h GLU 184 N 0.00 0.18 -0.00 5.31 5.08 -1.36 -0.43 114.58 123.36 4req h GLU 184 Ca 0.34 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 4req h GLU 184 Cb 0.58 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 4req h GLU 184 CO -0.95 0.12 -0.05 1.04 -1.00 0.00 0.00 179.01 178.17 4req n GLN 185 N -4.40 0.88 -1.53 2.33 6.02 -0.09 -4.90 117.38 115.71 4req n GLN 185 Ca 0.23 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 4req n GLN 185 Cb 0.97 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.74 4req n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4req n GLY 186 N 1.19 0.56 3.49 1.08 0.00 -0.17 -5.04 105.19 106.30 4req n GLY 186 Ca 0.18 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 4req n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 187 N -2.00 4.16 0.56 1.61 1.01 -1.10 -4.98 120.40 119.66 4req s VAL 187 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 4req s VAL 187 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 4req s VAL 187 CO 0.00 0.43 0.91 -0.54 0.00 0.00 0.00 175.10 175.91 4req s LYS 188 N 0.85 3.54 0.40 2.72 1.02 -1.26 -2.49 119.74 124.52 4req s LYS 188 Ca 0.01 0.47 0.13 0.00 0.02 0.00 0.00 55.97 56.60 4req s LYS 188 Cb -0.14 -2.22 0.95 0.00 -0.52 0.00 0.00 37.83 35.90 4req s LYS 188 CO 0.02 -0.41 1.92 -1.35 -0.92 0.00 0.00 175.35 174.60 4req h PRO 189 N -0.07 0.51 0.00 -1.68 0.11 -1.93 -2.76 132.00 126.19 4req h PRO 189 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 4req h PRO 189 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 4req h PRO 189 CO 0.62 0.34 0.00 1.05 -0.21 0.00 0.00 178.00 179.80 4req h GLU 190 N 0.53 0.00 -0.02 1.05 9.09 -1.92 -3.02 114.58 120.30 4req h GLU 190 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 4req h GLU 190 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 4req h GLU 190 CO -0.14 0.00 -0.09 1.04 0.05 0.00 0.00 179.01 179.87 4req n GLN 191 N -2.65 1.65 -2.84 1.06 6.02 -1.04 -4.50 117.38 115.09 4req n GLN 191 Ca 0.01 -1.15 -0.43 0.00 -0.01 0.00 0.00 57.00 55.43 4req n GLN 191 Cb 0.27 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.01 4req n GLN 191 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 4req s LEU 192 N -2.14 4.04 -0.21 1.08 1.43 -1.14 -4.57 118.68 117.17 4req s LEU 192 Ca 0.31 0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.52 4req s LEU 192 Cb 0.20 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 4req s LEU 192 CO 0.38 -0.97 0.12 0.00 0.23 0.00 0.00 176.35 176.11 4req s ALA 193 N 3.60 3.56 0.00 4.21 0.00 -1.26 -3.33 121.76 128.54 4req s ALA 193 Ca 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.53 4req s ALA 193 Cb -0.11 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.86 4req s ALA 193 CO 0.24 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.42 4req n GLY 194 N 3.85 -1.16 3.07 0.00 0.00 -1.21 -1.67 105.19 108.07 4req n GLY 194 Ca -0.16 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 4req n GLY 194 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4req s THR 195 N -3.00 0.05 -0.08 2.61 2.01 -0.04 0.64 115.64 117.83 4req s THR 195 Ca 0.00 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.66 4req s THR 195 Cb 0.00 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 4req s THR 195 CO 0.00 -0.21 -0.23 -0.51 -0.69 0.00 0.00 174.62 172.98 4req s ILE 196 N -0.72 2.25 0.07 1.82 1.10 -1.00 -0.14 121.20 124.57 4req s ILE 196 Ca -0.08 -0.98 -0.33 0.00 -0.51 0.00 0.00 60.65 58.75 4req s ILE 196 Cb -0.05 -1.85 -0.19 0.00 0.15 0.00 0.00 42.46 40.53 4req s ILE 196 CO 0.01 0.56 1.62 -0.61 -2.11 0.00 0.00 174.94 174.41 4req h GLN 197 N 6.25 -0.88 -6.92 3.50 4.15 -1.23 -3.17 115.11 116.81 4req h GLN 197 Ca -0.29 0.06 -0.58 0.00 0.77 0.00 0.00 58.65 58.61 4req h GLN 197 Cb 1.20 0.20 -0.27 0.00 0.21 0.00 0.00 27.48 28.82 4req h GLN 197 CO 0.48 -0.59 -0.87 -1.71 -1.93 0.00 0.00 178.83 174.21 4req n ASN 198 N -5.48 -2.44 -4.01 -0.69 5.15 -0.59 -1.71 115.26 105.48 4req n ASN 198 Ca -0.14 -1.11 -0.32 0.00 -0.60 0.00 0.00 54.58 52.42 4req n ASN 198 Cb 0.37 -2.30 -0.14 0.00 -0.53 0.00 0.00 39.78 37.19 4req n ASN 198 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 4req s ASP 199 N -3.38 4.72 0.20 1.20 -1.08 -1.26 -4.80 116.67 112.26 4req s ASP 199 Ca 0.71 -2.45 0.16 0.00 -0.52 0.00 0.00 52.55 50.44 4req s ASP 199 Cb -0.40 -1.67 -0.02 0.00 -1.46 0.00 0.00 42.92 39.38 4req s ASP 199 CO 0.97 -0.35 1.21 -0.29 0.52 0.00 0.00 175.17 177.23 4req h ILE 200 N 6.15 0.74 -0.90 4.11 6.09 -1.91 -3.35 117.51 128.45 4req h ILE 200 Ca -0.06 -2.14 0.08 0.00 -1.37 0.00 0.00 64.86 61.37 4req h ILE 200 Cb 0.98 2.27 -0.07 0.00 0.47 0.00 0.00 36.82 40.47 4req h ILE 200 CO 0.60 0.42 0.55 -0.07 -3.07 0.00 0.00 178.15 176.59 4req h LEU 201 N 0.00 0.84 -0.61 2.19 3.38 -1.98 -0.49 115.31 118.63 4req h LEU 201 Ca -0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 4req h LEU 201 Cb 1.45 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 4req h LEU 201 CO 0.06 0.50 -0.07 0.07 0.09 0.00 0.00 178.44 179.09 4req h LYS 202 N 0.95 0.00 -0.01 1.13 5.09 -1.92 -1.52 116.57 120.30 4req h LYS 202 Ca 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.15 4req h LYS 202 Cb 0.29 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.62 4req h LYS 202 CO -0.21 0.07 -0.00 0.93 -2.09 0.00 0.00 179.45 178.15 4req h GLU 203 N 0.00 0.01 -0.22 0.07 4.39 -1.22 0.37 114.58 117.97 4req h GLU 203 Ca -0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 4req h GLU 203 Cb 0.85 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 4req h GLU 203 CO 0.01 0.35 0.09 0.74 -1.16 0.00 0.00 179.01 179.04 4req h PHE 204 N -0.33 0.34 -0.17 4.33 0.04 -1.38 -0.09 116.94 119.68 4req h PHE 204 Ca 0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 4req h PHE 204 Cb 0.35 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 4req h PHE 204 CO 0.04 0.38 0.04 1.98 -0.60 0.00 0.00 178.31 180.15 4req h MET 205 N 0.21 0.27 0.00 1.51 4.05 -1.25 -3.45 114.93 116.27 4req h MET 205 Ca 0.07 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 4req h MET 205 Cb 0.19 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 4req h MET 205 CO -0.01 0.42 0.00 1.33 0.23 0.00 0.00 176.91 178.89 4req n VAL 206 N -4.80 0.00 0.15 -5.77 0.24 0.11 -4.58 118.33 103.68 4req n VAL 206 Ca -0.05 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.34 4req n VAL 206 Cb 0.17 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.60 4req n VAL 206 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 4req h ARG 207 N 0.00 0.00 -6.03 7.34 2.43 -0.91 -3.46 114.38 113.75 4req h ARG 207 Ca 0.00 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.75 4req h ARG 207 Cb 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.61 4req h ARG 207 CO 0.00 0.14 -0.76 0.09 -1.51 0.00 0.00 179.97 177.92 4req n ASN 208 N -2.97 -3.63 -1.22 -3.80 3.02 -0.06 -4.81 115.26 101.80 4req n ASN 208 Ca 0.01 -0.71 0.04 0.00 -0.03 0.00 0.00 54.58 53.88 4req n ASN 208 Cb 0.62 -4.40 0.10 0.00 -0.61 0.00 0.00 39.78 35.48 4req n ASN 208 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 4req n THR 209 N -4.55 1.02 -1.51 3.41 -2.24 -1.26 -4.70 114.28 104.45 4req n THR 209 Ca -0.12 -2.08 -0.30 0.00 -2.27 0.00 0.00 64.05 59.28 4req n THR 209 Cb 0.60 0.45 0.10 0.00 -2.10 0.00 0.00 70.33 69.39 4req n THR 209 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 4req s TYR 210 N -1.57 2.72 0.02 4.78 -0.85 -1.26 -3.21 117.35 117.98 4req s TYR 210 Ca 0.36 1.11 0.00 0.00 -0.52 0.00 0.00 57.07 58.02 4req s TYR 210 Cb 0.38 -3.17 0.00 0.00 0.38 0.00 0.00 41.96 39.55 4req s TYR 210 CO -0.12 -1.95 0.00 -0.89 -1.52 0.00 0.00 175.55 171.07 4req n ILE 211 N -3.54 0.17 -2.42 -3.49 5.41 -1.26 -4.84 119.36 109.39 4req n ILE 211 Ca 0.07 0.06 -0.28 0.00 1.00 0.00 0.00 62.75 63.59 4req n ILE 211 Cb 0.57 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 4req n ILE 211 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 4req s TYR 212 N -1.17 3.57 0.90 1.39 2.02 -1.26 -0.89 117.35 121.91 4req s TYR 212 Ca 0.00 0.94 -0.11 0.00 -0.37 0.00 0.00 57.07 57.53 4req s TYR 212 Cb 0.00 -2.43 0.14 0.00 -0.40 0.00 0.00 41.96 39.26 4req s TYR 212 CO 0.00 -0.41 1.12 -2.14 -1.57 0.00 0.00 175.55 172.54 4req s PRO 213 N -4.87 1.16 0.22 -1.71 0.02 -1.26 -4.54 135.00 124.01 4req s PRO 213 Ca 0.50 1.31 -0.13 0.00 0.02 0.00 0.00 61.00 62.70 4req s PRO 213 Cb -0.10 -1.76 0.26 0.00 0.02 0.00 0.00 34.50 32.92 4req s PRO 213 CO 0.47 -2.46 1.61 -1.35 -0.33 0.00 0.00 177.00 174.95 4req h PRO 214 N -1.73 -0.02 0.56 5.54 0.11 -1.98 -2.23 132.00 132.26 4req h PRO 214 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 4req h PRO 214 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 4req h PRO 214 CO 0.46 -0.01 -0.39 0.37 -0.21 0.00 0.00 178.00 178.22 4req h GLN 215 N -0.02 -0.88 -0.73 1.05 -0.00 -1.99 -0.21 115.11 112.33 4req h GLN 215 Ca 0.33 0.06 0.04 0.00 -0.00 0.00 0.00 58.65 59.08 4req h GLN 215 Cb 0.52 0.20 -0.05 0.00 0.00 0.00 0.00 27.48 28.15 4req h GLN 215 CO -0.72 -0.59 0.45 -1.00 0.00 0.00 0.00 178.83 176.97 4req h PRO 216 N -0.92 0.83 -0.39 -2.39 0.13 -1.93 0.20 132.00 127.54 4req h PRO 216 Ca -0.07 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 4req h PRO 216 Cb 0.76 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 4req h PRO 216 CO 0.04 0.55 0.25 0.77 -0.23 0.00 0.00 178.00 179.39 4req h SER 217 N 0.86 0.44 -0.51 1.44 0.02 -1.26 -0.14 113.55 114.39 4req h SER 217 Ca 0.30 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 4req h SER 217 Cb 0.08 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 4req h SER 217 CO -0.13 0.31 0.13 0.24 -1.14 0.00 0.00 176.83 176.24 4req h MET 218 N 0.52 0.82 -0.80 3.45 2.86 -0.57 -2.71 114.93 118.49 4req h MET 218 Ca 0.15 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 4req h MET 218 Cb -0.05 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 4req h MET 218 CO -0.04 0.78 0.37 -0.09 1.06 0.00 0.00 176.91 178.99 4req h ARG 219 N 0.71 1.16 -0.57 1.72 2.43 -0.44 -1.53 114.38 117.86 4req h ARG 219 Ca 0.16 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 4req h ARG 219 Cb 0.32 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 4req h ARG 219 CO 0.00 0.91 0.29 0.82 -1.51 0.00 0.00 179.97 180.48 4req h ILE 220 N 1.14 0.95 0.18 1.20 2.04 -0.78 -2.14 117.51 120.11 4req h ILE 220 Ca 0.27 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.94 4req h ILE 220 Cb 0.14 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 4req h ILE 220 CO -0.03 0.10 -0.16 0.40 0.00 0.00 0.00 178.15 178.46 4req h ILE 221 N 0.56 0.64 -0.02 -0.67 2.04 -1.16 -2.12 117.51 116.77 4req h ILE 221 Ca 0.25 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.12 4req h ILE 221 Cb 0.16 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 4req h ILE 221 CO -0.17 0.00 0.02 0.77 0.00 0.00 0.00 178.15 178.76 4req h SER 222 N -0.37 0.00 0.90 1.72 4.64 -1.00 0.38 113.55 119.82 4req h SER 222 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 4req h SER 222 Cb 0.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 4req h SER 222 CO -0.03 0.00 -0.93 -0.33 -0.87 0.00 0.00 176.83 174.67 4req h GLU 223 N 0.00 0.01 -0.13 4.77 5.08 -1.10 -1.18 114.58 122.03 4req h GLU 223 Ca 0.01 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 4req h GLU 223 Cb 0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.31 4req h GLU 223 CO -0.00 0.93 -0.30 0.82 -1.00 0.00 0.00 179.01 179.46 4req h ILE 224 N 0.01 1.37 0.27 3.13 2.04 -0.67 0.10 117.51 123.76 4req h ILE 224 Ca -0.01 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.26 4req h ILE 224 Cb 1.64 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.75 4req h ILE 224 CO 0.12 0.47 -0.29 -0.26 0.00 0.00 0.00 178.15 178.19 4req h PHE 225 N 0.04 -0.77 -0.24 1.37 0.04 -0.77 0.12 116.94 116.73 4req h PHE 225 Ca -0.00 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.82 4req h PHE 225 Cb 0.91 0.30 -0.04 0.00 2.20 0.00 0.00 35.95 39.32 4req h PHE 225 CO 0.10 -0.41 -0.05 0.00 -0.60 0.00 0.00 178.31 177.35 4req h ALA 226 N 0.01 0.16 0.25 2.45 0.00 -1.19 0.34 119.26 121.28 4req h ALA 226 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 4req h ALA 226 Cb 0.56 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.52 4req h ALA 226 CO -0.07 -0.47 -0.12 -0.92 0.00 0.00 0.00 179.25 177.67 4req h TYR 227 N 0.01 -0.31 -0.38 0.00 3.20 -0.55 -2.45 116.97 116.50 4req h TYR 227 Ca 0.11 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.01 4req h TYR 227 Cb 0.17 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 4req h TYR 227 CO -0.24 -0.06 0.18 1.79 -1.64 0.00 0.00 178.16 178.19 4req h THR 228 N -0.52 0.96 -0.60 1.81 1.35 -0.64 0.18 112.91 115.46 4req h THR 228 Ca -0.03 -0.13 0.05 0.00 -0.55 0.00 0.00 66.41 65.76 4req h THR 228 Cb 0.38 0.56 -0.05 0.00 -1.73 0.00 0.00 68.15 67.32 4req h THR 228 CO 0.06 0.07 0.32 -1.28 -0.25 0.00 0.00 175.52 174.43 4req h SER 229 N 0.37 0.46 0.18 5.36 0.87 -0.95 0.19 113.55 120.03 4req h SER 229 Ca 0.16 0.03 -0.29 0.00 -1.23 0.00 0.00 61.79 60.46 4req h SER 229 Cb 0.09 -0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.02 4req h SER 229 CO -0.12 0.30 -1.22 0.00 -0.53 0.00 0.00 176.83 175.26 4req h ALA 230 N 1.32 0.04 0.00 6.23 0.00 -1.10 -3.42 119.26 122.33 4req h ALA 230 Ca 0.27 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.40 4req h ALA 230 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 4req h ALA 230 CO -0.18 0.72 -0.43 0.09 0.00 0.00 0.00 179.25 179.46 4req n ASN 231 N -3.77 0.87 -3.48 0.00 3.02 0.60 -4.92 115.26 107.59 4req n ASN 231 Ca -0.13 -0.52 -0.27 0.00 -0.03 0.00 0.00 54.58 53.63 4req n ASN 231 Cb 0.98 1.04 -0.11 0.00 -0.61 0.00 0.00 39.78 41.08 4req n ASN 231 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 4req s MET 232 N -1.66 1.09 0.56 3.52 -1.94 0.04 -2.91 119.30 118.01 4req s MET 232 Ca 0.01 -2.19 0.33 0.00 -1.71 0.00 0.00 55.69 52.13 4req s MET 232 Cb 0.04 -1.71 1.67 0.00 2.01 0.00 0.00 34.83 36.83 4req s MET 232 CO 0.22 -1.35 2.13 -1.00 -0.01 0.00 0.00 175.02 175.01 4req h PRO 233 N 5.79 0.00 -0.02 2.03 0.13 -1.81 -2.21 132.00 135.90 4req h PRO 233 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 4req h PRO 233 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 4req h PRO 233 CO 0.41 0.06 -0.24 1.63 -0.23 0.00 0.00 178.00 179.63 4req n LYS 234 N -3.39 1.53 -3.11 0.86 5.02 -1.26 -4.95 118.16 112.86 4req n LYS 234 Ca -0.02 -1.18 -0.39 0.00 -2.02 0.00 0.00 58.31 54.70 4req n LYS 234 Cb 0.21 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 4req n LYS 234 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 4req s TRP 235 N -2.28 3.71 -0.24 2.13 -0.11 -0.83 -3.35 118.94 117.96 4req s TRP 235 Ca 0.25 1.32 -0.24 0.00 1.22 0.00 0.00 56.10 58.65 4req s TRP 235 Cb 0.19 -2.70 -0.01 0.00 -1.50 0.00 0.00 33.47 29.45 4req s TRP 235 CO 0.45 0.32 0.79 -0.80 -4.62 0.00 0.00 176.95 173.10 4req s ASN 236 N -0.16 6.79 0.00 5.86 0.01 0.21 -4.84 114.94 122.82 4req s ASN 236 Ca 0.34 0.98 0.28 0.00 -0.71 0.00 0.00 52.86 53.76 4req s ASN 236 Cb -0.19 -2.42 1.14 0.00 0.41 0.00 0.00 41.25 40.19 4req s ASN 236 CO 0.20 -0.47 1.86 -1.54 -1.51 0.00 0.00 177.10 175.63 4req n SER 237 N 5.84 0.08 -3.51 -1.22 3.41 -0.72 -2.37 113.62 115.11 4req n SER 237 Ca 0.04 0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 58.87 4req n SER 237 Cb 0.48 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 4req n SER 237 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 4req s ILE 238 N -2.98 0.00 -0.56 -1.33 2.07 -1.20 -4.66 121.20 112.54 4req s ILE 238 Ca 0.14 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.42 4req s ILE 238 Cb 0.19 -1.00 0.16 0.00 0.13 0.00 0.00 42.46 41.94 4req s ILE 238 CO 0.55 0.00 0.38 -0.55 -1.91 0.00 0.00 174.94 173.41 4req s SER 239 N -1.59 3.66 -0.36 4.50 0.15 -0.69 -1.06 113.70 118.31 4req s SER 239 Ca -0.05 -3.31 -0.28 0.00 0.70 0.00 0.00 55.95 53.01 4req s SER 239 Cb -0.00 -1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 63.09 4req s SER 239 CO 0.02 -0.16 1.84 -0.63 1.20 0.00 0.00 173.24 175.51 4req s ILE 240 N -0.57 3.43 -0.04 6.45 1.01 0.78 -4.62 121.20 127.63 4req s ILE 240 Ca 0.25 0.41 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 4req s ILE 240 Cb -0.09 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 4req s ILE 240 CO -0.12 -0.44 0.10 -0.44 0.00 0.00 0.00 174.94 174.03 4req s SER 241 N 6.61 5.85 -0.00 3.58 0.01 -1.26 -1.73 113.70 126.76 4req s SER 241 Ca 0.80 0.23 0.01 0.00 1.31 0.00 0.00 55.95 58.30 4req s SER 241 Cb -0.21 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 4req s SER 241 CO 0.32 0.31 0.04 0.61 0.41 0.00 0.00 173.24 174.93 4req n GLY 242 N 1.41 0.29 0.27 3.44 0.00 0.70 -4.73 105.19 106.56 4req n GLY 242 Ca -0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 4req n GLY 242 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 4req h TYR 243 N 0.00 -0.54 -1.00 1.61 3.20 -1.75 -1.36 116.97 117.13 4req h TYR 243 Ca 0.00 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.98 4req h TYR 243 Cb 0.05 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 4req h TYR 243 CO 0.00 -0.30 0.65 0.45 -1.64 0.00 0.00 178.16 177.32 4req h HIS 244 N -0.12 1.21 -0.46 -3.82 3.86 -1.90 -0.18 115.15 113.75 4req h HIS 244 Ca 0.22 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 4req h HIS 244 Cb 0.46 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 4req h HIS 244 CO -0.48 0.65 0.11 0.52 0.86 0.00 0.00 177.93 179.59 4req h MET 245 N 1.20 0.73 -0.39 2.45 2.86 -1.72 -0.58 114.93 119.48 4req h MET 245 Ca 0.42 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 4req h MET 245 Cb 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 4req h MET 245 CO -0.16 0.72 -0.04 0.37 1.06 0.00 0.00 176.91 178.86 4req h GLN 246 N 0.61 0.72 0.00 1.72 4.15 -0.34 0.13 115.11 122.10 4req h GLN 246 Ca 0.14 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 4req h GLN 246 Cb 0.32 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 4req h GLN 246 CO 0.00 0.84 -0.20 0.93 -1.93 0.00 0.00 178.83 178.47 4req h GLU 247 N 0.54 0.00 0.00 1.69 4.39 -0.87 -1.82 114.58 118.51 4req h GLU 247 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 4req h GLU 247 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 4req h GLU 247 CO 0.03 0.20 -0.13 0.00 -1.16 0.00 0.00 179.01 177.95 4req h ALA 248 N 1.80 0.93 0.00 3.43 0.00 -1.00 -3.48 119.26 120.95 4req h ALA 248 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 4req h ALA 248 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 4req h ALA 248 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 4req n GLY 249 N 1.17 -0.10 3.76 0.00 0.00 -0.69 -4.56 105.19 104.78 4req n GLY 249 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 4req n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 250 N -0.88 2.92 0.79 4.61 0.00 0.42 -4.13 121.76 125.50 4req s ALA 250 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 4req s ALA 250 Cb 0.00 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.67 4req s ALA 250 CO 0.00 -1.15 1.12 0.95 0.00 0.00 0.00 175.76 176.68 4req s THR 251 N -1.35 2.83 0.20 0.00 -4.23 -1.26 -4.53 115.64 107.29 4req s THR 251 Ca 0.68 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 61.35 4req s THR 251 Cb -0.38 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.46 4req s THR 251 CO 0.45 -0.35 1.73 0.00 -0.54 0.00 0.00 174.62 175.91 4req h ALA 252 N -1.02 0.67 -0.21 3.99 0.00 -1.95 -2.14 119.26 118.61 4req h ALA 252 Ca -0.47 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 4req h ALA 252 Cb 1.29 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 4req h ALA 252 CO 0.62 -0.26 -0.14 0.38 0.00 0.00 0.00 179.25 179.86 4req h ASP 253 N 0.32 0.33 0.05 0.00 2.03 -1.93 -1.98 116.42 115.24 4req h ASP 253 Ca 0.28 -0.08 -0.17 0.00 -0.73 0.00 0.00 57.03 56.33 4req h ASP 253 Cb 0.37 -0.09 0.02 0.00 -0.83 0.00 0.00 39.33 38.79 4req h ASP 253 CO -0.32 0.50 -0.69 0.40 -1.03 0.00 0.00 179.24 178.10 4req h ILE 254 N 0.32 1.45 0.14 4.15 1.08 -1.87 -2.63 117.51 120.15 4req h ILE 254 Ca 0.06 -2.25 0.02 0.00 -0.39 0.00 0.00 64.86 62.30 4req h ILE 254 Cb 0.45 2.81 -0.04 0.00 -3.07 0.00 0.00 36.82 36.97 4req h ILE 254 CO 0.03 0.65 -0.35 -0.08 -0.69 0.00 0.00 178.15 177.70 4req h GLU 255 N -0.19 -0.57 0.08 2.37 4.81 -1.34 -0.05 114.58 119.70 4req h GLU 255 Ca -0.10 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 4req h GLU 255 Cb 1.44 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 4req h GLU 255 CO 0.13 -0.38 -0.11 0.52 -0.73 0.00 0.00 179.01 178.44 4req h MET 256 N -0.59 -0.22 -0.17 1.92 2.86 -1.46 -1.90 114.93 115.36 4req h MET 256 Ca 0.03 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 4req h MET 256 Cb 0.61 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 4req h MET 256 CO -0.20 -0.15 -0.08 0.00 1.06 0.00 0.00 176.91 177.55 4req h ALA 257 N 0.67 0.07 -0.58 6.32 0.00 -1.21 -1.36 119.26 123.16 4req h ALA 257 Ca 0.01 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 4req h ALA 257 Cb 0.24 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 4req h ALA 257 CO -0.05 -0.51 -0.01 1.88 0.00 0.00 0.00 179.25 180.56 4req h TYR 258 N -0.06 1.13 -0.19 0.00 0.05 -1.04 0.63 116.97 117.49 4req h TYR 258 Ca 0.09 -0.20 -0.06 0.00 0.05 0.00 0.00 58.73 58.62 4req h TYR 258 Cb 0.20 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 4req h TYR 258 CO -0.23 1.01 -0.10 1.15 -1.05 0.00 0.00 178.16 178.94 4req h THR 259 N 0.92 1.31 -0.55 -2.88 2.02 -1.21 0.13 112.91 112.65 4req h THR 259 Ca 0.16 -1.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.06 4req h THR 259 Cb 0.56 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 4req h THR 259 CO 0.03 0.35 -0.09 -0.07 0.37 0.00 0.00 175.52 176.12 4req h LEU 260 N 0.08 1.03 -0.44 2.58 3.38 -1.22 -1.66 115.31 119.06 4req h LEU 260 Ca 0.04 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 4req h LEU 260 Cb 0.59 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 4req h LEU 260 CO 0.03 1.13 -0.03 0.00 0.09 0.00 0.00 178.44 179.66 4req h ALA 261 N 0.94 0.60 -0.78 1.53 0.00 -0.88 -1.79 119.26 118.87 4req h ALA 261 Ca 0.15 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.87 4req h ALA 261 Cb 0.65 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 4req h ALA 261 CO 0.05 0.42 0.42 -0.44 0.00 0.00 0.00 179.25 179.69 4req h ASP 262 N 0.63 0.58 -0.66 0.00 3.32 -0.31 -2.15 116.42 117.83 4req h ASP 262 Ca 0.12 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.30 4req h ASP 262 Cb 0.54 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 4req h ASP 262 CO 0.03 0.32 0.34 1.23 -1.72 0.00 0.00 179.24 179.44 4req h GLY 263 N 0.70 0.98 0.98 2.75 0.00 -0.74 -0.85 103.07 106.88 4req h GLY 263 Ca 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 4req h GLY 263 CO -0.26 0.09 0.25 -2.08 0.00 0.00 0.00 176.54 174.54 4req h VAL 264 N 0.60 1.19 -0.25 4.60 2.07 -0.71 -0.16 116.25 123.59 4req h VAL 264 Ca 0.31 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 4req h VAL 264 Cb 0.28 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 4req h VAL 264 CO -0.23 0.20 0.15 0.44 0.02 0.00 0.00 177.57 178.15 4req h ASP 265 N 0.66 0.30 -0.09 0.57 5.19 -0.93 -2.33 116.42 119.78 4req h ASP 265 Ca 0.17 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 4req h ASP 265 Cb 0.10 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 4req h ASP 265 CO -0.02 0.27 0.01 1.88 -3.12 0.00 0.00 179.24 178.26 4req h TYR 266 N 0.31 0.24 -0.26 4.55 0.05 -0.89 -1.13 116.97 119.84 4req h TYR 266 Ca 0.09 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.73 4req h TYR 266 Cb 0.02 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 4req h TYR 266 CO -0.04 0.24 -0.34 0.82 -1.05 0.00 0.00 178.16 177.79 4req h ILE 267 N 0.24 1.31 -0.69 -2.88 2.04 -0.54 -2.41 117.51 114.58 4req h ILE 267 Ca 0.06 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.39 4req h ILE 267 Cb 0.15 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 4req h ILE 267 CO 0.00 0.49 0.45 0.03 0.00 0.00 0.00 178.15 179.12 4req h ARG 268 N 0.41 0.91 -0.59 2.37 3.08 -0.97 -0.28 114.38 119.31 4req h ARG 268 Ca 0.03 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.06 4req h ARG 268 Cb 0.93 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 4req h ARG 268 CO 0.08 0.61 0.35 0.00 -1.07 0.00 0.00 179.97 179.94 4req h ALA 269 N 1.25 0.77 -0.44 0.04 0.00 -1.18 0.98 119.26 120.67 4req h ALA 269 Ca 0.25 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 4req h ALA 269 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 4req h ALA 269 CO -0.05 0.06 -0.26 0.78 0.00 0.00 0.00 179.25 179.78 4req h GLY 270 N 0.68 1.01 0.98 0.00 0.00 -0.90 -3.14 103.07 101.71 4req h GLY 270 Ca 0.25 -0.92 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 4req h GLY 270 CO -0.12 0.84 0.20 0.83 0.00 0.00 0.00 176.54 178.29 4req h GLU 271 N 0.80 0.83 0.00 4.80 5.08 -0.62 -2.23 114.58 123.23 4req h GLU 271 Ca 0.10 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 4req h GLU 271 Cb 0.82 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.95 4req h GLU 271 CO 0.07 0.73 0.11 0.66 -1.00 0.00 0.00 179.01 179.58 4req h SER 272 N 0.74 0.00 -0.56 1.42 4.64 -0.76 -0.82 113.55 118.21 4req h SER 272 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 4req h SER 272 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 4req h SER 272 CO -0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.28 4req n VAL 273 N -2.91 1.45 -0.64 0.95 0.24 -1.21 -4.95 118.33 111.26 4req n VAL 273 Ca -0.02 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.11 4req n VAL 273 Cb 0.16 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 4req n VAL 273 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 4req n GLY 274 N 0.95 0.72 3.75 7.63 0.00 -0.31 -4.90 105.19 113.02 4req n GLY 274 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 4req n GLY 274 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4req s LEU 275 N 0.00 4.58 0.66 0.99 1.43 -0.84 -5.00 118.68 120.50 4req s LEU 275 Ca 0.00 1.82 -0.14 0.00 -1.03 0.00 0.00 54.13 54.78 4req s LEU 275 Cb 0.00 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 4req s LEU 275 CO 0.00 0.09 1.09 0.21 0.23 0.00 0.00 176.35 177.97 4req s ASN 276 N -0.73 5.24 0.26 2.29 3.84 -1.26 -4.02 114.94 120.57 4req s ASN 276 Ca 0.42 1.90 -0.03 0.00 0.21 0.00 0.00 52.86 55.35 4req s ASN 276 Cb -0.24 -2.54 0.39 0.00 -0.55 0.00 0.00 41.25 38.31 4req s ASN 276 CO 0.30 -1.54 1.87 1.62 -2.79 0.00 0.00 177.10 176.56 4req h VAL 277 N -0.05 1.05 0.00 -5.21 3.04 -1.94 -2.52 116.25 110.63 4req h VAL 277 Ca -0.46 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 4req h VAL 277 Cb 1.23 -0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 4req h VAL 277 CO 0.55 0.20 0.00 0.44 -1.01 0.00 0.00 177.57 177.75 4req h ASP 278 N 1.08 0.00 1.37 3.17 3.32 -1.93 0.69 116.42 124.12 4req h ASP 278 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 4req h ASP 278 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 4req h ASP 278 CO -0.18 0.00 -0.17 1.56 -1.72 0.00 0.00 179.24 178.73 4req h GLN 279 N 0.00 0.00 0.00 3.56 4.20 -1.82 -3.40 115.11 117.65 4req h GLN 279 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 4req h GLN 279 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 4req h GLN 279 CO 0.00 0.00 -0.10 1.97 -0.67 0.00 0.00 178.83 180.03 4req n PHE 280 N -2.31 0.00 -0.05 2.96 -1.74 -1.13 -4.66 117.46 110.53 4req n PHE 280 Ca 0.05 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.85 4req n PHE 280 Cb 0.44 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 4req n PHE 280 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 4req h ALA 281 N 0.00 0.25 0.00 1.98 0.00 -1.07 -2.53 119.26 117.89 4req h ALA 281 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 4req h ALA 281 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 4req h ALA 281 CO 0.00 -0.34 0.16 -1.35 0.00 0.00 0.00 179.25 177.72 4req h PRO 282 N 0.19 0.00 -0.27 0.00 0.11 -1.80 -1.20 132.00 129.03 4req h PRO 282 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 4req h PRO 282 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 4req h PRO 282 CO -0.09 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.24 4req n ARG 283 N -2.21 2.44 -2.86 1.05 5.12 -0.96 -4.94 116.66 114.30 4req n ARG 283 Ca -0.01 -1.86 -0.39 0.00 -1.93 0.00 0.00 57.85 53.66 4req n ARG 283 Cb 0.19 -1.24 -0.06 0.00 -1.16 0.00 0.00 32.46 30.18 4req n ARG 283 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 4req s LEU 284 N -0.98 4.59 0.17 0.55 1.43 -0.46 -1.76 118.68 122.23 4req s LEU 284 Ca 0.20 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 4req s LEU 284 Cb 0.11 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 4req s LEU 284 CO 0.15 0.16 -0.04 -0.94 0.23 0.00 0.00 176.35 175.90 4req s SER 285 N -1.22 1.51 0.41 2.29 1.04 -0.22 -4.71 113.70 112.80 4req s SER 285 Ca 0.40 -1.11 0.06 0.00 0.48 0.00 0.00 55.95 55.78 4req s SER 285 Cb -0.24 0.05 -0.07 0.00 0.10 0.00 0.00 66.02 65.86 4req s SER 285 CO 0.29 -0.47 0.01 -0.36 0.98 0.00 0.00 173.24 173.69 4req s PHE 286 N -3.50 2.44 -0.23 5.02 0.40 -0.25 -0.16 117.98 121.70 4req s PHE 286 Ca 0.21 -0.71 -0.04 0.00 -0.60 0.00 0.00 56.93 55.79 4req s PHE 286 Cb 0.05 -1.74 0.12 0.00 0.51 0.00 0.00 43.02 41.96 4req s PHE 286 CO 0.03 0.41 0.40 0.12 0.70 0.00 0.00 175.22 176.88 4req s PHE 287 N -2.75 -0.86 0.17 0.36 5.36 -0.70 -0.51 117.98 119.03 4req s PHE 287 Ca 0.33 1.11 0.06 0.00 -0.96 0.00 0.00 56.93 57.47 4req s PHE 287 Cb 0.09 0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.88 4req s PHE 287 CO 0.17 -0.65 0.08 -1.58 -1.46 0.00 0.00 175.22 171.78 4req s TRP 288 N 2.59 3.04 0.16 10.12 0.52 -0.06 -0.22 118.94 135.09 4req s TRP 288 Ca 0.09 -0.06 -0.12 0.00 0.02 0.00 0.00 56.10 56.03 4req s TRP 288 Cb -0.14 -1.47 -0.07 0.00 -1.15 0.00 0.00 33.47 30.64 4req s TRP 288 CO -0.15 0.52 0.52 0.20 0.02 0.00 0.00 176.95 178.06 4req s GLY 289 N -3.03 2.39 -0.33 0.98 0.00 -1.26 -1.29 107.32 104.77 4req s GLY 289 Ca 0.30 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.80 4req s GLY 289 CO 0.22 0.01 0.11 -0.42 0.00 0.00 0.00 173.10 173.01 4req s ILE 290 N -1.56 1.21 0.25 0.90 -1.09 -0.32 -4.84 121.20 115.76 4req s ILE 290 Ca 0.40 -1.74 -0.03 0.00 -2.23 0.00 0.00 60.65 57.05 4req s ILE 290 Cb -0.14 -1.90 0.06 0.00 -1.58 0.00 0.00 42.46 38.90 4req s ILE 290 CO 0.20 -0.69 0.34 0.61 -1.23 0.00 0.00 174.94 174.16 4req n GLY 291 N 4.55 -0.54 0.26 6.18 0.00 -1.26 -0.04 105.19 114.35 4req n GLY 291 Ca 0.01 -1.79 0.15 0.00 0.00 0.00 0.00 46.02 44.39 4req n GLY 291 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 4req h MET 292 N 0.00 0.00 -5.70 1.61 2.86 -1.95 -3.40 114.93 108.35 4req h MET 292 Ca -0.11 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 56.86 4req h MET 292 Cb 0.34 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.89 4req h MET 292 CO 0.09 0.09 1.75 1.21 1.06 0.00 0.00 176.91 181.11 4req s ASN 293 N -5.88 6.75 0.14 1.22 3.84 -1.26 -4.89 114.94 114.86 4req s ASN 293 Ca -0.00 -2.19 -0.28 0.00 0.21 0.00 0.00 52.86 50.61 4req s ASN 293 Cb 0.10 -2.53 -0.06 0.00 -0.55 0.00 0.00 41.25 38.21 4req s ASN 293 CO 0.57 -1.20 1.47 0.33 -2.79 0.00 0.00 177.10 175.48 4req n PHE 294 N 7.99 -0.39 -0.30 0.43 7.35 -1.26 -1.79 117.46 129.49 4req n PHE 294 Ca 0.40 1.11 -0.05 0.00 -0.76 0.00 0.00 57.45 58.16 4req n PHE 294 Cb 0.47 -0.57 0.09 0.00 0.35 0.00 0.00 39.48 39.82 4req n PHE 294 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 4req h PHE 295 N 0.00 1.20 -0.30 -5.13 0.04 -1.97 -2.07 116.94 108.71 4req h PHE 295 Ca 0.14 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 4req h PHE 295 Cb 0.37 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 4req h PHE 295 CO -1.01 0.87 -0.19 1.98 -0.60 0.00 0.00 178.31 179.36 4req h MET 296 N 1.18 0.55 -0.49 1.51 4.05 -1.89 -2.18 114.93 117.66 4req h MET 296 Ca 0.28 -0.19 -0.13 0.00 -0.28 0.00 0.00 59.70 59.39 4req h MET 296 Cb 0.13 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 4req h MET 296 CO -0.03 0.71 -0.19 0.93 0.23 0.00 0.00 176.91 178.56 4req h GLU 297 N 0.49 1.00 0.01 0.39 4.39 -0.91 0.30 114.58 120.25 4req h GLU 297 Ca 0.08 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 4req h GLU 297 Cb 0.61 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 4req h GLU 297 CO 0.04 1.10 -0.00 0.28 -1.16 0.00 0.00 179.01 179.26 4req h VAL 298 N 0.86 1.18 -0.73 3.13 2.07 -1.36 -2.43 116.25 118.98 4req h VAL 298 Ca 0.12 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 4req h VAL 298 Cb 0.77 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 4req h VAL 298 CO 0.06 0.15 0.45 0.00 0.02 0.00 0.00 177.57 178.24 4req h ALA 299 N 0.73 0.93 -0.21 1.67 0.00 -1.30 -2.85 119.26 118.24 4req h ALA 299 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 4req h ALA 299 Cb 0.25 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 4req h ALA 299 CO 0.00 0.39 -0.19 -0.22 0.00 0.00 0.00 179.25 179.24 4req h LYS 300 N 0.99 -0.19 -0.81 0.00 3.64 -0.18 0.01 116.57 120.03 4req h LYS 300 Ca 0.26 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 4req h LYS 300 Cb -0.04 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 4req h LYS 300 CO -0.05 -0.13 0.48 -0.07 -2.27 0.00 0.00 179.45 177.42 4req h LEU 301 N -0.20 0.97 -0.16 5.20 4.07 -1.33 0.57 115.31 124.42 4req h LEU 301 Ca 0.12 -0.06 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 4req h LEU 301 Cb 0.39 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.88 4req h LEU 301 CO -0.33 0.75 -0.38 0.03 -1.08 0.00 0.00 178.44 177.43 4req h ARG 302 N 1.11 0.55 -0.58 1.13 3.08 -1.20 -2.87 114.38 115.60 4req h ARG 302 Ca 0.29 -0.37 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 4req h ARG 302 Cb -0.04 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 4req h ARG 302 CO -0.05 0.98 0.07 0.00 -1.07 0.00 0.00 179.97 179.89 4req h ALA 303 N 0.56 0.77 -0.79 0.04 0.00 -0.79 -3.00 119.26 116.05 4req h ALA 303 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 4req h ALA 303 Cb 0.98 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 4req h ALA 303 CO 0.08 0.54 0.52 0.00 0.00 0.00 0.00 179.25 180.39 4req h ALA 304 N 0.99 1.02 -0.58 0.00 0.00 -0.93 0.17 119.26 119.93 4req h ALA 304 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 4req h ALA 304 Cb 0.46 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 4req h ALA 304 CO 0.02 0.38 0.38 0.00 0.00 0.00 0.00 179.25 180.03 4req h ARG 305 N 1.04 0.76 -0.35 0.00 3.08 -1.37 -0.94 114.38 116.59 4req h ARG 305 Ca 0.30 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 4req h ARG 305 Cb -0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 4req h ARG 305 CO -0.08 0.50 -0.07 0.52 -1.07 0.00 0.00 179.97 179.78 4req h MET 306 N 0.78 0.67 -0.52 0.04 2.86 -1.24 -2.72 114.93 114.80 4req h MET 306 Ca 0.21 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 4req h MET 306 Cb -0.08 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 4req h MET 306 CO -0.05 0.82 0.31 -0.07 1.06 0.00 0.00 176.91 178.97 4req h LEU 307 N 0.46 0.49 -0.72 1.22 3.38 -0.74 -1.73 115.31 117.67 4req h LEU 307 Ca 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 4req h LEU 307 Cb 0.56 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 4req h LEU 307 CO 0.03 0.34 0.43 -0.25 0.09 0.00 0.00 178.44 179.08 4req h TRP 308 N 0.61 0.95 -0.47 1.13 -0.00 -1.16 -0.27 115.95 116.74 4req h TRP 308 Ca 0.21 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 59.06 4req h TRP 308 Cb 0.03 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 28.86 4req h TRP 308 CO -0.07 0.65 0.15 0.00 -0.00 0.00 0.00 178.44 179.17 4req h ALA 309 N 1.22 0.61 0.07 2.65 0.00 -1.22 0.24 119.26 122.83 4req h ALA 309 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 309 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 4req h ALA 309 CO -0.05 0.26 -0.06 -0.22 0.00 0.00 0.00 179.25 179.19 4req h LYS 310 N 0.62 -0.13 -0.12 0.00 3.64 -0.96 -0.94 116.57 118.67 4req h LYS 310 Ca 0.15 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 4req h LYS 310 Cb 0.26 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 4req h LYS 310 CO -0.01 -0.09 0.08 -0.07 -2.27 0.00 0.00 179.45 177.09 4req h LEU 311 N -0.13 0.14 -1.09 5.20 3.38 -0.78 -3.03 115.31 119.00 4req h LEU 311 Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 4req h LEU 311 Cb 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 4req h LEU 311 CO -0.01 0.13 -0.30 0.58 0.09 0.00 0.00 178.44 178.93 4req h VAL 312 N 0.14 1.26 -0.99 1.22 2.07 -0.48 -3.04 116.25 116.44 4req h VAL 312 Ca 0.04 -1.26 0.15 0.00 0.82 0.00 0.00 66.70 66.46 4req h VAL 312 Cb 0.01 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.18 4req h VAL 312 CO -0.01 0.38 0.60 -0.74 0.02 0.00 0.00 177.57 177.83 4req h HIS 313 N 0.23 1.08 -0.12 1.57 6.17 -1.04 -2.40 115.15 120.64 4req h HIS 313 Ca 0.03 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.18 4req h HIS 313 Cb 0.66 -0.33 -0.00 0.00 2.52 0.00 0.00 27.41 30.25 4req h HIS 313 CO 0.01 0.33 0.22 1.96 0.71 0.00 0.00 177.93 181.17 4req h GLN 314 N 0.86 0.00 -0.00 5.26 4.20 -1.57 -2.51 115.11 121.34 4req h GLN 314 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 4req h GLN 314 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 4req h GLN 314 CO -0.32 0.00 -0.28 1.19 -0.67 0.00 0.00 178.83 178.74 4req n PHE 315 N -3.40 0.00 -2.42 2.96 3.72 -0.90 -4.98 117.46 112.44 4req n PHE 315 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.34 4req n PHE 315 Cb 0.32 -0.34 0.03 0.00 -0.94 0.00 0.00 39.48 38.55 4req n PHE 315 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4req n GLY 316 N 1.49 0.09 3.77 1.37 0.00 -0.95 -4.88 105.19 106.08 4req n GLY 316 Ca 0.07 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 4req n GLY 316 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 4req s PRO 317 N -4.11 4.00 -0.12 1.61 0.04 -1.26 -4.92 135.00 130.25 4req s PRO 317 Ca 0.08 2.15 0.18 0.00 0.04 0.00 0.00 61.00 63.46 4req s PRO 317 Cb -0.01 -2.78 -0.27 0.00 0.04 0.00 0.00 34.50 31.48 4req s PRO 317 CO 0.30 -0.46 0.23 1.63 0.04 0.00 0.00 177.00 178.74 4req n LYS 318 N 0.18 0.79 -3.51 4.56 4.01 -1.26 -4.87 118.16 118.06 4req n LYS 318 Ca 0.03 -0.09 -0.38 0.00 -0.51 0.00 0.00 58.31 57.36 4req n LYS 318 Cb 0.43 -1.49 -0.10 0.00 -0.51 0.00 0.00 35.03 33.37 4req n LYS 318 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 4req s ASN 319 N -4.91 6.12 0.41 4.39 3.84 -1.26 -4.99 114.94 118.55 4req s ASN 319 Ca -0.09 0.12 0.13 0.00 0.21 0.00 0.00 52.86 53.24 4req s ASN 319 Cb 0.09 -2.16 0.98 0.00 -0.55 0.00 0.00 41.25 39.61 4req s ASN 319 CO 0.81 -0.10 1.94 1.55 -2.79 0.00 0.00 177.10 178.51 4req h PRO 320 N 8.26 0.47 -0.02 0.43 0.13 -2.02 -1.57 132.00 137.68 4req h PRO 320 Ca -0.34 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.77 4req h PRO 320 Cb 1.18 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 4req h PRO 320 CO 0.59 0.31 0.02 0.87 -0.23 0.00 0.00 178.00 179.56 4req h LYS 321 N 0.48 0.00 -0.83 0.86 1.57 -1.96 -2.63 116.57 114.07 4req h LYS 321 Ca 0.34 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 4req h LYS 321 Cb 0.65 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 4req h LYS 321 CO -0.11 0.00 0.55 0.77 -0.57 0.00 0.00 179.45 180.09 4req h SER 322 N 0.00 0.92 0.54 0.86 0.02 -1.56 -2.28 113.55 112.05 4req h SER 322 Ca 0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 4req h SER 322 Cb 0.04 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.36 4req h SER 322 CO -0.00 0.65 -0.08 0.23 -1.14 0.00 0.00 176.83 176.49 4req n MET 323 N -4.43 0.44 -2.67 3.45 2.81 -0.99 -4.55 117.12 111.17 4req n MET 323 Ca 0.10 -0.09 -0.43 0.00 -1.81 0.00 0.00 57.70 55.47 4req n MET 323 Cb 0.07 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.05 4req n MET 323 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 4req s SER 324 N -2.62 7.18 -0.51 7.83 1.04 -0.86 -3.64 113.70 122.12 4req s SER 324 Ca 0.25 1.47 -0.19 0.00 0.48 0.00 0.00 55.95 57.96 4req s SER 324 Cb 0.20 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.83 4req s SER 324 CO 0.49 -0.55 0.63 -0.22 0.98 0.00 0.00 173.24 174.58 4req s LEU 325 N 2.53 4.96 -0.29 2.42 0.20 -1.26 -4.98 118.68 122.26 4req s LEU 325 Ca 0.47 -0.91 -0.10 0.00 0.69 0.00 0.00 54.13 54.28 4req s LEU 325 Cb -0.17 -2.45 -0.03 0.00 -0.43 0.00 0.00 46.19 43.11 4req s LEU 325 CO 0.13 -0.90 0.15 -0.13 -0.29 0.00 0.00 176.35 175.31 4req s ARG 326 N 2.65 3.60 0.15 1.98 0.52 -1.26 -4.68 118.95 121.91 4req s ARG 326 Ca 0.15 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 54.90 4req s ARG 326 Cb -0.19 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 4req s ARG 326 CO 0.12 -0.29 -0.17 -0.08 0.02 0.00 0.00 175.30 174.90 4req s THR 327 N 1.66 1.64 0.10 0.02 -1.32 -1.26 -1.09 115.64 115.39 4req s THR 327 Ca 0.06 -1.87 0.03 0.00 -1.21 0.00 0.00 61.69 58.70 4req s THR 327 Cb -0.16 -1.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.04 4req s THR 327 CO 0.07 -0.37 0.15 -2.28 -2.21 0.00 0.00 174.62 169.98 4req s HIS 328 N -2.14 3.29 0.07 9.09 2.46 0.33 0.38 115.29 128.76 4req s HIS 328 Ca 0.14 0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.78 4req s HIS 328 Cb -0.05 -1.63 -0.03 0.00 -0.13 0.00 0.00 32.58 30.73 4req s HIS 328 CO 0.05 0.54 -0.07 -1.12 -2.47 0.00 0.00 174.74 171.67 4req s SER 329 N -2.68 0.94 -0.07 9.88 0.01 -0.64 -0.88 113.70 120.26 4req s SER 329 Ca 0.32 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 4req s SER 329 Cb -0.12 0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.22 4req s SER 329 CO 0.24 -0.34 0.16 -1.58 0.41 0.00 0.00 173.24 172.13 4req s GLN 330 N -2.68 0.11 0.44 12.44 0.74 -0.41 -1.56 119.66 128.74 4req s GLN 330 Ca 0.00 0.37 -0.25 0.00 0.05 0.00 0.00 55.36 55.53 4req s GLN 330 Cb -0.02 -0.14 -0.08 0.00 1.10 0.00 0.00 33.01 33.86 4req s GLN 330 CO -0.02 -0.15 1.42 0.95 -0.55 0.00 0.00 175.29 176.93 4req s THR 331 N 1.06 2.13 -0.11 -0.34 -4.23 -1.01 -1.17 115.64 111.97 4req s THR 331 Ca -0.08 0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.25 4req s THR 331 Cb -0.10 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 4req s THR 331 CO -0.06 0.02 1.89 -0.55 -0.54 0.00 0.00 174.62 175.38 4req s SER 332 N -0.52 6.21 0.25 3.99 0.15 0.95 -4.68 113.70 120.05 4req s SER 332 Ca 0.60 2.13 0.00 0.00 0.70 0.00 0.00 55.95 59.38 4req s SER 332 Cb -0.43 -2.53 0.32 0.00 -1.71 0.00 0.00 66.02 61.67 4req s SER 332 CO 0.56 -1.32 1.68 1.23 1.20 0.00 0.00 173.24 176.58 4req h GLY 333 N 11.96 0.62 0.90 9.45 0.00 -1.90 -3.06 103.07 121.04 4req h GLY 333 Ca -0.42 -0.53 0.07 0.00 0.00 0.00 0.00 47.33 46.46 4req h GLY 333 CO 0.96 0.48 0.54 -0.25 0.00 0.00 0.00 176.54 178.27 4req h TRP 334 N 0.50 0.89 0.00 5.60 7.01 -1.92 -2.31 115.95 125.72 4req h TRP 334 Ca 0.07 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 4req h TRP 334 Cb 0.73 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.49 4req h TRP 334 CO 0.03 0.45 -0.06 0.66 -2.79 0.00 0.00 178.44 176.73 4req h SER 335 N 0.87 0.00 -3.50 2.65 4.64 -1.94 -3.43 113.55 112.83 4req h SER 335 Ca 0.36 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.15 4req h SER 335 Cb 0.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 4req h SER 335 CO -0.13 0.06 0.12 -0.76 -0.87 0.00 0.00 176.83 175.25 4req s LEU 336 N -6.66 4.49 0.32 5.97 1.43 -0.87 -5.05 118.68 118.32 4req s LEU 336 Ca -0.02 1.51 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 4req s LEU 336 Cb 0.12 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 4req s LEU 336 CO 0.53 0.16 0.21 0.42 0.23 0.00 0.00 176.35 177.89 4req s THR 337 N -1.28 3.45 -0.83 5.49 -4.23 -1.26 -4.74 115.64 112.24 4req s THR 337 Ca 0.37 -1.52 0.24 0.00 -1.18 0.00 0.00 61.69 59.60 4req s THR 337 Cb -0.20 -3.11 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 4req s THR 337 CO 0.23 -0.21 1.23 0.00 -0.54 0.00 0.00 174.62 175.33 4req n ALA 338 N -1.24 3.53 -2.78 3.99 0.00 -1.26 -4.56 120.51 118.19 4req n ALA 338 Ca -0.03 -0.38 -0.35 0.00 0.00 0.00 0.00 53.44 52.68 4req n ALA 338 Cb 0.60 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 4req n ALA 338 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 4req s GLN 339 N -3.09 3.19 -1.13 0.00 1.11 -1.26 -4.64 119.66 113.85 4req s GLN 339 Ca 0.08 -0.30 -0.25 0.00 0.01 0.00 0.00 55.36 54.90 4req s GLN 339 Cb 0.16 -2.97 0.02 0.00 -1.01 0.00 0.00 33.01 29.20 4req s GLN 339 CO 0.75 0.73 0.73 -3.47 0.01 0.00 0.00 175.29 174.04 4req n ASP 340 N 1.90 -4.87 0.03 5.90 2.03 -1.26 -4.86 116.55 115.42 4req n ASP 340 Ca -0.18 -1.11 0.17 0.00 0.52 0.00 0.00 54.79 54.19 4req n ASP 340 Cb 0.54 -2.55 0.66 0.00 -0.72 0.00 0.00 41.12 39.05 4req n ASP 340 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 4req h VAL 341 N -2.01 0.80 0.00 5.18 -1.51 -1.83 -2.87 116.25 114.01 4req h VAL 341 Ca -0.67 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 4req h VAL 341 Cb 1.37 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 4req h VAL 341 CO 0.48 0.01 0.00 -1.22 -1.23 0.00 0.00 177.57 175.61 4req n TYR 342 N -4.42 0.50 0.09 5.19 4.02 -1.26 -2.23 117.16 119.04 4req n TYR 342 Ca 0.08 0.19 -0.00 0.00 -0.01 0.00 0.00 57.90 58.15 4req n TYR 342 Cb 0.49 -0.80 0.29 0.00 -0.02 0.00 0.00 39.34 39.30 4req n TYR 342 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 4req h ASN 343 N 0.00 0.28 -0.52 7.72 2.35 -1.87 -2.80 115.58 120.75 4req h ASN 343 Ca 0.00 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 4req h ASN 343 Cb 0.37 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 4req h ASN 343 CO 0.00 0.54 0.34 0.78 -1.65 0.00 0.00 177.43 177.45 4req h ASN 344 N 0.26 0.57 -0.60 5.81 2.35 -1.65 -1.68 115.58 120.64 4req h ASN 344 Ca 0.04 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 4req h ASN 344 Cb 0.59 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 4req h ASN 344 CO 0.04 0.40 0.37 0.58 -1.65 0.00 0.00 177.43 177.17 4req h VAL 345 N 0.67 1.08 -0.17 2.81 2.07 -1.65 0.12 116.25 121.18 4req h VAL 345 Ca 0.20 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 4req h VAL 345 Cb -0.02 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 4req h VAL 345 CO -0.05 0.13 -0.09 0.58 0.02 0.00 0.00 177.57 178.17 4req h VAL 346 N 0.73 1.31 -0.34 2.57 2.07 -1.58 -2.33 116.25 118.70 4req h VAL 346 Ca 0.24 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.65 4req h VAL 346 Cb 0.01 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 4req h VAL 346 CO -0.09 0.34 0.13 0.03 0.02 0.00 0.00 177.57 177.99 4req h ARG 347 N 0.04 0.27 -0.42 1.57 3.08 -0.94 -1.26 114.38 116.73 4req h ARG 347 Ca 0.04 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 4req h ARG 347 Cb 0.57 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 4req h ARG 347 CO 0.03 0.18 -0.11 1.15 -1.07 0.00 0.00 179.97 180.14 4req h THR 348 N 0.28 1.26 -0.35 2.04 2.02 -0.79 -2.03 112.91 115.34 4req h THR 348 Ca 0.15 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 4req h THR 348 Cb 0.11 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 4req h THR 348 CO -0.14 0.39 0.14 0.00 0.37 0.00 0.00 175.52 176.28 4req h ILE 350 N 0.41 1.26 -0.67 0.00 1.08 -1.01 -1.72 117.51 116.87 4req h ILE 350 Ca 0.12 -1.04 -0.08 0.00 -0.39 0.00 0.00 64.86 63.47 4req h ILE 350 Cb 0.18 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 4req h ILE 350 CO -0.01 0.39 0.12 -0.33 -0.69 0.00 0.00 178.15 177.63 4req h GLU 351 N 1.02 1.09 -0.73 2.37 5.08 -1.17 -2.39 114.58 119.86 4req h GLU 351 Ca 0.20 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 4req h GLU 351 Cb 0.45 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 4req h GLU 351 CO 0.01 0.99 0.26 0.00 -1.00 0.00 0.00 179.01 179.28 4req h ALA 352 N 1.09 1.07 -0.76 3.43 0.00 -0.84 -0.78 119.26 122.48 4req h ALA 352 Ca 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 4req h ALA 352 Cb 0.43 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 4req h ALA 352 CO 0.01 0.64 0.27 0.52 0.00 0.00 0.00 179.25 180.70 4req h MET 353 N 1.08 1.16 -0.15 0.00 2.86 -0.83 -1.65 114.93 117.39 4req h MET 353 Ca 0.24 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 4req h MET 353 Cb 0.26 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 4req h MET 353 CO -0.01 0.96 0.03 0.00 1.06 0.00 0.00 176.91 178.94 4req h ALA 354 N 1.17 0.20 -0.12 6.32 0.00 -1.18 0.28 119.26 125.94 4req h ALA 354 Ca 0.25 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.02 4req h ALA 354 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 4req h ALA 354 CO -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 179.25 179.06 4req h ALA 355 N 0.81 0.07 0.00 0.00 0.00 -1.01 0.65 119.26 119.79 4req h ALA 355 Ca 0.05 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 4req h ALA 355 Cb 0.30 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 4req h ALA 355 CO 0.00 -0.49 -0.60 1.79 0.00 0.00 0.00 179.25 179.95 4req h THR 356 N -0.01 1.26 0.00 0.00 1.35 -1.24 -1.92 112.91 112.35 4req h THR 356 Ca 0.06 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 4req h THR 356 Cb 0.09 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 4req h THR 356 CO -0.13 0.59 -0.16 1.56 -0.25 0.00 0.00 175.52 177.14 4req h GLN 357 N 0.00 0.00 0.00 4.72 4.20 -0.16 -2.16 115.11 121.71 4req h GLN 357 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 4req h GLN 357 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 4req h GLN 357 CO 0.08 0.00 -0.09 0.41 -0.67 0.00 0.00 178.83 178.56 4req n GLY 358 N 1.23 -1.67 2.33 3.46 0.00 0.20 -4.70 105.19 106.04 4req n GLY 358 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 4req n GLY 358 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4req n HIS 359 N -2.25 -1.20 -2.27 1.61 8.25 -0.76 -4.55 115.22 114.05 4req n HIS 359 Ca 0.05 0.45 -0.33 0.00 -0.26 0.00 0.00 57.72 57.63 4req n HIS 359 Cb 0.43 -3.43 -0.01 0.00 1.12 0.00 0.00 29.99 28.11 4req n HIS 359 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 4req s THR 360 N -3.19 3.81 -0.11 1.59 -1.32 -0.97 -4.87 115.64 110.58 4req s THR 360 Ca 0.14 0.97 0.16 0.00 -1.21 0.00 0.00 61.69 61.75 4req s THR 360 Cb -0.02 -3.42 -0.13 0.00 -1.51 0.00 0.00 72.50 67.42 4req s THR 360 CO 0.38 -0.40 0.88 1.56 -2.21 0.00 0.00 174.62 174.83 4req h GLN 361 N 0.93 0.00 -3.56 7.08 7.50 -0.43 -3.42 115.11 123.20 4req h GLN 361 Ca -0.48 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 58.60 4req h GLN 361 Cb 1.22 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 28.62 4req h GLN 361 CO 0.58 0.35 -0.19 -1.54 -1.50 0.00 0.00 178.83 176.53 4req s SER 362 N -5.90 -0.09 -0.07 1.46 1.04 -0.93 -0.96 113.70 108.24 4req s SER 362 Ca -0.02 -0.46 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 4req s SER 362 Cb 0.09 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.65 4req s SER 362 CO 0.81 -0.81 0.34 -0.22 0.98 0.00 0.00 173.24 174.34 4req s LEU 363 N -2.83 0.72 -0.06 2.42 2.96 -0.62 -1.62 118.68 119.65 4req s LEU 363 Ca 0.04 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.38 4req s LEU 363 Cb 0.03 1.28 -0.02 0.00 0.50 0.00 0.00 46.19 47.99 4req s LEU 363 CO -0.11 -0.31 -0.21 -2.28 -1.32 0.00 0.00 176.35 172.11 4req s HIS 364 N -0.66 2.53 -0.14 5.38 5.65 -0.60 -1.23 115.29 126.21 4req s HIS 364 Ca -0.08 -0.51 0.00 0.00 0.25 0.00 0.00 55.06 54.73 4req s HIS 364 Cb -0.04 -1.61 -0.01 0.00 -1.18 0.00 0.00 32.58 29.74 4req s HIS 364 CO 0.03 -0.07 -0.14 0.95 -0.65 0.00 0.00 174.74 174.85 4req s THR 365 N -0.35 2.83 0.96 0.89 -4.23 -1.26 -2.41 115.64 112.07 4req s THR 365 Ca 0.02 -0.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.68 4req s THR 365 Cb -0.12 -2.19 0.17 0.00 1.34 0.00 0.00 72.50 71.70 4req s THR 365 CO 0.02 0.52 1.11 0.20 -0.54 0.00 0.00 174.62 175.93 4req s ASN 366 N 0.59 3.00 0.20 3.99 0.01 -1.26 -4.82 114.94 116.65 4req s ASN 366 Ca -0.09 1.06 0.06 0.00 -0.71 0.00 0.00 52.86 53.19 4req s ASN 366 Cb -0.16 -1.68 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 4req s ASN 366 CO 0.03 -2.88 0.14 -0.44 -1.51 0.00 0.00 177.10 172.44 4req s SER 367 N -3.74 5.44 0.52 -1.22 0.01 -1.26 -4.59 113.70 108.86 4req s SER 367 Ca 0.65 -0.21 0.27 0.00 1.31 0.00 0.00 55.95 57.97 4req s SER 367 Cb -0.17 -1.38 1.40 0.00 0.21 0.00 0.00 66.02 66.08 4req s SER 367 CO 0.56 0.03 1.93 0.17 0.41 0.00 0.00 173.24 176.34 4req h LEU 368 N 2.08 0.05 -1.88 2.44 8.10 -1.87 -2.38 115.31 121.85 4req h LEU 368 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.52 4req h LEU 368 Cb 1.22 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 4req h LEU 368 CO 0.62 0.02 0.00 -0.90 -4.11 0.00 0.00 178.44 174.07 4req n ASP 369 N -4.34 2.74 -0.35 0.17 5.68 -1.26 -4.67 116.55 114.52 4req n ASP 369 Ca 0.15 -2.29 0.25 0.00 -0.50 0.00 0.00 54.79 52.39 4req n ASP 369 Cb 0.77 -0.47 0.49 0.00 -1.14 0.00 0.00 41.12 40.77 4req n ASP 369 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 4req h GLU 370 N 1.86 0.31 -0.27 0.11 4.57 -1.59 -0.01 114.58 119.56 4req h GLU 370 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 4req h GLU 370 Cb 0.95 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 4req h GLU 370 CO 0.16 0.21 0.00 0.00 -1.18 0.00 0.00 179.01 178.19 4req n ALA 371 N -2.34 2.46 -0.02 2.92 0.00 -1.26 -4.42 120.51 117.87 4req n ALA 371 Ca 0.31 -0.78 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 4req n ALA 371 Cb 1.01 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 4req n ALA 371 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 4req n ILE 372 N 1.00 0.17 -3.88 0.00 5.41 -0.19 -4.76 119.36 117.12 4req n ILE 372 Ca 0.18 -0.05 -0.02 0.00 1.00 0.00 0.00 62.75 63.85 4req n ILE 372 Cb 0.49 -1.27 0.02 0.00 -0.71 0.00 0.00 39.64 38.17 4req n ILE 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 4req n ALA 373 N -2.98 -2.57 -1.36 -1.39 0.00 -0.21 -4.53 120.51 107.48 4req n ALA 373 Ca -0.06 -0.93 -0.33 0.00 0.00 0.00 0.00 53.44 52.11 4req n ALA 373 Cb 0.55 0.50 0.08 0.00 0.00 0.00 0.00 19.45 20.58 4req n ALA 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 4req s LEU 374 N 0.00 3.30 0.54 0.00 1.43 -1.26 -4.20 118.68 118.48 4req s LEU 374 Ca 0.22 2.20 -0.22 0.00 -1.03 0.00 0.00 54.13 55.30 4req s LEU 374 Cb -0.02 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 4req s LEU 374 CO 0.05 -2.10 1.32 -2.84 0.23 0.00 0.00 176.35 173.01 4req s PRO 375 N -4.06 3.22 0.66 1.29 0.02 -1.26 -4.03 135.00 130.83 4req s PRO 375 Ca 0.71 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.92 4req s PRO 375 Cb -0.25 -2.26 0.11 0.00 0.02 0.00 0.00 34.50 32.12 4req s PRO 375 CO 0.45 -1.10 0.91 0.95 -0.33 0.00 0.00 177.00 177.88 4req s THR 376 N -1.35 2.13 0.13 0.99 -4.23 -1.26 -4.80 115.64 107.25 4req s THR 376 Ca 0.71 -0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 60.28 4req s THR 376 Cb -0.38 -2.34 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 4req s THR 376 CO 0.45 0.00 1.63 0.44 -0.54 0.00 0.00 174.62 176.61 4req h ASP 377 N -0.22 0.58 0.51 3.99 3.32 -1.98 -0.61 116.42 122.02 4req h ASP 377 Ca -0.33 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.47 4req h ASP 377 Cb 1.28 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.68 4req h ASP 377 CO 0.40 0.65 -0.24 0.15 -1.72 0.00 0.00 179.24 178.47 4req h PHE 378 N 0.48 -0.63 -0.83 4.55 3.57 -1.99 -1.57 116.94 120.52 4req h PHE 378 Ca 0.12 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 4req h PHE 378 Cb 0.29 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 4req h PHE 378 CO 0.01 -0.33 0.51 0.66 -2.23 0.00 0.00 178.31 176.94 4req h SER 379 N -0.86 0.99 0.09 0.41 4.64 -1.93 -2.33 113.55 114.55 4req h SER 379 Ca -0.07 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 4req h SER 379 Cb 0.59 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 4req h SER 379 CO 0.11 0.75 -0.17 0.00 -0.87 0.00 0.00 176.83 176.65 4req h ALA 380 N 1.28 1.51 -0.25 5.18 0.00 -1.11 -2.50 119.26 123.37 4req h ALA 380 Ca 0.30 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 4req h ALA 380 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 4req h ALA 380 CO -0.06 0.35 -0.26 -0.09 0.00 0.00 0.00 179.25 179.19 4req h ARG 381 N 0.17 0.62 -0.02 0.00 2.43 -0.74 -0.97 114.38 115.87 4req h ARG 381 Ca 0.03 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 4req h ARG 381 Cb 0.41 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 4req h ARG 381 CO 0.03 0.94 0.01 0.82 -1.51 0.00 0.00 179.97 180.25 4req h ILE 382 N 0.33 1.04 -0.48 1.20 2.04 -1.31 0.25 117.51 120.58 4req h ILE 382 Ca 0.04 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 65.86 4req h ILE 382 Cb 0.83 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 4req h ILE 382 CO 0.06 0.03 0.14 0.00 0.00 0.00 0.00 178.15 178.39 4req h ALA 383 N 0.97 0.56 -0.36 1.87 0.00 -1.47 0.55 119.26 121.38 4req h ALA 383 Ca 0.01 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 4req h ALA 383 Cb 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 4req h ALA 383 CO -0.00 -0.26 -0.38 -0.09 0.00 0.00 0.00 179.25 178.52 4req h ARG 384 N 0.30 0.86 -0.11 0.00 2.43 -0.93 -3.10 114.38 113.83 4req h ARG 384 Ca 0.23 -0.44 -0.06 0.00 -0.81 0.00 0.00 59.98 58.90 4req h ARG 384 Cb 0.27 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 4req h ARG 384 CO -0.26 1.09 -0.19 -0.91 -1.51 0.00 0.00 179.97 178.18 4req h ASN 385 N 0.70 0.18 -0.19 -3.80 -0.26 0.01 -2.39 115.58 109.83 4req h ASN 385 Ca 0.06 -0.04 0.05 0.00 -0.56 0.00 0.00 56.30 55.81 4req h ASN 385 Cb 0.95 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 38.11 4req h ASN 385 CO 0.09 0.39 -0.20 0.74 -1.06 0.00 0.00 177.43 177.39 4req h THR 386 N 0.17 0.48 -0.28 2.81 2.02 -0.82 0.53 112.91 117.83 4req h THR 386 Ca 0.03 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.07 4req h THR 386 Cb 0.45 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 4req h THR 386 CO 0.03 0.00 -0.41 1.56 0.37 0.00 0.00 175.52 177.07 4req h GLN 387 N -0.22 0.68 -0.40 6.66 4.20 -1.58 -1.97 115.11 122.47 4req h GLN 387 Ca 0.12 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 4req h GLN 387 Cb 0.40 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 4req h GLN 387 CO -0.32 0.96 0.00 -0.07 -0.67 0.00 0.00 178.83 178.73 4req h LEU 388 N 0.55 0.70 -0.20 1.46 3.38 -1.12 -1.24 115.31 118.84 4req h LEU 388 Ca 0.04 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.71 4req h LEU 388 Cb 0.95 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 4req h LEU 388 CO 0.09 0.83 0.12 0.15 0.09 0.00 0.00 178.44 179.72 4req h PHE 389 N 0.54 0.23 -0.73 1.13 3.57 -0.92 0.24 116.94 121.01 4req h PHE 389 Ca 0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 4req h PHE 389 Cb 0.47 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 4req h PHE 389 CO 0.04 0.15 0.34 -0.07 -2.23 0.00 0.00 178.31 176.53 4req h LEU 390 N 0.26 0.96 -0.63 0.59 3.38 -1.07 0.18 115.31 118.98 4req h LEU 390 Ca 0.07 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 4req h LEU 390 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 4req h LEU 390 CO -0.02 0.83 -0.51 1.56 0.09 0.00 0.00 178.44 180.39 4req h GLN 391 N 1.03 0.45 0.08 1.13 4.20 -0.89 -3.31 115.11 117.80 4req h GLN 391 Ca 0.25 -0.27 -0.34 0.00 0.06 0.00 0.00 58.65 58.35 4req h GLN 391 Cb 0.13 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 4req h GLN 391 CO -0.03 0.86 -1.89 1.04 -0.67 0.00 0.00 178.83 178.14 4req n GLN 392 N -3.96 0.70 -0.05 1.46 6.02 0.81 -4.76 117.38 117.59 4req n GLN 392 Ca -0.02 0.33 -0.03 0.00 -0.01 0.00 0.00 57.00 57.26 4req n GLN 392 Cb 0.57 -1.69 -0.11 0.00 1.02 0.00 0.00 30.24 30.03 4req n GLN 392 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 4req n GLU 393 N -3.73 1.44 0.26 -1.09 1.02 0.02 -4.76 120.64 113.80 4req n GLU 393 Ca -0.34 -0.04 0.09 0.00 -0.02 0.00 0.00 57.16 56.84 4req n GLU 393 Cb 0.95 -1.35 0.66 0.00 -0.02 0.00 0.00 31.44 31.68 4req n GLU 393 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 4req h SER 394 N 0.00 0.00 -0.02 1.62 4.64 -1.61 -3.47 113.55 114.72 4req h SER 394 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 4req h SER 394 Cb 1.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 4req h SER 394 CO 0.01 0.04 -0.01 0.61 -0.87 0.00 0.00 176.83 176.62 4req n GLY 395 N -1.38 0.43 0.33 -0.77 0.00 -1.26 -4.92 105.19 97.61 4req n GLY 395 Ca -0.03 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.05 4req n GLY 395 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 4req n THR 396 N -2.81 0.03 -0.01 2.61 -2.24 -1.26 -3.78 114.28 106.82 4req n THR 396 Ca -0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 4req n THR 396 Cb 0.10 0.16 -0.12 0.00 -2.10 0.00 0.00 70.33 68.37 4req n THR 396 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 4req n THR 397 N -0.18 0.96 0.13 4.28 -2.24 -1.26 -4.53 114.28 111.43 4req n THR 397 Ca 0.19 -0.69 0.12 0.00 -2.27 0.00 0.00 64.05 61.40 4req n THR 397 Cb 0.27 -0.49 0.62 0.00 -2.10 0.00 0.00 70.33 68.63 4req n THR 397 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 4req h ARG 398 N 0.00 0.08 -6.26 -0.78 0.11 -1.84 -2.87 114.38 102.82 4req h ARG 398 Ca -0.22 -0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.16 4req h ARG 398 Cb 1.61 -0.02 -0.24 0.00 1.11 0.00 0.00 29.97 32.43 4req h ARG 398 CO 0.03 0.05 -0.78 0.08 0.10 0.00 0.00 179.97 179.45 4req s VAL 399 N -5.12 2.97 -0.20 0.08 1.01 -1.26 -4.58 120.40 113.30 4req s VAL 399 Ca -0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 4req s VAL 399 Cb 0.18 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 4req s VAL 399 CO 0.70 0.59 1.28 -0.63 0.00 0.00 0.00 175.10 177.03 4req s ILE 400 N -0.63 4.23 -0.57 2.22 1.01 -1.26 -3.98 121.20 122.23 4req s ILE 400 Ca 0.09 1.47 -0.21 0.00 0.00 0.00 0.00 60.65 62.00 4req s ILE 400 Cb -0.11 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.35 4req s ILE 400 CO 0.01 -0.23 0.64 -0.67 0.00 0.00 0.00 174.94 174.69 4req n ASP 401 N 6.92 -6.16 -0.35 3.58 2.03 -1.26 -4.86 116.55 116.45 4req n ASP 401 Ca 0.14 -0.18 0.11 0.00 0.52 0.00 0.00 54.79 55.38 4req n ASP 401 Cb 0.45 -2.91 0.31 0.00 -0.72 0.00 0.00 41.12 38.25 4req n ASP 401 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 4req h PRO 402 N 1.33 0.80 0.00 -0.67 0.13 -1.84 -2.07 132.00 129.68 4req h PRO 402 Ca -0.39 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 4req h PRO 402 Cb 1.27 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.22 4req h PRO 402 CO 0.26 0.53 0.00 0.91 -0.23 0.00 0.00 178.00 179.47 4req n TRP 403 N -4.69 0.00 -1.62 1.56 7.02 -1.26 -4.89 117.44 113.56 4req n TRP 403 Ca 0.21 0.00 -0.61 0.00 -1.02 0.00 0.00 57.50 56.09 4req n TRP 403 Cb 0.50 -0.43 -0.08 0.00 -2.42 0.00 0.00 31.31 28.89 4req n TRP 403 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 4req n SER 404 N -1.43 0.94 0.00 -0.99 2.88 -0.78 -0.09 113.62 114.16 4req n SER 404 Ca 0.08 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 4req n SER 404 Cb 0.27 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 4req n SER 404 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4req n GLY 405 N 2.80 2.72 3.59 0.46 0.00 -1.26 -5.01 105.19 108.49 4req n GLY 405 Ca 0.24 -0.08 -0.58 0.00 0.00 0.00 0.00 46.02 45.61 4req n GLY 405 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4req n SER 406 N 0.55 1.01 -0.10 1.61 2.88 0.88 -4.81 113.62 115.64 4req n SER 406 Ca 0.00 1.14 -0.10 0.00 -1.33 0.00 0.00 58.87 58.58 4req n SER 406 Cb 0.00 -1.03 -0.02 0.00 -0.75 0.00 0.00 64.21 62.40 4req n SER 406 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 4req h ALA 407 N 4.31 0.40 -0.01 -1.46 0.00 -1.88 0.60 119.26 121.21 4req h ALA 407 Ca -0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 4req h ALA 407 Cb 1.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 4req h ALA 407 CO 0.77 -0.03 0.01 -0.92 0.00 0.00 0.00 179.25 179.08 4req h TYR 408 N 0.36 0.01 -0.52 0.00 3.20 -1.89 -1.64 116.97 116.49 4req h TYR 408 Ca 0.11 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 4req h TYR 408 Cb 0.14 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 4req h TYR 408 CO -0.01 0.05 0.17 0.28 -1.64 0.00 0.00 178.16 177.01 4req h VAL 409 N -0.03 1.23 -0.55 1.81 2.07 -1.88 -1.70 116.25 117.20 4req h VAL 409 Ca 0.00 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 4req h VAL 409 Cb 0.04 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 4req h VAL 409 CO -0.00 0.28 0.09 -0.33 0.02 0.00 0.00 177.57 177.63 4req h GLU 410 N 0.71 0.91 -0.39 1.57 4.39 -0.90 -1.48 114.58 119.40 4req h GLU 410 Ca 0.17 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.65 4req h GLU 410 Cb 0.26 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 4req h GLU 410 CO -0.01 0.88 0.22 1.49 -1.16 0.00 0.00 179.01 180.43 4req h GLU 411 N 0.80 0.43 -0.79 2.33 4.57 -0.97 -1.65 114.58 119.29 4req h GLU 411 Ca 0.17 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 4req h GLU 411 Cb 0.41 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 4req h GLU 411 CO 0.01 0.28 0.42 -0.07 -1.18 0.00 0.00 179.01 178.48 4req h LEU 412 N 0.44 0.99 -0.08 1.64 3.38 -1.17 -0.46 115.31 120.07 4req h LEU 412 Ca 0.16 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.03 4req h LEU 412 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 4req h LEU 412 CO -0.08 0.81 0.00 0.74 0.09 0.00 0.00 178.44 180.00 4req h THR 413 N 1.10 0.95 -0.40 0.22 2.02 -1.01 0.14 112.91 115.93 4req h THR 413 Ca 0.28 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.41 4req h THR 413 Cb 0.05 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 4req h THR 413 CO -0.04 0.01 0.10 -0.25 0.37 0.00 0.00 175.52 175.70 4req h TRP 414 N 0.03 0.66 -0.15 3.16 -0.00 -0.99 -0.42 115.95 118.23 4req h TRP 414 Ca 0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 58.84 4req h TRP 414 Cb 0.04 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.00 4req h TRP 414 CO -0.11 0.64 0.06 -0.44 -0.00 0.00 0.00 178.44 178.58 4req h ASP 415 N 0.50 0.21 -0.29 2.65 3.32 -0.93 -1.73 116.42 120.15 4req h ASP 415 Ca 0.12 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 56.84 4req h ASP 415 Cb 0.30 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 4req h ASP 415 CO 0.00 0.33 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.34 4req h LEU 416 N 0.09 0.89 -0.22 1.55 3.38 -0.72 -1.80 115.31 118.48 4req h LEU 416 Ca 0.05 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.51 4req h LEU 416 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 4req h LEU 416 CO -0.00 1.23 0.14 0.00 0.09 0.00 0.00 178.44 179.90 4req h ALA 417 N 0.68 0.27 -0.25 1.53 0.00 -1.03 0.34 119.26 120.81 4req h ALA 417 Ca 0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 4req h ALA 417 Cb 1.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 4req h ALA 417 CO 0.10 -0.25 -0.27 0.00 0.00 0.00 0.00 179.25 178.83 4req h ARG 418 N 0.29 0.62 -0.18 0.00 3.08 -1.33 -1.69 114.38 115.17 4req h ARG 418 Ca 0.08 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 4req h ARG 418 Cb -0.03 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 4req h ARG 418 CO -0.02 0.94 0.09 0.87 -1.07 0.00 0.00 179.97 180.79 4req h LYS 419 N 0.33 0.26 -0.51 0.04 1.57 -1.26 -2.31 116.57 114.69 4req h LYS 419 Ca 0.04 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 4req h LYS 419 Cb 0.84 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 4req h LYS 419 CO 0.07 0.27 -0.06 0.00 -0.57 0.00 0.00 179.45 179.15 4req h ALA 420 N 0.98 0.94 -0.45 3.86 0.00 -0.98 -2.73 119.26 120.88 4req h ALA 420 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 4req h ALA 420 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 4req h ALA 420 CO -0.01 0.63 0.07 2.35 0.00 0.00 0.00 179.25 182.28 4req h TRP 421 N 0.82 0.72 -0.44 0.00 2.91 -1.23 -1.89 115.95 116.84 4req h TRP 421 Ca 0.14 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 60.06 4req h TRP 421 Cb 0.57 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.99 4req h TRP 421 CO 0.03 0.64 0.16 0.78 -1.03 0.00 0.00 178.44 179.03 4req h GLY 422 N 0.91 0.71 1.21 2.65 0.00 -1.18 -2.37 103.07 105.00 4req h GLY 422 Ca 0.15 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 4req h GLY 422 CO 0.00 0.38 0.00 0.45 0.00 0.00 0.00 176.54 177.38 4req h HIS 423 N 0.56 1.02 -0.40 5.60 3.86 -1.18 -2.75 115.15 121.87 4req h HIS 423 Ca 0.14 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 4req h HIS 423 Cb 0.22 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 4req h HIS 423 CO 0.01 0.91 -0.01 0.82 0.86 0.00 0.00 177.93 180.52 4req h ILE 424 N 0.87 1.22 -0.04 2.45 2.04 -1.16 -0.80 117.51 122.09 4req h ILE 424 Ca 0.16 -0.91 -0.20 0.00 1.00 0.00 0.00 64.86 64.92 4req h ILE 424 Cb 0.51 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 4req h ILE 424 CO 0.03 0.31 -0.82 1.56 0.00 0.00 0.00 178.15 179.23 4req h GLN 425 N 0.61 0.39 0.11 2.37 4.20 -1.36 -1.21 115.11 120.22 4req h GLN 425 Ca 0.12 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 4req h GLN 425 Cb 0.40 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.27 4req h GLN 425 CO 0.02 1.02 -0.05 0.93 -0.67 0.00 0.00 178.83 180.07 4req h GLU 426 N 0.25 -0.14 -0.13 1.46 5.08 -1.29 -2.66 114.58 117.15 4req h GLU 426 Ca -0.05 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 4req h GLU 426 Cb 1.42 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.65 4req h GLU 426 CO 0.14 0.27 -0.21 0.28 -1.00 0.00 0.00 179.01 178.49 4req h VAL 427 N -0.59 0.47 -0.15 3.13 2.07 -1.17 -2.51 116.25 117.50 4req h VAL 427 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 4req h VAL 427 Cb 0.48 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 4req h VAL 427 CO 0.02 0.00 0.10 -0.33 0.02 0.00 0.00 177.57 177.38 4req h GLU 428 N -0.27 0.14 -0.43 1.57 4.39 -1.24 -2.59 114.58 116.16 4req h GLU 428 Ca 0.10 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 4req h GLU 428 Cb 0.42 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 4req h GLU 428 CO -0.28 0.10 0.04 0.87 -1.16 0.00 0.00 179.01 178.57 4req h LYS 429 N 0.15 0.67 -0.00 2.33 6.56 -1.08 -2.97 116.57 122.23 4req h LYS 429 Ca 0.06 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 4req h LYS 429 Cb 0.06 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 4req h LYS 429 CO -0.01 0.66 -0.01 0.28 -2.06 0.00 0.00 179.45 178.31 4req n VAL 430 N -4.26 0.00 0.00 0.50 0.31 -1.01 -4.90 118.33 108.96 4req n VAL 430 Ca 0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 4req n VAL 430 Cb 0.25 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 4req n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4req n GLY 431 N 1.07 0.74 0.00 2.92 0.00 -1.12 -4.76 105.19 104.04 4req n GLY 431 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 4req n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 432 N -1.87 0.91 0.19 -0.02 0.00 -1.01 -4.67 105.19 98.73 4req n GLY 432 Ca 0.00 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.73 4req n GLY 432 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 4req h MET 433 N 0.00 0.48 -0.39 1.61 2.86 -1.83 -2.58 114.93 115.08 4req h MET 433 Ca 0.00 -0.37 0.02 0.00 -2.06 0.00 0.00 59.70 57.29 4req h MET 433 Cb 0.00 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 4req h MET 433 CO 0.00 1.00 0.22 0.00 1.06 0.00 0.00 176.91 179.19 4req h ALA 434 N 0.90 0.49 -0.57 6.32 0.00 -1.94 0.38 119.26 124.84 4req h ALA 434 Ca -0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 4req h ALA 434 Cb 1.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 4req h ALA 434 CO 0.12 -0.12 0.07 0.87 0.00 0.00 0.00 179.25 180.20 4req h LYS 435 N 0.46 0.93 -0.24 0.00 1.57 -1.83 -1.63 116.57 115.82 4req h LYS 435 Ca 0.16 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 4req h LYS 435 Cb 0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 4req h LYS 435 CO -0.08 0.87 -0.27 0.00 -0.57 0.00 0.00 179.45 179.41 4req h ALA 436 N 1.20 0.36 -0.45 3.86 0.00 -1.02 -2.95 119.26 120.26 4req h ALA 436 Ca 0.18 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 4req h ALA 436 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 4req h ALA 436 CO 0.01 0.35 0.13 0.82 0.00 0.00 0.00 179.25 180.56 4req h ILE 437 N 0.32 1.23 -0.60 0.00 2.04 -0.13 -3.08 117.51 117.29 4req h ILE 437 Ca 0.04 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.20 4req h ILE 437 Cb 0.83 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 4req h ILE 437 CO 0.06 0.28 0.26 -0.33 0.00 0.00 0.00 178.15 178.42 4req h GLU 438 N 0.60 0.45 0.00 2.37 5.08 -1.21 -2.38 114.58 119.49 4req h GLU 438 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 4req h GLU 438 Cb 0.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.44 4req h GLU 438 CO -0.00 0.30 0.00 1.63 -1.00 0.00 0.00 179.01 179.94 4req n LYS 439 N -4.94 0.17 -0.98 2.33 5.02 -1.12 -4.90 118.16 113.73 4req n LYS 439 Ca 0.08 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 4req n LYS 439 Cb 0.24 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 4req n LYS 439 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 4req n GLY 440 N -0.73 0.50 0.43 0.72 0.00 -0.90 -4.99 105.19 100.22 4req n GLY 440 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 4req n GLY 440 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 4req h ILE 441 N 0.00 0.21 -0.58 -0.61 1.08 -1.81 -2.71 117.51 113.08 4req h ILE 441 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 4req h ILE 441 Cb 0.00 0.21 -0.09 0.00 -3.07 0.00 0.00 36.82 33.86 4req h ILE 441 CO 0.00 0.00 -0.56 -0.65 -0.69 0.00 0.00 178.15 176.25 4req h PRO 442 N -1.03 -0.27 -0.73 2.37 0.11 -1.91 0.11 132.00 130.66 4req h PRO 442 Ca -0.10 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.11 4req h PRO 442 Cb 0.81 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 4req h PRO 442 CO 0.13 -0.18 0.41 -0.22 -0.21 0.00 0.00 178.00 177.93 4req h LYS 443 N -0.28 0.70 -0.47 1.05 3.64 -1.80 -1.86 116.57 117.55 4req h LYS 443 Ca 0.11 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 4req h LYS 443 Cb 0.55 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 4req h LYS 443 CO -0.70 0.46 -0.08 0.52 -2.27 0.00 0.00 179.45 177.39 4req h MET 444 N 0.72 0.82 -0.20 1.90 2.86 -0.73 -0.20 114.93 120.10 4req h MET 444 Ca 0.34 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 4req h MET 444 Cb 0.27 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 4req h MET 444 CO -0.22 0.87 0.13 -0.09 1.06 0.00 0.00 176.91 178.67 4req h ARG 445 N 0.75 0.27 -0.21 1.72 9.65 -0.33 0.08 114.38 126.31 4req h ARG 445 Ca 0.13 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 4req h ARG 445 Cb 0.56 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 4req h ARG 445 CO 0.03 0.18 0.10 0.82 2.80 0.00 0.00 179.97 183.91 4req h ILE 446 N 0.27 1.13 -0.25 1.20 2.04 -1.21 -2.64 117.51 118.05 4req h ILE 446 Ca 0.07 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 4req h ILE 446 Cb -0.03 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 4req h ILE 446 CO -0.02 0.13 -0.07 -0.33 0.00 0.00 0.00 178.15 177.87 4req h GLU 447 N 0.22 0.40 -0.39 2.37 5.08 -0.74 -1.15 114.58 120.37 4req h GLU 447 Ca 0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 4req h GLU 447 Cb 0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 4req h GLU 447 CO -0.01 0.48 0.20 0.93 -1.00 0.00 0.00 179.01 179.61 4req h GLU 448 N 0.38 0.55 -0.57 2.33 5.08 -0.69 -0.74 114.58 120.92 4req h GLU 448 Ca 0.08 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 4req h GLU 448 Cb 0.36 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 4req h GLU 448 CO 0.02 0.47 0.38 0.00 -1.00 0.00 0.00 179.01 178.88 4req h ALA 449 N 1.05 0.72 -0.42 3.43 0.00 -1.17 -1.23 119.26 121.64 4req h ALA 449 Ca 0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 4req h ALA 449 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 4req h ALA 449 CO -0.02 0.16 -0.06 0.00 0.00 0.00 0.00 179.25 179.33 4req h ALA 450 N 1.21 1.11 -0.13 0.00 0.00 -0.89 -1.59 119.26 118.97 4req h ALA 450 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 4req h ALA 450 Cb -0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 4req h ALA 450 CO -0.05 0.56 -0.18 0.00 0.00 0.00 0.00 179.25 179.58 4req h ALA 451 N 1.27 0.20 -0.15 0.00 0.00 -0.77 -1.96 119.26 117.85 4req h ALA 451 Ca 0.12 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.72 4req h ALA 451 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 4req h ALA 451 CO 0.03 0.12 -0.09 0.00 0.00 0.00 0.00 179.25 179.30 4req h ARG 452 N -0.04 -0.09 -0.35 0.00 3.08 -1.10 -0.72 114.38 115.16 4req h ARG 452 Ca 0.01 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.09 4req h ARG 452 Cb 0.74 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 4req h ARG 452 CO 0.04 -0.06 0.18 1.15 -1.07 0.00 0.00 179.97 180.22 4req h THR 453 N -0.09 0.99 -0.60 2.04 2.02 -1.33 -1.83 112.91 114.12 4req h THR 453 Ca 0.09 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.17 4req h THR 453 Cb 0.22 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 4req h THR 453 CO -0.20 0.07 0.36 -0.61 0.37 0.00 0.00 175.52 175.51 4req h GLN 454 N 0.37 0.69 -0.20 6.66 5.75 -0.76 -1.45 115.11 126.18 4req h GLN 454 Ca 0.15 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 4req h GLN 454 Cb 0.05 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 4req h GLN 454 CO -0.10 0.45 -0.03 0.00 -2.65 0.00 0.00 178.83 176.51 4req h ALA 455 N 1.27 0.16 -0.64 3.38 0.00 -0.76 0.18 119.26 122.84 4req h ALA 455 Ca 0.24 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.25 4req h ALA 455 Cb 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 4req h ALA 455 CO -0.11 -0.45 0.40 0.00 0.00 0.00 0.00 179.25 179.09 4req h ARG 456 N 0.03 0.77 -0.17 0.00 3.08 -1.08 -0.16 114.38 116.84 4req h ARG 456 Ca 0.10 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 4req h ARG 456 Cb 0.14 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.02 4req h ARG 456 CO -0.19 0.51 -0.53 0.82 -1.07 0.00 0.00 179.97 179.52 4req h ILE 457 N 0.79 1.32 -0.71 2.04 2.04 -0.94 -1.51 117.51 120.54 4req h ILE 457 Ca 0.25 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 4req h ILE 457 Cb -0.00 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 4req h ILE 457 CO -0.09 0.55 0.32 0.44 0.00 0.00 0.00 178.15 179.36 4req h ASP 458 N 0.34 0.96 0.75 1.72 3.32 -0.45 -2.70 116.42 120.36 4req h ASP 458 Ca -0.02 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.74 4req h ASP 458 Cb 1.15 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 4req h ASP 458 CO 0.11 0.84 -0.67 0.77 -1.72 0.00 0.00 179.24 178.58 4req h SER 459 N 1.01 0.00 0.00 6.45 4.64 -1.10 -3.48 113.55 121.07 4req h SER 459 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 4req h SER 459 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 4req h SER 459 CO -0.03 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 4req n GLY 460 N 0.50 0.54 0.08 -0.77 0.00 -0.80 -4.98 105.19 99.76 4req n GLY 460 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 4req n GLY 460 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 4req h ARG 461 N 3.04 0.16 -5.00 1.61 -0.00 -1.59 -3.35 114.38 109.26 4req h ARG 461 Ca 0.00 -0.01 -0.67 0.00 -0.50 0.00 0.00 59.98 58.80 4req h ARG 461 Cb 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 29.97 29.76 4req h ARG 461 CO 0.00 0.14 -0.19 -1.14 0.00 0.00 0.00 179.97 178.78 4req s GLN 462 N -6.05 3.38 0.54 0.04 0.74 -0.71 -5.01 119.66 112.60 4req s GLN 462 Ca -0.13 -0.49 -0.21 0.00 0.05 0.00 0.00 55.36 54.57 4req s GLN 462 Cb 0.07 -3.87 -0.05 0.00 1.10 0.00 0.00 33.01 30.26 4req s GLN 462 CO 0.68 -0.70 1.31 -2.14 -0.55 0.00 0.00 175.29 173.90 4req s PRO 463 N 2.18 3.18 -0.35 1.67 0.02 -1.26 -4.37 135.00 136.08 4req s PRO 463 Ca 0.14 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.31 4req s PRO 463 Cb -0.16 -2.23 0.15 0.00 0.02 0.00 0.00 34.50 32.28 4req s PRO 463 CO 0.13 -1.12 0.37 -1.17 -0.33 0.00 0.00 177.00 174.88 4req s LEU 464 N -3.55 -0.19 0.20 -5.54 2.96 -1.26 -5.05 118.68 106.25 4req s LEU 464 Ca 0.72 -1.30 -0.32 0.00 -0.22 0.00 0.00 54.13 53.00 4req s LEU 464 Cb -0.38 0.63 -0.12 0.00 0.50 0.00 0.00 46.19 46.82 4req s LEU 464 CO 0.44 -0.29 1.73 -0.38 -1.32 0.00 0.00 176.35 176.53 4req n ILE 465 N 4.55 0.04 -0.29 6.68 2.08 -1.26 -1.84 119.36 129.32 4req n ILE 465 Ca 0.08 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.38 4req n ILE 465 Cb 0.46 -1.97 0.00 0.00 -0.75 0.00 0.00 39.64 37.38 4req n ILE 465 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 4req n GLY 466 N 3.97 1.62 0.57 7.39 0.00 0.22 -4.85 105.19 114.11 4req n GLY 466 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 4req n GLY 466 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 4req n VAL 467 N -2.00 0.52 -0.04 1.61 0.31 -0.77 -4.47 118.33 113.49 4req n VAL 467 Ca 0.00 0.25 0.04 0.00 -0.01 0.00 0.00 64.34 64.62 4req n VAL 467 Cb 0.00 -1.50 0.09 0.00 -0.91 0.00 0.00 33.84 31.52 4req n VAL 467 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 4req n ASN 468 N -3.05 2.46 -3.64 4.52 0.23 -0.88 -4.79 115.26 110.11 4req n ASN 468 Ca -0.02 -1.88 -0.07 0.00 -0.53 0.00 0.00 54.58 52.08 4req n ASN 468 Cb 0.09 -0.13 -0.07 0.00 -2.08 0.00 0.00 39.78 37.59 4req n ASN 468 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 4req s LYS 469 N -0.94 0.69 -1.23 -3.83 2.20 -1.24 -4.92 119.74 110.47 4req s LYS 469 Ca 0.15 1.20 -0.03 0.00 -0.36 0.00 0.00 55.97 56.93 4req s LYS 469 Cb 0.08 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 4req s LYS 469 CO 0.11 -0.15 0.81 0.66 -0.36 0.00 0.00 175.35 176.42 4req n TYR 470 N 4.32 -2.06 -2.23 4.03 4.01 -1.26 -0.61 117.16 123.35 4req n TYR 470 Ca -0.20 0.83 -0.37 0.00 -0.16 0.00 0.00 57.90 58.00 4req n TYR 470 Cb 0.59 -4.44 -0.01 0.00 -0.31 0.00 0.00 39.34 35.17 4req n TYR 470 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 4req s ARG 471 N -5.60 3.76 0.36 -0.72 1.81 -1.26 -3.85 118.95 113.44 4req s ARG 471 Ca 0.11 1.81 -0.19 0.00 -1.72 0.00 0.00 55.73 55.74 4req s ARG 471 Cb -0.02 -2.43 -0.10 0.00 -0.45 0.00 0.00 34.95 31.95 4req s ARG 471 CO 0.79 -0.56 0.85 -0.51 -0.68 0.00 0.00 175.30 175.18 4req s LEU 472 N -2.99 4.06 0.03 2.53 1.43 -1.26 -4.99 118.68 117.49 4req s LEU 472 Ca 0.63 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 4req s LEU 472 Cb -0.29 -4.24 -0.07 0.00 0.03 0.00 0.00 46.19 41.62 4req s LEU 472 CO 0.36 -0.24 1.22 -0.33 0.23 0.00 0.00 176.35 177.58 4req h GLU 473 N 2.28 -0.41 -6.21 1.70 4.39 -2.01 -3.43 114.58 110.90 4req h GLU 473 Ca -0.48 0.03 -0.62 0.00 0.34 0.00 0.00 59.36 58.63 4req h GLU 473 Cb 1.18 0.09 -0.28 0.00 -0.10 0.00 0.00 28.75 29.64 4req h GLU 473 CO 0.63 -0.27 -0.86 -1.01 -1.16 0.00 0.00 179.01 176.34 4req s HIS 474 N -4.11 1.96 -0.15 4.33 3.76 -1.26 -5.11 115.29 114.70 4req s HIS 474 Ca -0.07 -0.38 -0.23 0.00 -0.15 0.00 0.00 55.06 54.23 4req s HIS 474 Cb 0.01 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.46 4req s HIS 474 CO 0.23 0.03 0.74 -1.21 -0.85 0.00 0.00 174.74 173.68 4req s GLU 475 N -0.83 4.31 0.63 1.40 0.41 -1.26 -5.04 118.70 118.32 4req s GLU 475 Ca 0.09 0.86 -0.17 0.00 -0.41 0.00 0.00 54.97 55.33 4req s GLU 475 Cb -0.09 -3.54 -0.01 0.00 -1.78 0.00 0.00 34.13 28.71 4req s GLU 475 CO 0.00 -0.19 1.20 -2.14 -0.49 0.00 0.00 175.26 173.64 4req s PRO 476 N 1.71 2.75 0.37 0.39 0.02 -1.26 -4.95 135.00 134.03 4req s PRO 476 Ca 0.35 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.86 4req s PRO 476 Cb -0.17 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 4req s PRO 476 CO 0.13 -1.36 1.45 -1.25 -0.33 0.00 0.00 177.00 175.64 4req s PRO 477 N -3.55 4.16 -0.09 5.54 0.04 -1.26 -5.02 135.00 134.82 4req s PRO 477 Ca 0.76 2.50 0.01 0.00 0.04 0.00 0.00 61.00 64.31 4req s PRO 477 Cb -0.29 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.28 4req s PRO 477 CO 0.37 -0.47 -0.11 -1.17 0.04 0.00 0.00 177.00 175.66 4req s LEU 478 N -2.03 1.49 -0.25 -3.56 2.96 -1.26 -5.11 118.68 110.93 4req s LEU 478 Ca 0.52 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 4req s LEU 478 Cb -0.45 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.39 4req s LEU 478 CO 0.61 -0.02 1.11 -1.81 -1.32 0.00 0.00 176.35 174.91 4req s ASP 479 N 1.08 7.00 0.20 3.68 1.11 -1.26 -5.03 116.67 123.43 4req s ASP 479 Ca -0.07 1.34 0.11 0.00 0.18 0.00 0.00 52.55 54.11 4req s ASP 479 Cb -0.14 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.26 4req s ASP 479 CO -0.01 -0.77 -0.23 0.68 1.18 0.00 0.00 175.17 176.01 4req s VAL 480 N 3.46 2.31 0.14 -1.27 -7.23 -1.26 -4.94 120.40 111.60 4req s VAL 480 Ca 0.47 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.29 4req s VAL 480 Cb -0.16 -2.11 -0.08 0.00 0.56 0.00 0.00 36.38 34.60 4req s VAL 480 CO 0.11 -0.15 1.35 -0.22 -0.31 0.00 0.00 175.10 175.88 4req s LEU 481 N -2.72 4.38 -0.14 1.32 2.96 -1.26 -5.00 118.68 118.23 4req s LEU 481 Ca 0.21 2.33 0.02 0.00 -0.22 0.00 0.00 54.13 56.47 4req s LEU 481 Cb -0.08 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.03 4req s LEU 481 CO 0.10 -0.60 -0.21 -0.75 -1.32 0.00 0.00 176.35 173.57 4req s LYS 482 N 0.73 3.06 -0.03 1.98 2.20 -1.26 -4.53 119.74 121.89 4req s LYS 482 Ca 0.62 -0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 55.24 4req s LYS 482 Cb -0.36 -2.46 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 4req s LYS 482 CO 0.33 0.01 0.41 0.08 -0.36 0.00 0.00 175.35 175.82 4req s VAL 483 N 0.77 5.07 -0.63 4.02 1.01 -1.26 -5.01 120.40 124.37 4req s VAL 483 Ca -0.08 0.84 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 4req s VAL 483 Cb -0.16 -3.73 0.11 0.00 0.00 0.00 0.00 36.38 32.61 4req s VAL 483 CO -0.01 0.52 0.74 -0.62 0.00 0.00 0.00 175.10 175.74 4req s ASP 484 N -0.69 6.25 0.19 3.32 2.15 -1.26 -4.94 116.67 121.69 4req s ASP 484 Ca 0.24 -1.56 -0.12 0.00 0.43 0.00 0.00 52.55 51.54 4req s ASP 484 Cb -0.16 -2.30 0.18 0.00 -0.30 0.00 0.00 42.92 40.34 4req s ASP 484 CO 0.12 -1.08 1.77 -1.13 -0.17 0.00 0.00 175.17 174.68 4req h ASN 485 N 9.07 0.30 -0.78 -0.34 -0.73 -1.95 -2.83 115.58 118.33 4req h ASN 485 Ca -0.24 0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.03 4req h ASN 485 Cb 1.08 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.62 4req h ASN 485 CO 1.08 0.20 0.51 0.77 -0.37 0.00 0.00 177.43 179.62 4req h SER 486 N 0.45 0.78 0.77 1.15 4.64 -1.93 -2.06 113.55 117.35 4req h SER 486 Ca 0.25 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.34 4req h SER 486 Cb 0.22 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 4req h SER 486 CO -0.21 0.52 -1.04 0.00 -0.87 0.00 0.00 176.83 175.23 4req h THR 487 N 0.90 1.59 0.04 2.95 1.03 -1.95 -2.77 112.91 114.70 4req h THR 487 Ca 0.32 -3.08 -0.00 0.00 -0.01 0.00 0.00 66.41 63.64 4req h THR 487 Cb 0.14 2.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 4req h THR 487 CO -0.10 0.89 -0.02 0.58 -0.01 0.00 0.00 175.52 176.86 4req h VAL 488 N 0.05 1.16 -0.08 0.00 2.07 -1.26 -2.18 116.25 116.03 4req h VAL 488 Ca -0.06 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.84 4req h VAL 488 Cb 1.75 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 33.07 4req h VAL 488 CO 0.15 0.17 -0.32 0.25 0.02 0.00 0.00 177.57 177.84 4req h LEU 489 N -0.35 -0.98 -0.41 2.57 5.85 -1.47 -1.10 115.31 119.42 4req h LEU 489 Ca -0.01 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.87 4req h LEU 489 Cb 0.32 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 4req h LEU 489 CO 0.01 -0.37 0.23 0.00 -0.34 0.00 0.00 178.44 177.97 4req h ALA 490 N 0.35 0.52 -0.53 1.25 0.00 -1.46 -0.61 119.26 118.78 4req h ALA 490 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 490 Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 4req h ALA 490 CO -0.32 -0.10 0.34 0.93 0.00 0.00 0.00 179.25 180.10 4req h GLU 491 N 0.47 0.71 -0.17 0.00 5.08 -1.01 -1.67 114.58 117.99 4req h GLU 491 Ca 0.17 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 4req h GLU 491 Cb 0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 4req h GLU 491 CO -0.09 0.49 0.04 1.96 -1.00 0.00 0.00 179.01 180.42 4req h GLN 492 N 0.72 0.28 -0.33 2.33 1.08 -1.01 -2.24 115.11 115.93 4req h GLN 492 Ca 0.19 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 4req h GLN 492 Cb -0.05 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.27 4req h GLN 492 CO -0.04 0.42 -0.12 0.87 -0.95 0.00 0.00 178.83 179.01 4req h LYS 493 N 0.09 -0.05 -0.83 1.46 1.57 -0.87 -2.09 116.57 115.85 4req h LYS 493 Ca 0.05 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 4req h LYS 493 Cb 0.27 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 4req h LYS 493 CO 0.00 -0.04 0.54 0.00 -0.57 0.00 0.00 179.45 179.39 4req h ALA 494 N 1.24 1.59 -0.55 3.86 0.00 -1.16 -2.66 119.26 121.57 4req h ALA 494 Ca 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 4req h ALA 494 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 4req h ALA 494 CO -0.37 0.29 0.04 0.87 0.00 0.00 0.00 179.25 180.08 4req h LYS 495 N 0.92 0.95 0.00 0.00 1.57 -0.78 -2.56 116.57 116.67 4req h LYS 495 Ca 0.35 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 4req h LYS 495 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 4req h LYS 495 CO -0.13 0.94 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.32 4req h LEU 496 N 0.83 0.00 0.12 2.94 3.38 -1.11 -0.38 115.31 121.10 4req h LEU 496 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 4req h LEU 496 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 4req h LEU 496 CO 0.02 0.30 -0.06 0.58 0.09 0.00 0.00 178.44 179.37 4req h VAL 497 N 0.00 0.98 0.43 1.22 2.07 -1.48 -2.36 116.25 117.11 4req h VAL 497 Ca -0.00 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 4req h VAL 497 Cb 0.89 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 4req h VAL 497 CO 0.04 0.26 -0.51 0.50 0.02 0.00 0.00 177.57 177.88 4req h LYS 498 N -0.84 -0.93 -0.78 1.57 3.64 -1.39 -1.98 116.57 115.85 4req h LYS 498 Ca -0.02 0.06 0.17 0.00 -1.27 0.00 0.00 60.65 59.60 4req h LYS 498 Cb 0.55 0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 32.48 4req h LYS 498 CO 0.03 -0.62 0.27 1.25 -2.27 0.00 0.00 179.45 178.10 4req h LEU 499 N -0.97 0.17 -0.92 5.20 5.85 -1.13 0.95 115.31 124.47 4req h LEU 499 Ca -0.05 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 4req h LEU 499 Cb 0.86 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 4req h LEU 499 CO -0.11 0.02 0.05 0.03 -0.34 0.00 0.00 178.44 178.09 4req h ARG 500 N 0.36 0.85 -0.05 1.25 3.08 -1.23 -0.99 114.38 117.64 4req h ARG 500 Ca 0.45 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 4req h ARG 500 Cb 0.77 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.71 4req h ARG 500 CO -0.48 0.82 -0.30 0.00 -1.07 0.00 0.00 179.97 178.93 4req h ALA 501 N 1.25 0.11 0.00 0.04 0.00 -0.71 -3.33 119.26 116.63 4req h ALA 501 Ca 0.16 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 4req h ALA 501 Cb 0.41 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 4req h ALA 501 CO 0.01 0.16 -0.52 0.93 0.00 0.00 0.00 179.25 179.83 4req h GLU 502 N -0.22 0.00 -7.17 0.00 3.07 -0.74 -3.46 114.58 106.06 4req h GLU 502 Ca -0.02 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.35 4req h GLU 502 Cb 0.97 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.93 4req h GLU 502 CO 0.06 0.52 0.23 -0.98 -1.40 0.00 0.00 179.01 177.44 4req s ARG 503 N -3.47 3.11 -0.38 2.33 1.70 -0.39 -5.04 118.95 116.81 4req s ARG 503 Ca 0.00 0.20 -0.20 0.00 -0.47 0.00 0.00 55.73 55.27 4req s ARG 503 Cb 0.11 -2.23 0.01 0.00 -0.57 0.00 0.00 34.95 32.27 4req s ARG 503 CO 0.73 -0.64 0.60 0.34 -1.08 0.00 0.00 175.30 175.25 4req s ASP 504 N -4.26 6.35 0.47 -2.89 -1.08 -1.26 -4.96 116.67 109.05 4req s ASP 504 Ca 0.53 -0.09 0.31 0.00 -0.52 0.00 0.00 52.55 52.78 4req s ASP 504 Cb -0.11 -2.31 1.31 0.00 -1.46 0.00 0.00 42.92 40.36 4req s ASP 504 CO 0.47 -0.63 1.92 1.55 0.52 0.00 0.00 175.17 179.01 4req h PRO 505 N 8.61 0.00 0.49 4.34 0.13 -1.95 -2.93 132.00 140.69 4req h PRO 505 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 4req h PRO 505 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 4req h PRO 505 CO 0.84 0.00 -0.23 1.05 -0.23 0.00 0.00 178.00 179.42 4req h GLU 506 N 0.00 -0.63 -0.58 0.86 9.09 -1.99 -2.85 114.58 118.47 4req h GLU 506 Ca 0.00 0.04 0.12 0.00 0.05 0.00 0.00 59.36 59.57 4req h GLU 506 Cb 0.43 0.14 -0.10 0.00 -1.65 0.00 0.00 28.75 27.58 4req h GLU 506 CO 0.00 -0.42 0.01 0.87 0.05 0.00 0.00 179.01 179.52 4req h LYS 507 N -1.04 0.12 0.07 1.06 1.57 -1.96 -1.69 116.57 114.70 4req h LYS 507 Ca -0.07 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 4req h LYS 507 Cb 0.50 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 4req h LYS 507 CO 0.11 0.08 -0.16 0.28 -0.57 0.00 0.00 179.45 179.19 4req h VAL 508 N 0.12 0.62 -0.83 0.50 2.07 -1.63 0.23 116.25 117.34 4req h VAL 508 Ca 0.30 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.79 4req h VAL 508 Cb 0.47 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 4req h VAL 508 CO -0.49 0.00 0.40 0.50 0.02 0.00 0.00 177.57 178.00 4req h LYS 509 N -0.30 1.19 0.19 1.57 3.64 -1.21 0.31 116.57 121.96 4req h LYS 509 Ca 0.03 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 4req h LYS 509 Cb 0.33 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 4req h LYS 509 CO -0.11 0.92 -0.09 0.00 -2.27 0.00 0.00 179.45 177.90 4req h ALA 510 N 1.21 -0.26 -0.26 5.00 0.00 -1.07 0.74 119.26 124.62 4req h ALA 510 Ca 0.28 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.08 4req h ALA 510 Cb 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 4req h ALA 510 CO -0.04 -0.52 0.06 0.00 0.00 0.00 0.00 179.25 178.76 4req h ALA 511 N 0.23 0.28 0.49 0.00 0.00 -0.38 0.21 119.26 120.09 4req h ALA 511 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 4req h ALA 511 Cb 0.39 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 4req h ALA 511 CO 0.04 -0.35 -0.27 -0.07 0.00 0.00 0.00 179.25 178.60 4req h LEU 512 N 0.16 -0.66 -1.26 0.00 3.38 -0.37 -2.76 115.31 113.80 4req h LEU 512 Ca 0.12 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.28 4req h LEU 512 Cb 0.11 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 4req h LEU 512 CO -0.15 -0.44 0.59 0.44 0.09 0.00 0.00 178.44 178.97 4req h ASP 513 N -0.71 0.66 -0.20 -0.43 3.32 -0.18 -0.37 116.42 118.50 4req h ASP 513 Ca -0.06 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.07 4req h ASP 513 Cb 0.57 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 4req h ASP 513 CO 0.08 0.31 0.02 0.50 -1.72 0.00 0.00 179.24 178.42 4req h LYS 514 N 0.68 0.08 -0.10 3.56 3.64 -0.46 0.12 116.57 124.09 4req h LYS 514 Ca 0.48 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.89 4req h LYS 514 Cb 0.81 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 4req h LYS 514 CO -0.23 0.06 -0.16 0.82 -2.27 0.00 0.00 179.45 177.66 4req h ILE 515 N 0.09 0.57 -0.72 2.00 2.04 -0.79 0.15 117.51 120.85 4req h ILE 515 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 4req h ILE 515 Cb 0.10 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 4req h ILE 515 CO -0.14 0.00 0.47 0.74 0.00 0.00 0.00 178.15 179.22 4req h THR 516 N -0.22 1.17 0.32 -0.27 2.02 -0.96 0.61 112.91 115.59 4req h THR 516 Ca 0.09 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 4req h THR 516 Cb 0.34 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 4req h THR 516 CO -0.23 0.17 -0.28 -0.25 0.37 0.00 0.00 175.52 175.31 4req h TRP 517 N 0.96 -0.74 -0.95 3.16 7.01 -0.16 -1.72 115.95 123.50 4req h TRP 517 Ca 0.27 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.33 4req h TRP 517 Cb -0.09 0.28 -0.06 0.00 -2.10 0.00 0.00 29.16 27.18 4req h TRP 517 CO -0.03 -0.41 0.61 0.00 -2.79 0.00 0.00 178.44 175.82 4req h ALA 518 N -0.03 1.31 -0.53 2.65 0.00 -0.49 0.13 119.26 122.30 4req h ALA 518 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.89 4req h ALA 518 Cb 0.55 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 4req h ALA 518 CO -0.03 0.39 0.32 0.00 0.00 0.00 0.00 179.25 179.94 4req h ALA 519 N 1.43 0.67 0.00 0.00 0.00 -0.56 -2.75 119.26 118.06 4req h ALA 519 Ca 0.41 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 4req h ALA 519 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 4req h ALA 519 CO -0.17 0.05 -0.37 0.78 0.00 0.00 0.00 179.25 179.54 4req h GLY 520 N 0.65 0.00 -6.60 0.00 0.00 -0.66 -3.40 103.07 93.06 4req h GLY 520 Ca 0.21 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.93 4req h GLY 520 CO -0.08 0.00 -0.63 0.70 0.00 0.00 0.00 176.54 176.53 4req n ASN 521 N -3.31 2.98 -4.72 0.19 3.02 0.39 -5.09 115.26 108.71 4req n ASN 521 Ca 0.01 -3.24 -0.42 0.00 -0.03 0.00 0.00 54.58 50.91 4req n ASN 521 Cb 0.60 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 4req n ASN 521 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 4req s PRO 522 N -1.80 4.33 -0.29 3.52 0.04 -1.23 -4.74 135.00 134.83 4req s PRO 522 Ca 0.32 2.10 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 4req s PRO 522 Cb 0.06 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.48 4req s PRO 522 CO -0.10 -0.40 0.17 0.34 0.04 0.00 0.00 177.00 177.05 4req s ASP 523 N 0.86 3.07 0.55 6.66 2.15 -1.26 -5.03 116.67 123.67 4req s ASP 523 Ca 0.62 -1.14 0.29 0.00 0.43 0.00 0.00 52.55 52.75 4req s ASP 523 Cb -0.37 -0.15 1.58 0.00 -0.30 0.00 0.00 42.92 43.68 4req s ASP 523 CO 0.33 -0.43 2.13 -2.24 -0.17 0.00 0.00 175.17 174.79 4req h ASP 524 N 8.38 0.00 0.06 -0.34 3.04 -1.94 -2.62 116.42 123.00 4req h ASP 524 Ca -0.18 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 4req h ASP 524 Cb 1.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 4req h ASP 524 CO 0.41 0.08 -0.01 0.29 -2.04 0.00 0.00 179.24 177.98 4req n LYS 525 N -3.66 1.04 -3.97 4.15 4.01 -1.26 -4.69 118.16 113.78 4req n LYS 525 Ca -0.02 -0.15 -0.33 0.00 -0.51 0.00 0.00 58.31 57.30 4req n LYS 525 Cb 0.19 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.07 4req n LYS 525 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 4req s ASP 526 N -2.07 4.81 0.33 4.39 2.15 -0.99 -5.01 116.67 120.28 4req s ASP 526 Ca 0.44 -1.83 0.01 0.00 0.43 0.00 0.00 52.55 51.61 4req s ASP 526 Cb 0.22 -1.66 0.58 0.00 -0.30 0.00 0.00 42.92 41.75 4req s ASP 526 CO 0.38 -0.35 1.97 -0.65 -0.17 0.00 0.00 175.17 176.35 4req h PRO 527 N 7.79 0.92 0.00 4.34 0.11 -1.84 -3.07 132.00 140.25 4req h PRO 527 Ca -0.12 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.94 4req h PRO 527 Cb 1.04 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.94 4req h PRO 527 CO 0.54 0.61 0.00 -0.44 -0.21 0.00 0.00 178.00 178.50 4req h ASP 528 N 0.95 0.00 0.03 -2.05 3.32 -1.96 -2.28 116.42 114.43 4req h ASP 528 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 4req h ASP 528 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 4req h ASP 528 CO -0.08 0.00 -0.55 -1.14 -1.72 0.00 0.00 179.24 175.75 4req n ARG 529 N -2.79 0.90 -1.63 3.56 0.63 -1.16 -4.79 116.66 111.38 4req n ARG 529 Ca -0.01 -0.72 -0.48 0.00 -0.92 0.00 0.00 57.85 55.72 4req n ARG 529 Cb 0.13 -1.49 -0.04 0.00 0.45 0.00 0.00 32.46 31.51 4req n ARG 529 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 4req n ASN 530 N -0.42 2.36 -0.06 6.15 2.85 -0.86 -4.84 115.26 120.45 4req n ASN 530 Ca 0.08 1.11 0.02 0.00 -0.11 0.00 0.00 54.58 55.68 4req n ASN 530 Cb 0.42 -1.33 0.34 0.00 1.24 0.00 0.00 39.78 40.45 4req n ASN 530 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 4req h LEU 531 N 4.85 0.59 -0.15 1.20 3.38 -1.91 -1.20 115.31 122.06 4req h LEU 531 Ca -0.46 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 4req h LEU 531 Cb 1.29 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 4req h LEU 531 CO 0.80 0.49 -0.17 0.25 0.09 0.00 0.00 178.44 179.90 4req h LEU 532 N 0.67 0.42 -0.84 1.67 5.85 -1.90 -2.14 115.31 119.05 4req h LEU 532 Ca 0.17 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.47 4req h LEU 532 Cb 0.04 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 4req h LEU 532 CO -0.03 0.83 0.51 0.50 -0.34 0.00 0.00 178.44 179.91 4req h LYS 533 N 0.02 0.89 0.00 1.25 3.11 -1.83 -1.34 116.57 118.68 4req h LYS 533 Ca 0.02 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 4req h LYS 533 Cb 0.72 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.75 4req h LYS 533 CO 0.04 0.59 -0.10 -0.07 -2.81 0.00 0.00 179.45 177.10 4req h LEU 534 N 0.91 0.00 -0.26 5.20 3.38 -1.18 -2.81 115.31 120.55 4req h LEU 534 Ca 0.37 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.14 4req h LEU 534 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 4req h LEU 534 CO -0.19 0.10 -0.89 0.00 0.09 0.00 0.00 178.44 177.55 4req h ILE 536 N 0.14 1.16 -0.16 0.00 2.04 -1.14 0.29 117.51 119.84 4req h ILE 536 Ca -0.05 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 4req h ILE 536 Cb 1.52 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 4req h ILE 536 CO 0.14 0.17 -0.09 0.44 0.00 0.00 0.00 178.15 178.81 4req h ASP 537 N 0.51 0.36 -0.76 1.72 3.32 -1.45 -1.19 116.42 118.94 4req h ASP 537 Ca 0.14 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 4req h ASP 537 Cb 0.09 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 4req h ASP 537 CO -0.02 0.70 0.25 0.00 -1.72 0.00 0.00 179.24 178.46 4req h ALA 538 N 0.67 0.99 -0.40 3.45 0.00 -0.74 -2.02 119.26 121.21 4req h ALA 538 Ca 0.03 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 4req h ALA 538 Cb 0.57 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 4req h ALA 538 CO 0.03 0.66 -0.10 0.78 0.00 0.00 0.00 179.25 180.61 4req h GLY 539 N 1.12 0.76 1.51 0.00 0.00 -0.39 -0.65 103.07 105.41 4req h GLY 539 Ca 0.25 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 4req h GLY 539 CO -0.01 0.51 -0.38 -0.09 0.00 0.00 0.00 176.54 176.56 4req h ARG 540 N 0.64 0.54 0.00 4.80 2.43 -1.05 -2.90 114.38 118.84 4req h ARG 540 Ca 0.11 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 4req h ARG 540 Cb 0.55 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 4req h ARG 540 CO 0.03 0.84 0.00 0.00 -1.51 0.00 0.00 179.97 179.33 4req n ALA 541 N -2.50 2.62 -1.69 2.80 0.00 -0.77 -4.91 120.51 116.06 4req n ALA 541 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.23 4req n ALA 541 Cb 0.50 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 4req n ALA 541 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 4req n MET 542 N -1.00 -0.08 -1.91 0.00 2.81 -1.03 -4.53 117.12 111.38 4req n MET 542 Ca 0.23 0.21 -0.32 0.00 -1.81 0.00 0.00 57.70 56.01 4req n MET 542 Cb 0.10 -3.77 0.02 0.00 -0.71 0.00 0.00 33.22 28.87 4req n MET 542 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 4req s ALA 543 N -2.05 2.75 0.57 3.04 0.00 -0.28 -4.93 121.76 120.86 4req s ALA 543 Ca 0.00 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.27 4req s ALA 543 Cb 0.00 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 19.98 4req s ALA 543 CO 0.00 -0.90 0.79 0.95 0.00 0.00 0.00 175.76 176.60 4req s THR 544 N -2.67 2.49 0.08 0.00 -4.23 -1.26 -4.58 115.64 105.46 4req s THR 544 Ca 0.61 -0.79 -0.19 0.00 -1.18 0.00 0.00 61.69 60.14 4req s THR 544 Cb -0.15 -2.70 -0.09 0.00 1.34 0.00 0.00 72.50 70.90 4req s THR 544 CO 0.43 0.00 1.51 0.58 -0.54 0.00 0.00 174.62 176.60 4req h VAL 545 N 0.06 1.26 0.05 2.29 2.07 -1.16 -0.69 116.25 120.13 4req h VAL 545 Ca -0.38 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 4req h VAL 545 Cb 1.28 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 4req h VAL 545 CO 0.45 0.28 -0.03 1.23 0.02 0.00 0.00 177.57 179.52 4req h GLY 546 N 0.16 -0.07 0.32 2.17 0.00 -1.82 -1.87 103.07 101.95 4req h GLY 546 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.42 4req h GLY 546 CO 0.01 -0.03 -0.50 0.83 0.00 0.00 0.00 176.54 176.86 4req h GLU 547 N -0.19 -0.82 -0.94 4.80 5.08 -1.85 0.10 114.58 120.77 4req h GLU 547 Ca -0.01 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 4req h GLU 547 Cb 0.16 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 4req h GLU 547 CO 0.01 -0.54 0.56 0.52 -1.00 0.00 0.00 179.01 178.56 4req h MET 548 N -0.85 0.85 -0.17 2.33 2.86 -1.16 0.26 114.93 119.06 4req h MET 548 Ca -0.03 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 4req h MET 548 Cb 0.80 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 4req h MET 548 CO -0.18 0.57 -0.45 0.77 1.06 0.00 0.00 176.91 178.67 4req h SER 549 N 0.88 0.47 -0.26 1.22 0.02 -1.02 -2.88 113.55 111.98 4req h SER 549 Ca 0.47 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 4req h SER 549 Cb 0.51 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 4req h SER 549 CO -0.28 0.86 -0.09 0.44 -1.14 0.00 0.00 176.83 176.61 4req h ASP 550 N 0.35 0.53 -0.09 3.07 3.32 -0.05 -1.81 116.42 121.75 4req h ASP 550 Ca 0.02 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.71 4req h ASP 550 Cb 0.94 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 4req h ASP 550 CO 0.08 0.80 0.06 0.00 -1.72 0.00 0.00 179.24 178.46 4req h ALA 551 N 0.75 2.07 0.02 3.45 0.00 -0.77 -1.56 119.26 123.22 4req h ALA 551 Ca 0.06 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 4req h ALA 551 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 4req h ALA 551 CO 0.03 -0.09 -1.46 -0.07 0.00 0.00 0.00 179.25 177.65 4req h LEU 552 N 0.01 0.06 -1.60 0.00 3.38 -1.50 -3.31 115.31 112.35 4req h LEU 552 Ca 0.04 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 4req h LEU 552 Cb 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 4req h LEU 552 CO -0.00 1.08 -0.22 -0.08 0.09 0.00 0.00 178.44 179.31 4req h GLU 553 N 0.01 0.00 -0.31 1.13 4.81 -0.39 0.16 114.58 120.00 4req h GLU 553 Ca -0.19 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.09 4req h GLU 553 Cb 1.93 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.27 4req h GLU 553 CO 0.11 0.22 0.03 0.87 -0.73 0.00 0.00 179.01 179.50 4req h LYS 554 N 0.00 0.13 0.09 1.92 1.79 -1.60 0.38 116.57 119.27 4req h LYS 554 Ca -0.00 -0.01 -0.24 0.00 -2.18 0.00 0.00 60.65 58.22 4req h LYS 554 Cb 0.45 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 4req h LYS 554 CO 0.03 0.08 -1.26 0.28 -1.08 0.00 0.00 179.45 177.50 4req h VAL 555 N 0.13 1.09 0.00 0.50 2.07 -1.76 -3.41 116.25 114.87 4req h VAL 555 Ca 0.15 -2.37 -0.19 0.00 0.82 0.00 0.00 66.70 65.10 4req h VAL 555 Cb 0.18 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 4req h VAL 555 CO -0.22 0.65 -0.96 -0.26 0.02 0.00 0.00 177.57 176.80 4req h PHE 556 N -0.45 0.00 -0.16 1.57 0.04 -0.59 -3.50 116.94 113.84 4req h PHE 556 Ca -0.28 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.51 4req h PHE 556 Cb 1.64 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.78 4req h PHE 556 CO 0.14 0.86 -0.04 0.41 -0.60 0.00 0.00 178.31 179.08 4req n GLY 557 N 1.34 -1.73 3.58 -1.45 0.00 0.13 -4.58 105.19 102.48 4req n GLY 557 Ca -0.01 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 4req n GLY 557 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4req s ARG 558 N -1.70 2.49 0.04 1.61 0.52 -1.26 -4.35 118.95 116.30 4req s ARG 558 Ca 0.00 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.39 4req s ARG 558 Cb 0.00 -2.46 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 4req s ARG 558 CO 0.00 0.59 0.29 -0.47 0.02 0.00 0.00 175.30 175.73 4req s TYR 559 N -1.00 3.56 -0.07 -0.53 5.04 -0.07 -4.76 117.35 119.52 4req s TYR 559 Ca 0.17 0.56 0.04 0.00 -2.44 0.00 0.00 57.07 55.40 4req s TYR 559 Cb -0.11 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.22 4req s TYR 559 CO 0.08 0.57 -0.18 0.99 -1.34 0.00 0.00 175.55 175.67 4req s THR 560 N -1.38 1.60 0.42 4.34 2.01 -1.26 -4.96 115.64 116.40 4req s THR 560 Ca 0.31 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 4req s THR 560 Cb -0.13 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 4req s THR 560 CO 0.19 0.46 0.69 0.00 -0.69 0.00 0.00 174.62 175.26 4req s ALA 561 N 0.35 3.51 -0.12 7.40 0.00 -1.26 -5.07 121.76 126.56 4req s ALA 561 Ca -0.13 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.06 4req s ALA 561 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 4req s ALA 561 CO 0.05 -0.17 0.41 -1.14 0.00 0.00 0.00 175.76 174.91 4req s GLN 562 N -4.43 4.27 -0.04 0.00 0.74 -1.26 -5.02 119.66 113.93 4req s GLN 562 Ca 0.45 0.33 -0.22 0.00 0.05 0.00 0.00 55.36 55.96 4req s GLN 562 Cb -0.10 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 4req s GLN 562 CO 0.40 0.23 0.66 0.42 -0.55 0.00 0.00 175.29 176.45 4req s ILE 563 N 0.42 4.98 -0.06 -2.34 -1.09 -1.26 -5.06 121.20 116.79 4req s ILE 563 Ca 0.23 1.37 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 4req s ILE 563 Cb -0.14 -4.00 0.02 0.00 -1.58 0.00 0.00 42.46 36.76 4req s ILE 563 CO 0.08 0.32 -0.05 -0.13 -1.23 0.00 0.00 174.94 173.94 4req s ARG 564 N 0.38 0.99 -0.11 2.79 0.52 -1.26 -5.14 118.95 117.12 4req s ARG 564 Ca 0.35 -0.11 0.04 0.00 -0.52 0.00 0.00 55.73 55.48 4req s ARG 564 Cb -0.18 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.23 4req s ARG 564 CO 0.18 -0.15 -0.23 0.99 0.02 0.00 0.00 175.30 176.10 4req s THR 565 N 1.27 2.08 0.80 0.02 2.01 -1.26 -4.97 115.64 115.60 4req s THR 565 Ca -0.05 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 4req s THR 565 Cb -0.14 -1.80 0.07 0.00 0.01 0.00 0.00 72.50 70.65 4req s THR 565 CO -0.02 0.56 1.09 0.27 -0.69 0.00 0.00 174.62 175.82 4req s ILE 566 N 0.42 3.18 -0.00 1.82 -4.36 -1.26 -5.08 121.20 115.93 4req s ILE 566 Ca -0.17 0.38 -0.07 0.00 -0.26 0.00 0.00 60.65 60.54 4req s ILE 566 Cb -0.18 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.56 4req s ILE 566 CO 0.07 -0.50 0.13 -0.94 0.24 0.00 0.00 174.94 173.94 4req s SER 567 N -3.60 0.03 0.00 4.36 1.04 -1.26 -4.64 113.70 109.62 4req s SER 567 Ca 0.61 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.86 4req s SER 567 Cb -0.16 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.17 4req s SER 567 CO 0.56 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.05 4req n GLY 568 N 1.60 0.64 0.09 7.32 0.00 -1.26 -4.93 105.19 108.65 4req n GLY 568 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 4req n GLY 568 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 4req h VAL 569 N 0.00 1.42 0.11 1.61 2.07 -1.93 -3.32 116.25 116.21 4req h VAL 569 Ca 0.00 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 4req h VAL 569 Cb 0.08 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 4req h VAL 569 CO 0.00 0.56 -0.05 0.22 0.02 0.00 0.00 177.57 178.31 4req h TYR 570 N -0.82 -0.14 -0.46 1.57 5.03 -1.89 -2.58 116.97 117.68 4req h TYR 570 Ca -0.15 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.18 4req h TYR 570 Cb 1.27 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.56 4req h TYR 570 CO 0.20 -0.02 0.26 0.66 -1.32 0.00 0.00 178.16 177.93 4req h SER 571 N -0.22 0.40 -0.19 -2.11 4.64 -1.91 -3.15 113.55 111.01 4req h SER 571 Ca -0.02 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 4req h SER 571 Cb 0.18 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 4req h SER 571 CO 0.02 0.28 -0.01 0.50 -0.87 0.00 0.00 176.83 176.76 4req h LYS 572 N 0.51 0.05 -0.09 4.77 3.64 -1.65 -3.29 116.57 120.51 4req h LYS 572 Ca 0.19 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 4req h LYS 572 Cb 0.06 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 4req h LYS 572 CO -0.11 0.03 -0.10 1.49 -2.27 0.00 0.00 179.45 178.49 4req h GLU 573 N 0.05 -0.06 -3.34 1.90 4.57 -1.41 -3.22 114.58 113.07 4req h GLU 573 Ca 0.09 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.62 4req h GLU 573 Cb 0.12 0.01 -0.39 0.00 -0.16 0.00 0.00 28.75 28.33 4req h GLU 573 CO -0.16 -0.04 -0.48 0.08 -1.18 0.00 0.00 179.01 177.24 4req s VAL 574 N -3.47 3.18 0.60 0.32 1.01 -1.25 -5.00 120.40 115.79 4req s VAL 574 Ca -0.02 -3.56 -0.17 0.00 0.00 0.00 0.00 61.98 58.22 4req s VAL 574 Cb 0.02 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 4req s VAL 574 CO 0.11 -0.91 1.10 -1.59 0.00 0.00 0.00 175.10 173.81 4req s LYS 575 N -0.69 3.14 -0.40 2.72 0.00 -1.22 -4.17 119.74 119.12 4req s LYS 575 Ca 0.20 1.41 0.00 0.00 0.00 0.00 0.00 55.97 57.58 4req s LYS 575 Cb -0.17 -1.99 0.00 0.00 0.00 0.00 0.00 37.83 35.67 4req s LYS 575 CO -0.07 -0.98 0.00 0.09 0.00 0.00 0.00 175.35 174.39 4req n ASN 576 N -1.92 -4.09 -4.76 0.03 3.02 -1.26 -5.03 115.26 101.25 4req n ASN 576 Ca 0.10 0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.36 4req n ASN 576 Cb 0.52 -1.93 0.03 0.00 -0.61 0.00 0.00 39.78 37.79 4req n ASN 576 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 4req s THR 577 N -1.93 2.23 0.39 3.41 2.01 -1.26 -4.86 115.64 115.63 4req s THR 577 Ca 0.00 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.25 4req s THR 577 Cb 0.00 -3.09 0.22 0.00 0.01 0.00 0.00 72.50 69.64 4req s THR 577 CO 0.00 0.00 1.99 -0.65 -0.69 0.00 0.00 174.62 175.27 4req h PRO 578 N 1.74 0.47 0.15 4.92 0.11 -1.98 -0.76 132.00 136.65 4req h PRO 578 Ca -0.51 -0.06 -0.30 0.00 0.11 0.00 0.00 66.00 65.25 4req h PRO 578 Cb 1.29 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.33 4req h PRO 578 CO 0.58 0.40 -1.29 0.93 -0.21 0.00 0.00 178.00 178.42 4req h GLU 579 N 0.47 0.49 -0.43 1.05 3.07 -1.97 -2.25 114.58 115.02 4req h GLU 579 Ca 0.12 -0.73 -0.03 0.00 -0.50 0.00 0.00 59.36 58.21 4req h GLU 579 Cb 0.12 0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 4req h GLU 579 CO -0.01 1.33 0.16 0.28 -1.40 0.00 0.00 179.01 179.37 4req h VAL 580 N 0.18 1.21 -0.17 3.13 2.07 -1.80 0.19 116.25 121.07 4req h VAL 580 Ca -0.19 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 4req h VAL 580 Cb 1.98 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 4req h VAL 580 CO 0.23 0.24 -0.04 -0.33 0.02 0.00 0.00 177.57 177.69 4req h GLU 581 N 0.55 0.32 -0.14 1.57 3.07 -1.21 -0.33 114.58 118.42 4req h GLU 581 Ca 0.14 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 4req h GLU 581 Cb 0.22 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 4req h GLU 581 CO -0.01 0.60 0.08 1.49 -1.40 0.00 0.00 179.01 179.77 4req h GLU 582 N 0.03 0.17 -0.05 2.33 4.81 -1.28 -0.57 114.58 120.02 4req h GLU 582 Ca 0.04 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 4req h GLU 582 Cb 0.48 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 4req h GLU 582 CO 0.02 0.11 -0.13 0.00 -0.73 0.00 0.00 179.01 178.28 4req h ALA 583 N 1.06 -0.10 0.09 2.92 0.00 -0.57 -1.55 119.26 121.11 4req h ALA 583 Ca 0.05 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 4req h ALA 583 Cb -0.01 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 4req h ALA 583 CO -0.02 -0.60 -0.29 0.00 0.00 0.00 0.00 179.25 178.33 4req h ARG 584 N -0.19 -0.48 -0.30 0.00 3.08 -0.75 -2.29 114.38 113.45 4req h ARG 584 Ca 0.06 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.22 4req h ARG 584 Cb 0.28 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 4req h ARG 584 CO -0.16 -0.32 -0.25 0.93 -1.07 0.00 0.00 179.97 179.10 4req h GLU 585 N -0.50 -0.22 -0.83 0.04 5.08 -0.77 -1.52 114.58 115.86 4req h GLU 585 Ca 0.04 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.55 4req h GLU 585 Cb 0.54 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 4req h GLU 585 CO -0.19 -0.15 0.43 -0.07 -1.00 0.00 0.00 179.01 178.04 4req h LEU 586 N -0.23 0.54 -0.56 1.33 3.38 -1.07 -2.05 115.31 116.65 4req h LEU 586 Ca 0.16 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 4req h LEU 586 Cb 0.47 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 4req h LEU 586 CO -0.44 0.25 0.05 0.58 0.09 0.00 0.00 178.44 178.97 4req h VAL 587 N 0.65 1.26 -0.07 1.22 2.07 -0.79 -1.70 116.25 118.89 4req h VAL 587 Ca 0.44 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 4req h VAL 587 Cb 0.58 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 4req h VAL 587 CO -0.34 0.38 0.04 -0.08 0.02 0.00 0.00 177.57 177.59 4req h GLU 588 N 0.85 0.11 -0.92 1.57 4.22 -0.76 -2.14 114.58 117.50 4req h GLU 588 Ca 0.16 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.60 4req h GLU 588 Cb 0.48 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 4req h GLU 588 CO 0.02 0.16 0.60 1.49 -2.18 0.00 0.00 179.01 179.10 4req h GLU 589 N 0.02 1.22 0.16 1.92 4.57 -1.37 -2.06 114.58 119.05 4req h GLU 589 Ca 0.03 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 4req h GLU 589 Cb 0.09 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 4req h GLU 589 CO -0.00 0.81 -0.07 0.35 -1.18 0.00 0.00 179.01 178.92 4req h PHE 590 N 1.25 -0.19 0.02 0.92 3.04 -1.12 0.24 116.94 121.10 4req h PHE 590 Ca 0.34 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.31 4req h PHE 590 Cb -0.13 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.40 4req h PHE 590 CO 0.00 -0.09 -0.24 1.49 -2.02 0.00 0.00 178.31 177.45 4req h GLU 591 N -0.25 -0.38 -0.43 1.11 4.81 -0.82 0.44 114.58 119.06 4req h GLU 591 Ca -0.02 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 4req h GLU 591 Cb 0.19 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 4req h GLU 591 CO 0.04 -0.25 -0.11 1.96 -0.73 0.00 0.00 179.01 179.92 4req h GLN 592 N -0.39 0.00 -0.16 1.92 1.08 -1.06 0.51 115.11 117.02 4req h GLN 592 Ca 0.06 -0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.07 4req h GLN 592 Cb 0.46 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 4req h GLN 592 CO -0.20 0.00 -0.65 0.00 -0.95 0.00 0.00 178.83 177.03 4req h ALA 593 N 1.43 0.56 0.00 3.87 0.00 -0.25 -3.37 119.26 121.50 4req h ALA 593 Ca 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.56 4req h ALA 593 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 4req h ALA 593 CO -0.45 0.71 -0.69 0.39 0.00 0.00 0.00 179.25 179.21 4req n GLU 594 N -3.92 2.58 -0.53 0.00 -0.58 0.15 -4.98 120.64 113.36 4req n GLU 594 Ca -0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 4req n GLU 594 Cb 0.67 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 4req n GLU 594 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 4req n GLY 595 N 1.34 0.72 3.50 0.62 0.00 0.17 -5.03 105.19 106.52 4req n GLY 595 Ca 0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 4req n GLY 595 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 4req s ARG 596 N -0.60 1.00 0.67 1.61 1.70 -1.23 -5.02 118.95 117.08 4req s ARG 596 Ca 0.00 -0.39 -0.13 0.00 -0.47 0.00 0.00 55.73 54.74 4req s ARG 596 Cb 0.00 0.45 -0.00 0.00 -0.57 0.00 0.00 34.95 34.83 4req s ARG 596 CO 0.00 -0.44 1.07 1.03 -1.08 0.00 0.00 175.30 175.87 4req s ARG 597 N -3.34 2.98 0.26 3.89 0.52 -1.26 -3.60 118.95 118.39 4req s ARG 597 Ca 0.04 1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 56.06 4req s ARG 597 Cb -0.01 -1.99 -0.11 0.00 0.52 0.00 0.00 34.95 33.36 4req s ARG 597 CO -0.09 -1.08 1.55 -1.25 0.02 0.00 0.00 175.30 174.45 4req s PRO 598 N -4.60 4.18 -0.07 3.54 0.04 -1.26 -4.74 135.00 132.10 4req s PRO 598 Ca 0.61 2.46 0.03 0.00 0.04 0.00 0.00 61.00 64.15 4req s PRO 598 Cb -0.16 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 4req s PRO 598 CO 0.47 -0.57 -0.16 0.50 0.04 0.00 0.00 177.00 177.29 4req s ARG 599 N -0.13 2.67 -0.01 4.56 3.52 -1.26 -0.75 118.95 127.55 4req s ARG 599 Ca 0.64 -0.73 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 4req s ARG 599 Cb -0.45 -2.38 -0.00 0.00 -1.56 0.00 0.00 34.95 30.55 4req s ARG 599 CO 0.43 0.50 -0.07 -1.50 -0.81 0.00 0.00 175.30 173.85 4req s ILE 600 N -0.42 0.56 -0.21 4.11 2.07 0.02 -1.74 121.20 125.59 4req s ILE 600 Ca 0.05 -0.29 -0.08 0.00 -1.41 0.00 0.00 60.65 58.93 4req s ILE 600 Cb -0.12 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 41.95 4req s ILE 600 CO 0.02 0.16 0.07 -0.22 -1.91 0.00 0.00 174.94 173.06 4req s LEU 601 N -0.06 3.71 -0.45 8.50 2.96 -0.62 -0.27 118.68 132.44 4req s LEU 601 Ca 0.01 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.75 4req s LEU 601 Cb -0.04 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.74 4req s LEU 601 CO -0.00 0.10 0.43 -0.76 -1.32 0.00 0.00 176.35 174.79 4req s LEU 602 N 0.82 5.24 -0.03 -0.68 1.43 0.22 0.35 118.68 126.04 4req s LEU 602 Ca 0.04 -1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.09 4req s LEU 602 Cb -0.14 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 4req s LEU 602 CO 0.02 -0.64 0.09 0.00 0.23 0.00 0.00 176.35 176.06 4req s ALA 603 N 1.93 3.64 -0.27 4.21 0.00 -0.57 -1.25 121.76 129.45 4req s ALA 603 Ca 0.08 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.25 4req s ALA 603 Cb -0.21 -1.66 0.07 0.00 0.00 0.00 0.00 23.12 21.32 4req s ALA 603 CO 0.10 0.68 -0.08 0.15 0.00 0.00 0.00 175.76 176.61 4req s LYS 604 N -1.60 2.10 0.18 0.00 -0.14 -1.26 -1.81 119.74 117.21 4req s LYS 604 Ca 0.22 -1.45 0.10 0.00 -1.36 0.00 0.00 55.97 53.48 4req s LYS 604 Cb -0.12 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 4req s LYS 604 CO 0.12 -0.64 -0.15 -1.64 -0.76 0.00 0.00 175.35 172.29 4req s MET 605 N 1.06 1.86 2.10 1.68 -1.94 -1.26 -2.40 119.30 120.41 4req s MET 605 Ca -0.05 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 52.57 4req s MET 605 Cb -0.20 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.59 4req s MET 605 CO -0.06 0.42 0.00 0.41 -0.01 0.00 0.00 175.02 175.79 4req n GLY 606 N 0.14 -1.26 0.38 -0.03 0.00 -0.93 -4.05 105.19 99.44 4req n GLY 606 Ca -0.11 -1.31 0.13 0.00 0.00 0.00 0.00 46.02 44.73 4req n GLY 606 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 4req n GLN 607 N 0.00 1.25 -1.58 1.61 1.13 -1.26 -3.87 117.38 114.66 4req n GLN 607 Ca 0.00 -0.76 -0.54 0.00 -1.94 0.00 0.00 57.00 53.76 4req n GLN 607 Cb 0.00 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 28.80 4req n GLN 607 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 4req n ASP 608 N -0.21 2.34 -0.66 1.08 -0.08 -1.26 -4.87 116.55 112.90 4req n ASP 608 Ca 0.15 0.77 0.13 0.00 -1.51 0.00 0.00 54.79 54.33 4req n ASP 608 Cb 0.36 -1.21 0.31 0.00 2.34 0.00 0.00 41.12 42.93 4req n ASP 608 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 4req n GLY 609 N 5.36 0.37 3.70 0.27 0.00 -1.26 -4.65 105.19 108.97 4req n GLY 609 Ca 0.34 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 4req n GLY 609 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4req s HIS 610 N -2.06 2.84 0.00 1.61 3.76 -1.26 -4.71 115.29 115.47 4req s HIS 610 Ca 0.32 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 4req s HIS 610 Cb 0.20 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 30.11 4req s HIS 610 CO 0.35 -2.96 0.44 -0.40 -0.85 0.00 0.00 174.74 171.32 4req n ASP 611 N 4.95 0.57 0.02 1.40 5.68 -1.26 -4.78 116.55 123.13 4req n ASP 611 Ca 0.14 -1.19 -0.11 0.00 -0.50 0.00 0.00 54.79 53.13 4req n ASP 611 Cb 0.42 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.34 4req n ASP 611 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 4req h ARG 612 N 0.00 -0.02 -0.30 0.11 2.43 -1.93 -0.52 114.38 114.15 4req h ARG 612 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 4req h ARG 612 Cb 0.56 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 4req h ARG 612 CO 0.00 -0.01 -0.00 0.78 -1.51 0.00 0.00 179.97 179.22 4req h GLY 613 N -0.02 0.58 1.00 2.80 0.00 -1.98 -1.79 103.07 103.65 4req h GLY 613 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.93 4req h GLY 613 CO -0.07 0.40 0.34 -1.61 0.00 0.00 0.00 176.54 175.59 4req h GLN 614 N 0.33 0.69 -0.20 4.80 4.15 -1.82 -1.57 115.11 121.48 4req h GLN 614 Ca 0.09 -0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.28 4req h GLN 614 Cb 0.44 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 4req h GLN 614 CO 0.02 0.47 -0.60 0.87 -1.93 0.00 0.00 178.83 177.66 4req h LYS 615 N 0.70 0.67 -0.17 1.69 1.79 -1.08 -1.59 116.57 118.57 4req h LYS 615 Ca 0.19 -0.45 -0.20 0.00 -2.18 0.00 0.00 60.65 58.01 4req h LYS 615 Cb -0.06 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 4req h LYS 615 CO -0.04 1.07 -0.68 -0.24 -1.08 0.00 0.00 179.45 178.48 4req h VAL 616 N 0.50 1.31 -0.46 0.50 3.04 -1.28 -2.28 116.25 117.57 4req h VAL 616 Ca -0.00 -1.93 -0.04 0.00 -1.01 0.00 0.00 66.70 63.72 4req h VAL 616 Cb 1.18 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 32.33 4req h VAL 616 CO 0.12 0.60 0.13 0.40 -1.01 0.00 0.00 177.57 177.81 4req h ILE 617 N 0.49 1.23 0.38 3.17 1.08 -1.31 -1.93 117.51 120.62 4req h ILE 617 Ca -0.02 -0.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.66 4req h ILE 617 Cb 1.28 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 4req h ILE 617 CO 0.13 0.28 -0.36 0.00 -0.69 0.00 0.00 178.15 177.52 4req h ALA 618 N 0.99 -0.79 -0.28 1.87 0.00 -1.10 0.11 119.26 120.05 4req h ALA 618 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 4req h ALA 618 Cb 0.30 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 4req h ALA 618 CO -0.00 -0.98 0.15 0.00 0.00 0.00 0.00 179.25 178.42 4req h THR 619 N -0.76 1.14 -0.34 0.00 1.03 -1.47 0.99 112.91 113.50 4req h THR 619 Ca -0.03 -0.38 -0.04 0.00 -0.01 0.00 0.00 66.41 65.95 4req h THR 619 Cb 0.67 0.87 -0.01 0.00 -1.07 0.00 0.00 68.15 68.61 4req h THR 619 CO -0.05 0.14 0.05 0.00 -0.01 0.00 0.00 175.52 175.65 4req h ALA 620 N 1.01 0.45 -0.55 0.00 0.00 -1.34 -1.38 119.26 117.46 4req h ALA 620 Ca 0.10 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 4req h ALA 620 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 4req h ALA 620 CO -0.01 0.16 -0.10 1.88 0.00 0.00 0.00 179.25 181.18 4req h TYR 621 N 0.39 1.14 -0.48 0.00 -1.99 -0.65 -2.11 116.97 113.28 4req h TYR 621 Ca 0.10 -0.23 -0.01 0.00 2.00 0.00 0.00 58.73 60.59 4req h TYR 621 Cb 0.37 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 4req h TYR 621 CO 0.03 1.05 0.28 0.00 -0.00 0.00 0.00 178.16 179.52 4req h ALA 622 N 0.96 0.61 0.00 3.88 0.00 -0.62 -1.68 119.26 122.40 4req h ALA 622 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 4req h ALA 622 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.26 4req h ALA 622 CO 0.05 0.11 0.00 -0.44 0.00 0.00 0.00 179.25 178.97 4req h ASP 623 N 0.63 0.00 0.13 0.00 3.32 -1.00 -2.72 116.42 116.78 4req h ASP 623 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 4req h ASP 623 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 4req h ASP 623 CO -0.03 0.00 -0.57 0.18 -1.72 0.00 0.00 179.24 177.10 4req n LEU 624 N -2.63 1.28 0.00 1.55 4.77 -0.82 -4.93 117.00 116.22 4req n LEU 624 Ca -0.00 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 4req n LEU 624 Cb 0.17 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 4req n LEU 624 CO 0.19 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 4req n GLY 625 N 1.44 0.73 3.81 -0.72 0.00 -1.03 -4.46 105.19 104.96 4req n GLY 625 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 4req n GLY 625 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4req s PHE 626 N -2.00 3.08 -0.30 1.61 0.40 -0.67 -4.63 117.98 115.47 4req s PHE 626 Ca 0.00 1.47 -0.17 0.00 -0.60 0.00 0.00 56.93 57.64 4req s PHE 626 Cb 0.00 -2.94 -0.02 0.00 0.51 0.00 0.00 43.02 40.57 4req s PHE 626 CO 0.00 -1.09 0.45 -0.51 0.70 0.00 0.00 175.22 174.76 4req s ASP 627 N -3.19 6.31 -0.14 1.36 1.01 0.07 -4.27 116.67 117.82 4req s ASP 627 Ca 0.61 0.19 -0.01 0.00 0.71 0.00 0.00 52.55 54.05 4req s ASP 627 Cb -0.15 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 4req s ASP 627 CO 0.43 -0.31 -0.10 -0.69 0.21 0.00 0.00 175.17 174.71 4req s VAL 628 N 2.22 3.34 -0.16 -1.27 1.01 -1.26 -0.80 120.40 123.48 4req s VAL 628 Ca 0.17 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 4req s VAL 628 Cb -0.16 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 4req s VAL 628 CO 0.11 0.52 -0.02 -1.81 0.00 0.00 0.00 175.10 173.89 4req s ASP 629 N 0.33 4.91 -0.38 3.32 1.01 0.62 -4.98 116.67 121.51 4req s ASP 629 Ca -0.08 -0.10 -0.13 0.00 0.71 0.00 0.00 52.55 52.94 4req s ASP 629 Cb -0.15 -1.81 0.01 0.00 1.01 0.00 0.00 42.92 41.98 4req s ASP 629 CO 0.05 0.17 0.26 -0.69 0.21 0.00 0.00 175.17 175.16 4req s VAL 630 N 0.39 5.09 0.63 -1.27 1.01 -1.26 -0.61 120.40 124.39 4req s VAL 630 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 4req s VAL 630 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 4req s VAL 630 CO 0.03 -0.20 1.04 -0.83 0.00 0.00 0.00 175.10 175.14 4req s GLY 631 N 1.66 1.73 0.60 4.51 0.00 -0.38 -4.96 107.32 110.48 4req s GLY 631 Ca 0.05 0.02 -0.16 0.00 0.00 0.00 0.00 44.72 44.63 4req s GLY 631 CO 0.09 0.31 1.08 2.56 0.00 0.00 0.00 173.10 177.14 4req s PRO 632 N -4.96 3.22 1.08 2.90 0.04 -1.26 -4.71 135.00 131.30 4req s PRO 632 Ca 0.57 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 4req s PRO 632 Cb -0.12 -2.01 0.23 0.00 0.04 0.00 0.00 34.50 32.64 4req s PRO 632 CO 0.51 -0.91 1.09 -0.51 0.04 0.00 0.00 177.00 177.22 4req s LEU 633 N -4.42 1.20 -1.36 -3.56 1.43 -1.26 -4.11 118.68 106.60 4req s LEU 633 Ca 0.66 1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 54.75 4req s LEU 633 Cb -0.18 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.02 4req s LEU 633 CO 0.35 -3.55 0.28 0.49 0.23 0.00 0.00 176.35 174.15 4req n PHE 634 N -4.43 -1.58 -2.66 0.29 3.72 -1.25 -4.99 117.46 106.55 4req n PHE 634 Ca 0.07 0.25 -0.41 0.00 -0.05 0.00 0.00 57.45 57.31 4req n PHE 634 Cb 0.58 -3.43 -0.04 0.00 -0.94 0.00 0.00 39.48 35.64 4req n PHE 634 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 4req s GLN 635 N -5.45 4.69 0.79 -1.08 -0.21 -1.01 -4.63 119.66 112.75 4req s GLN 635 Ca 0.18 1.54 -0.12 0.00 0.02 0.00 0.00 55.36 56.98 4req s GLN 635 Cb -0.09 -3.33 0.06 0.00 1.00 0.00 0.00 33.01 30.66 4req s GLN 635 CO 0.22 0.21 1.12 0.95 -2.12 0.00 0.00 175.29 175.67 4req s THR 636 N -0.24 2.86 0.56 -0.19 -4.23 -1.26 -2.20 115.64 110.94 4req s THR 636 Ca 0.47 0.28 0.25 0.00 -1.18 0.00 0.00 61.69 61.51 4req s THR 636 Cb -0.26 -3.15 0.34 0.00 1.34 0.00 0.00 72.50 70.78 4req s THR 636 CO 0.32 -0.37 2.13 -0.65 -0.54 0.00 0.00 174.62 175.51 4req h PRO 637 N -1.01 0.00 -0.03 3.99 0.11 -1.92 -2.16 132.00 130.98 4req h PRO 637 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 4req h PRO 637 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 4req h PRO 637 CO 0.62 0.00 -0.22 1.49 -0.21 0.00 0.00 178.00 179.68 4req h GLU 638 N 0.00 0.21 -0.65 1.05 4.81 -1.92 -2.18 114.58 115.90 4req h GLU 638 Ca 0.07 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 4req h GLU 638 Cb 0.35 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 4req h GLU 638 CO -0.00 0.85 0.16 0.93 -0.73 0.00 0.00 179.01 180.22 4req h GLU 639 N -0.37 1.03 -0.32 1.92 5.08 -1.80 -1.59 114.58 118.53 4req h GLU 639 Ca -0.02 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 4req h GLU 639 Cb 0.90 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 4req h GLU 639 CO 0.05 0.91 -0.05 1.15 -1.00 0.00 0.00 179.01 180.07 4req h THR 640 N 0.98 1.27 0.03 1.13 2.02 -1.47 0.55 112.91 117.43 4req h THR 640 Ca 0.21 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 4req h THR 640 Cb 0.35 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 4req h THR 640 CO 0.00 0.35 -0.02 0.00 0.37 0.00 0.00 175.52 176.22 4req h ALA 641 N 0.81 -0.04 -0.44 6.16 0.00 -1.30 0.21 119.26 124.65 4req h ALA 641 Ca 0.08 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 4req h ALA 641 Cb 0.53 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 4req h ALA 641 CO 0.03 -0.48 0.22 -0.09 0.00 0.00 0.00 179.25 178.93 4req h ARG 642 N -0.13 0.43 -0.42 0.00 2.43 -1.25 0.12 114.38 115.56 4req h ARG 642 Ca -0.00 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 4req h ARG 642 Cb 0.12 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 4req h ARG 642 CO 0.01 0.29 -0.25 0.37 -1.51 0.00 0.00 179.97 178.88 4req h GLN 643 N 0.45 0.91 0.69 0.20 4.15 -0.77 -1.37 115.11 119.36 4req h GLN 643 Ca 0.19 -0.42 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 4req h GLN 643 Cb 0.09 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 4req h GLN 643 CO -0.13 1.07 -0.43 0.00 -1.93 0.00 0.00 178.83 177.41 4req h ALA 644 N 0.82 -1.10 -0.24 3.38 0.00 -0.11 -2.50 119.26 119.51 4req h ALA 644 Ca 0.09 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.84 4req h ALA 644 Cb 0.82 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 4req h ALA 644 CO 0.07 -1.14 -0.12 0.28 0.00 0.00 0.00 179.25 178.35 4req h VAL 645 N -1.06 0.63 -0.52 0.00 2.07 -0.78 -1.31 116.25 115.27 4req h VAL 645 Ca -0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.49 4req h VAL 645 Cb 0.86 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 4req h VAL 645 CO 0.08 0.00 0.35 -0.33 0.02 0.00 0.00 177.57 177.69 4req h GLU 646 N -0.09 0.46 -0.01 1.57 5.08 -1.19 -2.13 114.58 118.28 4req h GLU 646 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 4req h GLU 646 Cb 0.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 4req h GLU 646 CO -0.30 0.31 -0.22 0.00 -1.00 0.00 0.00 179.01 177.79 4req n ALA 647 N -2.50 3.01 -3.61 3.43 0.00 -0.88 -4.98 120.51 114.98 4req n ALA 647 Ca 0.07 -0.40 -0.24 0.00 0.00 0.00 0.00 53.44 52.86 4req n ALA 647 Cb 0.24 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.59 4req n ALA 647 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 4req n ASP 648 N -0.57 -4.00 -4.90 0.00 2.03 -0.55 -4.97 116.55 103.59 4req n ASP 648 Ca 0.13 -0.88 -0.28 0.00 0.52 0.00 0.00 54.79 54.28 4req n ASP 648 Cb 0.35 -3.99 0.03 0.00 -0.72 0.00 0.00 41.12 36.79 4req n ASP 648 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 4req s VAL 649 N -3.54 3.72 -0.14 5.18 -7.23 -1.19 -4.92 120.40 112.28 4req s VAL 649 Ca 0.29 0.20 0.19 0.00 -1.81 0.00 0.00 61.98 60.85 4req s VAL 649 Cb -0.08 -3.50 -0.15 0.00 0.56 0.00 0.00 36.38 33.21 4req s VAL 649 CO 0.82 -0.57 0.75 1.41 -0.31 0.00 0.00 175.10 177.20 4req n HIS 650 N -2.71 0.76 -3.73 2.82 8.25 -0.71 -4.81 115.22 115.10 4req n HIS 650 Ca 0.05 0.25 -0.14 0.00 -0.26 0.00 0.00 57.72 57.62 4req n HIS 650 Cb 0.57 -0.98 -0.09 0.00 1.12 0.00 0.00 29.99 30.61 4req n HIS 650 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 4req s VAL 651 N -3.04 0.03 -0.31 1.59 0.11 -1.15 -1.32 120.40 116.31 4req s VAL 651 Ca -0.04 -0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 58.68 4req s VAL 651 Cb 0.09 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 4req s VAL 651 CO 0.82 -0.14 0.11 -0.69 -3.33 0.00 0.00 175.10 171.87 4req s VAL 652 N -0.75 4.13 -0.72 2.04 1.01 -0.03 -1.58 120.40 124.49 4req s VAL 652 Ca -0.08 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 4req s VAL 652 Cb -0.04 -3.15 0.14 0.00 0.00 0.00 0.00 36.38 33.32 4req s VAL 652 CO 0.04 0.03 0.81 -0.83 0.00 0.00 0.00 175.10 175.15 4req s GLY 653 N 1.52 2.01 0.09 4.51 0.00 0.15 -1.56 107.32 114.03 4req s GLY 653 Ca 0.03 -2.59 -0.30 0.00 0.00 0.00 0.00 44.72 41.85 4req s GLY 653 CO 0.04 1.60 1.07 0.14 0.00 0.00 0.00 173.10 175.95 4req s VAL 654 N 2.12 4.30 -0.35 1.40 1.01 0.88 -1.51 120.40 128.25 4req s VAL 654 Ca 0.18 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.93 4req s VAL 654 Cb -0.17 -4.14 0.09 0.00 0.00 0.00 0.00 36.38 32.17 4req s VAL 654 CO -0.01 0.21 0.09 -0.55 0.00 0.00 0.00 175.10 174.84 4req s SER 655 N 0.52 4.96 -0.22 3.32 0.15 -0.75 0.13 113.70 121.81 4req s SER 655 Ca 0.52 -1.89 -0.01 0.00 0.70 0.00 0.00 55.95 55.27 4req s SER 655 Cb -0.26 -1.72 0.02 0.00 -1.71 0.00 0.00 66.02 62.35 4req s SER 655 CO 0.31 -0.41 -0.11 -0.55 1.20 0.00 0.00 173.24 173.67 4req s SER 656 N 1.35 3.86 0.00 5.45 0.15 0.10 -4.66 113.70 119.95 4req s SER 656 Ca 0.05 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.99 4req s SER 656 Cb -0.21 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 4req s SER 656 CO -0.05 -0.06 0.12 0.18 1.20 0.00 0.00 173.24 174.64 4req n LEU 657 N 4.66 0.25 -0.40 3.45 4.32 -1.26 -2.06 117.00 125.95 4req n LEU 657 Ca -0.18 -0.45 0.14 0.00 -0.02 0.00 0.00 56.01 55.49 4req n LEU 657 Cb 0.49 0.00 0.52 0.00 -1.62 0.00 0.00 43.42 42.81 4req n LEU 657 CO 0.27 0.06 0.84 0.00 -1.22 0.00 0.00 177.39 177.34 4req n ALA 658 N -0.42 2.68 -0.51 -1.18 0.00 -1.26 -4.73 120.51 115.09 4req n ALA 658 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 4req n ALA 658 Cb 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.30 4req n ALA 658 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 659 N 1.20 0.74 1.33 0.00 0.00 -1.26 -4.34 105.19 102.86 4req n GLY 659 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 4req n GLY 659 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 660 N -2.49 2.35 0.18 -0.02 0.00 -1.26 -4.63 105.19 99.33 4req n GLY 660 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 4req n GLY 660 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 4req h HIS 661 N 4.24 -0.10 -0.89 1.61 -0.00 -1.93 -2.05 115.15 116.04 4req h HIS 661 Ca 0.00 0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.55 4req h HIS 661 Cb 0.97 0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 28.42 4req h HIS 661 CO 0.47 -0.13 0.57 -0.07 -0.00 0.00 0.00 177.93 178.77 4req h LEU 662 N 0.07 0.64 0.05 6.12 3.38 -1.98 -0.16 115.31 123.44 4req h LEU 662 Ca 0.22 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 58.03 4req h LEU 662 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 4req h LEU 662 CO -0.40 0.32 -1.03 0.71 0.09 0.00 0.00 178.44 178.13 4req h THR 663 N 0.68 1.18 -0.77 0.22 1.35 -1.89 -3.40 112.91 110.27 4req h THR 663 Ca 0.45 -2.32 -0.00 0.00 -0.55 0.00 0.00 66.41 63.98 4req h THR 663 Cb 0.73 2.72 -0.04 0.00 -1.73 0.00 0.00 68.15 69.83 4req h THR 663 CO -0.20 0.56 0.47 -0.07 -0.25 0.00 0.00 175.52 176.02 4req h LEU 664 N -0.69 0.92 -0.10 3.87 3.38 -1.11 -3.15 115.31 118.43 4req h LEU 664 Ca -0.25 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 4req h LEU 664 Cb 1.44 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 4req h LEU 664 CO -0.04 0.70 -0.03 0.58 0.09 0.00 0.00 178.44 179.75 4req h VAL 665 N 1.06 1.29 -0.44 1.22 2.07 -1.24 -3.03 116.25 117.19 4req h VAL 665 Ca 0.28 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.85 4req h VAL 665 Cb -0.05 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 4req h VAL 665 CO -0.05 0.27 0.26 1.55 0.02 0.00 0.00 177.57 179.62 4req h PRO 666 N -0.13 0.51 -0.87 1.57 0.13 -1.74 -2.75 132.00 128.71 4req h PRO 666 Ca 0.03 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.24 4req h PRO 666 Cb 0.44 -0.11 -0.08 0.00 0.13 0.00 0.00 31.00 31.38 4req h PRO 666 CO 0.01 0.34 0.50 0.00 -0.23 0.00 0.00 178.00 178.61 4req h ALA 667 N 1.19 1.29 -0.25 -0.56 0.00 -1.54 -2.26 119.26 117.14 4req h ALA 667 Ca 0.17 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 667 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 4req h ALA 667 CO -0.08 0.06 -0.44 1.25 0.00 0.00 0.00 179.25 180.04 4req h LEU 668 N 0.78 0.66 0.18 0.00 6.46 -1.40 -1.90 115.31 120.10 4req h LEU 668 Ca 0.44 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 4req h LEU 668 Cb 0.50 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 4req h LEU 668 CO -0.29 1.01 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.36 4req h ARG 669 N 0.50 -0.24 -0.59 1.25 9.65 -1.16 -1.85 114.38 121.94 4req h ARG 669 Ca 0.03 0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 4req h ARG 669 Cb 0.97 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 4req h ARG 669 CO 0.09 -0.07 0.16 0.87 2.80 0.00 0.00 179.97 183.82 4req h LYS 670 N -0.35 0.94 -0.52 0.20 1.79 -1.43 -2.06 116.57 115.14 4req h LYS 670 Ca -0.03 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 4req h LYS 670 Cb 0.27 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 4req h LYS 670 CO 0.04 0.85 0.21 1.49 -1.08 0.00 0.00 179.45 180.96 4req h GLU 671 N 0.85 0.75 -0.09 3.15 4.57 -1.23 0.11 114.58 122.69 4req h GLU 671 Ca 0.19 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 4req h GLU 671 Cb 0.32 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 4req h GLU 671 CO -0.00 0.62 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.35 4req h LEU 672 N 0.74 0.18 0.23 1.64 3.38 -1.09 -2.85 115.31 117.54 4req h LEU 672 Ca 0.18 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.78 4req h LEU 672 Cb 0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 4req h LEU 672 CO -0.02 0.51 -0.31 0.44 0.09 0.00 0.00 178.44 179.15 4req h ASP 673 N -0.16 -0.87 -1.06 -0.43 3.32 -1.15 -1.48 116.42 114.59 4req h ASP 673 Ca 0.02 0.09 0.29 0.00 0.02 0.00 0.00 57.03 57.45 4req h ASP 673 Cb 0.43 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 40.23 4req h ASP 673 CO 0.01 -0.42 0.72 0.50 -1.72 0.00 0.00 179.24 178.33 4req h LYS 674 N -0.60 0.20 -0.00 3.56 3.64 -0.73 0.39 116.57 123.03 4req h LYS 674 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 4req h LYS 674 Cb 0.58 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 4req h LYS 674 CO -0.11 0.13 -0.07 1.28 -2.27 0.00 0.00 179.45 178.40 4req n LEU 675 N -4.42 0.47 -1.51 5.20 4.77 -1.08 -4.96 117.00 115.47 4req n LEU 675 Ca 0.24 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 4req n LEU 675 Cb 1.00 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.97 4req n LEU 675 CO 0.33 0.08 0.05 0.61 -1.33 0.00 0.00 177.39 177.13 4req n GLY 676 N 1.23 0.38 2.52 -0.72 0.00 0.14 -5.03 105.19 103.69 4req n GLY 676 Ca 0.16 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 4req n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4req n ARG 677 N -1.80 0.43 0.00 1.61 5.12 -0.58 -4.98 116.66 116.46 4req n ARG 677 Ca -0.04 -2.66 0.14 0.00 -1.93 0.00 0.00 57.85 53.36 4req n ARG 677 Cb 0.53 -1.52 0.56 0.00 -1.16 0.00 0.00 32.46 30.87 4req n ARG 677 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 4req n PRO 678 N 2.55 1.47 0.08 5.56 -0.04 -1.26 -3.13 135.00 140.23 4req n PRO 678 Ca 0.23 -0.79 -0.17 0.00 -0.04 0.00 0.00 63.50 62.73 4req n PRO 678 Cb 0.53 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 4req n PRO 678 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 4req h ASP 679 N 1.92 0.42 -2.94 3.54 2.03 -1.95 -3.44 116.42 115.98 4req h ASP 679 Ca 0.00 -0.54 -0.57 0.00 -0.73 0.00 0.00 57.03 55.19 4req h ASP 679 Cb 0.44 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 38.77 4req h ASP 679 CO 0.00 1.44 1.00 -0.63 -1.03 0.00 0.00 179.24 180.02 4req s ILE 680 N -2.62 4.04 0.78 4.15 1.01 -1.18 -4.91 121.20 122.47 4req s ILE 680 Ca -0.08 1.21 -0.11 0.00 0.00 0.00 0.00 60.65 61.66 4req s ILE 680 Cb 0.07 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.65 4req s ILE 680 CO 0.86 -0.30 1.10 -0.76 0.00 0.00 0.00 174.94 175.84 4req s LEU 681 N 4.27 2.65 -0.07 2.97 1.43 -0.44 -4.85 118.68 124.64 4req s LEU 681 Ca 0.61 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 4req s LEU 681 Cb -0.21 -3.94 0.01 0.00 0.03 0.00 0.00 46.19 42.08 4req s LEU 681 CO 0.22 -1.89 -0.14 -0.63 0.23 0.00 0.00 176.35 174.15 4req s ILE 682 N -3.18 1.29 0.12 -0.59 1.01 -1.26 -0.85 121.20 117.75 4req s ILE 682 Ca 0.60 -0.56 0.11 0.00 0.00 0.00 0.00 60.65 60.80 4req s ILE 682 Cb -0.14 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 4req s ILE 682 CO 0.54 0.39 -0.26 0.42 0.00 0.00 0.00 174.94 176.03 4req s THR 683 N 0.66 2.20 -0.05 2.92 -4.23 -0.60 -0.11 115.64 116.43 4req s THR 683 Ca -0.14 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 58.69 4req s THR 683 Cb -0.16 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.73 4req s THR 683 CO 0.04 0.09 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.36 4req s VAL 684 N -1.06 1.39 0.17 2.29 1.01 -0.65 -0.08 120.40 123.48 4req s VAL 684 Ca 0.13 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.46 4req s VAL 684 Cb -0.10 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 4req s VAL 684 CO 0.06 0.40 -0.02 -0.83 0.00 0.00 0.00 175.10 174.71 4req s GLY 685 N 0.22 1.23 0.00 4.51 0.00 0.12 -0.57 107.32 112.82 4req s GLY 685 Ca -0.08 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.05 4req s GLY 685 CO 0.03 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.19 4req n GLY 686 N -0.25 0.60 3.47 0.20 0.00 -0.49 0.02 105.19 108.74 4req n GLY 686 Ca -0.07 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 4req n GLY 686 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 687 N -0.80 4.22 -0.19 1.61 1.01 -0.88 -3.93 120.40 121.45 4req s VAL 687 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 4req s VAL 687 Cb 0.00 -4.74 0.05 0.00 0.00 0.00 0.00 36.38 31.70 4req s VAL 687 CO 0.00 -1.54 -0.01 -0.63 0.00 0.00 0.00 175.10 172.92 4req s ILE 688 N 4.34 0.90 0.47 2.22 1.01 -1.26 -4.71 121.20 124.17 4req s ILE 688 Ca 0.25 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 4req s ILE 688 Cb -0.15 -1.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.00 4req s ILE 688 CO 0.10 -0.07 1.37 -2.65 0.00 0.00 0.00 174.94 173.69 4req n PRO 689 N 4.92 2.03 -0.02 2.79 -0.02 -1.26 -4.91 135.00 138.53 4req n PRO 689 Ca -0.10 0.73 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 4req n PRO 689 Cb 0.47 -2.55 0.59 0.00 -0.02 0.00 0.00 33.50 31.99 4req n PRO 689 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 4req h GLU 690 N 2.03 0.20 0.00 -0.52 4.57 -1.97 -2.56 114.58 116.34 4req h GLU 690 Ca -0.50 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 4req h GLU 690 Cb 1.28 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 4req h GLU 690 CO 0.60 0.13 0.00 1.96 -1.18 0.00 0.00 179.01 180.52 4req h GLN 691 N 0.21 0.00 -0.02 1.92 7.50 -1.97 -2.81 115.11 119.93 4req h GLN 691 Ca 0.25 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.40 4req h GLN 691 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.23 4req h GLN 691 CO -0.04 0.00 -0.14 -0.25 -1.50 0.00 0.00 178.83 176.90 4req n ASP 692 N -2.95 2.46 -0.13 1.46 8.00 -0.96 -4.69 116.55 119.74 4req n ASP 692 Ca -0.02 -1.73 -0.04 0.00 0.71 0.00 0.00 54.79 53.72 4req n ASP 692 Cb 0.13 0.16 0.17 0.00 -0.02 0.00 0.00 41.12 41.56 4req n ASP 692 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 4req h PHE 693 N 3.48 0.88 -0.20 1.24 0.04 -1.61 -2.17 116.94 118.59 4req h PHE 693 Ca 0.00 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 4req h PHE 693 Cb 0.81 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 4req h PHE 693 CO 0.00 0.76 -0.01 -0.44 -0.60 0.00 0.00 178.31 178.03 4req h ASP 694 N 0.80 0.36 -0.43 2.17 5.19 -1.83 -1.18 116.42 121.50 4req h ASP 694 Ca 0.17 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.23 4req h ASP 694 Cb 0.36 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 4req h ASP 694 CO 0.01 0.59 0.13 -0.08 -3.12 0.00 0.00 179.24 176.77 4req h GLU 695 N 0.12 0.66 -0.64 3.56 4.81 -1.88 -0.71 114.58 120.49 4req h GLU 695 Ca 0.06 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 4req h GLU 695 Cb 0.41 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 4req h GLU 695 CO 0.01 0.65 0.07 -0.07 -0.73 0.00 0.00 179.01 178.94 4req h LEU 696 N 0.55 1.04 -0.75 1.64 3.38 -1.35 -2.06 115.31 117.77 4req h LEU 696 Ca 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 4req h LEU 696 Cb 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 4req h LEU 696 CO -0.00 1.06 0.39 0.03 0.09 0.00 0.00 178.44 180.00 4req h ARG 697 N 0.99 1.05 0.00 1.13 3.08 -0.75 -1.72 114.38 118.16 4req h ARG 697 Ca 0.19 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 4req h ARG 697 Cb 0.48 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 4req h ARG 697 CO 0.02 0.80 -0.18 0.87 -1.07 0.00 0.00 179.97 180.41 4req h LYS 698 N 1.04 0.00 -0.00 0.04 1.57 -0.93 -3.08 116.57 115.20 4req h LYS 698 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 4req h LYS 698 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 4req h LYS 698 CO -0.04 0.18 -0.10 -0.25 -0.57 0.00 0.00 179.45 178.68 4req n ASP 699 N -3.42 0.14 0.00 0.86 8.00 -0.79 -4.93 116.55 116.40 4req n ASP 699 Ca -0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 4req n ASP 699 Cb 0.37 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 4req n ASP 699 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4req n GLY 700 N 1.44 1.45 3.63 0.44 0.00 -1.12 -4.26 105.19 106.77 4req n GLY 700 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 4req n GLY 700 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 701 N -1.80 3.28 0.05 4.61 0.00 -0.68 -4.20 121.76 123.02 4req s ALA 701 Ca 0.00 0.74 0.10 0.00 0.00 0.00 0.00 51.96 52.80 4req s ALA 701 Cb 0.00 -3.87 -0.21 0.00 0.00 0.00 0.00 23.12 19.04 4req s ALA 701 CO 0.00 -1.95 1.05 -0.39 0.00 0.00 0.00 175.76 174.47 4req h VAL 702 N 6.14 1.35 -3.92 0.00 -1.51 -0.85 -3.39 116.25 114.07 4req h VAL 702 Ca -0.39 -3.09 -0.31 0.00 -1.23 0.00 0.00 66.70 61.68 4req h VAL 702 Cb 1.19 2.66 -0.27 0.00 -2.13 0.00 0.00 31.29 32.74 4req h VAL 702 CO 0.98 0.77 -0.75 -1.61 -1.23 0.00 0.00 177.57 175.73 4req s GLU 703 N -2.68 0.44 -0.16 5.19 0.41 -1.26 -5.06 118.70 115.57 4req s GLU 703 Ca -0.01 -0.32 0.01 0.00 -0.41 0.00 0.00 54.97 54.24 4req s GLU 703 Cb 0.09 -0.37 0.03 0.00 -1.78 0.00 0.00 34.13 32.10 4req s GLU 703 CO 0.82 0.09 -0.14 0.42 -0.49 0.00 0.00 175.26 175.96 4req s ILE 704 N -0.43 1.66 -0.30 -1.63 1.01 -1.26 -1.63 121.20 118.63 4req s ILE 704 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.89 4req s ILE 704 Cb -0.04 -1.58 0.07 0.00 0.01 0.00 0.00 42.46 40.91 4req s ILE 704 CO -0.00 0.41 -0.02 -0.31 0.00 0.00 0.00 174.94 175.02 4req s TYR 705 N 1.44 3.36 0.59 3.97 2.02 0.26 -5.00 117.35 124.00 4req s TYR 705 Ca 0.04 -2.26 0.04 0.00 -0.37 0.00 0.00 57.07 54.52 4req s TYR 705 Cb -0.14 -2.24 0.07 0.00 -0.40 0.00 0.00 41.96 39.26 4req s TYR 705 CO -0.11 -0.87 0.82 0.95 -1.57 0.00 0.00 175.55 174.77 4req s THR 706 N 1.13 2.41 0.22 -0.71 -4.23 -1.26 -1.40 115.64 111.81 4req s THR 706 Ca -0.03 -0.78 -0.29 0.00 -1.18 0.00 0.00 61.69 59.40 4req s THR 706 Cb -0.20 -2.63 -0.16 0.00 1.34 0.00 0.00 72.50 70.86 4req s THR 706 CO -0.04 0.00 0.83 -2.65 -0.54 0.00 0.00 174.62 172.22 4req n PRO 707 N -2.39 0.71 0.00 3.99 -0.02 -1.25 -2.33 135.00 133.70 4req n PRO 707 Ca 0.12 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 4req n PRO 707 Cb 0.60 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 4req n PRO 707 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4req n GLY 708 N 1.66 1.42 3.61 -1.23 0.00 -1.26 -4.79 105.19 104.60 4req n GLY 708 Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 4req n GLY 708 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 4req n THR 709 N -2.00 0.16 -2.82 2.61 -1.04 -0.99 -4.93 114.28 105.26 4req n THR 709 Ca 0.00 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 4req n THR 709 Cb 0.00 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 4req n THR 709 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 4req s VAL 710 N 0.47 4.87 0.12 12.58 1.01 -1.26 -4.98 120.40 133.22 4req s VAL 710 Ca 0.81 1.80 -0.31 0.00 0.00 0.00 0.00 61.98 64.28 4req s VAL 710 Cb -0.86 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.23 4req s VAL 710 CO 0.45 0.07 1.57 0.40 0.00 0.00 0.00 175.10 177.60 4req h ILE 711 N 5.04 0.08 -1.00 2.22 2.04 -1.94 -1.98 117.51 121.97 4req h ILE 711 Ca -0.33 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.64 4req h ILE 711 Cb 1.16 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 4req h ILE 711 CO 0.82 0.00 0.63 1.55 0.00 0.00 0.00 178.15 181.15 4req h PRO 712 N -0.55 0.98 -0.61 2.37 0.13 -1.93 -0.93 132.00 131.45 4req h PRO 712 Ca 0.05 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 4req h PRO 712 Cb 0.66 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 4req h PRO 712 CO -0.40 0.65 0.40 1.49 -0.23 0.00 0.00 178.00 179.91 4req h GLU 713 N 1.01 0.80 -0.10 0.86 4.81 -1.79 -2.11 114.58 118.07 4req h GLU 713 Ca 0.49 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.55 4req h GLU 713 Cb 0.46 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 4req h GLU 713 CO -0.25 0.53 -0.47 0.66 -0.73 0.00 0.00 179.01 178.75 4req h SER 714 N 0.82 0.25 -0.12 1.04 4.64 -0.44 -2.88 113.55 116.86 4req h SER 714 Ca 0.23 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 4req h SER 714 Cb -0.09 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 4req h SER 714 CO -0.05 0.69 0.03 0.00 -0.87 0.00 0.00 176.83 176.63 4req h ALA 715 N 1.32 0.16 0.04 5.18 0.00 -0.95 -0.88 119.26 124.13 4req h ALA 715 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.81 4req h ALA 715 Cb 0.91 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 4req h ALA 715 CO 0.07 -0.20 -0.28 0.82 0.00 0.00 0.00 179.25 179.66 4req h ILE 716 N -0.00 0.38 -0.27 0.00 2.04 -1.39 0.90 117.51 119.17 4req h ILE 716 Ca 0.04 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 4req h ILE 716 Cb 0.26 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 4req h ILE 716 CO 0.00 0.00 -0.35 0.77 0.00 0.00 0.00 178.15 178.57 4req h SER 717 N -0.45 0.62 -0.42 1.72 4.64 -1.50 -2.51 113.55 115.65 4req h SER 717 Ca 0.05 -0.26 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 4req h SER 717 Cb 0.51 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 4req h SER 717 CO -0.21 0.92 -0.13 0.25 -0.87 0.00 0.00 176.83 176.79 4req h LEU 718 N 0.50 0.84 0.47 5.97 5.85 -0.87 -2.15 115.31 125.93 4req h LEU 718 Ca 0.05 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 4req h LEU 718 Cb 0.84 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.65 4req h LEU 718 CO 0.07 1.02 -0.23 0.58 -0.34 0.00 0.00 178.44 179.55 4req h VAL 719 N 0.65 0.52 -0.63 1.05 2.07 -0.85 -0.58 116.25 118.47 4req h VAL 719 Ca 0.10 -0.19 0.12 0.00 0.82 0.00 0.00 66.70 67.55 4req h VAL 719 Cb 0.67 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 4req h VAL 719 CO 0.05 0.03 0.14 0.11 0.02 0.00 0.00 177.57 177.92 4req h LYS 720 N -0.76 0.25 -0.38 1.57 1.57 -1.43 0.35 116.57 117.74 4req h LYS 720 Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 4req h LYS 720 Cb 0.54 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 4req h LYS 720 CO 0.11 0.17 0.24 -0.22 -0.57 0.00 0.00 179.45 179.18 4req h LYS 721 N 0.26 0.51 0.57 3.15 1.63 -1.33 -0.57 116.57 120.79 4req h LYS 721 Ca 0.34 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 4req h LYS 721 Cb 0.52 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 4req h LYS 721 CO -0.43 0.36 -0.33 1.25 -3.45 0.00 0.00 179.45 176.85 4req h LEU 722 N 0.51 -0.82 -0.18 5.20 5.85 -0.13 -2.13 115.31 123.62 4req h LEU 722 Ca 0.14 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.96 4req h LEU 722 Cb -0.03 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 4req h LEU 722 CO -0.03 -0.53 -0.30 0.03 -0.34 0.00 0.00 178.44 177.28 4req h ARG 723 N -0.85 -0.33 -0.64 1.25 2.47 -0.78 -0.76 114.38 114.73 4req h ARG 723 Ca -0.07 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.74 4req h ARG 723 Cb 0.68 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.02 4req h ARG 723 CO 0.08 -0.22 0.33 0.00 0.56 0.00 0.00 179.97 180.73 4req h ALA 724 N 0.55 0.86 0.46 0.04 0.00 -1.09 -2.21 119.26 117.88 4req h ALA 724 Ca 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 4req h ALA 724 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 4req h ALA 724 CO -0.37 -0.02 -0.22 1.03 0.00 0.00 0.00 179.25 179.67 4req h SER 725 N 0.61 -0.53 0.22 0.00 0.87 -0.85 -3.27 113.55 110.60 4req h SER 725 Ca 0.30 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 4req h SER 725 Cb 0.23 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 4req h SER 725 CO -0.21 -0.32 -0.01 -0.07 -0.53 0.00 0.00 176.83 175.69 4req h LEU 726 N -0.70 0.00 -3.87 2.23 3.38 -0.84 -3.12 115.31 112.39 4req h LEU 726 Ca -0.06 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.36 4req h LEU 726 Cb 0.52 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.98 4req h LEU 726 CO 0.10 0.01 0.43 0.47 0.09 0.00 0.00 178.44 179.55 4req n ASP 727 N -3.25 5.50 0.00 -0.43 8.00 -0.86 -5.08 116.55 120.43 4req n ASP 727 Ca -0.02 -3.74 0.00 0.00 0.71 0.00 0.00 54.79 51.74 4req n ASP 727 Cb 0.13 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 4req n ASP 727 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81