#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrd n LYS 3 N 0.00 -5.00 -2.60 1.61 5.02 -1.26 -4.78 118.16 111.16 3hrd n LYS 3 Ca 0.00 3.58 -0.42 0.00 -2.02 0.00 0.00 58.31 59.46 3hrd n LYS 3 Cb 0.00 -4.31 -0.02 0.00 -0.02 0.00 0.00 35.03 30.68 3hrd n LYS 3 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hrd s ASP 4 N -0.53 6.60 0.32 4.39 2.15 -1.26 -4.99 116.67 123.35 3hrd s ASP 4 Ca 0.00 -1.74 -0.27 0.00 0.43 0.00 0.00 52.55 50.97 3hrd s ASP 4 Cb 0.00 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.97 3hrd s ASP 4 CO 0.00 -1.39 0.99 -0.31 -0.17 0.00 0.00 175.17 174.29 3hrd s TYR 5 N 4.60 3.63 0.10 -5.34 2.02 -1.26 -4.97 117.35 116.12 3hrd s TYR 5 Ca 0.47 1.76 -0.19 0.00 -0.37 0.00 0.00 57.07 58.74 3hrd s TYR 5 Cb 0.01 -3.04 -0.07 0.00 -0.40 0.00 0.00 41.96 38.46 3hrd s TYR 5 CO -0.06 -0.05 1.61 0.37 -1.57 0.00 0.00 175.55 175.85 3hrd h GLN 6 N 3.29 0.37 0.00 -0.62 4.15 -2.04 -3.41 115.11 116.85 3hrd h GLN 6 Ca -0.47 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.87 3hrd h GLN 6 Cb 1.20 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3hrd h GLN 6 CO 0.65 0.45 -0.26 1.33 -1.93 0.00 0.00 178.83 179.06 3hrd n VAL 7 N -4.76 0.00 -1.69 2.39 0.24 -1.26 -5.04 118.33 108.21 3hrd n VAL 7 Ca -0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.84 3hrd n VAL 7 Cb 0.15 0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.54 3hrd n VAL 7 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3hrd n LEU 8 N -0.54 3.46 0.00 1.34 7.94 -1.26 -2.01 117.00 125.93 3hrd n LEU 8 Ca 0.00 1.21 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 3hrd n LEU 8 Cb 0.04 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.51 3hrd n LEU 8 CO 0.00 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.35 3hrd n GLY 9 N 0.79 2.99 3.77 -3.96 0.00 -1.26 -4.76 105.19 102.76 3hrd n GLY 9 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3hrd n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hrd s LYS 10 N -0.24 3.92 -1.55 1.61 1.02 -0.85 -4.90 119.74 118.75 3hrd s LYS 10 Ca 0.00 1.95 -0.10 0.00 0.02 0.00 0.00 55.97 57.84 3hrd s LYS 10 Cb 0.00 -2.63 -0.07 0.00 -0.52 0.00 0.00 37.83 34.61 3hrd s LYS 10 CO 0.00 -0.47 2.81 0.09 -0.92 0.00 0.00 175.35 176.87 3hrd n ASN 11 N -0.07 7.88 -4.76 2.83 3.02 -1.26 -4.93 115.26 117.96 3hrd n ASN 11 Ca 0.05 -2.59 -0.41 0.00 -0.03 0.00 0.00 54.58 51.61 3hrd n ASN 11 Cb 0.46 -1.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.06 3hrd n ASN 11 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hrd s LYS 12 N 2.40 4.46 0.20 3.52 -0.14 -1.26 -4.95 119.74 123.96 3hrd s LYS 12 Ca 0.65 2.07 -0.32 0.00 -1.36 0.00 0.00 55.97 57.01 3hrd s LYS 12 Cb 0.17 -3.12 -0.11 0.00 -1.68 0.00 0.00 37.83 33.09 3hrd s LYS 12 CO -0.06 -0.05 1.62 0.08 -0.76 0.00 0.00 175.35 176.18 3hrd s VAL 13 N -1.07 2.36 0.40 3.17 1.01 -1.26 -4.91 120.40 120.10 3hrd s VAL 13 Ca 0.48 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 3hrd s VAL 13 Cb -0.37 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 3hrd s VAL 13 CO 0.48 0.02 1.42 0.29 0.00 0.00 0.00 175.10 177.32 3hrd n LYS 14 N 3.75 2.38 0.10 2.72 5.02 -1.26 -4.88 118.16 126.00 3hrd n LYS 14 Ca 0.14 0.84 0.08 0.00 -2.02 0.00 0.00 58.31 57.35 3hrd n LYS 14 Cb 0.37 -2.59 0.38 0.00 -0.02 0.00 0.00 35.03 33.18 3hrd n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3hrd n VAL 15 N 0.12 1.27 0.01 -0.18 0.24 -1.26 -2.29 118.33 116.24 3hrd n VAL 15 Ca 0.04 0.54 0.00 0.00 -2.04 0.00 0.00 64.34 62.88 3hrd n VAL 15 Cb 0.39 -1.50 0.01 0.00 -1.47 0.00 0.00 33.84 31.27 3hrd n VAL 15 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hrd n ASP 16 N -1.97 1.61 0.11 -1.34 5.75 -1.26 -4.71 116.55 114.74 3hrd n ASP 16 Ca 0.00 -1.57 -0.04 0.00 -0.01 0.00 0.00 54.79 53.18 3hrd n ASP 16 Cb 0.07 -0.01 0.11 0.00 -1.03 0.00 0.00 41.12 40.26 3hrd n ASP 16 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3hrd h SER 17 N 0.13 0.10 -0.15 -1.12 0.02 -1.83 -3.29 113.55 107.41 3hrd h SER 17 Ca 0.00 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3hrd h SER 17 Cb 0.30 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3hrd h SER 17 CO 0.00 0.75 -0.11 0.25 -1.14 0.00 0.00 176.83 176.57 3hrd h LEU 18 N 0.06 -0.36 -1.53 5.07 5.85 -1.84 -0.88 115.31 121.67 3hrd h LEU 18 Ca -0.01 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3hrd h LEU 18 Cb 1.21 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3hrd h LEU 18 CO 0.09 -0.15 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.66 3hrd h GLU 19 N -0.13 0.24 -0.27 1.25 3.07 -1.92 -1.75 114.58 115.08 3hrd h GLU 19 Ca 0.09 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.72 3hrd h GLU 19 Cb 0.26 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3hrd h GLU 19 CO -0.22 0.31 -0.59 0.87 -1.40 0.00 0.00 179.01 177.97 3hrd h LYS 20 N 0.23 0.87 0.00 2.33 1.57 -1.46 -1.19 116.57 118.92 3hrd h LYS 20 Ca 0.05 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3hrd h LYS 20 Cb 0.25 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hrd h LYS 20 CO 0.01 1.21 0.00 -0.39 -0.57 0.00 0.00 179.45 179.71 3hrd h VAL 21 N 0.65 0.00 0.00 0.50 -1.51 -0.88 -3.22 116.25 111.79 3hrd h VAL 21 Ca 0.00 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 3hrd h VAL 21 Cb 1.21 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 32.31 3hrd h VAL 21 CO 0.13 0.00 -0.77 0.23 -1.23 0.00 0.00 177.57 175.93 3hrd n MET 22 N -3.03 0.15 -1.01 5.19 2.81 -0.68 -4.97 117.12 115.58 3hrd n MET 22 Ca 0.04 0.01 -0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3hrd n MET 22 Cb 0.51 -1.56 -0.00 0.00 -0.71 0.00 0.00 33.22 31.46 3hrd n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hrd n GLY 23 N 1.43 0.47 0.07 3.03 0.00 -0.75 -4.90 105.19 104.53 3hrd n GLY 23 Ca 0.04 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.73 3hrd n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hrd n THR 24 N -2.97 0.58 -1.68 2.61 -2.24 -0.79 -4.92 114.28 104.87 3hrd n THR 24 Ca -0.00 -0.59 -0.45 0.00 -2.27 0.00 0.00 64.05 60.74 3hrd n THR 24 Cb 0.02 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 3hrd n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hrd n ALA 25 N -2.31 1.51 -3.15 6.98 0.00 -0.52 -4.95 120.51 118.06 3hrd n ALA 25 Ca -0.07 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.44 3hrd n ALA 25 Cb 0.68 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 17.64 3hrd n ALA 25 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hrd s LYS 26 N 0.53 3.53 0.45 0.00 1.02 -1.26 -4.96 119.74 119.06 3hrd s LYS 26 Ca 0.75 -0.56 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 3hrd s LYS 26 Cb -0.65 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.36 3hrd s LYS 26 CO 0.41 -0.23 0.73 -0.06 -0.92 0.00 0.00 175.35 175.28 3hrd s PHE 27 N 1.58 3.52 0.28 3.18 0.08 -1.26 -3.11 117.98 122.24 3hrd s PHE 27 Ca 0.06 0.67 -0.05 0.00 0.12 0.00 0.00 56.93 57.72 3hrd s PHE 27 Cb -0.15 -2.22 0.53 0.00 -0.57 0.00 0.00 43.02 40.61 3hrd s PHE 27 CO 0.02 -0.21 1.58 0.00 -0.10 0.00 0.00 175.22 176.51 3hrd h ALA 28 N 0.34 0.83 0.00 5.36 0.00 -1.86 0.32 119.26 124.26 3hrd h ALA 28 Ca -0.48 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hrd h ALA 28 Cb 1.21 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3hrd h ALA 28 CO 0.61 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3hrd n ALA 29 N -3.29 1.38 1.68 0.00 0.00 -1.26 -1.97 120.51 117.06 3hrd n ALA 29 Ca 0.17 0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.85 3hrd n ALA 29 Cb 0.57 -1.29 0.73 0.00 0.00 0.00 0.00 19.45 19.46 3hrd n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hrd n ASP 30 N -2.02 0.58 -4.82 0.00 8.00 0.11 -4.84 116.55 113.56 3hrd n ASP 30 Ca 0.01 -1.03 -0.38 0.00 0.71 0.00 0.00 54.79 54.10 3hrd n ASP 30 Cb 0.13 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 3hrd n ASP 30 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hrd s TYR 31 N -2.13 3.73 -0.05 1.24 2.02 -0.83 -4.93 117.35 116.40 3hrd s TYR 31 Ca 0.40 1.08 -0.06 0.00 -0.37 0.00 0.00 57.07 58.12 3hrd s TYR 31 Cb 0.21 -2.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3hrd s TYR 31 CO 0.39 0.58 0.15 -1.12 -1.57 0.00 0.00 175.55 173.98 3hrd s SER 32 N -0.92 -0.13 0.13 2.29 0.01 -1.26 -5.05 113.70 108.77 3hrd s SER 32 Ca 0.26 0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.79 3hrd s SER 32 Cb -0.17 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 3hrd s SER 32 CO 0.15 -0.10 -0.10 -0.36 0.41 0.00 0.00 173.24 173.24 3hrd s PHE 33 N -0.15 1.15 0.27 2.43 0.08 -1.26 -5.10 117.98 115.40 3hrd s PHE 33 Ca -0.02 -0.76 -0.30 0.00 0.12 0.00 0.00 56.93 55.97 3hrd s PHE 33 Cb -0.02 -0.61 -0.10 0.00 -0.57 0.00 0.00 43.02 41.72 3hrd s PHE 33 CO 0.00 0.02 1.41 -2.14 -0.10 0.00 0.00 175.22 174.42 3hrd s PRO 34 N -3.52 4.28 -0.27 0.24 0.02 -1.26 -2.38 135.00 132.11 3hrd s PRO 34 Ca 0.13 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3hrd s PRO 34 Cb 0.02 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3hrd s PRO 34 CO -0.01 -0.37 0.00 -0.25 -0.33 0.00 0.00 177.00 176.04 3hrd n ASP 35 N 2.01 -4.59 -4.75 2.53 8.00 -1.26 -4.78 116.55 113.70 3hrd n ASP 35 Ca 0.05 0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.20 3hrd n ASP 35 Cb 0.41 -2.32 -0.02 0.00 -0.02 0.00 0.00 41.12 39.17 3hrd n ASP 35 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3hrd s MET 36 N -1.51 4.18 0.28 -1.24 -2.45 -1.00 -4.45 119.30 113.11 3hrd s MET 36 Ca 0.00 2.47 0.07 0.00 -1.25 0.00 0.00 55.69 56.98 3hrd s MET 36 Cb 0.00 -3.05 -0.03 0.00 1.25 0.00 0.00 34.83 33.01 3hrd s MET 36 CO 0.00 -0.53 0.30 -0.51 1.05 0.00 0.00 175.02 175.33 3hrd s LEU 37 N -0.70 3.90 0.05 4.11 1.43 0.16 -4.91 118.68 122.72 3hrd s LEU 37 Ca 0.60 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 3hrd s LEU 37 Cb -0.45 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 3hrd s LEU 37 CO 0.48 -0.18 0.01 -0.31 0.23 0.00 0.00 176.35 176.58 3hrd s TYR 38 N -2.15 3.05 0.12 0.29 1.51 0.17 -0.56 117.35 119.77 3hrd s TYR 38 Ca 0.37 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.52 3hrd s TYR 38 Cb -0.08 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 3hrd s TYR 38 CO 0.27 0.48 -0.15 0.00 -1.11 0.00 0.00 175.55 175.04 3hrd s ALA 39 N -1.23 1.52 0.18 3.71 0.00 0.03 -0.33 121.76 125.64 3hrd s ALA 39 Ca 0.24 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 3hrd s ALA 39 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3hrd s ALA 39 CO 0.15 0.14 0.21 0.20 0.00 0.00 0.00 175.76 176.46 3hrd s GLY 40 N -2.34 0.91 -0.04 0.00 0.00 -0.61 -4.63 107.32 100.62 3hrd s GLY 40 Ca 0.08 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 43.57 3hrd s GLY 40 CO 0.03 -1.11 -0.22 0.14 0.00 0.00 0.00 173.10 171.94 3hrd s VAL 41 N -4.06 1.80 -0.28 1.40 1.01 -1.26 -1.22 120.40 117.79 3hrd s VAL 41 Ca 0.27 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 3hrd s VAL 41 Cb 0.05 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3hrd s VAL 41 CO 0.06 0.51 0.59 0.12 0.00 0.00 0.00 175.10 176.37 3hrd s PHE 42 N -0.26 3.24 0.18 5.22 5.36 0.69 -4.99 117.98 127.41 3hrd s PHE 42 Ca 0.01 0.63 0.10 0.00 -0.96 0.00 0.00 56.93 56.70 3hrd s PHE 42 Cb -0.11 -2.87 -0.04 0.00 -0.34 0.00 0.00 43.02 39.65 3hrd s PHE 42 CO 0.02 -0.39 -0.15 1.03 -1.46 0.00 0.00 175.22 174.27 3hrd s ARG 43 N 2.49 1.88 0.53 10.12 0.52 -1.26 -1.35 118.95 131.87 3hrd s ARG 43 Ca 0.24 -1.33 -0.22 0.00 -0.52 0.00 0.00 55.73 53.91 3hrd s ARG 43 Cb -0.15 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 3hrd s ARG 43 CO 0.10 0.43 1.29 -1.54 0.02 0.00 0.00 175.30 175.60 3hrd s SER 44 N -2.70 5.47 0.00 0.23 1.04 0.12 -4.80 113.70 113.06 3hrd s SER 44 Ca 0.23 2.59 0.08 0.00 0.48 0.00 0.00 55.95 59.33 3hrd s SER 44 Cb -0.09 -2.62 0.17 0.00 0.10 0.00 0.00 66.02 63.58 3hrd s SER 44 CO 0.13 -1.42 1.04 0.35 0.98 0.00 0.00 173.24 174.32 3hrd n THR 45 N -0.99 0.68 -4.38 2.02 -2.24 -1.26 -0.53 114.28 107.58 3hrd n THR 45 Ca 0.10 -0.84 -0.26 0.00 -2.27 0.00 0.00 64.05 60.78 3hrd n THR 45 Cb 0.46 0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 3hrd n THR 45 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3hrd s VAL 46 N -0.89 2.17 0.07 2.28 -7.23 -1.26 -4.96 120.40 110.58 3hrd s VAL 46 Ca 0.14 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.37 3hrd s VAL 46 Cb 0.08 -1.98 -0.29 0.00 0.56 0.00 0.00 36.38 34.75 3hrd s VAL 46 CO 0.11 -0.08 1.13 1.55 -0.31 0.00 0.00 175.10 177.50 3hrd h PRO 47 N 3.51 0.33 -2.51 4.82 0.13 -1.93 -3.31 132.00 133.04 3hrd h PRO 47 Ca -0.47 -0.55 -0.23 0.00 -0.87 0.00 0.00 66.00 63.89 3hrd h PRO 47 Cb 1.19 0.20 -0.33 0.00 0.13 0.00 0.00 31.00 32.20 3hrd h PRO 47 CO 0.45 1.26 -0.54 -1.58 -0.23 0.00 0.00 178.00 177.35 3hrd s HIS 48 N -2.68 -0.49 -0.23 1.56 2.46 -1.26 -0.91 115.29 113.74 3hrd s HIS 48 Ca -0.05 0.73 -0.32 0.00 0.47 0.00 0.00 55.06 55.89 3hrd s HIS 48 Cb 0.07 -0.11 0.16 0.00 -0.13 0.00 0.00 32.58 32.57 3hrd s HIS 48 CO 0.89 -0.53 1.25 0.00 -2.47 0.00 0.00 174.74 173.89 3hrd s ALA 49 N 2.43 -2.08 0.25 1.58 0.00 -0.84 -0.16 121.76 122.94 3hrd s ALA 49 Ca 0.06 1.75 -0.08 0.00 0.00 0.00 0.00 51.96 53.68 3hrd s ALA 49 Cb -0.14 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.09 3hrd s ALA 49 CO -0.12 -0.40 0.56 1.03 0.00 0.00 0.00 175.76 176.83 3hrd s ARG 50 N -1.59 3.75 -0.37 0.00 0.52 -0.81 -0.39 118.95 120.07 3hrd s ARG 50 Ca 0.08 0.21 -0.18 0.00 -0.52 0.00 0.00 55.73 55.31 3hrd s ARG 50 Cb -0.01 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.82 3hrd s ARG 50 CO -0.05 0.28 0.52 0.42 0.02 0.00 0.00 175.30 176.49 3hrd s ILE 51 N -1.91 5.00 -0.03 1.52 1.01 -1.26 -0.67 121.20 124.86 3hrd s ILE 51 Ca 0.47 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.13 3hrd s ILE 51 Cb -0.11 -4.00 -0.21 0.00 0.01 0.00 0.00 42.46 38.15 3hrd s ILE 51 CO 0.24 -0.28 1.11 0.58 0.00 0.00 0.00 174.94 176.59 3hrd h VAL 52 N 5.65 1.49 -3.17 2.92 2.07 -0.57 -3.47 116.25 121.18 3hrd h VAL 52 Ca -0.27 -1.75 -0.12 0.00 0.82 0.00 0.00 66.70 65.38 3hrd h VAL 52 Cb 1.12 2.54 -0.19 0.00 -1.52 0.00 0.00 31.29 33.23 3hrd h VAL 52 CO 0.79 0.48 -0.30 -0.94 0.02 0.00 0.00 177.57 177.62 3hrd s SER 53 N -6.22 -0.14 -0.09 0.57 1.04 -1.11 -4.97 113.70 102.77 3hrd s SER 53 Ca -0.15 -0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 3hrd s SER 53 Cb 0.02 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.49 3hrd s SER 53 CO 0.74 -0.47 0.12 -0.22 0.98 0.00 0.00 173.24 174.39 3hrd s LEU 54 N -1.51 0.03 -0.25 2.42 2.96 -1.26 -1.42 118.68 119.65 3hrd s LEU 54 Ca -0.12 0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3hrd s LEU 54 Cb -0.04 0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.74 3hrd s LEU 54 CO 0.02 -0.26 0.03 -0.62 -1.32 0.00 0.00 176.35 174.20 3hrd s ASP 55 N 2.24 4.78 0.00 3.68 2.15 -0.73 -4.93 116.67 123.87 3hrd s ASP 55 Ca 0.04 -0.46 0.08 0.00 0.43 0.00 0.00 52.55 52.63 3hrd s ASP 55 Cb -0.13 -1.83 0.02 0.00 -0.30 0.00 0.00 42.92 40.68 3hrd s ASP 55 CO -0.06 -0.08 0.61 0.18 -0.17 0.00 0.00 175.17 175.65 3hrd n LEU 56 N 4.85 1.25 -0.06 -1.34 4.77 -1.26 -3.05 117.00 122.15 3hrd n LEU 56 Ca -0.16 -0.84 -0.09 0.00 -0.03 0.00 0.00 56.01 54.89 3hrd n LEU 56 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3hrd n LEU 56 CO 0.30 0.25 0.93 0.77 -1.33 0.00 0.00 177.39 178.32 3hrd h SER 57 N 1.08 0.14 0.20 -1.43 4.64 -1.93 -0.83 113.55 115.42 3hrd h SER 57 Ca 0.00 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3hrd h SER 57 Cb 0.28 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3hrd h SER 57 CO 0.00 0.11 -0.24 0.11 -0.87 0.00 0.00 176.83 175.94 3hrd h LYS 58 N 0.23 0.07 -0.17 4.77 1.57 -1.84 -1.40 116.57 119.80 3hrd h LYS 58 Ca 0.10 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 3hrd h LYS 58 Cb 0.05 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hrd h LYS 58 CO -0.09 0.32 -0.71 0.00 -0.57 0.00 0.00 179.45 178.40 3hrd h ALA 59 N 1.69 0.43 0.00 3.86 0.00 -1.65 -3.11 119.26 120.48 3hrd h ALA 59 Ca 0.01 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 3hrd h ALA 59 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hrd h ALA 59 CO 0.03 0.70 -0.39 0.00 0.00 0.00 0.00 179.25 179.59 3hrd h ARG 60 N 0.50 0.00 0.00 0.00 3.08 -0.72 -3.05 114.38 114.19 3hrd h ARG 60 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hrd h ARG 60 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3hrd h ARG 60 CO 0.14 0.39 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 3hrd n ALA 61 N -2.43 1.95 -2.16 0.04 0.00 -0.57 -4.79 120.51 112.54 3hrd n ALA 61 Ca -0.02 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3hrd n ALA 61 Cb 0.43 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 3hrd n ALA 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hrd s ILE 62 N -3.22 3.63 -0.09 0.00 1.01 -1.15 -4.93 121.20 116.44 3hrd s ILE 62 Ca 0.07 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.41 3hrd s ILE 62 Cb 0.11 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 3hrd s ILE 62 CO 0.49 -0.02 1.82 -0.62 0.00 0.00 0.00 174.94 176.61 3hrd s ASP 63 N 2.16 6.36 0.00 3.58 -1.08 -1.26 -1.89 116.67 124.54 3hrd s ASP 63 Ca 0.66 2.17 0.00 0.00 -0.52 0.00 0.00 52.55 54.86 3hrd s ASP 63 Cb -0.32 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.61 3hrd s ASP 63 CO 0.27 -1.19 0.00 0.61 0.52 0.00 0.00 175.17 175.38 3hrd n GLY 64 N 4.61 1.62 3.58 2.66 0.00 -1.26 -5.06 105.19 111.34 3hrd n GLY 64 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3hrd n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrd s VAL 65 N -1.93 5.27 0.00 1.61 1.01 -0.79 -1.35 120.40 124.22 3hrd s VAL 65 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.23 3hrd s VAL 65 Cb 0.00 -3.60 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 3hrd s VAL 65 CO 0.00 0.18 0.84 -0.33 0.00 0.00 0.00 175.10 175.79 3hrd h GLU 66 N 8.36 0.07 -2.34 2.72 4.39 -1.40 -3.47 114.58 122.91 3hrd h GLU 66 Ca -0.34 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.16 3hrd h GLU 66 Cb 1.18 0.05 -0.20 0.00 -0.10 0.00 0.00 28.75 29.67 3hrd h GLU 66 CO 0.59 0.80 0.01 0.00 -1.16 0.00 0.00 179.01 179.25 3hrd s ALA 67 N -2.63 -1.44 -0.26 3.43 0.00 -1.09 -4.99 121.76 114.78 3hrd s ALA 67 Ca -0.05 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 3hrd s ALA 67 Cb 0.08 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.94 3hrd s ALA 67 CO 0.83 -0.31 0.16 0.08 0.00 0.00 0.00 175.76 176.52 3hrd s VAL 68 N -0.63 -0.16 0.12 0.00 1.01 -1.26 -1.31 120.40 118.17 3hrd s VAL 68 Ca -0.07 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.44 3hrd s VAL 68 Cb -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3hrd s VAL 68 CO 0.05 -0.56 -0.18 -0.76 0.00 0.00 0.00 175.10 173.66 3hrd s LEU 69 N 2.18 2.71 0.00 3.92 1.43 -0.04 -4.93 118.68 123.96 3hrd s LEU 69 Ca 0.08 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3hrd s LEU 69 Cb -0.16 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 3hrd s LEU 69 CO -0.29 0.18 0.00 -0.90 0.23 0.00 0.00 176.35 175.57 3hrd n ASP 70 N 0.76 2.61 0.08 2.29 5.68 -1.26 -0.47 116.55 126.23 3hrd n ASP 70 Ca -0.15 -2.12 0.21 0.00 -0.50 0.00 0.00 54.79 52.22 3hrd n ASP 70 Cb 0.53 0.20 0.73 0.00 -1.14 0.00 0.00 41.12 41.44 3hrd n ASP 70 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 3hrd h TYR 71 N 1.14 0.00 0.00 2.11 -0.00 -1.80 -0.99 116.97 117.44 3hrd h TYR 71 Ca -0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.52 3hrd h TYR 71 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.37 3hrd h TYR 71 CO 0.00 0.00 -0.01 0.45 -0.00 0.00 0.00 178.16 178.60 3hrd h HIS 72 N 0.00 0.00 0.00 0.10 3.86 -1.95 -2.15 115.15 115.01 3hrd h HIS 72 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3hrd h HIS 72 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 3hrd h HIS 72 CO 0.00 0.01 0.00 0.00 0.86 0.00 0.00 177.93 178.80 3hrd n ALA 73 N -2.17 2.31 -2.60 2.45 0.00 -0.37 -4.79 120.51 115.34 3hrd n ALA 73 Ca -0.03 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 3hrd n ALA 73 Cb 0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3hrd n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hrd s ILE 74 N -3.03 4.58 -0.16 0.00 1.01 -0.81 -4.92 121.20 117.87 3hrd s ILE 74 Ca 0.13 1.89 0.15 0.00 0.00 0.00 0.00 60.65 62.82 3hrd s ILE 74 Cb 0.17 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.46 3hrd s ILE 74 CO 0.55 -0.10 1.38 1.55 0.00 0.00 0.00 174.94 178.33 3hrd h PRO 75 N 7.48 0.00 0.00 2.79 0.13 -1.87 -3.47 132.00 137.06 3hrd h PRO 75 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hrd h PRO 75 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hrd h PRO 75 CO 0.93 0.47 0.00 0.41 -0.23 0.00 0.00 178.00 179.58 3hrd n GLY 76 N 1.24 1.88 3.89 1.56 0.00 0.40 -4.82 105.19 109.34 3hrd n GLY 76 Ca 0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 3hrd n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrd s LYS 77 N 4.52 3.56 -0.17 1.61 -2.85 -0.67 -4.95 119.74 120.79 3hrd s LYS 77 Ca 0.00 0.47 0.17 0.00 -1.00 0.00 0.00 55.97 55.61 3hrd s LYS 77 Cb 0.00 -2.23 0.44 0.00 -2.06 0.00 0.00 37.83 33.99 3hrd s LYS 77 CO 0.00 -0.40 1.18 -1.71 0.10 0.00 0.00 175.35 174.53 3hrd n ASN 78 N -2.51 2.07 -3.83 0.03 5.15 -1.26 -4.44 115.26 110.48 3hrd n ASN 78 Ca 0.03 -3.03 -0.20 0.00 -0.60 0.00 0.00 54.58 50.79 3hrd n ASN 78 Cb 0.55 -0.42 -0.17 0.00 -0.53 0.00 0.00 39.78 39.21 3hrd n ASN 78 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hrd s ARG 79 N -2.43 0.55 0.31 1.20 1.81 -1.26 -3.62 118.95 115.52 3hrd s ARG 79 Ca 0.38 0.03 0.05 0.00 -1.72 0.00 0.00 55.73 54.47 3hrd s ARG 79 Cb 0.38 -0.74 -0.03 0.00 -0.45 0.00 0.00 34.95 34.11 3hrd s ARG 79 CO -0.08 -0.17 0.21 -0.06 -0.68 0.00 0.00 175.30 174.53 3hrd s PHE 80 N 1.28 1.61 0.00 -0.53 0.08 0.32 -4.93 117.98 115.81 3hrd s PHE 80 Ca -0.06 -1.52 0.00 0.00 0.12 0.00 0.00 56.93 55.47 3hrd s PHE 80 Cb -0.13 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 3hrd s PHE 80 CO -0.02 -0.71 0.00 0.41 -0.10 0.00 0.00 175.22 174.80 3hrd n GLY 81 N -0.57 4.26 0.33 4.36 0.00 -1.26 -1.25 105.19 111.06 3hrd n GLY 81 Ca 0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 3hrd n GLY 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hrd h ILE 82 N 0.00 1.23 0.00 -0.61 6.09 -1.93 -3.39 117.51 118.90 3hrd h ILE 82 Ca 0.00 -0.44 -0.04 0.00 -1.37 0.00 0.00 64.86 63.00 3hrd h ILE 82 Cb 0.00 -0.03 -0.01 0.00 0.47 0.00 0.00 36.82 37.25 3hrd h ILE 82 CO 0.00 0.23 -0.89 -0.38 -3.07 0.00 0.00 178.15 174.04 3hrd n ILE 83 N -4.46 0.53 -4.52 2.19 5.41 -1.26 -5.02 119.36 112.23 3hrd n ILE 83 Ca 0.09 0.07 -0.33 0.00 1.00 0.00 0.00 62.75 63.58 3hrd n ILE 83 Cb 0.03 -1.59 -0.13 0.00 -0.71 0.00 0.00 39.64 37.23 3hrd n ILE 83 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hrd s ILE 84 N -2.09 3.50 -1.31 1.39 -1.09 -1.26 -5.03 121.20 115.32 3hrd s ILE 84 Ca -0.05 -0.49 -0.13 0.00 -2.23 0.00 0.00 60.65 57.75 3hrd s ILE 84 Cb 0.02 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 3hrd s ILE 84 CO 0.06 0.50 2.37 0.29 -1.23 0.00 0.00 174.94 176.94 3hrd n LYS 85 N 3.63 2.75 -0.07 2.79 4.76 -1.26 -4.12 118.16 126.65 3hrd n LYS 85 Ca -0.18 -2.19 0.05 0.00 -2.87 0.00 0.00 58.31 53.13 3hrd n LYS 85 Cb 0.52 -2.96 0.09 0.00 -1.84 0.00 0.00 35.03 30.84 3hrd n LYS 85 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3hrd n ASP 86 N 5.34 2.29 -4.71 4.39 5.75 -0.99 -4.45 116.55 124.19 3hrd n ASP 86 Ca 0.58 -1.67 -0.35 0.00 -0.01 0.00 0.00 54.79 53.34 3hrd n ASP 86 Cb 0.31 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.22 3hrd n ASP 86 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3hrd s GLU 87 N -0.93 3.63 0.64 0.11 2.02 -0.38 -4.92 118.70 118.86 3hrd s GLU 87 Ca 0.16 -0.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.81 3hrd s GLU 87 Cb 0.10 -3.12 0.05 0.00 0.10 0.00 0.00 34.13 31.26 3hrd s GLU 87 CO 0.14 0.49 0.91 -1.25 0.02 0.00 0.00 175.26 175.58 3hrd s PRO 88 N -0.25 2.38 -0.19 0.39 0.04 -1.26 0.12 135.00 136.23 3hrd s PRO 88 Ca 0.08 -0.43 -0.20 0.00 0.04 0.00 0.00 61.00 60.49 3hrd s PRO 88 Cb -0.12 -2.30 -0.21 0.00 0.04 0.00 0.00 34.50 31.92 3hrd s PRO 88 CO 0.01 -1.00 0.28 0.00 0.04 0.00 0.00 177.00 176.33 3hrd s LEU 90 N -7.79 1.54 0.14 0.00 1.43 -1.26 -4.78 118.68 107.96 3hrd s LEU 90 Ca -0.27 -0.20 -0.35 0.00 -1.03 0.00 0.00 54.13 52.28 3hrd s LEU 90 Cb 0.05 -0.60 -0.15 0.00 0.03 0.00 0.00 46.19 45.52 3hrd s LEU 90 CO 0.62 0.00 1.46 0.52 0.23 0.00 0.00 176.35 179.19 3hrd n VAL 91 N 3.79 0.07 0.00 -1.59 0.31 0.15 -4.61 118.33 116.45 3hrd n VAL 91 Ca -0.23 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3hrd n VAL 91 Cb 0.52 -1.23 -0.00 0.00 -0.91 0.00 0.00 33.84 32.22 3hrd n VAL 91 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3hrd n ASP 92 N 2.96 0.13 -0.04 4.52 5.68 -1.26 -4.54 116.55 123.99 3hrd n ASP 92 Ca 0.17 0.02 -0.14 0.00 -0.50 0.00 0.00 54.79 54.34 3hrd n ASP 92 Cb 0.25 -0.18 -0.08 0.00 -1.14 0.00 0.00 41.12 39.97 3hrd n ASP 92 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3hrd h ASP 93 N -0.03 0.33 -4.19 -1.12 2.03 -1.99 -3.47 116.42 107.98 3hrd h ASP 93 Ca 0.00 -0.54 0.15 0.00 -0.73 0.00 0.00 57.03 55.91 3hrd h ASP 93 Cb 0.03 -0.09 -0.20 0.00 -0.83 0.00 0.00 39.33 38.23 3hrd h ASP 93 CO 0.00 0.81 0.65 -1.59 -1.03 0.00 0.00 179.24 178.08 3hrd s LYS 94 N -4.05 0.52 0.14 4.15 -2.85 -1.26 -4.62 119.74 111.77 3hrd s LYS 94 Ca -0.14 -0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 54.46 3hrd s LYS 94 Cb 0.04 0.24 -0.07 0.00 -2.06 0.00 0.00 37.83 35.99 3hrd s LYS 94 CO 0.75 -0.20 1.08 0.08 0.10 0.00 0.00 175.35 177.16 3hrd s VAL 95 N -2.00 4.06 -0.13 1.79 1.01 0.48 -4.94 120.40 120.66 3hrd s VAL 95 Ca 0.04 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.74 3hrd s VAL 95 Cb -0.01 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3hrd s VAL 95 CO -0.04 0.26 0.25 0.54 0.00 0.00 0.00 175.10 176.11 3hrd n ARG 96 N 2.72 3.77 -3.83 2.72 1.74 -1.25 -1.98 116.66 120.55 3hrd n ARG 96 Ca 0.04 -0.23 -0.09 0.00 -0.77 0.00 0.00 57.85 56.80 3hrd n ARG 96 Cb 0.47 -0.75 -0.03 0.00 -1.02 0.00 0.00 32.46 31.13 3hrd n ARG 96 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3hrd s ARG 97 N -0.77 1.57 0.24 5.56 1.70 -0.08 -4.51 118.95 122.65 3hrd s ARG 97 Ca 0.01 -0.98 -0.30 0.00 -0.47 0.00 0.00 55.73 53.99 3hrd s ARG 97 Cb 0.01 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 3hrd s ARG 97 CO 0.05 -0.69 1.05 -0.47 -1.08 0.00 0.00 175.30 174.16 3hrd s TYR 98 N -3.92 3.71 0.00 5.89 5.04 -1.25 -3.21 117.35 123.62 3hrd s TYR 98 Ca 0.12 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.50 3hrd s TYR 98 Cb -0.03 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.10 3hrd s TYR 98 CO 0.03 -0.23 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 3hrd n GLY 99 N 1.51 0.63 3.75 8.97 0.00 0.31 -4.93 105.19 115.43 3hrd n GLY 99 Ca -0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3hrd n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hrd s ASP 100 N -2.11 6.55 -0.18 1.61 1.01 -1.20 -4.56 116.67 117.79 3hrd s ASP 100 Ca 0.00 2.80 -0.29 0.00 0.71 0.00 0.00 52.55 55.76 3hrd s ASP 100 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 3hrd s ASP 100 CO 0.00 -0.77 1.26 0.00 0.21 0.00 0.00 175.17 175.87 3hrd s ALA 101 N -0.22 3.63 -0.15 5.23 0.00 -1.26 -0.70 121.76 128.28 3hrd s ALA 101 Ca 0.59 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 3hrd s ALA 101 Cb -0.44 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 18.96 3hrd s ALA 101 CO 0.48 -1.23 -0.16 -0.89 0.00 0.00 0.00 175.76 173.96 3hrd n ILE 102 N 5.46 0.87 -3.85 0.00 5.41 -0.46 -0.67 119.36 126.12 3hrd n ILE 102 Ca 0.14 -0.29 -0.09 0.00 1.00 0.00 0.00 62.75 63.50 3hrd n ILE 102 Cb 0.45 -1.27 -0.07 0.00 -0.71 0.00 0.00 39.64 38.04 3hrd n ILE 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hrd s ALA 103 N -2.30 -0.28 0.15 -1.39 0.00 -1.15 -4.31 121.76 112.48 3hrd s ALA 103 Ca -0.21 -0.51 0.08 0.00 0.00 0.00 0.00 51.96 51.33 3hrd s ALA 103 Cb 0.06 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 3hrd s ALA 103 CO 0.33 -0.47 -0.19 0.14 0.00 0.00 0.00 175.76 175.57 3hrd s VAL 104 N -3.48 1.81 0.00 0.00 -7.23 0.38 -0.23 120.40 111.65 3hrd s VAL 104 Ca 0.02 -1.86 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 3hrd s VAL 104 Cb 0.03 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 3hrd s VAL 104 CO -0.09 -0.27 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.61 3hrd s VAL 105 N -1.90 1.03 -0.08 1.32 1.01 -0.36 -0.86 120.40 120.57 3hrd s VAL 105 Ca 0.14 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3hrd s VAL 105 Cb -0.06 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.45 3hrd s VAL 105 CO 0.06 0.22 -0.15 0.00 0.00 0.00 0.00 175.10 175.23 3hrd s ALA 106 N -0.43 1.51 0.24 5.51 0.00 -0.43 -1.58 121.76 126.58 3hrd s ALA 106 Ca 0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 3hrd s ALA 106 Cb -0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3hrd s ALA 106 CO -0.00 0.09 0.38 0.00 0.00 0.00 0.00 175.76 176.23 3hrd s ALA 107 N 0.71 0.22 0.28 0.00 0.00 0.55 -1.00 121.76 122.53 3hrd s ALA 107 Ca -0.13 -1.15 0.28 0.00 0.00 0.00 0.00 51.96 50.96 3hrd s ALA 107 Cb -0.16 1.17 1.30 0.00 0.00 0.00 0.00 23.12 25.43 3hrd s ALA 107 CO 0.03 -0.78 1.99 1.96 0.00 0.00 0.00 175.76 178.96 3hrd h GLN 108 N 2.35 0.00 -3.68 0.00 4.20 -1.51 0.48 115.11 116.94 3hrd h GLN 108 Ca -0.29 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 3hrd h GLN 108 Cb 1.25 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.87 3hrd h GLN 108 CO 0.40 0.13 -0.38 0.95 -0.67 0.00 0.00 178.83 179.27 3hrd s THR 109 N -3.91 0.13 0.38 -0.54 -4.23 -1.26 -4.66 115.64 101.55 3hrd s THR 109 Ca -0.01 -1.04 0.07 0.00 -1.18 0.00 0.00 61.69 59.54 3hrd s THR 109 Cb 0.11 -1.13 0.30 0.00 1.34 0.00 0.00 72.50 73.12 3hrd s THR 109 CO 0.59 -0.57 1.97 -0.65 -0.54 0.00 0.00 174.62 175.42 3hrd h PRO 110 N 3.09 0.65 -0.50 3.99 0.11 -1.92 -1.33 132.00 136.08 3hrd h PRO 110 Ca -0.33 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 3hrd h PRO 110 Cb 1.20 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3hrd h PRO 110 CO 0.52 0.43 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.24 3hrd h ASP 111 N 0.67 0.87 -0.60 -2.05 3.32 -1.99 -2.02 116.42 114.63 3hrd h ASP 111 Ca 0.29 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3hrd h ASP 111 Cb 0.27 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3hrd h ASP 111 CO -0.09 0.97 0.05 -0.07 -1.72 0.00 0.00 179.24 178.38 3hrd h LEU 112 N 0.81 0.99 0.09 1.55 3.38 -1.67 -0.83 115.31 119.63 3hrd h LEU 112 Ca 0.14 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hrd h LEU 112 Cb 0.57 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3hrd h LEU 112 CO 0.03 1.03 -0.18 0.58 0.09 0.00 0.00 178.44 179.99 3hrd h VAL 113 N 0.92 0.58 -1.01 1.22 2.07 -1.11 0.90 116.25 119.83 3hrd h VAL 113 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 3hrd h VAL 113 Cb 0.49 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3hrd h VAL 113 CO 0.02 0.00 0.66 -0.61 0.02 0.00 0.00 177.57 177.66 3hrd h GLN 114 N -0.34 1.22 -0.83 1.57 5.75 -1.22 -0.31 115.11 120.94 3hrd h GLN 114 Ca 0.03 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3hrd h GLN 114 Cb 0.37 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 3hrd h GLN 114 CO -0.11 0.80 0.50 1.49 -2.65 0.00 0.00 178.83 178.86 3hrd h GLU 115 N 1.25 1.12 -0.35 1.69 4.81 -0.47 -0.10 114.58 122.55 3hrd h GLU 115 Ca 0.41 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 3hrd h GLU 115 Cb 0.04 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3hrd h GLU 115 CO -0.14 0.79 0.12 0.00 -0.73 0.00 0.00 179.01 179.05 3hrd h ALA 116 N 1.27 0.45 -0.46 2.92 0.00 0.36 -2.05 119.26 121.76 3hrd h ALA 116 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hrd h ALA 116 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hrd h ALA 116 CO -0.06 0.08 0.27 -0.07 0.00 0.00 0.00 179.25 179.47 3hrd h LEU 117 N 0.41 0.55 -2.11 0.00 3.38 -0.70 -2.25 115.31 114.59 3hrd h LEU 117 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hrd h LEU 117 Cb 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3hrd h LEU 117 CO -0.01 0.45 -0.06 0.44 0.09 0.00 0.00 178.44 179.36 3hrd h ASP 118 N 0.60 0.00 0.74 -0.43 3.32 -0.84 -2.24 116.42 117.58 3hrd h ASP 118 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3hrd h ASP 118 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hrd h ASP 118 CO -0.03 0.06 -0.29 0.00 -1.72 0.00 0.00 179.24 177.27 3hrd n ALA 119 N -2.38 2.99 -2.33 3.45 0.00 -0.79 -4.84 120.51 116.61 3hrd n ALA 119 Ca -0.03 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 3hrd n ALA 119 Cb 0.15 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 3hrd n ALA 119 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hrd s ILE 120 N -3.01 4.61 0.22 0.00 1.01 -0.85 -4.38 121.20 118.80 3hrd s ILE 120 Ca 0.12 1.88 0.12 0.00 0.00 0.00 0.00 60.65 62.76 3hrd s ILE 120 Cb 0.18 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3hrd s ILE 120 CO 0.63 0.33 -0.23 0.42 0.00 0.00 0.00 174.94 176.09 3hrd s THR 121 N -0.01 2.38 0.05 2.92 -4.23 -1.17 -5.02 115.64 110.56 3hrd s THR 121 Ca 0.43 -2.14 -0.19 0.00 -1.18 0.00 0.00 61.69 58.61 3hrd s THR 121 Cb -0.22 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.49 3hrd s THR 121 CO 0.27 -0.20 0.45 -0.51 -0.54 0.00 0.00 174.62 174.08 3hrd s ILE 122 N -1.92 0.05 -0.10 2.99 2.07 -1.26 -1.78 121.20 121.25 3hrd s ILE 122 Ca 0.23 -0.39 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 3hrd s ILE 122 Cb -0.07 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.57 3hrd s ILE 122 CO 0.11 -0.22 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.11 3hrd s GLU 123 N -2.57 1.81 0.22 3.50 2.12 -0.51 -4.98 118.70 118.31 3hrd s GLU 123 Ca -0.05 -0.40 0.05 0.00 0.36 0.00 0.00 54.97 54.94 3hrd s GLU 123 Cb -0.01 -1.66 -0.03 0.00 0.26 0.00 0.00 34.13 32.69 3hrd s GLU 123 CO -0.03 -0.14 0.25 0.71 -0.54 0.00 0.00 175.26 175.52 3hrd s TYR 124 N 1.23 3.28 -0.53 5.30 1.51 -1.26 0.18 117.35 127.06 3hrd s TYR 124 Ca -0.03 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 3hrd s TYR 124 Cb -0.14 -1.51 0.13 0.00 -0.11 0.00 0.00 41.96 40.34 3hrd s TYR 124 CO -0.04 0.49 0.28 -2.00 -1.11 0.00 0.00 175.55 173.17 3hrd s GLU 125 N -3.70 2.04 0.12 -0.62 2.12 0.16 -4.78 118.70 114.04 3hrd s GLU 125 Ca 0.33 -2.59 -0.31 0.00 0.36 0.00 0.00 54.97 52.75 3hrd s GLU 125 Cb -0.09 -3.37 -0.08 0.00 0.26 0.00 0.00 34.13 30.85 3hrd s GLU 125 CO 0.26 -1.11 1.46 -1.21 -0.54 0.00 0.00 175.26 174.12 3hrd s GLU 126 N -0.23 4.28 0.62 4.30 2.02 -1.26 -1.93 118.70 126.50 3hrd s GLU 126 Ca 0.17 2.17 0.07 0.00 0.02 0.00 0.00 54.97 57.40 3hrd s GLU 126 Cb -0.25 -3.25 0.10 0.00 0.10 0.00 0.00 34.13 30.84 3hrd s GLU 126 CO -0.01 -0.51 0.86 -0.51 0.02 0.00 0.00 175.26 175.11 3hrd s LEU 127 N 1.23 3.03 -0.05 1.80 1.43 0.77 -4.96 118.68 121.93 3hrd s LEU 127 Ca 0.67 -0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 3hrd s LEU 127 Cb -0.39 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3hrd s LEU 127 CO 0.30 -1.52 1.29 -0.70 0.23 0.00 0.00 176.35 175.96 3hrd s GLU 128 N -4.80 4.31 -0.15 1.70 2.12 -1.26 -4.66 118.70 115.95 3hrd s GLU 128 Ca 0.64 1.79 -0.28 0.00 0.36 0.00 0.00 54.97 57.48 3hrd s GLU 128 Cb -0.05 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 3hrd s GLU 128 CO 0.41 -0.54 0.94 0.20 -0.54 0.00 0.00 175.26 175.73 3hrd s GLY 129 N 1.75 2.15 -0.24 -1.50 0.00 -1.26 -4.83 107.32 103.38 3hrd s GLY 129 Ca 0.59 0.21 -0.14 0.00 0.00 0.00 0.00 44.72 45.38 3hrd s GLY 129 CO 0.23 1.86 0.30 -0.42 0.00 0.00 0.00 173.10 175.07 3hrd s ILE 130 N 2.26 5.25 0.00 0.90 1.01 -1.26 -4.94 121.20 124.41 3hrd s ILE 130 Ca 0.44 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3hrd s ILE 130 Cb -0.17 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3hrd s ILE 130 CO 0.14 0.25 0.45 0.49 0.00 0.00 0.00 174.94 176.26 3hrd n PHE 131 N 4.72 0.00 -4.42 3.97 3.72 -1.26 0.04 117.46 124.23 3hrd n PHE 131 Ca -0.11 -0.07 -0.22 0.00 -0.05 0.00 0.00 57.45 57.01 3hrd n PHE 131 Cb 0.51 -0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 38.91 3hrd n PHE 131 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3hrd s THR 132 N -0.13 1.29 0.29 4.37 -4.23 -1.26 -4.95 115.64 111.02 3hrd s THR 132 Ca 0.00 -1.09 0.18 0.00 -1.18 0.00 0.00 61.69 59.60 3hrd s THR 132 Cb 0.00 -1.16 0.14 0.00 1.34 0.00 0.00 72.50 72.82 3hrd s THR 132 CO 0.00 0.05 1.82 0.24 -0.54 0.00 0.00 174.62 176.19 3hrd h MET 133 N 4.85 0.00 -0.11 3.99 2.86 -1.96 -2.04 114.93 122.52 3hrd h MET 133 Ca -0.40 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3hrd h MET 133 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3hrd h MET 133 CO 0.43 0.34 0.06 0.93 1.06 0.00 0.00 176.91 179.73 3hrd h GLU 134 N 0.00 0.16 -0.23 1.72 3.07 -1.99 -1.39 114.58 115.92 3hrd h GLU 134 Ca -0.00 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 3hrd h GLU 134 Cb 0.73 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 3hrd h GLU 134 CO 0.04 0.21 -0.38 -0.09 -1.40 0.00 0.00 179.01 177.40 3hrd h ARG 135 N 0.07 0.51 -0.85 2.33 9.65 -1.92 -2.95 114.38 121.22 3hrd h ARG 135 Ca 0.04 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 3hrd h ARG 135 Cb 0.10 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 3hrd h ARG 135 CO -0.01 0.81 0.51 0.00 2.80 0.00 0.00 179.97 184.08 3hrd h ALA 136 N 1.17 1.29 0.00 2.80 0.00 -1.10 -2.25 119.26 121.16 3hrd h ALA 136 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hrd h ALA 136 Cb 0.85 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hrd h ALA 136 CO 0.07 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.86 3hrd h LEU 137 N 1.18 0.00 -9.13 0.00 3.38 -1.10 -3.40 115.31 106.24 3hrd h LEU 137 Ca 0.31 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.72 3hrd h LEU 137 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hrd h LEU 137 CO -0.06 0.00 1.10 -1.61 0.09 0.00 0.00 178.44 177.97 3hrd s GLU 138 N -3.30 3.96 0.23 1.13 2.02 -0.85 -4.86 118.70 117.03 3hrd s GLU 138 Ca 0.06 1.87 0.18 0.00 0.02 0.00 0.00 54.97 57.11 3hrd s GLU 138 Cb 0.09 -4.00 0.90 0.00 0.10 0.00 0.00 34.13 31.22 3hrd s GLU 138 CO 0.55 -1.10 1.56 -1.91 0.02 0.00 0.00 175.26 174.38 3hrd n GLU 139 N 7.40 0.12 0.00 1.61 4.07 -1.26 -1.02 120.64 131.56 3hrd n GLU 139 Ca 0.18 0.54 0.13 0.00 -0.06 0.00 0.00 57.16 57.95 3hrd n GLU 139 Cb 0.44 -1.83 0.42 0.00 -0.06 0.00 0.00 31.44 30.41 3hrd n GLU 139 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3hrd n ASP 140 N -2.08 0.38 -4.78 4.31 3.85 -1.26 -4.86 116.55 112.11 3hrd n ASP 140 Ca 0.00 -0.12 -0.36 0.00 -0.71 0.00 0.00 54.79 53.60 3hrd n ASP 140 Cb 0.09 -0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 39.80 3hrd n ASP 140 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3hrd s SER 141 N -2.89 6.48 0.49 -1.12 1.04 -0.19 -4.97 113.70 112.54 3hrd s SER 141 Ca 0.15 2.13 -0.23 0.00 0.48 0.00 0.00 55.95 58.49 3hrd s SER 141 Cb 0.18 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.64 3hrd s SER 141 CO 0.60 -0.69 1.25 -0.81 0.98 0.00 0.00 173.24 174.57 3hrd n PRO 142 N -0.33 1.68 -3.10 4.02 -0.04 -1.26 -4.94 135.00 131.03 3hrd n PRO 142 Ca 0.06 0.61 -0.42 0.00 -0.04 0.00 0.00 63.50 63.72 3hrd n PRO 142 Cb 0.49 -2.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.48 3hrd n PRO 142 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hrd s ALA 143 N -1.28 3.45 0.35 0.55 0.00 -1.26 -4.84 121.76 118.73 3hrd s ALA 143 Ca 0.67 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3hrd s ALA 143 Cb -0.46 -3.19 0.63 0.00 0.00 0.00 0.00 23.12 20.10 3hrd s ALA 143 CO 0.53 -1.35 1.93 0.82 0.00 0.00 0.00 175.76 177.68 3hrd h ILE 144 N 5.68 1.18 -3.76 0.00 2.04 -1.92 -3.42 117.51 117.31 3hrd h ILE 144 Ca -0.26 -0.60 -0.27 0.00 1.00 0.00 0.00 64.86 64.73 3hrd h ILE 144 Cb 1.11 0.71 -0.29 0.00 -0.74 0.00 0.00 36.82 37.62 3hrd h ILE 144 CO 0.84 0.22 -0.73 -1.00 0.00 0.00 0.00 178.15 177.48 3hrd s HIS 145 N -5.22 0.16 0.00 1.37 3.76 -1.26 -5.03 115.29 109.07 3hrd s HIS 145 Ca -0.08 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 3hrd s HIS 145 Cb 0.16 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.73 3hrd s HIS 145 CO 0.76 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 175.05 3hrd n GLY 146 N 3.15 3.13 0.37 -2.22 0.00 -1.26 -3.51 105.19 104.85 3hrd n GLY 146 Ca -0.14 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3hrd n GLY 146 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hrd n ASP 147 N 2.96 2.12 -3.65 1.61 5.68 -1.26 -4.75 116.55 119.26 3hrd n ASP 147 Ca 0.00 -1.65 -0.11 0.00 -0.50 0.00 0.00 54.79 52.53 3hrd n ASP 147 Cb 0.00 -0.08 -0.05 0.00 -1.14 0.00 0.00 41.12 39.85 3hrd n ASP 147 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3hrd s THR 148 N -0.81 0.07 -2.77 2.12 -1.32 -1.23 -4.88 115.64 106.82 3hrd s THR 148 Ca 0.12 -0.57 0.24 0.00 -1.21 0.00 0.00 61.69 60.27 3hrd s THR 148 Cb 0.07 -1.12 0.31 0.00 -1.51 0.00 0.00 72.50 70.25 3hrd s THR 148 CO 0.10 -0.32 1.38 0.59 -2.21 0.00 0.00 174.62 174.17 3hrd n ASN 149 N -0.03 2.79 -4.66 8.08 3.02 -1.26 -4.48 115.26 118.71 3hrd n ASN 149 Ca -0.17 -1.90 -0.43 0.00 -0.03 0.00 0.00 54.58 52.05 3hrd n ASN 149 Cb 0.63 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.72 3hrd n ASN 149 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hrd s ILE 150 N -1.88 4.52 -0.21 2.41 1.01 -1.26 0.28 121.20 126.07 3hrd s ILE 150 Ca 0.32 1.84 -0.18 0.00 0.00 0.00 0.00 60.65 62.63 3hrd s ILE 150 Cb 0.21 -4.19 -0.19 0.00 0.01 0.00 0.00 42.46 38.30 3hrd s ILE 150 CO 0.31 -0.16 0.12 1.57 0.00 0.00 0.00 174.94 176.78 3hrd n HIS 151 N 6.39 0.85 -3.86 3.97 -0.00 0.15 -4.87 115.22 117.85 3hrd n HIS 151 Ca 0.13 0.34 -0.11 0.00 -0.00 0.00 0.00 57.72 58.08 3hrd n HIS 151 Cb 0.46 -1.09 -0.09 0.00 -0.00 0.00 0.00 29.99 29.27 3hrd n HIS 151 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3hrd s GLN 152 N -2.41 0.59 -0.06 1.57 -1.52 -0.88 -5.00 119.66 111.95 3hrd s GLN 152 Ca -0.30 -0.53 -0.05 0.00 -1.95 0.00 0.00 55.36 52.53 3hrd s GLN 152 Cb 0.08 0.24 0.02 0.00 -0.22 0.00 0.00 33.01 33.13 3hrd s GLN 152 CO 0.59 -0.16 0.16 0.08 -0.25 0.00 0.00 175.29 175.72 3hrd s VAL 153 N -2.01 -0.01 0.03 1.09 1.01 -1.26 -1.46 120.40 117.79 3hrd s VAL 153 Ca -0.10 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 3hrd s VAL 153 Cb -0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3hrd s VAL 153 CO -0.01 0.02 -0.03 -0.54 0.00 0.00 0.00 175.10 174.53 3hrd s LYS 154 N 0.40 0.41 -0.10 2.72 -0.14 -0.63 -5.01 119.74 117.38 3hrd s LYS 154 Ca -0.03 -0.78 -0.04 0.00 -1.36 0.00 0.00 55.97 53.76 3hrd s LYS 154 Cb -0.04 0.09 0.05 0.00 -1.68 0.00 0.00 37.83 36.26 3hrd s LYS 154 CO -0.02 -0.06 0.21 -1.58 -0.76 0.00 0.00 175.35 173.15 3hrd s HIS 155 N -2.07 -0.30 -0.20 3.18 5.65 -1.25 -1.92 115.29 118.36 3hrd s HIS 155 Ca -0.10 0.77 -0.03 0.00 0.25 0.00 0.00 55.06 55.96 3hrd s HIS 155 Cb -0.05 -0.10 -0.01 0.00 -1.18 0.00 0.00 32.58 31.23 3hrd s HIS 155 CO -0.03 -0.29 -0.05 -1.17 -0.65 0.00 0.00 174.74 172.55 3hrd s LEU 156 N 2.06 2.89 -0.17 8.88 0.20 0.19 -4.95 118.68 127.79 3hrd s LEU 156 Ca -0.01 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.45 3hrd s LEU 156 Cb -0.12 -1.73 0.03 0.00 -0.43 0.00 0.00 46.19 43.95 3hrd s LEU 156 CO -0.07 0.02 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.16 3hrd s GLU 157 N 1.26 2.34 -0.03 1.98 2.56 -1.26 -0.02 118.70 125.53 3hrd s GLU 157 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 54.97 54.30 3hrd s GLU 157 Cb -0.14 -2.31 0.02 0.00 2.00 0.00 0.00 34.13 33.70 3hrd s GLU 157 CO -0.02 -0.30 -0.05 -0.47 -0.56 0.00 0.00 175.26 173.86 3hrd s TYR 158 N 1.41 0.68 0.00 5.30 5.04 0.85 -5.01 117.35 125.62 3hrd s TYR 158 Ca 0.03 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 3hrd s TYR 158 Cb -0.14 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.60 3hrd s TYR 158 CO -0.10 -0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 3hrd n GLY 159 N 3.74 2.93 2.78 8.97 0.00 -1.26 -1.55 105.19 120.80 3hrd n GLY 159 Ca -0.23 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 3hrd n GLY 159 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hrd s ASP 160 N -4.00 1.22 0.39 1.61 -1.08 -1.26 -4.90 116.67 108.64 3hrd s ASP 160 Ca 0.00 -1.21 0.11 0.00 -0.52 0.00 0.00 52.55 50.93 3hrd s ASP 160 Cb 0.00 0.61 0.78 0.00 -1.46 0.00 0.00 42.92 42.85 3hrd s ASP 160 CO 0.00 -0.31 1.89 -0.37 0.52 0.00 0.00 175.17 176.90 3hrd h VAL 161 N 5.53 1.20 -0.57 1.11 -1.51 -1.87 -1.34 116.25 118.82 3hrd h VAL 161 Ca -0.02 -0.94 -0.01 0.00 -1.23 0.00 0.00 66.70 64.50 3hrd h VAL 161 Cb 1.07 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 3hrd h VAL 161 CO 0.25 0.28 0.32 0.44 -1.23 0.00 0.00 177.57 177.62 3hrd h ASP 162 N 0.12 0.70 -0.14 4.19 3.32 -1.98 -1.26 116.42 121.36 3hrd h ASP 162 Ca 0.02 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 3hrd h ASP 162 Cb 0.48 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3hrd h ASP 162 CO 0.03 0.59 -0.45 0.00 -1.72 0.00 0.00 179.24 177.69 3hrd h ALA 163 N 1.15 0.24 0.16 3.45 0.00 -1.96 -3.35 119.26 118.95 3hrd h ALA 163 Ca 0.20 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3hrd h ALA 163 Cb 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hrd h ALA 163 CO -0.03 0.38 -0.24 0.00 0.00 0.00 0.00 179.25 179.36 3hrd h ALA 164 N 0.53 -0.43 -0.84 0.00 0.00 -1.04 -2.53 119.26 114.93 3hrd h ALA 164 Ca -0.02 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.09 3hrd h ALA 164 Cb 1.07 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 3hrd h ALA 164 CO 0.10 -0.78 0.65 0.74 0.00 0.00 0.00 179.25 179.96 3hrd h PHE 165 N -0.46 0.00 0.00 0.00 0.04 -1.36 0.38 116.94 115.54 3hrd h PHE 165 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3hrd h PHE 165 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 3hrd h PHE 165 CO -0.20 0.00 0.00 0.87 -0.60 0.00 0.00 178.31 178.38 3hrd h LYS 166 N 0.00 0.00 -0.11 1.51 1.57 -1.58 -2.86 116.57 115.10 3hrd h LYS 166 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3hrd h LYS 166 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.01 3hrd h LYS 166 CO -0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 3hrd n GLN 167 N -3.04 1.99 -3.21 3.15 1.13 0.13 -4.96 117.38 112.57 3hrd n GLN 167 Ca 0.02 -1.45 -0.34 0.00 -1.94 0.00 0.00 57.00 53.28 3hrd n GLN 167 Cb 0.36 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 3hrd n GLN 167 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hrd n ASP 169 N 0.30 0.69 -3.84 0.00 8.00 -0.51 -4.91 116.55 116.29 3hrd n ASP 169 Ca -0.01 0.29 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 3hrd n ASP 169 Cb 0.52 0.52 -0.13 0.00 -0.02 0.00 0.00 41.12 42.00 3hrd n ASP 169 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hrd s ILE 170 N -3.08 -0.00 -0.05 0.53 1.10 -0.52 -4.93 121.20 114.25 3hrd s ILE 170 Ca -0.03 0.01 -0.02 0.00 -0.51 0.00 0.00 60.65 60.09 3hrd s ILE 170 Cb 0.09 -0.13 0.03 0.00 0.15 0.00 0.00 42.46 42.60 3hrd s ILE 170 CO 0.82 0.00 0.08 -0.69 -2.11 0.00 0.00 174.94 173.04 3hrd s VAL 171 N 0.11 -0.13 -0.12 4.00 1.01 -1.26 -0.97 120.40 123.03 3hrd s VAL 171 Ca -0.00 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 3hrd s VAL 171 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 3hrd s VAL 171 CO -0.00 0.17 -0.01 0.68 0.00 0.00 0.00 175.10 175.94 3hrd s VAL 172 N 2.17 4.20 -0.04 2.92 -7.23 -0.33 -4.94 120.40 117.15 3hrd s VAL 172 Ca 0.04 -0.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.95 3hrd s VAL 172 Cb -0.12 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.04 3hrd s VAL 172 CO -0.03 0.55 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.57 3hrd s GLU 173 N -0.35 0.78 0.09 4.82 2.12 -1.26 -0.69 118.70 124.21 3hrd s GLU 173 Ca 0.07 -0.09 -0.23 0.00 0.36 0.00 0.00 54.97 55.07 3hrd s GLU 173 Cb -0.12 -0.80 0.06 0.00 0.26 0.00 0.00 34.13 33.53 3hrd s GLU 173 CO 0.02 -0.08 0.55 -0.51 -0.54 0.00 0.00 175.26 174.71 3hrd s ASP 174 N 0.90 -0.49 -0.19 -1.70 1.01 -0.56 -5.01 116.67 110.62 3hrd s ASP 174 Ca -0.11 0.12 -0.07 0.00 0.71 0.00 0.00 52.55 53.20 3hrd s ASP 174 Cb -0.14 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.29 3hrd s ASP 174 CO 0.00 -0.81 0.04 -0.89 0.21 0.00 0.00 175.17 173.72 3hrd s THR 175 N -2.93 4.48 0.18 -1.27 2.01 -1.26 -1.22 115.64 115.63 3hrd s THR 175 Ca -0.03 -0.14 0.09 0.00 0.31 0.00 0.00 61.69 61.93 3hrd s THR 175 Cb -0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 3hrd s THR 175 CO -0.06 0.44 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.88 3hrd s TYR 176 N 0.65 2.57 -0.11 4.92 2.02 0.13 -4.94 117.35 122.60 3hrd s TYR 176 Ca 0.02 -0.25 -0.25 0.00 -0.37 0.00 0.00 57.07 56.23 3hrd s TYR 176 Cb -0.13 -1.26 0.06 0.00 -0.40 0.00 0.00 41.96 40.23 3hrd s TYR 176 CO 0.02 0.51 0.59 -1.54 -1.57 0.00 0.00 175.55 173.56 3hrd s SER 177 N -2.81 -0.56 0.31 2.29 1.04 -1.26 0.19 113.70 112.89 3hrd s SER 177 Ca 0.24 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.53 3hrd s SER 177 Cb -0.09 0.74 -0.06 0.00 0.10 0.00 0.00 66.02 66.71 3hrd s SER 177 CO 0.14 -0.44 -0.08 0.42 0.98 0.00 0.00 173.24 174.26 3hrd s THR 178 N -0.69 1.99 0.00 2.02 -4.23 0.09 -4.98 115.64 109.83 3hrd s THR 178 Ca -0.08 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 3hrd s THR 178 Cb -0.02 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.26 3hrd s THR 178 CO 0.06 -0.25 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 3hrd n HIS 179 N -0.70 -2.71 -3.70 3.99 1.44 -1.26 -3.06 115.22 109.23 3hrd n HIS 179 Ca -0.05 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.30 3hrd n HIS 179 Cb 0.63 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.66 3hrd n HIS 179 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3hrd s ARG 180 N -1.51 4.17 0.22 -1.40 3.52 -1.26 -4.00 118.95 118.69 3hrd s ARG 180 Ca 0.00 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.44 3hrd s ARG 180 Cb 0.00 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 3hrd s ARG 180 CO 0.00 0.24 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.18 3hrd s LEU 181 N 0.52 2.32 0.02 -0.88 1.02 -1.26 -4.95 118.68 115.48 3hrd s LEU 181 Ca 0.09 -1.17 0.08 0.00 0.02 0.00 0.00 54.13 53.15 3hrd s LEU 181 Cb -0.12 -0.37 -0.02 0.00 0.02 0.00 0.00 46.19 45.70 3hrd s LEU 181 CO -0.00 -0.43 -0.22 0.28 0.02 0.00 0.00 176.35 176.00 3hrd s THR 182 N -3.30 1.78 0.21 5.49 -1.32 -1.26 -1.84 115.64 115.39 3hrd s THR 182 Ca 0.26 -1.15 -0.09 0.00 -1.21 0.00 0.00 61.69 59.49 3hrd s THR 182 Cb 0.04 -1.52 0.15 0.00 -1.51 0.00 0.00 72.50 69.67 3hrd s THR 182 CO 0.08 0.33 1.73 0.45 -2.21 0.00 0.00 174.62 175.00 3hrd h HIS 183 N 5.08 0.34 -6.11 9.09 -0.00 -1.91 -3.47 115.15 118.18 3hrd h HIS 183 Ca -0.43 0.03 -0.42 0.00 -0.00 0.00 0.00 60.37 59.55 3hrd h HIS 183 Cb 1.15 -0.06 0.05 0.00 -0.00 0.00 0.00 27.41 28.54 3hrd h HIS 183 CO 0.46 0.06 -0.83 -0.12 -0.00 0.00 0.00 177.93 177.50 3hrd n MET 184 N -5.03 -4.86 -2.15 2.45 0.00 -1.26 -4.95 117.12 101.30 3hrd n MET 184 Ca 0.09 0.61 -0.36 0.00 0.00 0.00 0.00 57.70 58.04 3hrd n MET 184 Cb 0.29 -5.16 0.01 0.00 0.00 0.00 0.00 33.22 28.37 3hrd n MET 184 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 3hrd s PHE 185 N -3.67 2.56 0.23 1.12 -0.71 -1.26 -4.92 117.98 111.34 3hrd s PHE 185 Ca 0.02 1.53 0.21 0.00 -1.04 0.00 0.00 56.93 57.64 3hrd s PHE 185 Cb -0.01 -3.38 0.89 0.00 -1.21 0.00 0.00 43.02 39.31 3hrd s PHE 185 CO 0.82 -1.85 1.83 0.82 -1.34 0.00 0.00 175.22 175.49 3hrd h ILE 186 N 1.13 0.79 -3.61 -4.49 1.08 -1.91 -3.41 117.51 107.09 3hrd h ILE 186 Ca -0.50 -1.21 -0.65 0.00 -0.39 0.00 0.00 64.86 62.11 3hrd h ILE 186 Cb 1.28 1.75 -0.15 0.00 -3.07 0.00 0.00 36.82 36.62 3hrd h ILE 186 CO 0.56 0.29 -0.07 -0.70 -0.69 0.00 0.00 178.15 177.54 3hrd s GLU 187 N -3.80 3.65 0.69 2.37 2.12 -1.21 -5.06 118.70 117.46 3hrd s GLU 187 Ca -0.01 -0.15 -0.16 0.00 0.36 0.00 0.00 54.97 55.01 3hrd s GLU 187 Cb 0.12 -3.80 0.02 0.00 0.26 0.00 0.00 34.13 30.73 3hrd s GLU 187 CO 0.66 -0.61 1.19 -2.14 -0.54 0.00 0.00 175.26 173.82 3hrd s PRO 188 N 2.35 2.40 0.24 4.30 0.02 -1.26 -4.85 135.00 138.19 3hrd s PRO 188 Ca 0.18 1.70 -0.31 0.00 0.02 0.00 0.00 61.00 62.59 3hrd s PRO 188 Cb -0.16 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 3hrd s PRO 188 CO 0.13 -1.62 1.26 -0.25 -0.33 0.00 0.00 177.00 176.18 3hrd n ASP 189 N -2.48 2.12 -3.61 2.53 8.00 -1.26 -4.79 116.55 117.05 3hrd n ASP 189 Ca 0.13 1.16 -0.16 0.00 0.71 0.00 0.00 54.79 56.63 3hrd n ASP 189 Cb 0.50 -1.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.18 3hrd n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hrd s ALA 190 N -0.39 -1.46 0.10 2.24 0.00 -1.26 -0.71 121.76 120.29 3hrd s ALA 190 Ca 0.66 1.15 -0.26 0.00 0.00 0.00 0.00 51.96 53.51 3hrd s ALA 190 Cb -0.70 -0.20 0.08 0.00 0.00 0.00 0.00 23.12 22.29 3hrd s ALA 190 CO 0.54 -0.32 0.86 0.20 0.00 0.00 0.00 175.76 177.03 3hrd s GLY 191 N -0.89 -0.38 -0.14 0.00 0.00 -0.16 -2.10 107.32 103.65 3hrd s GLY 191 Ca -0.09 0.53 -0.09 0.00 0.00 0.00 0.00 44.72 45.07 3hrd s GLY 191 CO 0.06 0.16 0.35 0.14 0.00 0.00 0.00 173.10 173.82 3hrd s VAL 192 N -3.34 -0.02 0.28 1.40 1.01 -0.35 -0.40 120.40 118.99 3hrd s VAL 192 Ca 0.07 0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.25 3hrd s VAL 192 Cb -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 3hrd s VAL 192 CO -0.05 0.03 -0.18 -0.94 0.00 0.00 0.00 175.10 173.96 3hrd s SER 193 N 1.06 3.55 -0.09 3.32 1.04 -0.58 -0.48 113.70 121.51 3hrd s SER 193 Ca -0.07 -1.05 -0.33 0.00 0.48 0.00 0.00 55.95 54.98 3hrd s SER 193 Cb -0.07 -0.30 0.14 0.00 0.10 0.00 0.00 66.02 65.89 3hrd s SER 193 CO -0.08 -0.00 1.35 -0.72 0.98 0.00 0.00 173.24 174.76 3hrd s TYR 194 N -2.55 -0.03 -0.20 5.02 1.13 -0.06 -0.76 117.35 119.91 3hrd s TYR 194 Ca 0.30 -0.02 -0.11 0.00 -1.41 0.00 0.00 57.07 55.83 3hrd s TYR 194 Cb -0.04 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.29 3hrd s TYR 194 CO 0.15 -0.14 0.18 0.71 -2.51 0.00 0.00 175.55 173.94 3hrd s TYR 195 N -2.23 3.41 0.60 -3.49 2.02 -1.26 0.57 117.35 116.96 3hrd s TYR 195 Ca 0.14 0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 57.12 3hrd s TYR 195 Cb 0.05 -2.23 0.14 0.00 -0.40 0.00 0.00 41.96 39.51 3hrd s TYR 195 CO -0.05 0.24 0.81 -0.40 -1.57 0.00 0.00 175.55 174.58 3hrd n ASP 196 N 3.67 0.04 -0.31 2.29 5.68 0.04 -4.81 116.55 123.17 3hrd n ASP 196 Ca -0.15 -1.29 0.20 0.00 -0.50 0.00 0.00 54.79 53.05 3hrd n ASP 196 Cb 0.52 -0.62 0.47 0.00 -1.14 0.00 0.00 41.12 40.35 3hrd n ASP 196 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3hrd h ASN 197 N -1.07 0.50 -0.43 -1.12 2.35 -1.98 0.12 115.58 113.94 3hrd h ASN 197 Ca -0.26 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3hrd h ASN 197 Cb 0.72 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3hrd h ASN 197 CO 0.18 0.15 0.00 -0.62 -1.65 0.00 0.00 177.43 175.49 3hrd n GLU 198 N -4.62 3.60 -1.00 0.81 4.71 -1.26 -4.91 120.64 117.98 3hrd n GLU 198 Ca 0.23 -2.23 0.00 0.00 -0.01 0.00 0.00 57.16 55.15 3hrd n GLU 198 Cb 0.77 -1.97 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3hrd n GLU 198 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hrd n GLY 199 N 0.58 0.59 3.65 0.62 0.00 0.41 -5.01 105.19 106.04 3hrd n GLY 199 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3hrd n GLY 199 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hrd s MET 200 N -0.06 4.15 0.06 1.61 0.00 -1.26 -4.65 119.30 119.15 3hrd s MET 200 Ca 0.00 1.60 -0.31 0.00 0.00 0.00 0.00 55.69 56.98 3hrd s MET 200 Cb 0.00 -3.80 -0.08 0.00 0.00 0.00 0.00 34.83 30.95 3hrd s MET 200 CO 0.00 -0.81 1.58 -1.17 0.00 0.00 0.00 175.02 174.62 3hrd s LEU 201 N 3.75 4.35 0.05 4.11 2.96 -1.26 -0.78 118.68 131.87 3hrd s LEU 201 Ca 0.56 2.40 0.03 0.00 -0.22 0.00 0.00 54.13 56.90 3hrd s LEU 201 Cb -0.21 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 3hrd s LEU 201 CO 0.17 -0.84 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.38 3hrd s THR 202 N 2.45 0.67 -0.11 3.68 2.01 0.19 -0.59 115.64 123.95 3hrd s THR 202 Ca 0.71 -1.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 3hrd s THR 202 Cb -0.38 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.36 3hrd s THR 202 CO 0.31 -0.41 0.06 -0.69 -0.69 0.00 0.00 174.62 173.21 3hrd s VAL 203 N -1.61 -0.00 -0.28 3.82 1.01 0.09 -0.88 120.40 122.56 3hrd s VAL 203 Ca -0.06 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 3hrd s VAL 203 Cb -0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 3hrd s VAL 203 CO 0.00 -0.03 0.35 -0.69 0.00 0.00 0.00 175.10 174.73 3hrd s VAL 204 N 2.11 5.19 0.07 2.92 1.01 0.37 -0.75 120.40 131.33 3hrd s VAL 204 Ca 0.03 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 3hrd s VAL 204 Cb -0.14 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 3hrd s VAL 204 CO -0.06 0.15 0.19 0.54 0.00 0.00 0.00 175.10 175.91 3hrd s VAL 205 N 2.03 0.13 -0.54 2.92 0.11 -0.46 -1.21 120.40 123.39 3hrd s VAL 205 Ca 0.14 -1.11 -0.26 0.00 -2.93 0.00 0.00 61.98 57.82 3hrd s VAL 205 Cb -0.16 -1.23 0.03 0.00 -1.53 0.00 0.00 36.38 33.50 3hrd s VAL 205 CO 0.10 -0.61 1.04 -0.55 -3.33 0.00 0.00 175.10 171.75 3hrd s SER 206 N -2.66 6.42 0.23 3.54 0.15 -0.89 -1.30 113.70 119.19 3hrd s SER 206 Ca 0.02 -0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.49 3hrd s SER 206 Cb 0.03 -2.49 -0.00 0.00 -1.71 0.00 0.00 66.02 61.85 3hrd s SER 206 CO -0.09 -1.29 0.44 0.28 1.20 0.00 0.00 173.24 173.78 3hrd s THR 207 N 4.29 0.01 -0.52 6.45 -1.32 -1.26 -4.79 115.64 118.50 3hrd s THR 207 Ca 0.37 -1.37 0.08 0.00 -1.21 0.00 0.00 61.69 59.56 3hrd s THR 207 Cb -0.10 -2.10 -0.04 0.00 -1.51 0.00 0.00 72.50 68.74 3hrd s THR 207 CO 0.23 -0.05 0.42 0.00 -2.21 0.00 0.00 174.62 173.01 3hrd n GLN 208 N -0.35 3.49 -2.94 7.08 6.02 -0.87 -4.85 117.38 124.96 3hrd n GLN 208 Ca -0.03 -0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 56.57 3hrd n GLN 208 Cb 0.62 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.96 3hrd n GLN 208 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3hrd n ASN 209 N -0.77 -1.51 -0.32 1.08 2.04 -1.26 -5.02 115.26 109.49 3hrd n ASN 209 Ca 0.02 -3.06 0.12 0.00 -0.44 0.00 0.00 54.58 51.22 3hrd n ASN 209 Cb 0.14 0.75 0.30 0.00 -2.53 0.00 0.00 39.78 38.44 3hrd n ASN 209 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 3hrd h PRO 210 N 3.93 0.58 -0.31 -0.53 0.13 -1.93 -1.34 132.00 132.52 3hrd h PRO 210 Ca -0.05 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 3hrd h PRO 210 Cb 0.97 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 3hrd h PRO 210 CO 0.38 0.38 -0.04 0.45 -0.23 0.00 0.00 178.00 178.95 3hrd h HIS 211 N 0.60 0.51 -0.05 1.56 3.86 -1.95 -0.46 115.15 119.22 3hrd h HIS 211 Ca 0.55 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.69 3hrd h HIS 211 Cb 0.93 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 3hrd h HIS 211 CO -0.06 0.53 -0.02 -0.92 0.86 0.00 0.00 177.93 178.31 3hrd h TYR 212 N 0.46 0.12 -0.82 2.45 3.20 -1.69 -2.95 116.97 117.73 3hrd h TYR 212 Ca 0.10 -0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.10 3hrd h TYR 212 Cb 0.36 -0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.50 3hrd h TYR 212 CO 0.01 0.48 0.36 -0.44 -1.64 0.00 0.00 178.16 176.94 3hrd h ASP 213 N -0.28 0.36 0.29 -2.11 3.32 -0.96 -2.16 116.42 114.88 3hrd h ASP 213 Ca 0.01 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3hrd h ASP 213 Cb 0.45 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3hrd h ASP 213 CO 0.01 0.11 -0.19 -0.09 -1.72 0.00 0.00 179.24 177.36 3hrd h ARG 214 N 0.48 -0.45 -0.95 3.56 2.43 -1.03 -1.51 114.38 116.91 3hrd h ARG 214 Ca 0.47 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.83 3hrd h ARG 214 Cb 0.75 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.32 3hrd h ARG 214 CO -0.43 -0.30 0.60 0.78 -1.51 0.00 0.00 179.97 179.11 3hrd h GLY 215 N -0.47 1.41 0.63 2.80 0.00 -1.23 0.97 103.07 107.19 3hrd h GLY 215 Ca -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3hrd h GLY 215 CO 0.02 0.06 -0.03 0.83 0.00 0.00 0.00 176.54 177.41 3hrd h GLU 216 N 0.75 0.11 -0.47 4.80 4.39 -1.13 -1.32 114.58 121.70 3hrd h GLU 216 Ca 0.50 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3hrd h GLU 216 Cb 0.77 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 3hrd h GLU 216 CO -0.26 0.51 0.31 0.28 -1.16 0.00 0.00 179.01 178.70 3hrd h VAL 217 N -0.29 1.12 -0.69 3.13 2.07 -0.49 -0.13 116.25 120.97 3hrd h VAL 217 Ca 0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3hrd h VAL 217 Cb 0.48 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3hrd h VAL 217 CO 0.01 0.12 0.40 0.00 0.02 0.00 0.00 177.57 178.11 3hrd h ALA 218 N 1.17 1.40 -0.08 1.67 0.00 -0.84 -0.78 119.26 121.80 3hrd h ALA 218 Ca 0.17 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3hrd h ALA 218 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3hrd h ALA 218 CO -0.04 0.51 -0.50 0.78 0.00 0.00 0.00 179.25 179.99 3hrd h GLY 219 N 1.00 0.23 0.74 0.00 0.00 -0.42 0.40 103.07 105.02 3hrd h GLY 219 Ca 0.25 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3hrd h GLY 219 CO -0.04 0.23 -0.28 1.98 0.00 0.00 0.00 176.54 178.42 3hrd h MET 220 N 0.17 0.38 -0.14 4.80 -1.53 -0.31 -1.78 114.93 116.53 3hrd h MET 220 Ca 0.01 -0.27 0.00 0.00 -3.44 0.00 0.00 59.70 56.00 3hrd h MET 220 Cb 0.95 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 32.04 3hrd h MET 220 CO 0.08 0.88 0.00 1.28 0.14 0.00 0.00 176.91 179.29 3hrd n LEU 221 N -4.44 1.21 -3.59 3.39 4.77 -0.37 0.15 117.00 118.13 3hrd n LEU 221 Ca -0.07 -0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 55.14 3hrd n LEU 221 Cb 0.47 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3hrd n LEU 221 CO 0.42 0.26 -0.05 0.00 -1.33 0.00 0.00 177.39 176.69 3hrd n ALA 222 N 0.04 -2.33 -2.51 -1.18 0.00 0.34 -4.70 120.51 110.17 3hrd n ALA 222 Ca 0.14 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 3hrd n ALA 222 Cb 0.24 -3.69 -0.11 0.00 0.00 0.00 0.00 19.45 15.89 3hrd n ALA 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hrd s LEU 223 N -6.29 2.39 0.57 0.00 1.43 0.11 -5.02 118.68 111.87 3hrd s LEU 223 Ca 0.29 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 3hrd s LEU 223 Cb -0.08 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.55 3hrd s LEU 223 CO 0.81 -0.14 1.07 -2.16 0.23 0.00 0.00 176.35 176.17 3hrd s PRO 224 N -2.60 3.36 0.46 1.29 0.04 -1.26 -4.45 135.00 131.84 3hrd s PRO 224 Ca 0.08 1.34 0.16 0.00 0.04 0.00 0.00 61.00 62.62 3hrd s PRO 224 Cb -0.05 -2.03 1.11 0.00 0.04 0.00 0.00 34.50 33.56 3hrd s PRO 224 CO 0.03 -0.79 1.99 -0.91 0.04 0.00 0.00 177.00 177.36 3hrd h ASN 225 N 0.79 0.28 0.52 6.66 2.35 -1.93 -0.52 115.58 123.73 3hrd h ASN 225 Ca -0.48 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3hrd h ASN 225 Cb 1.23 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3hrd h ASN 225 CO 0.57 0.17 0.00 -1.54 -1.65 0.00 0.00 177.43 174.98 3hrd n SER 226 N -4.46 0.00 -1.03 5.81 3.41 -1.26 -2.65 113.62 113.44 3hrd n SER 226 Ca 0.09 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.25 3hrd n SER 226 Cb 0.40 -0.49 0.26 0.00 -0.26 0.00 0.00 64.21 64.13 3hrd n SER 226 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hrd n LYS 227 N -1.49 3.23 -3.80 4.33 4.76 -0.20 -4.87 118.16 120.12 3hrd n LYS 227 Ca 0.04 -2.70 -0.26 0.00 -2.87 0.00 0.00 58.31 52.52 3hrd n LYS 227 Cb 0.18 -1.76 -0.17 0.00 -1.84 0.00 0.00 35.03 31.44 3hrd n LYS 227 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hrd s VAL 228 N -2.26 0.62 -0.25 -0.18 1.01 -1.08 -4.11 120.40 114.14 3hrd s VAL 228 Ca 0.40 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 3hrd s VAL 228 Cb 0.30 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 3hrd s VAL 228 CO 0.13 0.11 0.15 -0.60 0.00 0.00 0.00 175.10 174.89 3hrd s ARG 229 N 1.85 4.00 -0.19 2.72 3.52 0.24 -4.95 118.95 126.14 3hrd s ARG 229 Ca 0.02 -0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 3hrd s ARG 229 Cb -0.14 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 3hrd s ARG 229 CO -0.07 -0.00 -0.08 0.42 -0.81 0.00 0.00 175.30 174.76 3hrd s ILE 230 N 1.22 3.22 -0.23 4.11 -1.09 -1.26 -0.73 121.20 126.44 3hrd s ILE 230 Ca 0.07 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 3hrd s ILE 230 Cb -0.14 -2.42 0.02 0.00 -1.58 0.00 0.00 42.46 38.34 3hrd s ILE 230 CO 0.06 0.47 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.51 3hrd s ILE 231 N 1.06 2.66 -0.35 2.92 1.01 0.07 -4.92 121.20 123.66 3hrd s ILE 231 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 3hrd s ILE 231 Cb -0.15 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3hrd s ILE 231 CO -0.01 0.28 1.29 -1.58 0.00 0.00 0.00 174.94 174.92 3hrd s GLN 232 N 1.31 3.82 0.88 2.79 0.74 -1.26 -1.35 119.66 126.58 3hrd s GLN 232 Ca 0.01 1.07 -0.12 0.00 0.05 0.00 0.00 55.36 56.37 3hrd s GLN 232 Cb -0.16 -3.91 0.12 0.00 1.10 0.00 0.00 33.01 30.16 3hrd s GLN 232 CO -0.06 -1.25 1.14 0.00 -0.55 0.00 0.00 175.29 174.57 3hrd s ALA 233 N 4.60 2.00 -0.05 1.58 0.00 -0.42 -4.89 121.76 124.58 3hrd s ALA 233 Ca 0.56 -0.50 -0.34 0.00 0.00 0.00 0.00 51.96 51.68 3hrd s ALA 233 Cb -0.14 -3.03 -0.12 0.00 0.00 0.00 0.00 23.12 19.82 3hrd s ALA 233 CO 0.26 -2.09 1.81 2.41 0.00 0.00 0.00 175.76 178.15 3hrd n THR 234 N -3.63 0.45 -3.83 0.00 -1.04 -1.18 -4.75 114.28 100.29 3hrd n THR 234 Ca 0.07 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.05 61.64 3hrd n THR 234 Cb 0.59 -1.76 -0.11 0.00 -1.82 0.00 0.00 70.33 67.23 3hrd n THR 234 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hrd s THR 235 N 3.37 4.74 -0.11 12.58 2.01 -1.26 -4.16 115.64 132.81 3hrd s THR 235 Ca 0.90 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.80 3hrd s THR 235 Cb -0.71 -3.19 -0.23 0.00 0.01 0.00 0.00 72.50 68.38 3hrd s THR 235 CO 0.49 0.38 3.53 0.61 -0.69 0.00 0.00 174.62 178.94 3hrd n GLY 236 N 4.32 3.17 0.00 4.40 0.00 -1.26 -4.90 105.19 110.92 3hrd n GLY 236 Ca -0.16 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3hrd n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrd n GLY 237 N 2.41 -1.11 2.02 -0.02 0.00 -1.26 -3.29 105.19 103.94 3hrd n GLY 237 Ca 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3hrd n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrd n GLY 238 N -0.41 -0.35 2.55 -0.02 0.00 -1.26 -4.86 105.19 100.85 3hrd n GLY 238 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3hrd n GLY 238 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hrd n PHE 239 N -2.98 -0.12 0.00 1.61 3.72 -1.26 -1.41 117.46 117.01 3hrd n PHE 239 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3hrd n PHE 239 Cb 0.00 -3.49 0.00 0.00 -0.94 0.00 0.00 39.48 35.05 3hrd n PHE 239 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hrd n GLY 240 N -0.44 2.73 0.00 1.37 0.00 -1.26 -1.52 105.19 106.06 3hrd n GLY 240 Ca -0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3hrd n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrd n GLY 241 N -0.88 -1.06 1.02 -0.02 0.00 -0.50 -3.22 105.19 100.53 3hrd n GLY 241 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 3hrd n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hrd n LYS 242 N -1.37 1.87 -0.04 1.61 5.02 -1.26 -4.53 118.16 119.46 3hrd n LYS 242 Ca 0.08 -3.32 -0.21 0.00 -2.02 0.00 0.00 58.31 52.84 3hrd n LYS 242 Cb 0.19 -1.78 -0.13 0.00 -0.02 0.00 0.00 35.03 33.29 3hrd n LYS 242 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hrd n LEU 243 N -1.09 2.51 -4.78 -0.35 4.77 -1.20 -2.05 117.00 114.81 3hrd n LEU 243 Ca 0.29 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.15 3hrd n LEU 243 Cb 0.89 -1.05 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3hrd n LEU 243 CO 0.12 0.75 0.73 -1.81 -1.33 0.00 0.00 177.39 175.85 3hrd s ASP 244 N -6.96 5.24 0.29 -1.43 1.01 -1.26 -4.84 116.67 108.72 3hrd s ASP 244 Ca -0.26 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 54.59 3hrd s ASP 244 Cb 0.07 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.36 3hrd s ASP 244 CO 0.70 -1.54 1.51 -0.76 0.21 0.00 0.00 175.17 175.28 3hrd s LEU 245 N -4.97 4.36 0.00 1.23 1.43 -1.26 -4.95 118.68 114.52 3hrd s LEU 245 Ca 0.64 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.58 3hrd s LEU 245 Cb -0.18 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3hrd s LEU 245 CO 0.43 -0.81 0.00 -1.54 0.23 0.00 0.00 176.35 174.67 3hrd n SER 246 N 1.95 0.00 -0.07 2.29 3.41 -1.26 -4.96 113.62 114.99 3hrd n SER 246 Ca 0.06 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.75 3hrd n SER 246 Cb 0.39 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 3hrd n SER 246 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hrd n VAL 247 N -0.32 0.00 -0.25 -3.33 0.24 -1.26 -4.72 118.33 108.69 3hrd n VAL 247 Ca 0.00 -0.16 -0.05 0.00 -2.04 0.00 0.00 64.34 62.10 3hrd n VAL 247 Cb 0.00 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 33.41 3hrd n VAL 247 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3hrd h GLN 248 N 0.33 -0.12 -0.09 7.34 7.50 -1.96 -0.89 115.11 127.21 3hrd h GLN 248 Ca 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.10 3hrd h GLN 248 Cb 0.41 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.97 3hrd h GLN 248 CO 0.00 -0.08 -0.15 0.00 -1.50 0.00 0.00 178.83 177.10 3hrd h HIS 250 N -0.18 0.66 0.35 0.00 3.86 -1.81 0.21 115.15 118.25 3hrd h HIS 250 Ca 0.01 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3hrd h HIS 250 Cb 0.72 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3hrd h HIS 250 CO 0.10 0.30 -0.17 0.00 0.86 0.00 0.00 177.93 179.02 3hrd h ALA 252 N -0.13 1.17 -0.68 0.00 0.00 -0.86 0.14 119.26 118.90 3hrd h ALA 252 Ca -0.05 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hrd h ALA 252 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3hrd h ALA 252 CO 0.08 -0.00 0.32 1.25 0.00 0.00 0.00 179.25 180.89 3hrd h LEU 253 N 0.69 0.89 -1.04 0.00 5.85 -0.54 0.27 115.31 121.44 3hrd h LEU 253 Ca 0.41 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 3hrd h LEU 253 Cb 0.47 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hrd h LEU 253 CO -0.30 0.78 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.09 3hrd h LEU 254 N 0.94 0.00 0.09 2.25 3.38 -0.58 -2.44 115.31 118.96 3hrd h LEU 254 Ca 0.23 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 3hrd h LEU 254 Cb 0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.91 3hrd h LEU 254 CO -0.03 0.43 -1.23 0.74 0.09 0.00 0.00 178.44 178.44 3hrd h THR 255 N 0.00 1.34 -0.96 0.22 2.02 -0.50 -1.09 112.91 113.94 3hrd h THR 255 Ca -0.00 -2.59 0.04 0.00 0.77 0.00 0.00 66.41 64.62 3hrd h THR 255 Cb 0.85 2.74 -0.06 0.00 -1.74 0.00 0.00 68.15 69.95 3hrd h THR 255 CO 0.06 0.78 0.63 0.22 0.37 0.00 0.00 175.52 177.58 3hrd h TYR 256 N 0.22 1.17 0.17 3.16 3.20 -0.29 0.95 116.97 125.56 3hrd h TYR 256 Ca -0.17 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 61.41 3hrd h TYR 256 Cb 1.91 -0.39 0.01 0.00 1.54 0.00 0.00 36.73 39.80 3hrd h TYR 256 CO 0.10 0.68 -1.54 0.45 -1.64 0.00 0.00 178.16 176.21 3hrd h HIS 257 N 1.21 0.65 0.00 -3.82 3.86 -1.45 -3.36 115.15 112.24 3hrd h HIS 257 Ca 0.38 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3hrd h HIS 257 Cb 0.01 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3hrd h HIS 257 CO -0.00 1.48 -1.28 0.25 0.86 0.00 0.00 177.93 179.24 3hrd n THR 258 N -3.56 0.29 -0.89 2.45 -2.24 -0.42 -4.95 114.28 104.97 3hrd n THR 258 Ca -0.17 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3hrd n THR 258 Cb 1.06 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3hrd n THR 258 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hrd n LYS 259 N -2.30 -0.74 -3.85 -0.78 5.02 0.33 -4.98 118.16 110.86 3hrd n LYS 259 Ca -0.00 0.19 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 3hrd n LYS 259 Cb 0.51 -4.01 -0.04 0.00 -0.02 0.00 0.00 35.03 31.47 3hrd n LYS 259 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hrd s LYS 260 N -0.97 2.60 0.34 1.97 1.02 -1.25 -4.72 119.74 118.73 3hrd s LYS 260 Ca 0.00 -1.40 -0.28 0.00 0.02 0.00 0.00 55.97 54.31 3hrd s LYS 260 Cb 0.00 -2.38 -0.10 0.00 -0.52 0.00 0.00 37.83 34.84 3hrd s LYS 260 CO 0.00 0.05 1.24 -2.14 -0.92 0.00 0.00 175.35 173.59 3hrd s PRO 261 N -3.98 4.34 -0.16 -1.68 0.02 -1.26 -4.44 135.00 127.85 3hrd s PRO 261 Ca 0.41 2.07 -0.00 0.00 0.02 0.00 0.00 61.00 63.50 3hrd s PRO 261 Cb -0.04 -3.01 0.04 0.00 0.02 0.00 0.00 34.50 31.50 3hrd s PRO 261 CO 0.26 -0.15 -0.07 0.08 -0.33 0.00 0.00 177.00 176.78 3hrd s VAL 262 N -1.19 1.21 -0.15 3.83 1.01 0.06 0.36 120.40 125.53 3hrd s VAL 262 Ca 0.50 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 3hrd s VAL 262 Cb -0.37 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3hrd s VAL 262 CO 0.48 0.23 0.05 -0.75 0.00 0.00 0.00 175.10 175.11 3hrd s LYS 263 N 1.61 3.63 -0.15 2.72 2.20 0.27 -1.53 119.74 128.48 3hrd s LYS 263 Ca 0.02 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.27 3hrd s LYS 263 Cb -0.14 -3.08 0.05 0.00 -1.51 0.00 0.00 37.83 33.14 3hrd s LYS 263 CO -0.08 0.46 0.03 1.41 -0.36 0.00 0.00 175.35 176.80 3hrd s MET 264 N -0.16 0.61 -0.17 4.03 1.75 0.46 -0.79 119.30 125.03 3hrd s MET 264 Ca 0.07 -0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.28 3hrd s MET 264 Cb -0.12 -1.74 0.01 0.00 2.84 0.00 0.00 34.83 35.82 3hrd s MET 264 CO 0.01 -0.53 -0.17 0.08 -0.65 0.00 0.00 175.02 173.76 3hrd s VAL 265 N 1.91 2.39 0.27 10.11 1.01 -1.26 -0.99 120.40 133.84 3hrd s VAL 265 Ca 0.01 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 3hrd s VAL 265 Cb -0.15 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 3hrd s VAL 265 CO -0.07 0.52 0.79 -0.13 0.00 0.00 0.00 175.10 176.21 3hrd s ARG 266 N 1.09 4.28 0.63 2.72 0.52 0.12 -5.01 118.95 123.29 3hrd s ARG 266 Ca -0.00 0.95 -0.15 0.00 -0.52 0.00 0.00 55.73 56.01 3hrd s ARG 266 Cb -0.14 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 3hrd s ARG 266 CO -0.06 0.30 1.07 -1.54 0.02 0.00 0.00 175.30 175.09 3hrd s SER 267 N -1.78 5.55 0.24 0.23 1.04 -1.26 -4.60 113.70 113.11 3hrd s SER 267 Ca 0.48 1.82 -0.05 0.00 0.48 0.00 0.00 55.95 58.68 3hrd s SER 267 Cb -0.15 -2.53 0.41 0.00 0.10 0.00 0.00 66.02 63.85 3hrd s SER 267 CO 0.20 -1.33 1.76 -0.09 0.98 0.00 0.00 173.24 174.77 3hrd h ARG 268 N 0.14 0.55 0.31 4.02 9.65 -1.97 -0.73 114.38 126.35 3hrd h ARG 268 Ca -0.46 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3hrd h ARG 268 Cb 1.22 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.65 3hrd h ARG 268 CO 0.56 0.37 -0.38 1.49 2.80 0.00 0.00 179.97 184.81 3hrd h GLU 269 N 0.57 -0.71 -0.69 0.20 4.81 -2.00 -0.65 114.58 116.12 3hrd h GLU 269 Ca 0.39 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 3hrd h GLU 269 Cb 0.50 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3hrd h GLU 269 CO -0.33 -0.47 0.35 1.49 -0.73 0.00 0.00 179.01 179.32 3hrd h GLU 270 N -0.73 0.97 -0.50 1.92 4.81 -1.85 0.00 114.58 119.19 3hrd h GLU 270 Ca -0.01 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3hrd h GLU 270 Cb 0.68 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 3hrd h GLU 270 CO -0.10 0.73 0.30 1.03 -0.73 0.00 0.00 179.01 180.24 3hrd h SER 271 N 0.97 0.49 -0.18 1.04 0.87 -0.69 -0.60 113.55 115.45 3hrd h SER 271 Ca 0.24 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 3hrd h SER 271 Cb 0.07 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3hrd h SER 271 CO -0.04 0.35 -0.22 0.74 -0.53 0.00 0.00 176.83 177.13 3hrd h THR 272 N 0.61 1.34 -0.68 2.23 2.02 -0.74 -1.40 112.91 116.28 3hrd h THR 272 Ca 0.20 -1.42 0.04 0.00 0.77 0.00 0.00 66.41 66.01 3hrd h THR 272 Cb 0.01 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3hrd h THR 272 CO -0.08 0.43 0.45 0.74 0.37 0.00 0.00 175.52 177.42 3hrd h THR 273 N 0.12 1.07 0.00 3.16 2.02 -0.77 -3.25 112.91 115.26 3hrd h THR 273 Ca 0.02 -0.27 -0.24 0.00 0.77 0.00 0.00 66.41 66.70 3hrd h THR 273 Cb 0.78 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3hrd h THR 273 CO 0.05 0.14 -2.13 0.52 0.37 0.00 0.00 175.52 174.48 3hrd n VAL 274 N -4.46 0.98 -1.67 3.16 0.31 -0.25 -4.92 118.33 111.46 3hrd n VAL 274 Ca 0.09 -0.73 -0.30 0.00 -0.01 0.00 0.00 64.34 63.38 3hrd n VAL 274 Cb 0.16 -0.39 0.07 0.00 -0.91 0.00 0.00 33.84 32.77 3hrd n VAL 274 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hrd s SER 275 N -5.27 4.89 1.22 4.52 1.04 -0.53 -4.93 113.70 114.64 3hrd s SER 275 Ca -0.08 1.26 -0.15 0.00 0.48 0.00 0.00 55.95 57.46 3hrd s SER 275 Cb 0.09 -2.03 0.30 0.00 0.10 0.00 0.00 66.02 64.48 3hrd s SER 275 CO 0.85 -1.71 1.01 -0.94 0.98 0.00 0.00 173.24 173.43 3hrd s SER 276 N -4.06 0.55 0.15 7.02 1.04 -1.26 -4.77 113.70 112.37 3hrd s SER 276 Ca 0.60 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 58.29 3hrd s SER 276 Cb -0.13 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 3hrd s SER 276 CO 0.53 -4.43 0.09 -0.54 0.98 0.00 0.00 173.24 169.87 3hrd s LYS 277 N -4.66 1.02 0.20 4.02 -0.14 -0.02 -4.68 119.74 115.47 3hrd s LYS 277 Ca 0.68 -1.49 -0.30 0.00 -1.36 0.00 0.00 55.97 53.50 3hrd s LYS 277 Cb -0.21 0.26 -0.08 0.00 -1.68 0.00 0.00 37.83 36.11 3hrd s LYS 277 CO 0.62 -0.31 1.03 0.50 -0.76 0.00 0.00 175.35 176.44 3hrd s ARG 278 N -4.08 4.69 -0.02 1.68 3.52 -0.77 0.45 118.95 124.42 3hrd s ARG 278 Ca 0.29 1.62 -0.30 0.00 -0.13 0.00 0.00 55.73 57.21 3hrd s ARG 278 Cb 0.07 -3.28 -0.07 0.00 -1.56 0.00 0.00 34.95 30.10 3hrd s ARG 278 CO 0.05 0.24 1.87 -1.01 -0.81 0.00 0.00 175.30 175.64 3hrd s HIS 279 N -0.58 1.52 0.30 5.12 3.76 -1.26 -4.08 115.29 120.06 3hrd s HIS 279 Ca 0.46 -0.17 -0.28 0.00 -0.15 0.00 0.00 55.06 54.92 3hrd s HIS 279 Cb -0.28 -4.12 -0.09 0.00 1.11 0.00 0.00 32.58 29.20 3hrd s HIS 279 CO 0.34 -4.86 1.00 -1.25 -0.85 0.00 0.00 174.74 169.11 3hrd s PRO 280 N 4.46 4.63 0.06 8.40 0.04 -1.26 -4.85 135.00 146.48 3hrd s PRO 280 Ca 0.84 1.53 0.02 0.00 0.04 0.00 0.00 61.00 63.42 3hrd s PRO 280 Cb -0.39 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 3hrd s PRO 280 CO 0.37 0.28 -0.07 -1.64 0.04 0.00 0.00 177.00 175.99 3hrd s MET 281 N -1.67 0.62 -0.11 4.56 -1.94 -1.17 -2.42 119.30 117.17 3hrd s MET 281 Ca 0.47 -0.98 0.01 0.00 -1.71 0.00 0.00 55.69 53.47 3hrd s MET 281 Cb -0.25 -0.19 0.02 0.00 2.01 0.00 0.00 34.83 36.43 3hrd s MET 281 CO 0.31 0.00 -0.11 0.95 -0.01 0.00 0.00 175.02 176.17 3hrd s THR 282 N -2.37 1.22 -0.19 2.05 -4.23 -0.82 -0.74 115.64 110.57 3hrd s THR 282 Ca -0.02 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 3hrd s THR 282 Cb -0.03 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.65 3hrd s THR 282 CO -0.02 0.39 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.22 3hrd s MET 283 N 1.35 2.98 -0.27 3.99 -1.94 0.49 -1.79 119.30 124.11 3hrd s MET 283 Ca -0.01 -0.84 -0.17 0.00 -1.71 0.00 0.00 55.69 52.96 3hrd s MET 283 Cb -0.14 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 3hrd s MET 283 CO -0.05 -0.23 0.49 -1.01 -0.01 0.00 0.00 175.02 174.21 3hrd s HIS 284 N 1.29 3.25 0.03 -0.03 3.76 -0.15 0.22 115.29 123.66 3hrd s HIS 284 Ca 0.04 0.54 0.06 0.00 -0.15 0.00 0.00 55.06 55.55 3hrd s HIS 284 Cb -0.13 -2.73 -0.02 0.00 1.11 0.00 0.00 32.58 30.81 3hrd s HIS 284 CO -0.12 -0.31 -0.16 0.00 -0.85 0.00 0.00 174.74 173.30 3hrd s LYS 286 N -1.05 1.08 -0.12 0.00 2.20 -0.32 -1.50 119.74 120.04 3hrd s LYS 286 Ca 0.04 -0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 3hrd s LYS 286 Cb -0.08 -1.61 0.01 0.00 -1.51 0.00 0.00 37.83 34.64 3hrd s LYS 286 CO 0.01 -0.39 -0.21 0.99 -0.36 0.00 0.00 175.35 175.40 3hrd s THR 287 N 1.79 1.90 0.14 3.43 2.01 0.13 -1.14 115.64 123.90 3hrd s THR 287 Ca 0.03 -0.90 0.10 0.00 0.31 0.00 0.00 61.69 61.23 3hrd s THR 287 Cb -0.14 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 3hrd s THR 287 CO -0.07 0.52 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.36 3hrd s GLY 288 N 0.74 1.69 0.21 4.40 0.00 0.63 -1.19 107.32 113.80 3hrd s GLY 288 Ca -0.10 -1.43 -0.21 0.00 0.00 0.00 0.00 44.72 42.98 3hrd s GLY 288 CO 0.01 -1.43 0.62 0.00 0.00 0.00 0.00 173.10 172.30 3hrd s ALA 289 N -1.31 -1.30 0.71 3.20 0.00 -0.15 -0.88 121.76 122.04 3hrd s ALA 289 Ca 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.12 3hrd s ALA 289 Cb -0.10 0.87 0.09 0.00 0.00 0.00 0.00 23.12 23.98 3hrd s ALA 289 CO 0.10 -0.88 1.01 0.95 0.00 0.00 0.00 175.76 176.94 3hrd s THR 290 N -3.84 2.27 0.36 0.00 -4.23 -0.36 -1.43 115.64 108.42 3hrd s THR 290 Ca 0.07 -0.39 0.07 0.00 -1.18 0.00 0.00 61.69 60.26 3hrd s THR 290 Cb -0.03 -2.89 0.31 0.00 1.34 0.00 0.00 72.50 71.23 3hrd s THR 290 CO -0.03 0.00 1.93 0.11 -0.54 0.00 0.00 174.62 176.09 3hrd h LYS 291 N -0.59 0.70 0.00 3.99 1.57 -1.92 -0.35 116.57 119.97 3hrd h LYS 291 Ca -0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3hrd h LYS 291 Cb 1.29 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3hrd h LYS 291 CO 0.51 0.47 0.00 -0.40 -0.57 0.00 0.00 179.45 179.45 3hrd n ASP 292 N -4.50 0.00 0.00 0.86 5.75 -1.26 -4.81 116.55 112.59 3hrd n ASP 292 Ca 0.13 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.28 3hrd n ASP 292 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3hrd n ASP 292 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hrd n GLY 293 N -0.06 0.56 3.73 6.12 0.00 -0.14 -5.03 105.19 110.37 3hrd n GLY 293 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3hrd n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hrd s ARG 294 N -0.10 4.55 0.21 1.61 0.52 -1.25 -4.84 118.95 119.64 3hrd s ARG 294 Ca 0.00 1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 56.12 3hrd s ARG 294 Cb 0.00 -3.41 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 3hrd s ARG 294 CO 0.00 0.13 1.22 -0.51 0.02 0.00 0.00 175.30 176.17 3hrd s LEU 295 N 0.41 4.45 -0.04 2.53 1.43 -1.26 -1.22 118.68 124.98 3hrd s LEU 295 Ca 0.44 2.31 0.02 0.00 -1.03 0.00 0.00 54.13 55.87 3hrd s LEU 295 Cb -0.21 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3hrd s LEU 295 CO 0.25 -0.40 -0.01 0.00 0.23 0.00 0.00 176.35 176.42 3hrd n GLN 296 N 2.26 2.00 -3.58 1.70 1.13 -0.06 -4.54 117.38 116.29 3hrd n GLN 296 Ca 0.04 0.01 -0.16 0.00 -1.94 0.00 0.00 57.00 54.95 3hrd n GLN 296 Cb 0.44 -1.09 -0.07 0.00 0.11 0.00 0.00 30.24 29.63 3hrd n GLN 296 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hrd s ALA 297 N -2.09 -1.78 -0.04 -1.58 0.00 -1.08 -2.74 121.76 112.46 3hrd s ALA 297 Ca -0.04 1.72 0.03 0.00 0.00 0.00 0.00 51.96 53.67 3hrd s ALA 297 Cb 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3hrd s ALA 297 CO 0.13 -0.35 -0.11 0.08 0.00 0.00 0.00 175.76 175.50 3hrd s VAL 298 N -0.31 0.99 -0.06 0.00 1.01 0.09 -0.27 120.40 121.85 3hrd s VAL 298 Ca -0.05 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3hrd s VAL 298 Cb -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.50 3hrd s VAL 298 CO 0.05 0.30 -0.02 -1.58 0.00 0.00 0.00 175.10 173.86 3hrd s GLN 299 N 0.24 0.68 -0.03 2.72 0.74 -0.29 -1.44 119.66 122.28 3hrd s GLN 299 Ca -0.05 0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.43 3hrd s GLN 299 Cb -0.10 -0.91 -0.01 0.00 1.10 0.00 0.00 33.01 33.09 3hrd s GLN 299 CO 0.01 -0.22 -0.16 0.08 -0.55 0.00 0.00 175.29 174.46 3hrd s VAL 300 N 1.54 1.28 -0.24 1.34 1.01 -0.60 -1.17 120.40 123.56 3hrd s VAL 300 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3hrd s VAL 300 Cb -0.13 -1.09 0.07 0.00 0.00 0.00 0.00 36.38 35.23 3hrd s VAL 300 CO -0.03 0.37 -0.00 -0.70 0.00 0.00 0.00 175.10 174.73 3hrd s GLU 301 N -0.13 1.26 0.23 2.72 2.12 -0.06 -1.11 118.70 123.72 3hrd s GLU 301 Ca 0.01 -0.93 0.09 0.00 0.36 0.00 0.00 54.97 54.50 3hrd s GLU 301 Cb -0.09 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.82 3hrd s GLU 301 CO 0.01 -0.69 -0.16 0.00 -0.54 0.00 0.00 175.26 173.88 3hrd s MET 302 N 1.50 1.42 0.01 4.30 0.23 0.58 -0.98 119.30 126.37 3hrd s MET 302 Ca -0.01 -1.64 0.03 0.00 -1.03 0.00 0.00 55.69 53.03 3hrd s MET 302 Cb -0.18 -1.29 -0.01 0.00 -1.53 0.00 0.00 34.83 31.81 3hrd s MET 302 CO -0.10 0.22 -0.08 -0.06 -2.03 0.00 0.00 175.02 172.98 3hrd s PHE 303 N -2.85 0.71 -0.01 3.16 0.08 -0.74 -1.28 117.98 117.05 3hrd s PHE 303 Ca 0.25 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.06 3hrd s PHE 303 Cb -0.02 -0.44 -0.00 0.00 -0.57 0.00 0.00 43.02 41.99 3hrd s PHE 303 CO 0.09 -0.02 -0.06 0.20 -0.10 0.00 0.00 175.22 175.32 3hrd s GLY 304 N -0.70 0.34 -0.51 4.36 0.00 -0.52 -1.95 107.32 108.33 3hrd s GLY 304 Ca -0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 44.72 44.28 3hrd s GLY 304 CO 0.00 -0.17 0.54 -0.35 0.00 0.00 0.00 173.10 173.12 3hrd s ASP 305 N -0.04 6.18 0.00 1.64 -1.08 -1.01 -0.36 116.67 121.99 3hrd s ASP 305 Ca 0.01 -1.30 0.30 0.00 -0.52 0.00 0.00 52.55 51.04 3hrd s ASP 305 Cb -0.04 -2.24 1.39 0.00 -1.46 0.00 0.00 42.92 40.57 3hrd s ASP 305 CO -0.00 -0.84 1.95 1.07 0.52 0.00 0.00 175.17 177.87 3hrd n THR 306 N 5.39 0.00 -4.20 1.71 5.66 -0.50 -4.19 114.28 118.15 3hrd n THR 306 Ca -0.10 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 3hrd n THR 306 Cb 0.43 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 3hrd n THR 306 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hrd n GLY 307 N 1.19 -1.29 0.24 1.09 0.00 -1.26 -0.62 105.19 104.55 3hrd n GLY 307 Ca 0.18 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.97 3hrd n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd h ALA 308 N -0.20 1.52 -2.56 4.61 0.00 -0.23 -2.26 119.26 120.14 3hrd h ALA 308 Ca 0.00 -0.20 -0.37 0.00 0.00 0.00 0.00 54.91 54.34 3hrd h ALA 308 Cb 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 17.54 3hrd h ALA 308 CO 0.00 0.34 -0.73 0.71 0.00 0.00 0.00 179.25 179.57 3hrd s TYR 309 N -4.73 1.31 0.09 0.00 1.51 -1.26 -4.86 117.35 109.41 3hrd s TYR 309 Ca -0.05 -0.65 -0.23 0.00 -1.01 0.00 0.00 57.07 55.13 3hrd s TYR 309 Cb 0.15 -0.67 -0.14 0.00 -0.11 0.00 0.00 41.96 41.19 3hrd s TYR 309 CO 0.73 0.11 1.73 0.00 -1.11 0.00 0.00 175.55 177.01 3hrd h ALA 310 N 3.18 0.03 -0.32 3.71 0.00 -1.86 -3.39 119.26 120.62 3hrd h ALA 310 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hrd h ALA 310 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hrd h ALA 310 CO 0.57 -0.46 0.00 0.45 0.00 0.00 0.00 179.25 179.81 3hrd n SER 311 N -5.06 0.00 -0.29 0.00 2.88 -1.26 0.78 113.62 110.66 3hrd n SER 311 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3hrd n SER 311 Cb 0.04 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 3hrd n SER 311 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3hrd n TYR 312 N 14.00 0.04 -0.31 0.66 4.01 -1.26 -4.34 117.16 129.95 3hrd n TYR 312 Ca 0.00 -0.01 0.09 0.00 -0.16 0.00 0.00 57.90 57.81 3hrd n TYR 312 Cb 0.00 -0.06 0.20 0.00 -0.31 0.00 0.00 39.34 39.17 3hrd n TYR 312 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3hrd h GLY 313 N 5.46 0.94 0.98 2.72 0.00 0.16 0.11 103.07 113.43 3hrd h GLY 313 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 3hrd h GLY 313 CO 0.01 -0.40 0.14 -2.55 0.00 0.00 0.00 176.54 173.74 3hrd h PRO 314 N 0.03 0.31 -0.41 4.80 0.11 -1.80 -2.08 132.00 132.96 3hrd h PRO 314 Ca 0.50 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.55 3hrd h PRO 314 Cb 0.90 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3hrd h PRO 314 CO -0.86 0.24 0.14 0.00 -0.21 0.00 0.00 178.00 177.31 3hrd h ALA 315 N 1.05 1.47 -0.02 -0.75 0.00 -1.22 -2.92 119.26 116.86 3hrd h ALA 315 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hrd h ALA 315 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hrd h ALA 315 CO -0.02 0.40 -0.10 0.28 0.00 0.00 0.00 179.25 179.81 3hrd h VAL 316 N 0.59 1.49 -0.93 0.00 2.07 -0.72 -2.43 116.25 116.32 3hrd h VAL 316 Ca 0.14 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 3hrd h VAL 316 Cb 0.17 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 3hrd h VAL 316 CO -0.01 0.43 0.55 -0.29 0.02 0.00 0.00 177.57 178.27 3hrd h ILE 317 N -0.49 1.26 -0.00 4.57 2.10 -1.36 -0.24 117.51 123.34 3hrd h ILE 317 Ca -0.01 -0.58 -0.13 0.00 1.08 0.00 0.00 64.86 65.22 3hrd h ILE 317 Cb 0.76 -0.04 0.01 0.00 -1.09 0.00 0.00 36.82 36.46 3hrd h ILE 317 CO 0.02 0.27 -0.52 0.71 -1.08 0.00 0.00 178.15 177.56 3hrd h THR 318 N 1.29 1.46 -0.12 2.19 1.35 -1.61 -1.67 112.91 115.80 3hrd h THR 318 Ca 0.33 -2.05 0.02 0.00 -0.55 0.00 0.00 66.41 64.16 3hrd h THR 318 Cb -0.04 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.00 3hrd h THR 318 CO -0.06 0.59 0.02 -0.09 -0.25 0.00 0.00 175.52 175.73 3hrd h ARG 319 N -0.20 0.07 -0.58 4.72 2.43 -1.38 0.14 114.38 119.58 3hrd h ARG 319 Ca -0.06 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3hrd h ARG 319 Cb 1.24 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 3hrd h ARG 319 CO 0.10 0.04 0.39 0.00 -1.51 0.00 0.00 179.97 178.99 3hrd h ALA 320 N 1.09 1.72 -0.35 2.80 0.00 -1.09 -1.72 119.26 121.71 3hrd h ALA 320 Ca 0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3hrd h ALA 320 Cb 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hrd h ALA 320 CO -0.07 0.21 -0.42 1.15 0.00 0.00 0.00 179.25 180.12 3hrd h THR 321 N 0.66 1.27 0.00 0.00 2.02 -0.32 -1.37 112.91 115.17 3hrd h THR 321 Ca 0.24 -1.60 -0.04 0.00 0.77 0.00 0.00 66.41 65.78 3hrd h THR 321 Cb 0.12 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3hrd h THR 321 CO -0.07 0.53 -0.21 0.58 0.37 0.00 0.00 175.52 176.73 3hrd h VAL 322 N 0.72 0.49 0.00 3.16 2.07 -0.10 -3.32 116.25 119.27 3hrd h VAL 322 Ca 0.05 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3hrd h VAL 322 Cb 1.02 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3hrd h VAL 322 CO 0.10 0.20 -0.61 1.41 0.02 0.00 0.00 177.57 178.69 3hrd n HIS 323 N -3.34 0.00 0.00 1.57 -0.00 -0.71 -4.72 115.22 108.03 3hrd n HIS 323 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3hrd n HIS 323 Cb 0.44 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 3hrd n HIS 323 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hrd n MET 325 N -1.22 0.12 0.00 0.00 0.00 -1.26 -4.43 117.12 110.32 3hrd n MET 325 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.72 3hrd n MET 325 Cb 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 31.68 3hrd n MET 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hrd n GLY 326 N 1.44 -0.10 1.87 3.17 0.00 0.34 -4.54 105.19 107.37 3hrd n GLY 326 Ca 0.04 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.19 3hrd n GLY 326 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hrd n PRO 327 N -0.03 1.25 -4.31 1.61 -0.04 -1.26 -4.84 135.00 127.38 3hrd n PRO 327 Ca 0.00 -0.44 -0.21 0.00 -0.04 0.00 0.00 63.50 62.81 3hrd n PRO 327 Cb 0.00 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 31.79 3hrd n PRO 327 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3hrd s TYR 328 N 0.93 1.38 -0.30 0.54 2.02 -1.26 -2.81 117.35 117.85 3hrd s TYR 328 Ca 0.30 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.30 3hrd s TYR 328 Cb 0.14 -0.79 -0.00 0.00 -0.40 0.00 0.00 41.96 40.91 3hrd s TYR 328 CO 0.00 0.08 1.35 0.08 -1.57 0.00 0.00 175.55 175.49 3hrd s VAL 329 N -1.04 4.06 -0.23 0.71 1.01 0.10 -4.89 120.40 120.12 3hrd s VAL 329 Ca 0.02 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.19 3hrd s VAL 329 Cb -0.09 -4.10 0.06 0.00 0.00 0.00 0.00 36.38 32.25 3hrd s VAL 329 CO 0.02 -0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 173.93 3hrd s VAL 330 N 4.57 1.33 -0.38 2.92 1.01 -1.26 -4.71 120.40 123.87 3hrd s VAL 330 Ca 0.59 -1.09 0.22 0.00 0.00 0.00 0.00 61.98 61.69 3hrd s VAL 330 Cb -0.18 -1.65 0.22 0.00 0.00 0.00 0.00 36.38 34.78 3hrd s VAL 330 CO 0.25 -0.13 1.66 -0.81 0.00 0.00 0.00 175.10 176.07 3hrd n PRO 331 N 4.74 0.16 -3.65 2.72 -0.04 -1.26 -4.55 135.00 133.12 3hrd n PRO 331 Ca -0.11 0.52 -0.20 0.00 -0.04 0.00 0.00 63.50 63.66 3hrd n PRO 331 Cb 0.45 -1.89 -0.17 0.00 -0.04 0.00 0.00 33.50 31.85 3hrd n PRO 331 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hrd s ASN 332 N -4.08 1.26 0.00 3.54 0.01 -1.11 -4.22 114.94 110.34 3hrd s ASN 332 Ca 0.01 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 3hrd s ASN 332 Cb 0.08 -0.01 -0.00 0.00 0.41 0.00 0.00 41.25 41.72 3hrd s ASN 332 CO 0.29 -0.27 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.91 3hrd s VAL 333 N 2.21 0.02 -0.03 1.60 1.01 -0.60 -0.73 120.40 123.88 3hrd s VAL 333 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3hrd s VAL 333 Cb -0.13 -0.03 0.02 0.00 0.00 0.00 0.00 36.38 36.24 3hrd s VAL 333 CO -0.05 -0.00 -0.04 -0.60 0.00 0.00 0.00 175.10 174.41 3hrd s ARG 334 N -0.02 0.66 -0.04 2.72 3.52 -0.52 -0.10 118.95 125.15 3hrd s ARG 334 Ca -0.00 -0.09 -0.00 0.00 -0.13 0.00 0.00 55.73 55.50 3hrd s ARG 334 Cb -0.00 -0.69 0.03 0.00 -1.56 0.00 0.00 34.95 32.73 3hrd s ARG 334 CO -0.00 -0.05 0.00 0.08 -0.81 0.00 0.00 175.30 174.53 3hrd s VAL 335 N 0.71 0.24 -0.14 7.11 1.01 0.97 -1.55 120.40 128.74 3hrd s VAL 335 Ca -0.09 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3hrd s VAL 335 Cb -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3hrd s VAL 335 CO -0.00 0.19 -0.19 -1.81 0.00 0.00 0.00 175.10 173.29 3hrd s ASP 336 N 1.38 3.42 -0.02 3.32 1.01 -0.27 -0.64 116.67 124.88 3hrd s ASP 336 Ca -0.04 -0.51 0.01 0.00 0.71 0.00 0.00 52.55 52.71 3hrd s ASP 336 Cb -0.13 -1.50 0.01 0.00 1.01 0.00 0.00 42.92 42.31 3hrd s ASP 336 CO -0.02 0.11 -0.02 0.00 0.21 0.00 0.00 175.17 175.44 3hrd s ALA 337 N 0.67 0.40 -0.10 5.23 0.00 -0.81 -0.30 121.76 126.85 3hrd s ALA 337 Ca -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 3hrd s ALA 337 Cb -0.16 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.74 3hrd s ALA 337 CO 0.02 0.00 0.01 0.21 0.00 0.00 0.00 175.76 176.00 3hrd s LYS 338 N 0.58 0.60 -0.14 0.00 2.20 -0.40 -1.61 119.74 120.97 3hrd s LYS 338 Ca -0.06 -0.00 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 3hrd s LYS 338 Cb -0.10 -1.23 -0.03 0.00 -1.51 0.00 0.00 37.83 34.96 3hrd s LYS 338 CO -0.01 -0.38 0.01 -0.06 -0.36 0.00 0.00 175.35 174.55 3hrd s PHE 339 N 1.96 3.15 0.14 4.03 0.40 -0.53 -1.44 117.98 125.69 3hrd s PHE 339 Ca 0.04 0.01 0.10 0.00 -0.60 0.00 0.00 56.93 56.48 3hrd s PHE 339 Cb -0.13 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.43 3hrd s PHE 339 CO -0.06 0.22 -0.23 0.14 0.70 0.00 0.00 175.22 176.00 3hrd s VAL 340 N -0.13 2.05 0.21 -0.44 -7.23 0.51 -0.68 120.40 114.69 3hrd s VAL 340 Ca 0.05 -1.80 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 3hrd s VAL 340 Cb -0.13 -1.88 -0.08 0.00 0.56 0.00 0.00 36.38 34.85 3hrd s VAL 340 CO 0.02 -0.08 0.89 -0.31 -0.31 0.00 0.00 175.10 175.31 3hrd s TYR 341 N -1.43 3.95 0.24 2.82 2.02 0.14 -1.41 117.35 123.69 3hrd s TYR 341 Ca 0.14 1.82 -0.06 0.00 -0.37 0.00 0.00 57.07 58.60 3hrd s TYR 341 Cb -0.09 -2.91 -0.02 0.00 -0.40 0.00 0.00 41.96 38.54 3hrd s TYR 341 CO 0.07 0.46 0.32 0.95 -1.57 0.00 0.00 175.55 175.78 3hrd s THR 342 N -1.09 0.00 -1.01 -0.71 -4.23 -0.85 -4.86 115.64 102.88 3hrd s THR 342 Ca 0.40 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 3hrd s THR 342 Cb -0.25 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.57 3hrd s THR 342 CO 0.30 0.00 1.14 0.59 -0.54 0.00 0.00 174.62 176.11 3hrd n ASN 343 N -0.50 2.89 -4.81 3.99 4.13 0.11 -0.66 115.26 120.40 3hrd n ASN 343 Ca 0.01 -2.32 -0.29 0.00 1.68 0.00 0.00 54.58 53.65 3hrd n ASN 343 Cb 0.64 -0.49 0.11 0.00 -1.54 0.00 0.00 39.78 38.50 3hrd n ASN 343 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3hrd s ASN 344 N -0.54 3.97 0.54 6.41 0.02 -1.25 -4.55 114.94 119.54 3hrd s ASN 344 Ca 0.25 1.01 -0.21 0.00 -1.02 0.00 0.00 52.86 52.90 3hrd s ASN 344 Cb 0.18 -1.62 -0.06 0.00 0.02 0.00 0.00 41.25 39.77 3hrd s ASN 344 CO 0.10 -2.27 1.15 -2.65 0.02 0.00 0.00 177.10 173.45 3hrd n PRO 345 N -3.59 1.35 -1.68 -0.60 -0.02 -1.26 -1.96 135.00 127.23 3hrd n PRO 345 Ca 0.07 0.50 -0.45 0.00 -2.02 0.00 0.00 63.50 61.60 3hrd n PRO 345 Cb 0.59 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 3hrd n PRO 345 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3hrd n MET 346 N -0.75 2.51 -3.31 -0.52 0.00 -1.26 -4.15 117.12 109.64 3hrd n MET 346 Ca 0.11 0.91 -0.38 0.00 -0.00 0.00 0.00 57.70 58.35 3hrd n MET 346 Cb 0.44 -2.79 -0.06 0.00 0.00 0.00 0.00 33.22 30.82 3hrd n MET 346 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 3hrd s SER 347 N 3.26 6.80 0.00 6.12 0.01 0.21 -0.84 113.70 129.26 3hrd s SER 347 Ca 0.87 0.95 0.00 0.00 1.31 0.00 0.00 55.95 59.08 3hrd s SER 347 Cb -0.57 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.35 3hrd s SER 347 CO 0.43 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.78 3hrd n GLY 348 N 2.77 5.20 3.67 3.44 0.00 0.17 -4.23 105.19 116.21 3hrd n GLY 348 Ca -0.08 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 3hrd n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 349 N -2.00 3.58 -0.06 4.61 0.00 -1.26 -4.52 121.76 122.11 3hrd s ALA 349 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 3hrd s ALA 349 Cb 0.00 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.67 3hrd s ALA 349 CO 0.00 -0.21 0.11 0.12 0.00 0.00 0.00 175.76 175.78 3hrd s PHE 350 N 1.10 -0.07 0.00 0.00 5.99 -1.26 -3.41 117.98 120.34 3hrd s PHE 350 Ca 0.15 0.44 0.00 0.00 0.00 0.00 0.00 56.93 57.52 3hrd s PHE 350 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 43.02 42.53 3hrd s PHE 350 CO 0.06 -0.23 0.00 -2.13 -0.00 0.00 0.00 175.22 172.92 3hrd n ARG 351 N 5.24 0.00 0.00 10.12 0.63 -0.58 -2.76 116.66 129.31 3hrd n ARG 351 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 3hrd n ARG 351 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 3hrd n ARG 351 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hrd n GLY 352 N 0.00 1.67 4.03 5.14 0.00 -1.26 -4.79 105.19 109.98 3hrd n GLY 352 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3hrd n GLY 352 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hrd n PHE 353 N 0.00 -1.54 0.00 1.61 0.99 -1.11 -1.07 117.46 116.34 3hrd n PHE 353 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 57.45 58.01 3hrd n PHE 353 Cb 0.00 -3.31 0.00 0.00 -1.00 0.00 0.00 39.48 35.17 3hrd n PHE 353 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hrd n GLY 354 N -2.12 2.35 0.11 1.37 0.00 -1.26 -4.07 105.19 101.57 3hrd n GLY 354 Ca -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 3hrd n GLY 354 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hrd h VAL 355 N 0.00 1.55 -0.78 1.61 2.07 -1.44 -1.79 116.25 117.47 3hrd h VAL 355 Ca 0.00 -2.80 0.01 0.00 0.82 0.00 0.00 66.70 64.74 3hrd h VAL 355 Cb 0.00 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 3hrd h VAL 355 CO 0.00 0.81 0.51 -0.65 0.02 0.00 0.00 177.57 178.26 3hrd h PRO 356 N 0.05 1.00 -0.56 1.57 0.11 -1.87 0.34 132.00 132.64 3hrd h PRO 356 Ca -0.03 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3hrd h PRO 356 Cb 1.53 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 3hrd h PRO 356 CO 0.13 0.66 0.00 1.96 -0.21 0.00 0.00 178.00 180.54 3hrd h GLN 357 N 1.03 0.99 -0.65 1.05 7.50 -1.93 -2.55 115.11 120.55 3hrd h GLN 357 Ca 0.29 -0.31 -0.07 0.00 0.50 0.00 0.00 58.65 59.06 3hrd h GLN 357 Cb -0.09 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.32 3hrd h GLN 357 CO -0.07 0.99 0.13 0.00 -1.50 0.00 0.00 178.83 178.38 3hrd h ALA 358 N 0.96 1.01 -0.58 3.87 0.00 -0.49 -2.98 119.26 121.06 3hrd h ALA 358 Ca 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hrd h ALA 358 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hrd h ALA 358 CO 0.03 0.64 0.04 0.66 0.00 0.00 0.00 179.25 180.61 3hrd h SER 359 N 0.99 0.94 -1.00 0.00 4.64 -0.17 0.12 113.55 119.06 3hrd h SER 359 Ca 0.20 -0.24 0.17 0.00 -0.47 0.00 0.00 61.79 61.46 3hrd h SER 359 Cb 0.38 -0.25 -0.10 0.00 -0.31 0.00 0.00 62.40 62.12 3hrd h SER 359 CO 0.01 0.98 0.62 0.58 -0.87 0.00 0.00 176.83 178.14 3hrd h VAL 360 N 0.91 0.76 0.31 0.95 2.07 -1.30 0.18 116.25 120.12 3hrd h VAL 360 Ca 0.17 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3hrd h VAL 360 Cb 0.48 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3hrd h VAL 360 CO 0.02 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 177.61 3hrd h HIS 362 N -1.00 0.43 0.01 0.00 2.07 -0.85 -1.59 115.15 114.23 3hrd h HIS 362 Ca -0.04 -0.01 -0.20 0.00 -2.85 0.00 0.00 60.37 57.27 3hrd h HIS 362 Cb 0.31 -0.14 -0.02 0.00 2.57 0.00 0.00 27.41 30.14 3hrd h HIS 362 CO 0.01 0.33 -0.91 0.93 -3.07 0.00 0.00 177.93 175.23 3hrd h GLU 363 N 0.45 0.13 -0.62 5.12 4.39 -1.11 -1.81 114.58 121.13 3hrd h GLU 363 Ca 0.11 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 3hrd h GLU 363 Cb 0.07 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3hrd h GLU 363 CO -0.01 0.95 0.09 0.78 -1.16 0.00 0.00 179.01 179.65 3hrd h GLY 364 N 2.12 1.09 0.78 -3.84 0.00 -0.91 -1.47 103.07 100.84 3hrd h GLY 364 Ca -0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 3hrd h GLY 364 CO 0.13 0.66 0.00 1.46 0.00 0.00 0.00 176.54 178.80 3hrd h GLN 365 N 0.95 0.23 -0.98 4.80 1.08 -1.19 -2.41 115.11 117.60 3hrd h GLN 365 Ca 0.19 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 3hrd h GLN 365 Cb 0.43 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.79 3hrd h GLN 365 CO 0.01 0.46 0.65 0.52 -0.95 0.00 0.00 178.83 179.52 3hrd h MET 366 N -0.02 1.27 -0.07 1.46 2.86 -1.16 -1.14 114.93 118.13 3hrd h MET 366 Ca 0.04 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 3hrd h MET 366 Cb 0.35 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3hrd h MET 366 CO 0.01 0.84 -0.49 -0.91 1.06 0.00 0.00 176.91 177.42 3hrd h ASN 367 N 1.31 0.19 0.29 1.22 -0.26 -1.22 -0.45 115.58 116.67 3hrd h ASN 367 Ca 0.36 -0.09 -0.18 0.00 -0.56 0.00 0.00 56.30 55.83 3hrd h ASN 367 Cb -0.13 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 3hrd h ASN 367 CO -0.08 0.65 -0.72 0.00 -1.06 0.00 0.00 177.43 176.22 3hrd h ALA 368 N 1.36 0.63 0.11 -0.83 0.00 -0.90 -1.36 119.26 118.27 3hrd h ALA 368 Ca 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3hrd h ALA 368 Cb 0.92 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hrd h ALA 368 CO 0.07 0.77 -0.05 -0.07 0.00 0.00 0.00 179.25 179.97 3hrd h LEU 369 N 0.25 -0.13 -0.85 0.00 3.38 -0.98 -1.18 115.31 115.80 3hrd h LEU 369 Ca -0.03 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3hrd h LEU 369 Cb 1.29 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 3hrd h LEU 369 CO 0.12 0.14 0.54 0.00 0.09 0.00 0.00 178.44 179.33 3hrd h ALA 370 N 0.46 1.15 -0.02 1.53 0.00 -1.04 0.11 119.26 121.46 3hrd h ALA 370 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hrd h ALA 370 Cb 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hrd h ALA 370 CO 0.02 0.32 0.00 -0.22 0.00 0.00 0.00 179.25 179.37 3hrd h LYS 371 N 1.00 0.04 -0.72 0.00 3.64 -1.17 0.71 116.57 120.08 3hrd h LYS 371 Ca 0.36 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3hrd h LYS 371 Cb 0.11 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3hrd h LYS 371 CO -0.15 0.32 0.32 0.00 -2.27 0.00 0.00 179.45 177.67 3hrd h ALA 372 N 0.72 0.93 -0.12 5.00 0.00 -0.89 -1.50 119.26 123.41 3hrd h ALA 372 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hrd h ALA 372 Cb 0.30 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hrd h ALA 372 CO 0.00 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.05 3hrd n LEU 373 N -4.39 0.82 -3.40 0.00 4.77 0.35 -4.90 117.00 110.25 3hrd n LEU 373 Ca 0.06 -0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 55.41 3hrd n LEU 373 Cb 0.15 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3hrd n LEU 373 CO 0.39 0.19 0.03 0.61 -1.33 0.00 0.00 177.39 177.28 3hrd n GLY 374 N 0.87 -0.50 3.91 -0.72 0.00 -0.24 -4.97 105.19 103.53 3hrd n GLY 374 Ca 0.11 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 3hrd n GLY 374 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hrd s MET 375 N -6.08 3.04 -0.03 1.61 -1.94 0.23 -5.00 119.30 111.13 3hrd s MET 375 Ca 0.45 -1.04 -0.30 0.00 -1.71 0.00 0.00 55.69 53.08 3hrd s MET 375 Cb -0.22 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.90 3hrd s MET 375 CO 0.55 0.22 1.09 0.34 -0.01 0.00 0.00 175.02 177.22 3hrd s ASP 376 N -4.01 7.19 0.42 3.03 2.15 -1.26 -4.42 116.67 119.76 3hrd s ASP 376 Ca 0.39 1.75 0.23 0.00 0.43 0.00 0.00 52.55 55.35 3hrd s ASP 376 Cb -0.08 -2.56 1.24 0.00 -0.30 0.00 0.00 42.92 41.21 3hrd s ASP 376 CO 0.28 -0.44 1.72 1.55 -0.17 0.00 0.00 175.17 178.11 3hrd h PRO 377 N 7.06 0.26 -0.19 4.34 0.13 -1.95 0.11 132.00 141.77 3hrd h PRO 377 Ca -0.37 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.56 3hrd h PRO 377 Cb 1.18 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hrd h PRO 377 CO 0.83 0.17 -0.63 0.82 -0.23 0.00 0.00 178.00 178.96 3hrd h ILE 378 N 0.26 1.31 -0.26 -3.56 1.08 -1.97 -3.14 117.51 111.23 3hrd h ILE 378 Ca 0.68 -1.87 -0.04 0.00 -0.39 0.00 0.00 64.86 63.23 3hrd h ILE 378 Cb 1.93 1.83 -0.01 0.00 -3.07 0.00 0.00 36.82 37.50 3hrd h ILE 378 CO -0.33 0.59 -0.00 0.44 -0.69 0.00 0.00 178.15 178.15 3hrd h ASP 379 N 0.49 0.45 0.07 1.72 3.32 -1.19 -0.70 116.42 120.58 3hrd h ASP 379 Ca -0.01 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3hrd h ASP 379 Cb 1.22 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 3hrd h ASP 379 CO 0.12 0.65 -0.03 -0.29 -1.72 0.00 0.00 179.24 177.97 3hrd h ILE 380 N 0.23 0.70 0.21 0.35 2.10 -1.45 -0.51 117.51 119.14 3hrd h ILE 380 Ca 0.07 -0.13 -0.33 0.00 1.08 0.00 0.00 64.86 65.56 3hrd h ILE 380 Cb 0.42 1.08 0.02 0.00 -1.09 0.00 0.00 36.82 37.25 3hrd h ILE 380 CO 0.01 0.03 -1.49 0.03 -1.08 0.00 0.00 178.15 175.66 3hrd h ARG 381 N 0.00 0.44 -0.61 2.19 3.08 -1.44 -3.17 114.38 114.87 3hrd h ARG 381 Ca -0.00 -0.75 -0.07 0.00 0.07 0.00 0.00 59.98 59.23 3hrd h ARG 381 Cb 0.07 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3hrd h ARG 381 CO 0.00 1.35 0.10 0.82 -1.07 0.00 0.00 179.97 181.17 3hrd h ILE 382 N 0.12 1.25 -0.57 2.04 2.04 -0.34 0.16 117.51 122.21 3hrd h ILE 382 Ca -0.25 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 64.64 3hrd h ILE 382 Cb 2.11 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 3hrd h ILE 382 CO 0.24 0.37 0.36 0.25 0.00 0.00 0.00 178.15 179.36 3hrd h LEU 383 N 0.94 0.60 -1.48 1.44 5.85 -1.21 -3.00 115.31 118.44 3hrd h LEU 383 Ca 0.19 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hrd h LEU 383 Cb 0.41 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3hrd h LEU 383 CO 0.01 0.42 -0.14 0.59 -0.34 0.00 0.00 178.44 178.98 3hrd n ASN 384 N -4.73 2.45 -4.61 1.25 3.02 -1.14 -5.01 115.26 106.47 3hrd n ASN 384 Ca 0.04 -1.75 -0.37 0.00 -0.03 0.00 0.00 54.58 52.47 3hrd n ASN 384 Cb 0.06 0.13 0.06 0.00 -0.61 0.00 0.00 39.78 39.42 3hrd n ASN 384 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hrd n ALA 385 N 0.73 0.12 -1.77 5.41 0.00 0.55 -0.72 120.51 124.83 3hrd n ALA 385 Ca 0.13 -0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 3hrd n ALA 385 Cb 0.52 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 3hrd n ALA 385 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hrd s HIS 386 N -1.55 2.86 0.08 0.00 3.76 -1.12 -4.55 115.29 114.77 3hrd s HIS 386 Ca 0.76 1.53 -0.07 0.00 -0.15 0.00 0.00 55.06 57.14 3hrd s HIS 386 Cb -0.40 -3.38 -0.01 0.00 1.11 0.00 0.00 32.58 29.89 3hrd s HIS 386 CO 0.47 -1.53 0.14 -0.65 -0.85 0.00 0.00 174.74 172.32 3hrd s GLN 387 N -2.71 0.81 0.08 1.40 -0.21 -1.26 -4.63 119.66 113.14 3hrd s GLN 387 Ca 0.64 -1.04 -0.34 0.00 0.02 0.00 0.00 55.36 54.64 3hrd s GLN 387 Cb -0.29 0.31 -0.13 0.00 1.00 0.00 0.00 33.01 33.90 3hrd s GLN 387 CO 0.35 -0.24 1.66 0.28 -2.12 0.00 0.00 175.29 175.22 3hrd n VAL 388 N -0.03 0.18 0.00 1.09 0.31 -1.26 -1.09 118.33 117.52 3hrd n VAL 388 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3hrd n VAL 388 Cb 0.62 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3hrd n VAL 388 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hrd n GLY 389 N 3.69 2.87 3.75 2.92 0.00 0.18 -5.00 105.19 113.61 3hrd n GLY 389 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3hrd n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 390 N -2.53 2.80 -0.22 4.61 0.00 -0.25 -4.61 121.76 121.57 3hrd s ALA 390 Ca 0.00 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 3hrd s ALA 390 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3hrd s ALA 390 CO 0.00 -1.16 0.32 0.21 0.00 0.00 0.00 175.76 175.13 3hrd s LYS 391 N -2.93 4.14 0.49 0.00 2.20 -1.26 -1.58 119.74 120.80 3hrd s LYS 391 Ca 0.71 0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 56.28 3hrd s LYS 391 Cb -0.36 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 3hrd s LYS 391 CO 0.42 -0.01 0.83 -0.51 -0.36 0.00 0.00 175.35 175.72 3hrd s LEU 392 N 1.24 3.61 0.00 5.43 1.02 0.42 -4.70 118.68 125.70 3hrd s LEU 392 Ca 0.15 1.08 0.03 0.00 0.02 0.00 0.00 54.13 55.41 3hrd s LEU 392 Cb -0.14 -4.03 0.14 0.00 0.02 0.00 0.00 46.19 42.18 3hrd s LEU 392 CO 0.07 -0.58 0.99 0.00 0.02 0.00 0.00 176.35 176.84 3hrd n ALA 393 N -2.08 1.25 0.19 4.21 0.00 -1.26 -0.50 120.51 122.31 3hrd n ALA 393 Ca 0.02 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.53 3hrd n ALA 393 Cb 0.55 -1.05 0.16 0.00 0.00 0.00 0.00 19.45 19.11 3hrd n ALA 393 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hrd n THR 394 N -1.38 0.53 0.00 0.00 -2.24 -1.26 -4.61 114.28 105.32 3hrd n THR 394 Ca 0.01 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3hrd n THR 394 Cb 0.03 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3hrd n THR 394 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hrd n GLY 395 N 1.00 1.48 3.75 3.38 0.00 0.34 -5.04 105.19 110.10 3hrd n GLY 395 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hrd n GLY 395 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hrd s GLN 396 N -0.85 4.49 -0.16 1.61 0.74 -1.25 -4.69 119.66 119.56 3hrd s GLN 396 Ca 0.00 1.94 -0.05 0.00 0.05 0.00 0.00 55.36 57.30 3hrd s GLN 396 Cb 0.00 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.89 3hrd s GLN 396 CO 0.00 -0.05 -0.01 0.54 -0.55 0.00 0.00 175.29 175.22 3hrd s VAL 397 N -0.48 4.15 0.01 1.34 0.11 -1.26 0.16 120.40 124.42 3hrd s VAL 397 Ca 0.51 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.99 3hrd s VAL 397 Cb -0.34 -2.83 -0.06 0.00 -1.53 0.00 0.00 36.38 31.62 3hrd s VAL 397 CO 0.41 0.49 1.44 -0.76 -3.33 0.00 0.00 175.10 173.34 3hrd s LEU 398 N 0.33 4.32 -0.02 2.54 1.43 -0.61 -4.90 118.68 121.76 3hrd s LEU 398 Ca -0.02 2.16 0.15 0.00 -1.03 0.00 0.00 54.13 55.40 3hrd s LEU 398 Cb -0.14 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.29 3hrd s LEU 398 CO 0.02 -0.75 0.35 -0.62 0.23 0.00 0.00 176.35 175.58 3hrd n GLU 399 N 5.45 0.53 -3.83 1.70 1.02 -1.26 0.51 120.64 124.75 3hrd n GLU 399 Ca 0.14 -0.13 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3hrd n GLU 399 Cb 0.43 -1.35 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 3hrd n GLU 399 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hrd s ASN 400 N -3.70 -0.06 -0.80 1.62 2.20 -1.26 -4.88 114.94 108.07 3hrd s ASN 400 Ca -0.05 -0.67 -0.03 0.00 -0.94 0.00 0.00 52.86 51.17 3hrd s ASN 400 Cb 0.10 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.92 3hrd s ASN 400 CO 0.63 -1.10 0.61 -0.24 -2.94 0.00 0.00 177.10 174.06 3hrd n SER 401 N -0.98 -4.91 -3.70 3.54 2.88 -1.26 -4.97 113.62 104.23 3hrd n SER 401 Ca -0.05 -0.90 -0.28 0.00 -1.33 0.00 0.00 58.87 56.31 3hrd n SER 401 Cb 0.60 -1.68 -0.16 0.00 -0.75 0.00 0.00 64.21 62.22 3hrd n SER 401 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3hrd s VAL 402 N -2.86 0.48 -0.28 2.46 1.01 -1.26 -5.01 120.40 114.93 3hrd s VAL 402 Ca 0.03 -0.78 0.12 0.00 0.00 0.00 0.00 61.98 61.35 3hrd s VAL 402 Cb -0.00 -1.16 0.47 0.00 0.00 0.00 0.00 36.38 35.69 3hrd s VAL 402 CO 0.89 -0.42 1.16 0.61 0.00 0.00 0.00 175.10 177.35 3hrd n GLY 403 N 5.05 5.01 0.25 4.51 0.00 -1.26 -4.73 105.19 114.02 3hrd n GLY 403 Ca -0.07 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 3hrd n GLY 403 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrd h LEU 404 N 2.31 0.79 -1.54 0.99 5.85 -1.95 -2.80 115.31 118.96 3hrd h LEU 404 Ca 0.22 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3hrd h LEU 404 Cb 1.45 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3hrd h LEU 404 CO 0.59 0.84 -0.20 0.40 -0.34 0.00 0.00 178.44 179.73 3hrd h ILE 405 N 0.71 1.16 -0.20 4.05 2.04 -1.88 -1.76 117.51 121.62 3hrd h ILE 405 Ca 0.16 -0.75 -0.17 0.00 1.00 0.00 0.00 64.86 65.10 3hrd h ILE 405 Cb 0.38 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3hrd h ILE 405 CO 0.01 0.22 -0.55 -0.08 0.00 0.00 0.00 178.15 177.74 3hrd h GLU 406 N 0.04 0.61 -0.38 2.37 4.81 -1.89 -0.64 114.58 119.50 3hrd h GLU 406 Ca 0.01 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 3hrd h GLU 406 Cb 0.38 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3hrd h GLU 406 CO 0.03 1.00 0.13 1.79 -0.73 0.00 0.00 179.01 181.23 3hrd h THR 407 N 0.47 1.21 0.22 0.32 1.35 -1.17 0.14 112.91 115.45 3hrd h THR 407 Ca 0.01 -0.67 0.01 0.00 -0.55 0.00 0.00 66.41 65.20 3hrd h THR 407 Cb 1.11 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 3hrd h THR 407 CO 0.11 0.24 -0.25 -0.07 -0.25 0.00 0.00 175.52 175.30 3hrd h LEU 408 N 0.46 -0.67 0.18 3.87 3.38 -1.19 0.17 115.31 121.51 3hrd h LEU 408 Ca 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3hrd h LEU 408 Cb 0.24 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hrd h LEU 408 CO -0.01 -0.35 -0.09 -0.33 0.09 0.00 0.00 178.44 177.75 3hrd h GLU 409 N -0.51 -0.23 -0.86 1.13 5.08 -1.01 -2.18 114.58 116.00 3hrd h GLU 409 Ca 0.00 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3hrd h GLU 409 Cb 0.48 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 3hrd h GLU 409 CO -0.07 0.01 0.54 0.87 -1.00 0.00 0.00 179.01 179.36 3hrd h LYS 410 N -0.45 0.99 -0.07 2.33 1.79 -0.71 0.29 116.57 120.74 3hrd h LYS 410 Ca -0.02 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3hrd h LYS 410 Cb 0.35 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3hrd h LYS 410 CO 0.04 0.65 0.04 0.00 -1.08 0.00 0.00 179.45 179.10 3hrd h ALA 411 N 1.38 0.08 -0.42 3.86 0.00 -0.60 -0.69 119.26 122.88 3hrd h ALA 411 Ca 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3hrd h ALA 411 Cb 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hrd h ALA 411 CO -0.15 -0.40 0.11 -0.09 0.00 0.00 0.00 179.25 178.72 3hrd h ARG 412 N 0.06 0.66 -0.64 0.00 2.43 -1.06 -0.21 114.38 115.62 3hrd h ARG 412 Ca 0.02 -0.15 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3hrd h ARG 412 Cb 0.03 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3hrd h ARG 412 CO -0.00 0.67 0.36 1.49 -1.51 0.00 0.00 179.97 180.97 3hrd h GLU 413 N 0.53 0.66 -0.40 0.20 4.81 -0.76 0.41 114.58 120.03 3hrd h GLU 413 Ca 0.13 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3hrd h GLU 413 Cb 0.30 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hrd h GLU 413 CO -0.00 0.44 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.44 3hrd h LYS 414 N 0.68 0.75 -0.60 1.92 1.63 -0.86 -2.96 116.57 117.13 3hrd h LYS 414 Ca 0.28 -0.26 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 3hrd h LYS 414 Cb 0.15 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 3hrd h LYS 414 CO -0.16 0.86 0.13 0.00 -3.45 0.00 0.00 179.45 176.82 3hrd h ALA 415 N 0.86 1.10 -0.60 5.00 0.00 -0.57 0.20 119.26 125.26 3hrd h ALA 415 Ca 0.11 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hrd h ALA 415 Cb 0.56 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3hrd h ALA 415 CO 0.03 0.60 0.30 0.28 0.00 0.00 0.00 179.25 180.45 3hrd h VAL 416 N 0.90 0.91 -0.14 0.00 2.07 -0.87 0.29 116.25 119.41 3hrd h VAL 416 Ca 0.19 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3hrd h VAL 416 Cb 0.35 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3hrd h VAL 416 CO 0.00 0.10 -0.31 -0.08 0.02 0.00 0.00 177.57 177.30 3hrd h GLU 417 N 0.55 0.45 0.00 1.57 4.81 -1.23 -2.77 114.58 117.96 3hrd h GLU 417 Ca 0.28 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hrd h GLU 417 Cb 0.23 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hrd h GLU 417 CO -0.21 0.91 -1.42 1.33 -0.73 0.00 0.00 179.01 178.89 3hrd n VAL 418 N -4.39 0.28 -0.57 0.32 0.24 0.64 -4.57 118.33 110.27 3hrd n VAL 418 Ca -0.07 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 3hrd n VAL 418 Cb 0.48 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 3hrd n VAL 418 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3hrd n MET 419 N -2.36 -0.00 -2.11 7.34 0.00 0.91 -5.03 117.12 115.86 3hrd n MET 419 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 57.70 57.28 3hrd n MET 419 Cb 0.54 -0.71 0.00 0.00 0.00 0.00 0.00 33.22 33.04 3hrd n MET 419 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hrd n GLY 420 N -0.05 0.40 0.00 3.17 0.00 -0.62 -4.97 105.19 103.12 3hrd n GLY 420 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3hrd n GLY 420 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30