#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h50 n ALA 2 N 0.00 0.00 -0.09 -0.43 0.00 -1.26 -4.83 120.51 113.90 1h50 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1h50 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1h50 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1h50 n GLU 3 N 5.48 0.00 -0.00 0.00 -0.58 -1.26 -5.01 120.64 119.27 1h50 n GLU 3 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1h50 n GLU 3 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.79 1h50 n GLU 3 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1h50 n LYS 4 N -2.37 1.48 0.13 3.49 5.02 -1.26 -4.57 118.16 120.08 1h50 n LYS 4 Ca 0.00 -0.07 0.19 0.00 -2.02 0.00 0.00 58.31 56.42 1h50 n LYS 4 Cb 0.00 -1.18 0.77 0.00 -0.02 0.00 0.00 35.03 34.60 1h50 n LYS 4 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1h50 h LEU 5 N 0.00 0.00 -3.66 -0.35 3.38 -1.95 -1.78 115.31 110.95 1h50 h LEU 5 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1h50 h LEU 5 Cb 0.43 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.95 1h50 h LEU 5 CO 0.00 0.00 0.12 0.49 0.09 0.00 0.00 178.44 179.14 1h50 n PHE 6 N -3.81 2.15 -4.45 1.13 3.72 -1.26 0.02 117.46 114.96 1h50 n PHE 6 Ca 0.05 -2.04 -0.30 0.00 -0.05 0.00 0.00 57.45 55.11 1h50 n PHE 6 Cb 0.51 -0.74 -0.12 0.00 -0.94 0.00 0.00 39.48 38.19 1h50 n PHE 6 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1h50 s THR 7 N -3.79 2.97 0.78 4.37 -4.23 -0.67 -4.77 115.64 110.29 1h50 s THR 7 Ca 0.52 -1.28 -0.14 0.00 -1.18 0.00 0.00 61.69 59.61 1h50 s THR 7 Cb 0.44 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 72.03 1h50 s THR 7 CO 0.02 0.22 1.21 -0.81 -0.54 0.00 0.00 174.62 174.72 1h50 n PRO 8 N 1.16 0.35 -3.70 3.99 -0.04 -1.17 -3.83 135.00 131.74 1h50 n PRO 8 Ca -0.15 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1h50 n PRO 8 Cb 0.52 -2.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.41 1h50 n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1h50 s LEU 9 N -5.34 0.15 -0.23 1.53 2.96 0.68 -4.91 118.68 113.52 1h50 s LEU 9 Ca 0.75 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.92 1h50 s LEU 9 Cb -0.31 0.73 0.01 0.00 0.50 0.00 0.00 46.19 47.12 1h50 s LEU 9 CO 0.49 -0.19 1.05 -0.75 -1.32 0.00 0.00 176.35 175.62 1h50 s LYS 10 N 1.68 4.26 -0.50 1.98 2.20 -1.26 -0.26 119.74 127.83 1h50 s LYS 10 Ca -0.06 1.37 0.02 0.00 -0.36 0.00 0.00 55.97 56.94 1h50 s LYS 10 Cb -0.11 -3.64 0.13 0.00 -1.51 0.00 0.00 37.83 32.70 1h50 s LYS 10 CO -0.09 -0.63 0.25 0.08 -0.36 0.00 0.00 175.35 174.61 1h50 s VAL 11 N 3.20 2.87 0.00 4.02 1.01 0.12 -4.81 120.40 126.81 1h50 s VAL 11 Ca 0.44 -2.90 0.00 0.00 0.00 0.00 0.00 61.98 59.53 1h50 s VAL 11 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1h50 s VAL 11 CO 0.06 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.01 1h50 n GLY 12 N 3.60 3.89 0.00 4.51 0.00 -1.26 -1.85 105.19 114.07 1h50 n GLY 12 Ca 0.05 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1h50 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h50 n ALA 13 N 12.27 2.12 -2.47 4.61 0.00 0.41 -4.85 120.51 132.60 1h50 n ALA 13 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1h50 n ALA 13 Cb 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 17.98 1h50 n ALA 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1h50 s VAL 14 N -2.73 1.45 -0.16 0.00 -7.23 -0.77 -5.13 120.40 105.83 1h50 s VAL 14 Ca 0.18 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1h50 s VAL 14 Cb 0.15 -2.73 0.03 0.00 0.56 0.00 0.00 36.38 34.39 1h50 s VAL 14 CO 0.37 -0.09 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.03 1h50 s THR 15 N -3.12 1.69 0.10 5.32 2.01 -1.26 0.16 115.64 120.55 1h50 s THR 15 Ca 0.34 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 61.33 1h50 s THR 15 Cb 0.08 -1.60 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 1h50 s THR 15 CO 0.15 0.43 0.74 0.00 -0.69 0.00 0.00 174.62 175.24 1h50 s ALA 16 N 1.43 3.44 -0.90 7.40 0.00 0.63 -4.91 121.76 128.85 1h50 s ALA 16 Ca 0.04 0.28 0.27 0.00 0.00 0.00 0.00 51.96 52.55 1h50 s ALA 16 Cb -0.13 -2.92 1.06 0.00 0.00 0.00 0.00 23.12 21.12 1h50 s ALA 16 CO -0.11 0.22 1.84 -0.35 0.00 0.00 0.00 175.76 177.36 1h50 n PRO 17 N 2.09 0.08 -3.96 0.00 -0.04 -1.26 -0.23 135.00 131.68 1h50 n PRO 17 Ca -0.05 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1h50 n PRO 17 Cb 0.50 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 1h50 n PRO 17 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1h50 s ASN 18 N -3.49 -0.13 -0.19 3.54 2.20 -1.25 -3.07 114.94 112.55 1h50 s ASN 18 Ca 0.12 -0.85 0.15 0.00 -0.94 0.00 0.00 52.86 51.35 1h50 s ASN 18 Cb 0.16 0.63 0.71 0.00 -2.00 0.00 0.00 41.25 40.75 1h50 s ASN 18 CO 0.52 -1.20 1.63 0.54 -2.94 0.00 0.00 177.10 175.65 1h50 n ARG 19 N -0.40 4.10 -3.21 3.55 1.74 0.10 -4.33 116.66 118.20 1h50 n ARG 19 Ca -0.02 -2.99 -0.45 0.00 -0.77 0.00 0.00 57.85 53.61 1h50 n ARG 19 Cb 0.61 -2.05 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 1h50 n ARG 19 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h50 s VAL 20 N -2.56 5.01 0.16 1.55 1.01 -1.25 -1.85 120.40 122.46 1h50 s VAL 20 Ca 0.50 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1h50 s VAL 20 Cb 0.37 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1h50 s VAL 20 CO 0.16 -0.99 0.29 -0.36 0.00 0.00 0.00 175.10 174.20 1h50 s PHE 21 N 2.18 3.48 -0.33 5.22 0.40 -0.01 -0.82 117.98 128.10 1h50 s PHE 21 Ca 0.08 0.11 -0.15 0.00 -0.60 0.00 0.00 56.93 56.37 1h50 s PHE 21 Cb -0.27 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1h50 s PHE 21 CO 0.05 0.51 0.35 1.41 0.70 0.00 0.00 175.22 178.23 1h50 s MET 22 N -3.29 3.64 0.65 0.44 -2.45 -0.29 -0.94 119.30 117.07 1h50 s MET 22 Ca 0.35 -0.36 -0.16 0.00 -1.25 0.00 0.00 55.69 54.26 1h50 s MET 22 Cb -0.11 -3.78 -0.00 0.00 1.25 0.00 0.00 34.83 32.19 1h50 s MET 22 CO 0.29 -0.47 1.17 0.00 1.05 0.00 0.00 175.02 177.06 1h50 s ALA 23 N 1.99 2.39 0.16 4.11 0.00 -0.30 -1.37 121.76 128.74 1h50 s ALA 23 Ca 0.12 0.82 -0.31 0.00 0.00 0.00 0.00 51.96 52.58 1h50 s ALA 23 Cb -0.16 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 1h50 s ALA 23 CO 0.11 -1.40 1.58 -1.25 0.00 0.00 0.00 175.76 174.80 1h50 s PRO 24 N -3.74 4.21 -0.20 0.00 0.04 -1.21 -4.68 135.00 129.43 1h50 s PRO 24 Ca 0.73 2.36 -0.03 0.00 0.04 0.00 0.00 61.00 64.10 1h50 s PRO 24 Cb -0.26 -3.20 0.06 0.00 0.04 0.00 0.00 34.50 31.14 1h50 s PRO 24 CO 0.39 -0.62 0.04 -0.51 0.04 0.00 0.00 177.00 176.34 1h50 s LEU 25 N 1.29 1.20 -0.00 -3.56 1.43 -1.26 -4.87 118.68 112.91 1h50 s LEU 25 Ca 0.70 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1h50 s LEU 25 Cb -0.43 -0.60 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 1h50 s LEU 25 CO 0.31 -0.31 1.56 -0.89 0.23 0.00 0.00 176.35 177.26 1h50 s THR 26 N 1.85 3.48 -0.03 5.49 2.01 -1.26 -4.20 115.64 122.98 1h50 s THR 26 Ca -0.01 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1h50 s THR 26 Cb -0.17 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 1h50 s THR 26 CO -0.08 -0.03 0.14 0.54 -0.69 0.00 0.00 174.62 174.50 1h50 n ARG 27 N 6.12 4.90 -3.98 4.92 5.12 -1.26 -4.75 116.66 127.73 1h50 n ARG 27 Ca 0.15 -0.13 -0.26 0.00 -1.93 0.00 0.00 57.85 55.68 1h50 n ARG 27 Cb 0.42 -0.64 -0.02 0.00 -1.16 0.00 0.00 32.46 31.06 1h50 n ARG 27 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1h50 n LEU 28 N -0.75 -2.16 -0.19 0.55 4.77 -1.26 -0.90 117.00 117.06 1h50 n LEU 28 Ca 0.00 -1.01 0.06 0.00 -0.03 0.00 0.00 56.01 55.03 1h50 n LEU 28 Cb 0.01 -2.20 0.11 0.00 -2.33 0.00 0.00 43.42 39.01 1h50 n LEU 28 CO 0.01 0.43 0.57 0.54 -1.33 0.00 0.00 177.39 177.60 1h50 n ARG 29 N -4.41 2.13 -1.49 3.23 1.74 -1.13 -3.74 116.66 112.99 1h50 n ARG 29 Ca -0.29 -2.24 -0.31 0.00 -0.77 0.00 0.00 57.85 54.25 1h50 n ARG 29 Cb 0.67 -1.37 0.07 0.00 -1.02 0.00 0.00 32.46 30.82 1h50 n ARG 29 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1h50 s SER 30 N -2.05 4.84 0.17 0.55 0.01 -0.16 -4.80 113.70 112.27 1h50 s SER 30 Ca 0.23 1.55 -0.28 0.00 1.31 0.00 0.00 55.95 58.76 1h50 s SER 30 Cb 0.19 -2.34 -0.08 0.00 0.21 0.00 0.00 66.02 64.00 1h50 s SER 30 CO 0.04 -1.78 0.86 -0.63 0.41 0.00 0.00 173.24 172.14 1h50 s ILE 31 N -3.05 4.31 -0.02 1.44 1.01 0.05 -4.67 121.20 120.27 1h50 s ILE 31 Ca 0.60 1.90 0.04 0.00 0.00 0.00 0.00 60.65 63.18 1h50 s ILE 31 Cb -0.15 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 1h50 s ILE 31 CO 0.55 0.47 -0.14 -1.61 0.00 0.00 0.00 174.94 174.21 1h50 s GLU 32 N -0.89 1.27 0.66 2.79 2.02 -1.26 -0.48 118.70 122.80 1h50 s GLU 32 Ca 0.40 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.74 1h50 s GLU 32 Cb -0.24 -1.19 -0.00 0.00 0.10 0.00 0.00 34.13 32.80 1h50 s GLU 32 CO 0.29 0.27 1.09 -1.25 0.02 0.00 0.00 175.26 175.67 1h50 s PRO 33 N -0.18 2.90 0.00 0.39 0.04 -1.26 -4.97 135.00 131.92 1h50 s PRO 33 Ca 0.02 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1h50 s PRO 33 Cb -0.07 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1h50 s PRO 33 CO 0.00 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.30 1h50 n GLY 34 N -0.93 2.47 3.91 0.56 0.00 -1.26 -4.65 105.19 105.29 1h50 n GLY 34 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1h50 n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h50 n ASP 35 N 0.00 -0.68 -4.74 1.61 8.00 0.36 -4.75 116.55 116.35 1h50 n ASP 35 Ca 0.00 -0.99 -0.36 0.00 0.71 0.00 0.00 54.79 54.15 1h50 n ASP 35 Cb 0.00 -3.16 -0.07 0.00 -0.02 0.00 0.00 41.12 37.87 1h50 n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h50 s ILE 36 N -3.90 5.31 0.74 0.53 1.01 -0.36 -1.97 121.20 122.56 1h50 s ILE 36 Ca 0.03 0.53 -0.15 0.00 0.00 0.00 0.00 60.65 61.06 1h50 s ILE 36 Cb -0.01 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.89 1h50 s ILE 36 CO 0.88 0.41 1.24 -2.84 0.00 0.00 0.00 174.94 174.63 1h50 s PRO 37 N 0.33 2.00 0.37 2.79 0.02 -1.26 -0.77 135.00 138.48 1h50 s PRO 37 Ca 0.16 1.86 0.07 0.00 0.02 0.00 0.00 61.00 63.12 1h50 s PRO 37 Cb -0.13 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 1h50 s PRO 37 CO 0.04 -1.97 -0.02 0.95 -0.33 0.00 0.00 177.00 175.67 1h50 s THR 38 N -1.87 1.97 0.37 0.99 -4.23 -1.26 -4.81 115.64 106.81 1h50 s THR 38 Ca 0.77 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 1h50 s THR 38 Cb -0.32 -2.83 0.22 0.00 1.34 0.00 0.00 72.50 70.92 1h50 s THR 38 CO 0.46 -0.09 1.98 -0.65 -0.54 0.00 0.00 174.62 175.79 1h50 h PRO 39 N 1.92 0.57 -0.49 3.99 0.11 -1.96 -0.67 132.00 135.46 1h50 h PRO 39 Ca -0.43 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1h50 h PRO 39 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1h50 h PRO 39 CO 0.76 0.45 0.23 1.25 -0.21 0.00 0.00 178.00 180.48 1h50 h LEU 40 N 0.57 0.65 -1.16 2.35 5.85 -1.98 -0.59 115.31 121.00 1h50 h LEU 40 Ca 0.14 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1h50 h LEU 40 Cb 0.08 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1h50 h LEU 40 CO -0.02 0.60 0.18 0.24 -0.34 0.00 0.00 178.44 179.10 1h50 h MET 41 N 0.65 0.76 -0.74 1.25 2.86 -1.69 -1.34 114.93 116.69 1h50 h MET 41 Ca 0.17 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1h50 h MET 41 Cb 0.13 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1h50 h MET 41 CO -0.02 0.65 0.38 0.78 1.06 0.00 0.00 176.91 179.77 1h50 h GLY 42 N 0.91 1.12 0.97 8.32 0.00 -0.22 -1.64 103.07 112.53 1h50 h GLY 42 Ca 0.18 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1h50 h GLY 42 CO -0.01 0.51 0.02 -2.09 0.00 0.00 0.00 176.54 174.97 1h50 h GLU 43 N 1.03 0.77 -0.31 4.80 4.81 -0.61 -1.19 114.58 123.88 1h50 h GLU 43 Ca 0.26 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1h50 h GLU 43 Cb 0.07 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1h50 h GLU 43 CO -0.04 0.82 0.02 -0.92 -0.73 0.00 0.00 179.01 178.16 1h50 h TYR 44 N 0.62 0.02 -0.47 0.92 3.20 -0.94 -0.07 116.97 120.25 1h50 h TYR 44 Ca 0.13 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 1h50 h TYR 44 Cb 0.46 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1h50 h TYR 44 CO 0.03 -0.03 -0.20 1.88 -1.64 0.00 0.00 178.16 178.20 1h50 h TYR 45 N 0.11 1.08 -0.68 -3.82 0.05 -1.22 -3.02 116.97 109.47 1h50 h TYR 45 Ca 0.15 -0.25 -0.03 0.00 0.05 0.00 0.00 58.73 58.65 1h50 h TYR 45 Cb 0.19 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1h50 h TYR 45 CO -0.21 1.06 0.31 -0.09 -1.05 0.00 0.00 178.16 178.18 1h50 h ARG 46 N 0.83 0.98 0.00 4.88 2.43 -0.74 -1.50 114.38 121.25 1h50 h ARG 46 Ca 0.11 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1h50 h ARG 46 Cb 0.76 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1h50 h ARG 46 CO 0.06 0.76 -0.05 1.96 -1.51 0.00 0.00 179.97 181.19 1h50 h GLN 47 N 0.97 0.00 -0.46 0.20 4.20 -0.89 -2.48 115.11 116.65 1h50 h GLN 47 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1h50 h GLN 47 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1h50 h GLN 47 CO -0.03 0.05 0.00 0.54 -0.67 0.00 0.00 178.83 178.73 1h50 n ARG 48 N -3.49 3.34 0.00 1.46 1.74 -0.60 -4.44 116.66 114.68 1h50 n ARG 48 Ca -0.02 -2.68 0.02 0.00 -0.77 0.00 0.00 57.85 54.40 1h50 n ARG 48 Cb 0.17 -1.74 0.10 0.00 -1.02 0.00 0.00 32.46 29.98 1h50 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h50 n ALA 49 N 0.48 1.23 1.48 7.54 0.00 -0.94 -2.16 120.51 128.14 1h50 n ALA 49 Ca 0.21 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.78 1h50 n ALA 49 Cb 0.79 -1.08 0.69 0.00 0.00 0.00 0.00 19.45 19.85 1h50 n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1h50 n SER 50 N -1.48 0.30 -4.74 0.00 3.41 -1.26 -4.00 113.62 105.84 1h50 n SER 50 Ca 0.01 -0.52 -0.37 0.00 -0.26 0.00 0.00 58.87 57.73 1h50 n SER 50 Cb 0.05 -0.13 0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1h50 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h50 s ALA 51 N -2.44 2.57 0.33 7.33 0.00 -0.92 -4.87 121.76 123.76 1h50 s ALA 51 Ca 0.31 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.54 1h50 s ALA 51 Cb 0.20 -3.54 0.67 0.00 0.00 0.00 0.00 23.12 20.45 1h50 s ALA 51 CO 0.46 -1.44 1.91 0.78 0.00 0.00 0.00 175.76 177.46 1h50 h GLY 52 N 0.94 1.20 -5.09 0.00 0.00 -1.17 -3.42 103.07 95.52 1h50 h GLY 52 Ca -0.51 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 1h50 h GLY 52 CO 0.55 0.22 0.00 -2.27 0.00 0.00 0.00 176.54 175.04 1h50 s LEU 53 N -9.87 -0.67 -0.19 3.11 2.96 -1.26 -4.43 118.68 108.33 1h50 s LEU 53 Ca -0.11 1.37 -0.10 0.00 -0.22 0.00 0.00 54.13 55.07 1h50 s LEU 53 Cb 0.20 2.22 -0.05 0.00 0.50 0.00 0.00 46.19 49.06 1h50 s LEU 53 CO 0.79 -0.23 0.14 -0.63 -1.32 0.00 0.00 176.35 175.10 1h50 s ILE 54 N 1.05 5.41 -0.23 6.68 1.01 -0.15 -1.13 121.20 133.84 1h50 s ILE 54 Ca -0.06 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 1h50 s ILE 54 Cb -0.05 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1h50 s ILE 54 CO -0.10 0.45 -0.02 -0.63 0.00 0.00 0.00 174.94 174.64 1h50 s ILE 55 N 0.29 3.56 1.00 2.92 1.01 -0.47 -0.08 121.20 129.43 1h50 s ILE 55 Ca 0.09 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1h50 s ILE 55 Cb -0.11 -2.64 0.19 0.00 0.01 0.00 0.00 42.46 39.90 1h50 s ILE 55 CO -0.01 0.38 1.08 -0.94 0.00 0.00 0.00 174.94 175.45 1h50 s SER 56 N 1.50 2.51 0.75 3.58 1.04 0.53 -3.34 113.70 120.27 1h50 s SER 56 Ca 0.06 1.37 -0.14 0.00 0.48 0.00 0.00 55.95 57.71 1h50 s SER 56 Cb -0.15 -2.06 0.05 0.00 0.10 0.00 0.00 66.02 63.97 1h50 s SER 56 CO -0.02 -3.23 1.20 -1.83 0.98 0.00 0.00 173.24 170.35 1h50 s GLU 57 N -4.84 2.04 0.21 4.02 -1.05 -1.26 -4.04 118.70 113.78 1h50 s GLU 57 Ca 0.65 1.74 -0.32 0.00 -0.15 0.00 0.00 54.97 56.89 1h50 s GLU 57 Cb -0.20 -1.82 -0.13 0.00 -0.44 0.00 0.00 34.13 31.54 1h50 s GLU 57 CO 0.59 -1.91 1.53 0.00 0.95 0.00 0.00 175.26 176.42 1h50 n ALA 58 N -2.86 1.54 -3.12 -0.84 0.00 -1.26 -4.21 120.51 109.76 1h50 n ALA 58 Ca 0.13 0.42 -0.27 0.00 0.00 0.00 0.00 53.44 53.72 1h50 n ALA 58 Cb 0.50 -2.35 -0.16 0.00 0.00 0.00 0.00 19.45 17.44 1h50 n ALA 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1h50 s THR 59 N 0.44 1.48 0.30 0.00 2.01 0.95 -4.41 115.64 116.41 1h50 s THR 59 Ca 0.73 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1h50 s THR 59 Cb -0.63 -1.29 -0.11 0.00 0.01 0.00 0.00 72.50 70.48 1h50 s THR 59 CO 0.43 0.43 1.52 -1.10 -0.69 0.00 0.00 174.62 175.21 1h50 s GLN 60 N 0.27 4.17 0.17 4.92 1.11 0.16 -1.44 119.66 129.04 1h50 s GLN 60 Ca -0.10 2.48 0.25 0.00 0.01 0.00 0.00 55.36 58.00 1h50 s GLN 60 Cb -0.14 -3.04 0.49 0.00 -1.01 0.00 0.00 33.01 29.31 1h50 s GLN 60 CO 0.04 -0.53 1.48 -0.84 0.01 0.00 0.00 175.29 175.45 1h50 h ILE 61 N 3.34 0.00 -2.91 1.08 3.07 -1.86 -0.91 117.51 119.32 1h50 h ILE 61 Ca -0.47 -0.54 0.07 0.00 1.55 0.00 0.00 64.86 65.46 1h50 h ILE 61 Cb 1.22 1.29 -0.04 0.00 -0.27 0.00 0.00 36.82 39.02 1h50 h ILE 61 CO 0.76 0.00 0.28 -0.94 -1.05 0.00 0.00 178.15 177.19 1h50 s SER 62 N -4.51 -0.19 0.20 2.16 1.04 -1.26 -4.57 113.70 106.57 1h50 s SER 62 Ca 0.07 -0.70 -0.05 0.00 0.48 0.00 0.00 55.95 55.76 1h50 s SER 62 Cb 0.12 0.72 0.15 0.00 0.10 0.00 0.00 66.02 67.11 1h50 s SER 62 CO 0.68 -1.36 1.58 0.00 0.98 0.00 0.00 173.24 175.12 1h50 h ALA 63 N 2.00 0.80 -0.05 5.32 0.00 -1.98 -2.61 119.26 122.74 1h50 h ALA 63 Ca -0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1h50 h ALA 63 Cb 1.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1h50 h ALA 63 CO 0.27 0.65 -0.04 0.37 0.00 0.00 0.00 179.25 180.49 1h50 h GLN 64 N 0.62 0.07 0.00 0.00 4.15 -1.96 -2.21 115.11 115.79 1h50 h GLN 64 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1h50 h GLN 64 Cb 0.85 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1h50 h GLN 64 CO 0.07 0.13 0.00 0.00 -1.93 0.00 0.00 178.83 177.10 1h50 h ALA 65 N 1.89 1.00 -2.73 3.38 0.00 -1.80 -3.45 119.26 117.55 1h50 h ALA 65 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.40 1h50 h ALA 65 Cb 0.13 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.99 1h50 h ALA 65 CO 0.01 0.00 0.89 0.21 0.00 0.00 0.00 179.25 180.35 1h50 s LYS 66 N -3.70 4.17 0.00 0.00 2.20 -0.83 -1.49 119.74 120.09 1h50 s LYS 66 Ca -0.01 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 1h50 s LYS 66 Cb 0.10 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1h50 s LYS 66 CO 0.41 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1h50 n GLY 67 N 2.84 0.69 2.99 5.54 0.00 -1.26 -4.73 105.19 111.26 1h50 n GLY 67 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1h50 n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h50 s TYR 68 N -0.17 1.21 0.10 1.61 1.51 -1.26 -4.41 117.35 115.93 1h50 s TYR 68 Ca 0.00 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.35 1h50 s TYR 68 Cb 0.00 -0.91 -0.07 0.00 -0.11 0.00 0.00 41.96 40.87 1h50 s TYR 68 CO 0.00 -0.22 1.36 0.00 -1.11 0.00 0.00 175.55 175.58 1h50 s ALA 69 N 0.63 3.56 0.00 3.71 0.00 0.30 -2.56 121.76 127.39 1h50 s ALA 69 Ca -0.12 1.06 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1h50 s ALA 69 Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1h50 s ALA 69 CO 0.02 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1h50 n GLY 70 N 3.46 1.66 3.74 0.00 0.00 -1.26 -4.76 105.19 108.03 1h50 n GLY 70 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1h50 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h50 s ALA 71 N -2.40 3.29 0.70 4.61 0.00 -1.06 -0.98 121.76 125.91 1h50 s ALA 71 Ca 0.00 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 1h50 s ALA 71 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1h50 s ALA 71 CO 0.00 0.04 1.08 -1.25 0.00 0.00 0.00 175.76 175.63 1h50 s PRO 72 N -0.49 2.92 0.40 0.00 0.04 -1.26 -4.79 135.00 131.82 1h50 s PRO 72 Ca 0.45 0.60 0.07 0.00 0.04 0.00 0.00 61.00 62.16 1h50 s PRO 72 Cb -0.25 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1h50 s PRO 72 CO 0.31 -1.02 0.01 0.20 0.04 0.00 0.00 177.00 176.54 1h50 s GLY 73 N -4.19 2.48 -0.29 0.56 0.00 -0.83 -0.66 107.32 104.38 1h50 s GLY 73 Ca 0.58 -2.28 0.20 0.00 0.00 0.00 0.00 44.72 43.22 1h50 s GLY 73 CO 0.53 -2.08 1.07 -0.10 0.00 0.00 0.00 173.10 172.52 1h50 n LEU 74 N -0.95 1.31 0.00 0.66 7.94 -0.35 -4.77 117.00 120.85 1h50 n LEU 74 Ca -0.05 -3.32 0.00 0.00 -1.11 0.00 0.00 56.01 51.53 1h50 n LEU 74 Cb 0.67 0.43 0.00 0.00 0.53 0.00 0.00 43.42 45.05 1h50 n LEU 74 CO 0.48 1.29 -0.49 0.00 -1.11 0.00 0.00 177.39 177.57 1h50 n HIS 75 N -0.42 0.00 -3.89 1.96 1.44 -1.26 -4.70 115.22 108.35 1h50 n HIS 75 Ca 0.07 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.57 1h50 n HIS 75 Cb 0.81 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.89 1h50 n HIS 75 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1h50 s SER 76 N -2.04 5.60 0.18 4.39 1.04 -1.26 -5.00 113.70 116.61 1h50 s SER 76 Ca 0.00 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.01 1h50 s SER 76 Cb 0.00 -1.27 0.10 0.00 0.10 0.00 0.00 66.02 64.94 1h50 s SER 76 CO 0.00 -0.22 1.84 -0.65 0.98 0.00 0.00 173.24 175.19 1h50 h PRO 77 N 1.27 0.73 -0.50 4.02 0.11 -1.99 -1.05 132.00 134.59 1h50 h PRO 77 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1h50 h PRO 77 Cb 1.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1h50 h PRO 77 CO 0.59 0.49 0.05 0.93 -0.21 0.00 0.00 178.00 179.85 1h50 h GLU 78 N 0.76 0.80 -0.20 1.05 3.07 -1.97 -0.99 114.58 117.10 1h50 h GLU 78 Ca 0.22 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 1h50 h GLU 78 Cb -0.06 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1h50 h GLU 78 CO -0.06 0.77 -0.07 1.96 -1.40 0.00 0.00 179.01 180.21 1h50 h GLN 79 N 0.76 0.40 -0.48 2.33 4.20 -1.79 -1.76 115.11 118.77 1h50 h GLN 79 Ca 0.16 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1h50 h GLN 79 Cb 0.38 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1h50 h GLN 79 CO 0.01 0.68 0.26 0.82 -0.67 0.00 0.00 178.83 179.92 1h50 h ILE 80 N 0.11 0.99 -0.78 2.54 2.04 -0.97 -0.69 117.51 120.75 1h50 h ILE 80 Ca 0.05 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1h50 h ILE 80 Cb 0.54 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1h50 h ILE 80 CO 0.02 0.09 0.49 0.00 0.00 0.00 0.00 178.15 178.76 1h50 h ALA 81 N 1.24 0.99 -0.12 1.87 0.00 -1.11 -1.60 119.26 120.53 1h50 h ALA 81 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1h50 h ALA 81 Cb 0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1h50 h ALA 81 CO -0.12 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.59 1h50 h ALA 82 N 1.27 0.16 -0.40 0.00 0.00 -0.81 -2.97 119.26 116.51 1h50 h ALA 82 Ca 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1h50 h ALA 82 Cb -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1h50 h ALA 82 CO -0.06 -0.18 0.21 -1.49 0.00 0.00 0.00 179.25 177.73 1h50 h TRP 83 N -0.02 0.52 -0.45 0.00 -0.00 -0.98 -1.96 115.95 113.06 1h50 h TRP 83 Ca 0.04 -0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.95 1h50 h TRP 83 Cb 0.29 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.25 1h50 h TRP 83 CO 0.02 0.37 0.30 0.87 -0.00 0.00 0.00 178.44 180.00 1h50 h LYS 84 N 0.55 0.54 -0.11 0.49 1.57 -1.13 0.29 116.57 118.76 1h50 h LYS 84 Ca 0.14 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 1h50 h LYS 84 Cb 0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1h50 h LYS 84 CO -0.02 0.36 -0.73 0.87 -0.57 0.00 0.00 179.45 179.36 1h50 h LYS 85 N 0.55 0.53 -0.27 3.15 1.57 -1.31 -2.21 116.57 118.59 1h50 h LYS 85 Ca 0.18 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1h50 h LYS 85 Cb 0.03 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1h50 h LYS 85 CO -0.04 1.05 -0.21 0.82 -0.57 0.00 0.00 179.45 180.50 1h50 h ILE 86 N 0.37 1.31 -0.25 1.86 2.04 -0.98 -1.66 117.51 120.19 1h50 h ILE 86 Ca -0.03 -1.35 -0.12 0.00 1.00 0.00 0.00 64.86 64.36 1h50 h ILE 86 Cb 1.31 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1h50 h ILE 86 CO 0.13 0.43 -0.35 0.71 0.00 0.00 0.00 178.15 179.07 1h50 h THR 87 N 0.34 1.29 -0.72 -0.27 1.35 -1.04 -2.36 112.91 111.50 1h50 h THR 87 Ca 0.05 -1.48 -0.05 0.00 -0.55 0.00 0.00 66.41 64.38 1h50 h THR 87 Cb 0.75 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 1h50 h THR 87 CO 0.05 0.47 0.25 0.00 -0.25 0.00 0.00 175.52 176.04 1h50 h ALA 88 N 1.15 1.08 -0.63 6.62 0.00 -1.32 -0.49 119.26 125.67 1h50 h ALA 88 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1h50 h ALA 88 Cb 0.83 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1h50 h ALA 88 CO 0.07 0.64 0.20 0.78 0.00 0.00 0.00 179.25 180.93 1h50 h GLY 89 N 1.10 1.06 1.03 0.00 0.00 -1.04 0.54 103.07 105.77 1h50 h GLY 89 Ca 0.24 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1h50 h GLY 89 CO -0.01 0.59 0.16 -2.08 0.00 0.00 0.00 176.54 175.19 1h50 h VAL 90 N 0.91 1.25 -0.01 4.60 2.07 -1.01 -2.65 116.25 121.43 1h50 h VAL 90 Ca 0.20 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 1h50 h VAL 90 Cb 0.29 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1h50 h VAL 90 CO -0.01 0.35 -0.53 0.45 0.02 0.00 0.00 177.57 177.85 1h50 h HIS 91 N 0.92 0.02 0.00 1.57 3.86 -0.85 0.23 115.15 120.90 1h50 h HIS 91 Ca 0.20 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1h50 h HIS 91 Cb 0.35 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1h50 h HIS 91 CO 0.03 0.55 -0.11 0.00 0.86 0.00 0.00 177.93 179.25 1h50 h ALA 92 N 1.45 1.37 -0.68 2.45 0.00 -0.54 0.14 119.26 123.45 1h50 h ALA 92 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1h50 h ALA 92 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1h50 h ALA 92 CO 0.07 0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.85 1h50 n GLU 93 N -3.76 2.88 -2.36 0.00 -0.58 -0.82 -4.94 120.64 111.06 1h50 n GLU 93 Ca -0.02 -2.58 -0.14 0.00 -0.42 0.00 0.00 57.16 54.00 1h50 n GLU 93 Cb 0.22 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1h50 n GLU 93 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1h50 n ASP 94 N 1.43 -4.38 -4.54 1.62 8.00 0.50 -4.82 116.55 114.37 1h50 n ASP 94 Ca 0.24 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.52 1h50 n ASP 94 Cb 0.66 -3.49 0.05 0.00 -0.02 0.00 0.00 41.12 38.32 1h50 n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h50 n GLY 95 N -1.06 2.02 3.02 0.44 0.00 0.01 -4.98 105.19 104.63 1h50 n GLY 95 Ca -0.15 -2.22 -0.20 0.00 0.00 0.00 0.00 46.02 43.45 1h50 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h50 s ARG 96 N -4.26 0.86 -0.02 1.61 0.52 -1.26 -4.36 118.95 112.04 1h50 s ARG 96 Ca 0.51 -0.34 0.01 0.00 -0.52 0.00 0.00 55.73 55.39 1h50 s ARG 96 Cb -0.04 -0.82 0.02 0.00 0.52 0.00 0.00 34.95 34.62 1h50 s ARG 96 CO 0.32 0.18 -0.02 -1.50 0.02 0.00 0.00 175.30 174.30 1h50 s ILE 97 N -0.08 0.24 0.05 1.52 2.07 -1.26 -0.97 121.20 122.77 1h50 s ILE 97 Ca 0.01 -0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1h50 s ILE 97 Cb -0.06 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.22 1h50 s ILE 97 CO -0.00 0.12 -0.05 0.00 -1.91 0.00 0.00 174.94 173.11 1h50 s ALA 98 N 0.58 3.11 -0.19 1.50 0.00 0.88 -1.05 121.76 126.59 1h50 s ALA 98 Ca -0.06 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 1h50 s ALA 98 Cb -0.09 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1h50 s ALA 98 CO -0.01 0.65 0.08 0.54 0.00 0.00 0.00 175.76 177.02 1h50 s VAL 99 N -1.15 4.85 -0.23 0.00 0.11 -0.83 -0.34 120.40 122.81 1h50 s VAL 99 Ca 0.21 -0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.04 1h50 s VAL 99 Cb -0.11 -3.20 -0.02 0.00 -1.53 0.00 0.00 36.38 31.52 1h50 s VAL 99 CO 0.12 0.44 0.65 -1.58 -3.33 0.00 0.00 175.10 171.41 1h50 s GLN 100 N 0.52 4.17 -0.14 1.54 0.74 -1.26 -0.57 119.66 124.66 1h50 s GLN 100 Ca 0.04 0.63 -0.05 0.00 0.05 0.00 0.00 55.36 56.02 1h50 s GLN 100 Cb -0.13 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 1h50 s GLN 100 CO 0.01 -0.34 0.05 -0.51 -0.55 0.00 0.00 175.29 173.94 1h50 s LEU 101 N 2.27 3.80 0.21 3.68 1.43 0.23 -0.03 118.68 130.27 1h50 s LEU 101 Ca 0.28 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1h50 s LEU 101 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1h50 s LEU 101 CO 0.09 0.28 0.25 -1.66 0.23 0.00 0.00 176.35 175.55 1h50 s TRP 102 N -0.30 0.83 -0.06 0.29 1.48 -0.52 -1.01 118.94 119.65 1h50 s TRP 102 Ca 0.08 -1.11 -0.01 0.00 -1.06 0.00 0.00 56.10 54.00 1h50 s TRP 102 Cb -0.12 -0.27 0.03 0.00 -1.16 0.00 0.00 33.47 31.94 1h50 s TRP 102 CO 0.02 -0.76 -0.01 -1.58 -4.06 0.00 0.00 176.95 170.56 1h50 s HIS 103 N -4.10 0.66 -0.15 1.66 2.46 -1.26 -2.68 115.29 111.88 1h50 s HIS 103 Ca 0.31 -0.16 0.29 0.00 0.47 0.00 0.00 55.06 55.97 1h50 s HIS 103 Cb 0.04 -0.75 0.98 0.00 -0.13 0.00 0.00 32.58 32.72 1h50 s HIS 103 CO 0.10 -0.29 1.84 1.79 -2.47 0.00 0.00 174.74 175.70 1h50 h THR 104 N 6.29 0.00 0.00 0.89 1.35 -1.58 -0.38 112.91 119.48 1h50 h THR 104 Ca -0.24 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1h50 h THR 104 Cb 1.13 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1h50 h THR 104 CO 0.31 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1h50 n GLY 105 N 0.43 3.50 0.00 5.82 0.00 -1.26 -2.07 105.19 111.62 1h50 n GLY 105 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1h50 n GLY 105 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1h50 n ARG 106 N 14.00 0.05 -2.66 1.61 1.85 -1.04 -3.96 116.66 126.51 1h50 n ARG 106 Ca 0.00 0.23 -0.43 0.00 -1.00 0.00 0.00 57.85 56.65 1h50 n ARG 106 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 1h50 n ARG 106 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1h50 n ILE 107 N -1.45 4.35 -3.49 8.89 2.08 -0.88 -4.55 119.36 124.31 1h50 n ILE 107 Ca 0.04 -4.62 -0.05 0.00 0.56 0.00 0.00 62.75 58.68 1h50 n ILE 107 Cb 0.15 -2.40 0.01 0.00 -0.75 0.00 0.00 39.64 36.65 1h50 n ILE 107 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1h50 n SER 108 N 4.54 -1.15 -3.83 4.38 2.88 -1.25 -4.47 113.62 114.71 1h50 n SER 108 Ca 0.38 -1.88 -0.12 0.00 -1.33 0.00 0.00 58.87 55.91 1h50 n SER 108 Cb 0.39 1.93 -0.13 0.00 -0.75 0.00 0.00 64.21 65.65 1h50 n SER 108 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1h50 s HIS 109 N -5.11 -0.14 0.44 0.66 2.46 -1.26 -2.02 115.29 110.32 1h50 s HIS 109 Ca 0.10 0.33 0.17 0.00 0.47 0.00 0.00 55.06 56.13 1h50 s HIS 109 Cb -0.02 0.04 1.10 0.00 -0.13 0.00 0.00 32.58 33.57 1h50 s HIS 109 CO 0.07 -0.07 1.94 0.66 -2.47 0.00 0.00 174.74 174.88 1h50 h SER 110 N 5.97 0.32 0.15 9.88 4.64 -1.87 -1.99 113.55 130.66 1h50 h SER 110 Ca -0.25 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1h50 h SER 110 Cb 1.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1h50 h SER 110 CO 0.43 0.17 0.00 0.77 -0.87 0.00 0.00 176.83 177.34 1h50 h SER 111 N 0.35 0.00 -0.10 4.97 4.64 -1.86 -1.85 113.55 119.71 1h50 h SER 111 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1h50 h SER 111 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1h50 h SER 111 CO -0.09 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.17 1h50 n ILE 112 N -2.76 1.32 -3.35 0.95 -5.35 -0.75 -4.87 119.36 104.56 1h50 n ILE 112 Ca -0.02 -1.36 -0.26 0.00 -0.27 0.00 0.00 62.75 60.84 1h50 n ILE 112 Cb 0.09 0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.24 1h50 n ILE 112 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1h50 s GLN 113 N -1.59 3.54 0.24 6.28 -1.52 -0.70 -4.86 119.66 121.05 1h50 s GLN 113 Ca 0.16 -0.19 -0.31 0.00 -1.95 0.00 0.00 55.36 53.07 1h50 s GLN 113 Cb 0.12 -2.66 -0.11 0.00 -0.22 0.00 0.00 33.01 30.14 1h50 s GLN 113 CO 0.05 0.17 1.62 -2.14 -0.25 0.00 0.00 175.29 174.73 1h50 s PRO 114 N -4.01 4.15 0.00 2.91 0.02 -1.26 -1.27 135.00 135.54 1h50 s PRO 114 Ca 0.41 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.95 1h50 s PRO 114 Cb -0.10 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1h50 s PRO 114 CO 0.34 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1h50 n GLY 115 N 3.08 0.57 2.26 0.52 0.00 -1.26 -3.07 105.19 107.30 1h50 n GLY 115 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1h50 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h50 n GLY 116 N -1.94 0.91 3.95 -0.02 0.00 -0.39 -5.01 105.19 102.68 1h50 n GLY 116 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1h50 n GLY 116 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h50 s GLN 117 N -3.13 2.38 0.43 1.61 -1.52 -1.17 -4.59 119.66 113.66 1h50 s GLN 117 Ca 0.00 -0.47 -0.26 0.00 -1.95 0.00 0.00 55.36 52.68 1h50 s GLN 117 Cb 0.00 -2.31 -0.08 0.00 -0.22 0.00 0.00 33.01 30.39 1h50 s GLN 117 CO 0.00 -0.99 1.34 0.00 -0.25 0.00 0.00 175.29 175.39 1h50 s ALA 118 N -3.03 3.23 0.91 6.09 0.00 -1.26 -4.29 121.76 123.41 1h50 s ALA 118 Ca 0.59 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.73 1h50 s ALA 118 Cb -0.11 -3.52 0.14 0.00 0.00 0.00 0.00 23.12 19.63 1h50 s ALA 118 CO 0.42 -0.95 1.09 -1.25 0.00 0.00 0.00 175.76 175.07 1h50 s PRO 119 N -2.34 1.15 0.31 0.00 0.04 -1.26 -4.67 135.00 128.22 1h50 s PRO 119 Ca 0.59 0.77 0.07 0.00 0.04 0.00 0.00 61.00 62.47 1h50 s PRO 119 Cb -0.40 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1h50 s PRO 119 CO 0.51 -2.30 0.28 0.14 0.04 0.00 0.00 177.00 175.67 1h50 s VAL 120 N -2.94 3.95 0.17 -0.36 -7.23 -1.26 -0.24 120.40 112.49 1h50 s VAL 120 Ca 0.64 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.36 1h50 s VAL 120 Cb -0.18 -3.31 0.04 0.00 0.56 0.00 0.00 36.38 33.50 1h50 s VAL 120 CO 0.57 -0.23 0.58 -0.24 -0.31 0.00 0.00 175.10 175.47 1h50 n SER 121 N -1.34 -1.24 -0.13 4.85 2.88 -0.68 -2.50 113.62 115.46 1h50 n SER 121 Ca -0.04 -1.75 -0.11 0.00 -1.33 0.00 0.00 58.87 55.64 1h50 n SER 121 Cb 0.59 2.03 -0.02 0.00 -0.75 0.00 0.00 64.21 66.06 1h50 n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h50 h ALA 122 N 2.00 0.51 -2.29 -1.46 0.00 -1.86 -0.47 119.26 115.69 1h50 h ALA 122 Ca -0.19 -0.30 -0.33 0.00 0.00 0.00 0.00 54.91 54.09 1h50 h ALA 122 Cb 0.76 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.27 1h50 h ALA 122 CO 0.24 0.36 -0.64 -1.12 0.00 0.00 0.00 179.25 178.10 1h50 s SER 123 N -6.31 1.28 -1.31 0.00 0.01 -1.26 -4.31 113.70 101.80 1h50 s SER 123 Ca -0.13 -1.28 -0.09 0.00 1.31 0.00 0.00 55.95 55.77 1h50 s SER 123 Cb 0.10 0.13 0.14 0.00 0.21 0.00 0.00 66.02 66.59 1h50 s SER 123 CO 0.80 -0.64 2.05 0.00 0.41 0.00 0.00 173.24 175.87 1h50 n ALA 124 N -0.37 5.78 -3.96 1.44 0.00 -1.26 -4.39 120.51 117.75 1h50 n ALA 124 Ca -0.03 -4.21 -0.29 0.00 0.00 0.00 0.00 53.44 48.91 1h50 n ALA 124 Cb 0.65 -2.98 -0.17 0.00 0.00 0.00 0.00 19.45 16.95 1h50 n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h50 s LEU 125 N -0.43 1.47 0.41 0.00 1.43 -1.26 -4.85 118.68 115.44 1h50 s LEU 125 Ca 0.44 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 1h50 s LEU 125 Cb 0.12 -1.03 -0.09 0.00 0.03 0.00 0.00 46.19 45.22 1h50 s LEU 125 CO -0.02 -0.08 1.41 0.21 0.23 0.00 0.00 176.35 178.09 1h50 s ASN 126 N 1.57 6.15 0.22 2.29 2.47 -1.26 -4.54 114.94 121.83 1h50 s ASN 126 Ca 0.05 2.89 0.24 0.00 0.42 0.00 0.00 52.86 56.45 1h50 s ASN 126 Cb -0.13 -2.65 0.92 0.00 -1.45 0.00 0.00 41.25 37.94 1h50 s ASN 126 CO -0.09 -0.99 1.73 0.00 -3.72 0.00 0.00 177.10 174.03 1h50 n ALA 127 N 0.11 1.88 -3.81 1.71 0.00 -1.26 -4.91 120.51 114.23 1h50 n ALA 127 Ca 0.03 0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.24 1h50 n ALA 127 Cb 0.41 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.49 1h50 n ALA 127 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h50 n ASN 128 N -2.17 -4.16 -0.08 0.00 3.02 -1.26 -4.77 115.26 105.83 1h50 n ASN 128 Ca 0.03 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1h50 n ASN 128 Cb 0.29 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 1h50 n ASN 128 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1h50 n THR 129 N -4.63 0.00 -4.28 3.41 5.66 -1.26 -5.03 114.28 108.15 1h50 n THR 129 Ca -0.05 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.80 1h50 n THR 129 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 1h50 n THR 129 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1h50 s ARG 130 N 0.75 1.14 0.42 1.09 0.52 -1.26 -1.43 118.95 120.18 1h50 s ARG 130 Ca 0.00 -1.51 0.04 0.00 -0.52 0.00 0.00 55.73 53.74 1h50 s ARG 130 Cb 0.00 -0.68 -0.02 0.00 0.52 0.00 0.00 34.95 34.77 1h50 s ARG 130 CO 0.00 0.05 0.12 -0.08 0.02 0.00 0.00 175.30 175.42 1h50 s THR 131 N -3.31 0.63 -0.18 0.02 -1.32 0.28 -4.84 115.64 106.92 1h50 s THR 131 Ca 0.20 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.64 1h50 s THR 131 Cb 0.03 -2.34 -0.02 0.00 -1.51 0.00 0.00 72.50 68.66 1h50 s THR 131 CO 0.03 0.00 -0.03 -0.44 -2.21 0.00 0.00 174.62 171.97 1h50 s SER 132 N -3.62 4.68 0.00 8.08 0.01 -1.26 -1.17 113.70 120.42 1h50 s SER 132 Ca 0.23 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1h50 s SER 132 Cb 0.02 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1h50 s SER 132 CO 0.14 0.10 0.00 0.18 0.41 0.00 0.00 173.24 174.07 1h50 n LEU 133 N 3.97 0.00 -4.07 2.44 4.77 0.31 -0.54 117.00 123.89 1h50 n LEU 133 Ca -0.17 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.62 1h50 n LEU 133 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 1h50 n LEU 133 CO 0.32 -0.03 -0.44 -0.13 -1.33 0.00 0.00 177.39 175.78 1h50 s ARG 134 N -1.92 0.81 0.55 3.23 0.52 -1.26 -0.68 118.95 120.20 1h50 s ARG 134 Ca 0.00 -0.50 -0.08 0.00 -0.52 0.00 0.00 55.73 54.63 1h50 s ARG 134 Cb 0.00 -0.78 0.12 0.00 0.52 0.00 0.00 34.95 34.82 1h50 s ARG 134 CO 0.00 0.20 0.75 -0.40 0.02 0.00 0.00 175.30 175.87 1h50 n ASP 135 N 2.45 0.22 0.23 0.23 5.68 0.09 -4.84 116.55 120.61 1h50 n ASP 135 Ca -0.16 -1.37 0.14 0.00 -0.50 0.00 0.00 54.79 52.90 1h50 n ASP 135 Cb 0.56 -0.56 0.75 0.00 -1.14 0.00 0.00 41.12 40.73 1h50 n ASP 135 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1h50 h GLU 136 N 0.00 0.00 -0.24 0.11 9.09 -2.02 -0.08 114.58 121.45 1h50 h GLU 136 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1h50 h GLU 136 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1h50 h GLU 136 CO 0.19 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.34 1h50 n ASN 137 N -2.52 2.97 0.00 3.06 3.02 -1.26 -4.95 115.26 115.57 1h50 n ASN 137 Ca -0.02 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1h50 n ASN 137 Cb 0.13 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1h50 n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h50 n GLY 138 N 1.14 0.69 3.80 7.41 0.00 -0.04 -5.05 105.19 113.14 1h50 n GLY 138 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1h50 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h50 s ASN 139 N -2.12 7.21 0.28 1.61 0.01 -1.26 -4.73 114.94 115.94 1h50 s ASN 139 Ca 0.00 1.44 -0.30 0.00 -0.71 0.00 0.00 52.86 53.30 1h50 s ASN 139 Cb 0.00 -2.43 -0.10 0.00 0.41 0.00 0.00 41.25 39.13 1h50 s ASN 139 CO 0.00 0.24 1.47 0.00 -1.51 0.00 0.00 177.10 177.29 1h50 s ALA 140 N -1.14 3.64 0.04 0.60 0.00 -1.26 -0.73 121.76 122.90 1h50 s ALA 140 Ca 0.32 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1h50 s ALA 140 Cb -0.21 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 1h50 s ALA 140 CO 0.22 -0.82 -0.04 0.96 0.00 0.00 0.00 175.76 176.09 1h50 s ILE 141 N -0.22 0.25 -0.04 0.00 -4.36 0.15 -4.87 121.20 112.11 1h50 s ILE 141 Ca 0.59 -1.26 -0.08 0.00 -0.26 0.00 0.00 60.65 59.63 1h50 s ILE 141 Cb -0.43 -0.77 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 1h50 s ILE 141 CO 0.47 -0.65 0.26 -0.13 0.24 0.00 0.00 174.94 175.13 1h50 s ARG 142 N -2.33 3.61 -0.03 0.37 1.81 -1.26 -0.53 118.95 120.59 1h50 s ARG 142 Ca -0.07 0.01 -0.06 0.00 -1.72 0.00 0.00 55.73 53.89 1h50 s ARG 142 Cb -0.04 -3.14 0.01 0.00 -0.45 0.00 0.00 34.95 31.32 1h50 s ARG 142 CO -0.04 0.70 0.14 0.54 -0.68 0.00 0.00 175.30 175.97 1h50 s VAL 143 N -1.16 0.04 0.37 3.52 0.11 -0.32 -4.93 120.40 118.03 1h50 s VAL 143 Ca 0.23 -0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 58.63 1h50 s VAL 143 Cb -0.14 -0.33 -0.11 0.00 -1.53 0.00 0.00 36.38 34.28 1h50 s VAL 143 CO 0.12 -0.20 1.43 -1.81 -3.33 0.00 0.00 175.10 171.30 1h50 s ASP 144 N -0.68 6.41 0.49 3.54 1.01 -1.26 -0.56 116.67 125.62 1h50 s ASP 144 Ca -0.08 2.94 -0.22 0.00 0.71 0.00 0.00 52.55 55.90 1h50 s ASP 144 Cb -0.05 -2.66 -0.07 0.00 1.01 0.00 0.00 42.92 41.16 1h50 s ASP 144 CO 0.01 -0.81 1.19 0.42 0.21 0.00 0.00 175.17 176.18 1h50 s THR 145 N -1.14 2.96 0.22 -1.27 -4.23 -0.51 -4.79 115.64 106.88 1h50 s THR 145 Ca 0.52 0.69 -0.23 0.00 -1.18 0.00 0.00 61.69 61.50 1h50 s THR 145 Cb -0.44 -3.34 -0.08 0.00 1.34 0.00 0.00 72.50 69.97 1h50 s THR 145 CO 0.60 -0.04 0.78 -0.89 -0.54 0.00 0.00 174.62 174.53 1h50 s THR 146 N -1.55 4.44 0.16 3.99 2.01 -0.86 -4.85 115.64 118.98 1h50 s THR 146 Ca 0.67 1.52 -0.32 0.00 0.31 0.00 0.00 61.69 63.87 1h50 s THR 146 Cb -0.29 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 1h50 s THR 146 CO 0.35 0.30 1.58 -0.89 -0.69 0.00 0.00 174.62 175.26 1h50 s THR 147 N -1.42 2.64 0.65 -0.82 2.01 -1.26 -4.74 115.64 112.70 1h50 s THR 147 Ca 0.42 0.44 -0.10 0.00 0.31 0.00 0.00 61.69 62.76 1h50 s THR 147 Cb -0.19 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1h50 s THR 147 CO 0.23 0.03 1.03 -2.16 -0.69 0.00 0.00 174.62 173.06 1h50 s PRO 148 N 1.26 3.04 -0.15 4.92 0.04 -1.26 -4.48 135.00 138.37 1h50 s PRO 148 Ca 0.70 0.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.08 1h50 s PRO 148 Cb -0.44 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1h50 s PRO 148 CO 0.31 -0.84 0.07 0.50 0.04 0.00 0.00 177.00 177.08 1h50 s ARG 149 N -5.22 3.70 0.09 4.56 3.52 0.67 -4.38 118.95 121.89 1h50 s ARG 149 Ca 0.56 -0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 55.54 1h50 s ARG 149 Cb -0.11 -3.14 -0.07 0.00 -1.56 0.00 0.00 34.95 30.07 1h50 s ARG 149 CO 0.50 0.45 1.33 0.00 -0.81 0.00 0.00 175.30 176.78 1h50 s ALA 150 N -0.13 3.53 0.34 6.12 0.00 -1.26 -1.69 121.76 128.66 1h50 s ALA 150 Ca 0.07 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 1h50 s ALA 150 Cb -0.12 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 1h50 s ALA 150 CO 0.01 -0.58 1.52 -0.51 0.00 0.00 0.00 175.76 176.20 1h50 s LEU 151 N 1.20 4.33 0.48 0.00 1.43 -0.18 -4.89 118.68 121.04 1h50 s LEU 151 Ca 0.63 3.00 -0.19 0.00 -1.03 0.00 0.00 54.13 56.53 1h50 s LEU 151 Cb -0.34 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.13 1h50 s LEU 151 CO 0.30 -0.88 0.99 -1.61 0.23 0.00 0.00 176.35 175.38 1h50 s GLU 152 N -1.45 3.98 0.26 1.70 0.41 -1.26 -4.94 118.70 117.40 1h50 s GLU 152 Ca 0.57 1.15 -0.01 0.00 -0.41 0.00 0.00 54.97 56.27 1h50 s GLU 152 Cb -0.47 -2.14 0.55 0.00 -1.78 0.00 0.00 34.13 30.30 1h50 s GLU 152 CO 0.57 -0.25 1.75 1.25 -0.49 0.00 0.00 175.26 178.09 1h50 h LEU 153 N 1.46 0.49 0.00 1.80 6.46 -2.02 0.11 115.31 123.61 1h50 h LEU 153 Ca -0.48 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 1h50 h LEU 153 Cb 1.19 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1h50 h LEU 153 CO 0.60 0.19 0.00 -0.90 -0.62 0.00 0.00 178.44 177.71 1h50 n ASP 154 N -4.90 0.00 0.09 1.25 5.75 -1.26 -2.47 116.55 115.00 1h50 n ASP 154 Ca 0.17 0.43 0.12 0.00 -0.01 0.00 0.00 54.79 55.50 1h50 n ASP 154 Cb 0.46 -0.46 0.07 0.00 -1.03 0.00 0.00 41.12 40.16 1h50 n ASP 154 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1h50 h GLU 155 N 0.00 0.00 -0.54 0.11 5.08 -1.15 -3.38 114.58 114.71 1h50 h GLU 155 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1h50 h GLU 155 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1h50 h GLU 155 CO 0.00 0.00 0.33 0.82 -1.00 0.00 0.00 179.01 179.16 1h50 h ILE 156 N 0.00 1.08 -0.41 3.13 5.03 -1.46 -2.01 117.51 122.87 1h50 h ILE 156 Ca 0.00 -0.23 0.11 0.00 -0.12 0.00 0.00 64.86 64.62 1h50 h ILE 156 Cb 0.88 0.36 -0.02 0.00 -3.03 0.00 0.00 36.82 35.01 1h50 h ILE 156 CO 0.00 0.12 0.29 -0.65 -0.68 0.00 0.00 178.15 177.23 1h50 h PRO 157 N 0.66 0.05 -0.22 2.37 0.11 -1.78 0.05 132.00 133.24 1h50 h PRO 157 Ca 0.21 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.18 1h50 h PRO 157 Cb -0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1h50 h PRO 157 CO -0.08 0.03 -0.43 0.78 -0.21 0.00 0.00 178.00 178.09 1h50 h GLY 158 N 0.05 0.59 0.90 -0.55 0.00 -1.62 -0.97 103.07 101.48 1h50 h GLY 158 Ca 0.19 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1h50 h GLY 158 CO -0.01 0.55 0.05 -2.22 0.00 0.00 0.00 176.54 174.90 1h50 h ILE 159 N 0.44 1.24 -0.73 2.60 1.08 -0.79 -0.82 117.51 120.53 1h50 h ILE 159 Ca 0.03 -0.82 -0.02 0.00 -0.39 0.00 0.00 64.86 63.65 1h50 h ILE 159 Cb 0.94 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 1h50 h ILE 159 CO 0.08 0.27 0.36 0.58 -0.69 0.00 0.00 178.15 178.76 1h50 h VAL 160 N 0.37 1.23 -0.10 1.67 2.07 -1.24 -2.15 116.25 118.10 1h50 h VAL 160 Ca 0.10 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1h50 h VAL 160 Cb 0.35 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1h50 h VAL 160 CO 0.01 0.27 -0.25 -1.13 0.02 0.00 0.00 177.57 176.49 1h50 h ASN 161 N 1.01 0.18 -0.58 0.57 -1.24 -0.93 -1.49 115.58 113.10 1h50 h ASN 161 Ca 0.25 -0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.11 1h50 h ASN 161 Cb 0.10 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1h50 h ASN 161 CO -0.03 0.44 -0.02 0.44 -1.29 0.00 0.00 177.43 176.97 1h50 h ASP 162 N 0.17 1.03 -0.43 1.15 3.32 -0.53 0.74 116.42 121.87 1h50 h ASP 162 Ca 0.03 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 1h50 h ASP 162 Cb 0.54 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1h50 h ASP 162 CO 0.04 1.09 0.04 -0.26 -1.72 0.00 0.00 179.24 178.43 1h50 h PHE 163 N 0.94 0.78 -0.24 4.55 0.04 -1.08 -1.52 116.94 120.41 1h50 h PHE 163 Ca 0.16 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.84 1h50 h PHE 163 Cb 0.57 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 1h50 h PHE 163 CO 0.04 0.76 0.09 -0.09 -0.60 0.00 0.00 178.31 178.51 1h50 h ARG 164 N 0.58 0.20 -0.66 1.51 2.43 -0.96 -1.77 114.38 115.71 1h50 h ARG 164 Ca 0.13 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1h50 h ARG 164 Cb 0.42 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1h50 h ARG 164 CO 0.01 0.13 0.20 0.37 -1.51 0.00 0.00 179.97 179.18 1h50 h GLN 165 N 0.21 1.00 -0.56 0.20 5.75 -0.76 -1.95 115.11 119.00 1h50 h GLN 165 Ca 0.10 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 1h50 h GLN 165 Cb 0.06 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1h50 h GLN 165 CO -0.10 0.86 0.18 0.00 -2.65 0.00 0.00 178.83 177.12 1h50 h ALA 166 N 1.25 1.27 -0.41 3.38 0.00 -0.87 0.48 119.26 124.36 1h50 h ALA 166 Ca 0.22 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1h50 h ALA 166 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1h50 h ALA 166 CO -0.01 0.52 -0.34 0.28 0.00 0.00 0.00 179.25 179.71 1h50 h VAL 167 N 0.81 1.27 -0.64 0.00 2.07 -0.99 0.21 116.25 118.97 1h50 h VAL 167 Ca 0.19 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1h50 h VAL 167 Cb 0.23 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1h50 h VAL 167 CO -0.01 0.51 0.42 0.00 0.02 0.00 0.00 177.57 178.51 1h50 h ALA 168 N 0.82 0.82 -0.57 1.67 0.00 -0.69 -0.01 119.26 121.29 1h50 h ALA 168 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1h50 h ALA 168 Cb 0.93 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1h50 h ALA 168 CO 0.09 0.25 -0.02 -0.91 0.00 0.00 0.00 179.25 178.66 1h50 h ASN 169 N 0.87 0.99 -0.68 0.00 2.35 -0.64 -2.47 115.58 116.01 1h50 h ASN 169 Ca 0.24 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1h50 h ASN 169 Cb -0.10 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 37.97 1h50 h ASN 169 CO -0.05 1.05 0.44 0.00 -1.65 0.00 0.00 177.43 177.23 1h50 h ALA 170 N 1.05 0.86 -0.23 -0.83 0.00 0.11 0.26 119.26 120.48 1h50 h ALA 170 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1h50 h ALA 170 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1h50 h ALA 170 CO 0.03 0.27 0.10 -0.09 0.00 0.00 0.00 179.25 179.56 1h50 h ARG 171 N 0.90 0.22 -0.18 0.00 2.43 -0.81 -2.18 114.38 114.76 1h50 h ARG 171 Ca 0.25 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1h50 h ARG 171 Cb -0.09 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1h50 h ARG 171 CO -0.06 0.15 -0.29 1.49 -1.51 0.00 0.00 179.97 179.75 1h50 h GLU 172 N 0.23 0.36 0.00 0.20 4.81 -0.96 -2.56 114.58 116.65 1h50 h GLU 172 Ca 0.10 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1h50 h GLU 172 Cb 0.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1h50 h GLU 172 CO -0.08 0.61 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 1h50 n ALA 173 N -2.48 1.76 -0.41 2.92 0.00 0.86 -4.86 120.51 118.30 1h50 n ALA 173 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1h50 n ALA 173 Cb 0.41 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1h50 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h50 n GLY 174 N -0.19 0.76 3.77 0.00 0.00 -0.97 -3.74 105.19 104.82 1h50 n GLY 174 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1h50 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h50 s PHE 175 N -2.27 2.79 0.08 1.61 0.08 -0.98 -4.91 117.98 114.38 1h50 s PHE 175 Ca 0.00 1.51 0.05 0.00 0.12 0.00 0.00 56.93 58.62 1h50 s PHE 175 Cb 0.00 -3.44 -0.23 0.00 -0.57 0.00 0.00 43.02 38.78 1h50 s PHE 175 CO 0.00 -1.71 1.12 -0.44 -0.10 0.00 0.00 175.22 174.09 1h50 h ASP 176 N 1.97 0.10 -5.34 1.36 3.32 -1.43 -3.44 116.42 112.95 1h50 h ASP 176 Ca -0.50 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.32 1h50 h ASP 176 Cb 1.25 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.68 1h50 h ASP 176 CO 0.60 1.09 -0.21 -0.76 -1.72 0.00 0.00 179.24 178.24 1h50 s LEU 177 N -6.69 0.56 0.01 1.55 1.43 -1.23 -4.88 118.68 109.43 1h50 s LEU 177 Ca -0.02 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.03 1h50 s LEU 177 Cb 0.09 1.51 -0.01 0.00 0.03 0.00 0.00 46.19 47.80 1h50 s LEU 177 CO 0.83 -1.13 -0.13 -0.69 0.23 0.00 0.00 176.35 175.47 1h50 s VAL 178 N -3.86 1.01 -0.19 -1.59 1.01 -0.44 -1.97 120.40 114.38 1h50 s VAL 178 Ca 0.26 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1h50 s VAL 178 Cb 0.01 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.54 1h50 s VAL 178 CO 0.11 0.17 -0.15 -0.70 0.00 0.00 0.00 175.10 174.53 1h50 s GLU 179 N -0.62 2.50 -0.06 2.72 2.12 0.27 -0.09 118.70 125.53 1h50 s GLU 179 Ca 0.03 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 1h50 s GLU 179 Cb -0.06 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 1h50 s GLU 179 CO 0.00 -0.32 1.14 -0.51 -0.54 0.00 0.00 175.26 175.04 1h50 s LEU 180 N 1.33 4.27 -0.96 2.70 1.43 -0.36 -0.60 118.68 126.50 1h50 s LEU 180 Ca 0.02 1.74 -0.22 0.00 -1.03 0.00 0.00 54.13 54.64 1h50 s LEU 180 Cb -0.15 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.59 1h50 s LEU 180 CO -0.10 -0.54 1.33 -2.28 0.23 0.00 0.00 176.35 174.99 1h50 s HIS 181 N 2.10 2.68 -0.38 0.29 5.65 -0.18 -0.79 115.29 124.66 1h50 s HIS 181 Ca 0.54 -0.92 0.06 0.00 0.25 0.00 0.00 55.06 54.98 1h50 s HIS 181 Cb -0.23 -4.57 0.53 0.00 -1.18 0.00 0.00 32.58 27.13 1h50 s HIS 181 CO 0.21 -1.82 1.60 0.45 -0.65 0.00 0.00 174.74 174.54 1h50 n SER 182 N 8.24 3.72 -2.43 9.88 2.88 0.14 -4.53 113.62 131.53 1h50 n SER 182 Ca 0.27 -3.76 -0.11 0.00 -1.33 0.00 0.00 58.87 53.95 1h50 n SER 182 Cb 0.50 -0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 1h50 n SER 182 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h50 n ALA 183 N -1.06 0.26 -2.67 -1.46 0.00 -1.10 -4.26 120.51 110.23 1h50 n ALA 183 Ca 0.44 -0.90 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 1h50 n ALA 183 Cb 1.11 0.63 -0.00 0.00 0.00 0.00 0.00 19.45 21.18 1h50 n ALA 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1h50 n HIS 184 N -0.38 -1.60 -1.07 0.00 8.25 -1.26 -2.42 115.22 116.74 1h50 n HIS 184 Ca -0.02 0.11 -0.02 0.00 -0.26 0.00 0.00 57.72 57.53 1h50 n HIS 184 Cb 0.27 -2.49 -0.01 0.00 1.12 0.00 0.00 29.99 28.87 1h50 n HIS 184 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h50 n GLY 185 N -0.84 0.57 1.38 -1.41 0.00 -1.26 -4.49 105.19 99.14 1h50 n GLY 185 Ca -0.09 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1h50 n GLY 185 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h50 n TYR 186 N -2.81 -3.69 -0.23 1.61 4.01 -1.02 -4.51 117.16 110.52 1h50 n TYR 186 Ca -0.02 -0.50 -0.08 0.00 -0.16 0.00 0.00 57.90 57.14 1h50 n TYR 186 Cb 0.14 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 38.81 1h50 n TYR 186 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1h50 h LEU 187 N 0.00 -1.52 -1.03 7.72 5.85 -1.12 0.21 115.31 125.43 1h50 h LEU 187 Ca -0.14 0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1h50 h LEU 187 Cb 0.43 0.70 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1h50 h LEU 187 CO 0.12 -0.33 0.66 -0.07 -0.34 0.00 0.00 178.44 178.48 1h50 h LEU 188 N -0.20 1.13 -0.89 2.25 3.38 -1.79 -1.62 115.31 117.57 1h50 h LEU 188 Ca 0.19 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1h50 h LEU 188 Cb 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1h50 h LEU 188 CO -0.72 0.81 -0.51 -0.74 0.09 0.00 0.00 178.44 177.38 1h50 h HIS 189 N 1.33 0.15 -0.42 1.13 2.76 -1.48 -1.97 115.15 116.65 1h50 h HIS 189 Ca 0.37 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 1h50 h HIS 189 Cb -0.13 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1h50 h HIS 189 CO -0.00 0.61 0.17 1.96 -1.30 0.00 0.00 177.93 179.37 1h50 h GLN 190 N 0.10 0.59 0.13 5.26 4.20 0.34 -0.40 115.11 125.34 1h50 h GLN 190 Ca 0.00 -0.07 -0.29 0.00 0.06 0.00 0.00 58.65 58.35 1h50 h GLN 190 Cb 0.93 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 28.62 1h50 h GLN 190 CO 0.07 0.49 -1.25 0.74 -0.67 0.00 0.00 178.83 178.21 1h50 h PHE 191 N 0.59 0.82 -0.54 2.96 -1.00 -1.15 -3.26 116.94 115.34 1h50 h PHE 191 Ca 0.15 -0.54 -0.05 0.00 2.81 0.00 0.00 57.97 60.34 1h50 h PHE 191 Cb 0.11 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1h50 h PHE 191 CO 0.01 1.39 0.13 -0.07 -1.61 0.00 0.00 178.31 178.16 1h50 h LEU 192 N 0.19 0.78 -9.52 1.54 3.38 -0.78 -3.43 115.31 107.47 1h50 h LEU 192 Ca -0.17 -0.14 -0.54 0.00 0.09 0.00 0.00 57.88 57.12 1h50 h LEU 192 Cb 1.93 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.45 1h50 h LEU 192 CO 0.23 0.77 0.25 -0.55 0.09 0.00 0.00 178.44 179.22 1h50 s SER 193 N -6.58 7.32 0.51 -0.43 0.15 -0.21 -4.83 113.70 109.63 1h50 s SER 193 Ca -0.10 1.58 0.30 0.00 0.70 0.00 0.00 55.95 58.43 1h50 s SER 193 Cb 0.15 -2.52 1.16 0.00 -1.71 0.00 0.00 66.02 63.11 1h50 s SER 193 CO 0.80 -0.05 1.91 1.55 1.20 0.00 0.00 173.24 178.65 1h50 h PRO 194 N 5.84 0.00 0.00 5.44 0.13 -1.83 -1.57 132.00 140.01 1h50 h PRO 194 Ca -0.43 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 1h50 h PRO 194 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1h50 h PRO 194 CO 0.72 0.06 -0.83 0.66 -0.23 0.00 0.00 178.00 178.38 1h50 h SER 195 N 0.00 0.10 -0.00 1.44 4.64 -1.93 -3.28 113.55 114.51 1h50 h SER 195 Ca -0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1h50 h SER 195 Cb 0.62 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1h50 h SER 195 CO 0.01 0.88 -0.89 -1.54 -0.87 0.00 0.00 176.83 174.41 1h50 n SER 196 N -3.62 0.93 -4.16 4.97 3.41 -1.16 -4.86 113.62 109.14 1h50 n SER 196 Ca -0.02 -0.97 -0.35 0.00 -0.26 0.00 0.00 58.87 57.28 1h50 n SER 196 Cb 0.78 0.98 -0.14 0.00 -0.26 0.00 0.00 64.21 65.58 1h50 n SER 196 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1h50 s ASN 197 N -2.79 4.81 -0.17 4.04 3.84 -0.60 -3.99 114.94 120.07 1h50 s ASN 197 Ca 0.08 -1.27 0.16 0.00 0.21 0.00 0.00 52.86 52.03 1h50 s ASN 197 Cb 0.15 -1.69 0.38 0.00 -0.55 0.00 0.00 41.25 39.54 1h50 s ASN 197 CO 0.78 -0.24 1.25 0.00 -2.79 0.00 0.00 177.10 176.09 1h50 n GLN 198 N 4.60 1.68 -2.08 0.43 6.02 -1.26 -4.66 117.38 122.11 1h50 n GLN 198 Ca -0.13 -2.86 -0.35 0.00 -0.01 0.00 0.00 57.00 53.64 1h50 n GLN 198 Cb 0.43 -1.62 0.02 0.00 1.02 0.00 0.00 30.24 30.10 1h50 n GLN 198 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1h50 s ARG 199 N -3.00 3.09 0.00 -1.09 0.52 -1.26 -4.96 118.95 112.26 1h50 s ARG 199 Ca 0.36 1.72 0.07 0.00 -0.52 0.00 0.00 55.73 57.37 1h50 s ARG 199 Cb 0.32 -1.96 0.18 0.00 0.52 0.00 0.00 34.95 34.02 1h50 s ARG 199 CO 0.01 -1.08 1.09 0.25 0.02 0.00 0.00 175.30 175.59 1h50 n THR 200 N -1.55 0.80 -1.54 0.02 -2.24 -1.26 -3.77 114.28 104.74 1h50 n THR 200 Ca 0.13 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1h50 n THR 200 Cb 0.50 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1h50 n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1h50 n ASP 201 N 0.24 0.00 0.00 3.42 5.68 -1.26 -4.94 116.55 119.68 1h50 n ASP 201 Ca 0.07 -0.18 0.05 0.00 -0.50 0.00 0.00 54.79 54.23 1h50 n ASP 201 Cb 0.33 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.60 1h50 n ASP 201 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h50 n GLN 202 N -0.18 0.82 -0.19 0.11 0.00 -1.26 -2.85 117.38 113.82 1h50 n GLN 202 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.00 57.06 1h50 n GLN 202 Cb 0.00 -1.19 0.17 0.00 0.00 0.00 0.00 30.24 29.22 1h50 n GLN 202 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1h50 n TYR 203 N -0.69 0.50 -3.98 2.61 4.01 -1.26 -4.49 117.16 113.87 1h50 n TYR 203 Ca 0.07 -0.50 -0.09 0.00 -0.16 0.00 0.00 57.90 57.23 1h50 n TYR 203 Cb 0.03 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 38.96 1h50 n TYR 203 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1h50 s GLY 204 N -1.00 0.39 0.00 2.72 0.00 -1.13 -4.16 107.32 104.13 1h50 s GLY 204 Ca 0.25 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1h50 s GLY 204 CO 0.17 -1.02 0.00 0.61 0.00 0.00 0.00 173.10 172.87 1h50 n GLY 205 N -0.06 1.00 3.69 0.20 0.00 -1.25 -4.64 105.19 104.14 1h50 n GLY 205 Ca -0.12 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 1h50 n GLY 205 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h50 s SER 206 N -4.00 3.26 0.35 1.61 1.04 -1.26 -4.72 113.70 109.98 1h50 s SER 206 Ca 0.00 2.12 0.04 0.00 0.48 0.00 0.00 55.95 58.59 1h50 s SER 206 Cb 0.00 -2.56 0.63 0.00 0.10 0.00 0.00 66.02 64.20 1h50 s SER 206 CO 0.00 -2.88 1.90 1.62 0.98 0.00 0.00 173.24 174.87 1h50 h VAL 207 N -1.70 1.18 -0.73 5.02 3.04 -1.96 0.82 116.25 121.92 1h50 h VAL 207 Ca -0.43 -0.68 0.03 0.00 -1.01 0.00 0.00 66.70 64.60 1h50 h VAL 207 Cb 1.26 0.85 -0.04 0.00 -2.01 0.00 0.00 31.29 31.34 1h50 h VAL 207 CO 0.44 0.24 0.46 -0.33 -1.01 0.00 0.00 177.57 177.37 1h50 h GLU 208 N 0.53 0.89 -0.31 4.17 3.07 -1.98 -0.01 114.58 120.94 1h50 h GLU 208 Ca 0.12 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.76 1h50 h GLU 208 Cb 0.26 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1h50 h GLU 208 CO 0.00 0.59 -0.47 -0.91 -1.40 0.00 0.00 179.01 176.82 1h50 h ASN 209 N 0.91 0.95 0.26 1.42 4.21 -1.52 -2.59 115.58 119.22 1h50 h ASN 209 Ca 0.29 -0.51 -0.07 0.00 1.21 0.00 0.00 56.30 57.22 1h50 h ASN 209 Cb -0.01 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 36.91 1h50 h ASN 209 CO -0.10 1.28 -0.30 0.03 -1.29 0.00 0.00 177.43 177.04 1h50 h ARG 210 N 0.65 0.07 -0.01 0.81 3.08 -0.41 -2.51 114.38 116.07 1h50 h ARG 210 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1h50 h ARG 210 Cb 1.07 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1h50 h ARG 210 CO 0.11 0.37 -0.31 0.00 -1.07 0.00 0.00 179.97 179.07 1h50 n ALA 211 N -2.48 3.17 -0.05 0.04 0.00 -0.06 -3.42 120.51 117.71 1h50 n ALA 211 Ca -0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 1h50 n ALA 211 Cb 0.36 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1h50 n ALA 211 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1h50 h ARG 212 N 0.99 -0.14 0.20 0.00 2.43 -1.03 -1.92 114.38 114.92 1h50 h ARG 212 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1h50 h ARG 212 Cb 0.51 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1h50 h ARG 212 CO 0.00 -0.09 -0.18 1.25 -1.51 0.00 0.00 179.97 179.43 1h50 h LEU 213 N -0.14 -0.48 -1.15 3.80 5.85 -1.77 -0.82 115.31 120.60 1h50 h LEU 213 Ca 0.14 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1h50 h LEU 213 Cb 0.35 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1h50 h LEU 213 CO -0.34 -0.28 0.58 1.62 -0.34 0.00 0.00 178.44 179.68 1h50 h VAL 214 N -0.41 1.17 -0.17 1.05 3.04 -1.81 -0.77 116.25 118.35 1h50 h VAL 214 Ca -0.00 -0.39 -0.12 0.00 -1.01 0.00 0.00 66.70 65.18 1h50 h VAL 214 Cb 0.38 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.59 1h50 h VAL 214 CO -0.03 0.21 -0.42 -0.07 -1.01 0.00 0.00 177.57 176.25 1h50 h LEU 215 N 1.13 0.40 -0.80 3.16 3.38 -1.06 -0.11 115.31 121.42 1h50 h LEU 215 Ca 0.34 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1h50 h LEU 215 Cb -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1h50 h LEU 215 CO -0.10 0.78 -0.14 -0.33 0.09 0.00 0.00 178.44 178.74 1h50 h GLU 216 N 0.32 0.76 -0.19 1.13 5.08 -0.33 -1.01 114.58 120.33 1h50 h GLU 216 Ca 0.03 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1h50 h GLU 216 Cb 0.87 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1h50 h GLU 216 CO 0.07 0.86 0.02 0.28 -1.00 0.00 0.00 179.01 179.24 1h50 h VAL 217 N 0.68 1.23 -0.42 3.13 2.07 -0.76 -0.30 116.25 121.89 1h50 h VAL 217 Ca 0.11 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1h50 h VAL 217 Cb 0.62 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1h50 h VAL 217 CO 0.04 0.24 0.19 0.58 0.02 0.00 0.00 177.57 178.64 1h50 h VAL 218 N 0.10 0.93 -0.65 2.57 2.07 -0.82 -0.18 116.25 120.27 1h50 h VAL 218 Ca 0.06 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1h50 h VAL 218 Cb 0.34 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1h50 h VAL 218 CO 0.01 0.07 0.25 0.44 0.02 0.00 0.00 177.57 178.36 1h50 h ASP 219 N 0.38 0.91 -0.65 0.57 3.32 -1.07 -1.22 116.42 118.66 1h50 h ASP 219 Ca 0.19 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1h50 h ASP 219 Cb 0.13 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1h50 h ASP 219 CO -0.16 0.84 0.38 0.00 -1.72 0.00 0.00 179.24 178.59 1h50 h ALA 220 N 1.10 0.83 0.00 3.45 0.00 -0.42 -1.86 119.26 122.37 1h50 h ALA 220 Ca 0.22 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1h50 h ALA 220 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1h50 h ALA 220 CO -0.02 0.32 -0.82 -0.39 0.00 0.00 0.00 179.25 178.35 1h50 h VAL 221 N 0.89 1.58 -0.32 0.00 -1.51 -0.90 -1.66 116.25 114.32 1h50 h VAL 221 Ca 0.23 -2.82 -0.11 0.00 -1.23 0.00 0.00 66.70 62.77 1h50 h VAL 221 Cb -0.00 2.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1h50 h VAL 221 CO -0.04 0.80 -0.26 0.00 -1.23 0.00 0.00 177.57 176.84 1h50 h ASN 223 N 0.56 0.57 -0.20 0.00 -0.73 -1.28 -2.98 115.58 111.52 1h50 h ASN 223 Ca 0.08 -0.37 -0.03 0.00 1.87 0.00 0.00 56.30 57.85 1h50 h ASN 223 Cb 0.73 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 1h50 h ASN 223 CO 0.06 1.12 0.01 -0.08 -0.37 0.00 0.00 177.43 178.16 1h50 h GLU 224 N 0.33 0.34 0.00 6.67 4.57 -1.09 -3.44 114.58 121.96 1h50 h GLU 224 Ca -0.03 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1h50 h GLU 224 Cb 1.31 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1h50 h GLU 224 CO 0.13 0.54 0.00 1.87 -1.18 0.00 0.00 179.01 180.37 1h50 n TRP 225 N -4.71 0.00 -3.62 0.92 -0.00 -0.65 -4.98 117.44 104.41 1h50 n TRP 225 Ca -0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.32 1h50 n TRP 225 Cb 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.46 1h50 n TRP 225 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1h50 s SER 226 N 0.30 -0.68 0.44 5.87 0.15 -1.13 -4.97 113.70 113.68 1h50 s SER 226 Ca 0.00 1.24 0.16 0.00 0.70 0.00 0.00 55.95 58.05 1h50 s SER 226 Cb 0.00 1.23 1.07 0.00 -1.71 0.00 0.00 66.02 66.61 1h50 s SER 226 CO 0.00 -0.28 1.94 0.00 1.20 0.00 0.00 173.24 176.09 1h50 h ALA 227 N 4.56 2.12 0.00 5.45 0.00 -1.88 -0.58 119.26 128.93 1h50 h ALA 227 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1h50 h ALA 227 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1h50 h ALA 227 CO 0.11 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 178.66 1h50 n ASP 228 N -4.47 0.21 -0.09 0.00 5.75 -1.26 -1.95 116.55 114.73 1h50 n ASP 228 Ca 0.13 -1.83 0.01 0.00 -0.01 0.00 0.00 54.79 53.09 1h50 n ASP 228 Cb 0.50 -0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.49 1h50 n ASP 228 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1h50 n ARG 229 N -0.38 1.03 -4.03 0.11 5.12 -0.22 -0.45 116.66 117.84 1h50 n ARG 229 Ca 0.00 -0.52 -0.35 0.00 -1.93 0.00 0.00 57.85 55.06 1h50 n ARG 229 Cb 0.05 -0.95 -0.11 0.00 -1.16 0.00 0.00 32.46 30.28 1h50 n ARG 229 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1h50 s ILE 230 N -0.49 4.35 0.29 0.55 -1.09 -0.85 -1.33 121.20 122.63 1h50 s ILE 230 Ca 0.03 -0.18 0.09 0.00 -2.23 0.00 0.00 60.65 58.36 1h50 s ILE 230 Cb 0.02 -2.97 -0.06 0.00 -1.58 0.00 0.00 42.46 37.88 1h50 s ILE 230 CO 0.05 0.43 -0.12 -0.83 -1.23 0.00 0.00 174.94 173.24 1h50 s GLY 231 N 0.80 1.91 -0.06 6.18 0.00 0.87 -0.53 107.32 116.49 1h50 s GLY 231 Ca 0.02 -1.93 -0.05 0.00 0.00 0.00 0.00 44.72 42.76 1h50 s GLY 231 CO 0.02 -1.93 0.15 -1.50 0.00 0.00 0.00 173.10 169.85 1h50 s ILE 232 N -2.74 -0.00 -0.15 0.90 2.07 -0.97 -1.22 121.20 119.08 1h50 s ILE 232 Ca 0.30 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.52 1h50 s ILE 232 Cb 0.00 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 1h50 s ILE 232 CO 0.13 0.01 -0.06 -0.60 -1.91 0.00 0.00 174.94 172.51 1h50 s ARG 233 N 0.17 3.58 0.14 3.50 3.52 0.02 -0.19 118.95 129.69 1h50 s ARG 233 Ca -0.01 -0.57 0.06 0.00 -0.13 0.00 0.00 55.73 55.08 1h50 s ARG 233 Cb -0.02 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 1h50 s ARG 233 CO -0.00 0.22 -0.13 0.14 -0.81 0.00 0.00 175.30 174.71 1h50 s VAL 234 N 0.40 1.35 -0.40 7.11 -7.23 -0.26 -0.68 120.40 120.68 1h50 s VAL 234 Ca -0.06 -1.83 0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1h50 s VAL 234 Cb -0.15 -1.64 0.29 0.00 0.56 0.00 0.00 36.38 35.44 1h50 s VAL 234 CO 0.04 -0.49 0.63 -1.54 -0.31 0.00 0.00 175.10 173.42 1h50 n SER 235 N 0.30 0.79 0.12 4.85 3.41 -1.26 -0.86 113.62 120.97 1h50 n SER 235 Ca -0.14 -2.89 0.11 0.00 -0.26 0.00 0.00 58.87 55.70 1h50 n SER 235 Cb 0.58 -0.63 0.48 0.00 -0.26 0.00 0.00 64.21 64.37 1h50 n SER 235 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1h50 n PRO 236 N 0.90 0.17 -4.34 4.33 -0.04 -1.26 -4.70 135.00 130.06 1h50 n PRO 236 Ca 0.23 0.42 -0.33 0.00 -0.04 0.00 0.00 63.50 63.78 1h50 n PRO 236 Cb 0.57 -1.84 -0.16 0.00 -0.04 0.00 0.00 33.50 32.03 1h50 n PRO 236 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1h50 s ILE 237 N -3.29 2.12 0.00 0.52 -1.09 -1.26 -4.72 121.20 113.47 1h50 s ILE 237 Ca 0.04 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1h50 s ILE 237 Cb 0.09 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 1h50 s ILE 237 CO 0.37 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.23 1h50 n GLY 238 N 4.39 -0.80 3.16 6.18 0.00 -1.26 -4.73 105.19 112.14 1h50 n GLY 238 Ca -0.20 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.35 1h50 n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h50 s THR 239 N 0.00 1.85 -0.02 2.61 2.01 -1.26 -2.60 115.64 118.23 1h50 s THR 239 Ca 0.00 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1h50 s THR 239 Cb 0.00 -1.62 0.00 0.00 0.01 0.00 0.00 72.50 70.89 1h50 s THR 239 CO 0.00 0.51 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.00 1h50 s PHE 240 N 0.52 0.88 -1.62 4.92 0.40 -0.42 -4.75 117.98 117.92 1h50 s PHE 240 Ca -0.15 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 55.87 1h50 s PHE 240 Cb -0.17 -0.63 0.08 0.00 0.51 0.00 0.00 43.02 42.82 1h50 s PHE 240 CO 0.06 -0.09 0.41 1.04 0.70 0.00 0.00 175.22 177.34 1h50 n GLN 241 N 3.27 -2.05 -0.76 0.44 1.13 -1.26 0.11 117.38 118.25 1h50 n GLN 241 Ca -0.18 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1h50 n GLN 241 Cb 0.55 -4.41 0.00 0.00 0.11 0.00 0.00 30.24 26.48 1h50 n GLN 241 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1h50 n ASN 242 N -2.78 -2.29 -4.58 1.08 3.02 -1.26 -4.90 115.26 103.56 1h50 n ASN 242 Ca -0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.01 1h50 n ASN 242 Cb 0.60 -2.41 -0.09 0.00 -0.61 0.00 0.00 39.78 37.26 1h50 n ASN 242 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1h50 s VAL 243 N -1.41 5.19 -0.21 2.41 -7.23 0.29 -4.94 120.40 114.50 1h50 s VAL 243 Ca 0.00 0.30 -0.09 0.00 -1.81 0.00 0.00 61.98 60.38 1h50 s VAL 243 Cb 0.00 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1h50 s VAL 243 CO 0.00 0.07 0.11 -0.62 -0.31 0.00 0.00 175.10 174.35 1h50 s ASP 244 N 1.70 5.81 -0.14 4.85 2.15 -1.26 -1.30 116.67 128.47 1h50 s ASP 244 Ca 0.12 0.07 -0.29 0.00 0.43 0.00 0.00 52.55 52.88 1h50 s ASP 244 Cb -0.16 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 1h50 s ASP 244 CO 0.11 0.11 1.59 0.20 -0.17 0.00 0.00 175.17 177.01 1h50 s ASN 245 N 0.78 6.57 0.26 -0.34 0.01 -1.07 -4.18 114.94 116.97 1h50 s ASN 245 Ca 0.06 1.91 0.00 0.00 -0.71 0.00 0.00 52.86 54.11 1h50 s ASN 245 Cb -0.13 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1h50 s ASN 245 CO 0.02 -1.05 0.00 0.61 -1.51 0.00 0.00 177.10 175.17 1h50 n GLY 246 N 4.30 0.00 0.00 0.66 0.00 -1.26 -4.53 105.19 104.36 1h50 n GLY 246 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1h50 n GLY 246 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h50 n PRO 247 N 1.58 0.33 -2.42 1.61 -0.04 -1.26 -2.52 135.00 132.29 1h50 n PRO 247 Ca 0.00 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1h50 n PRO 247 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1h50 n PRO 247 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1h50 n ASN 248 N -1.20 3.32 -0.22 3.54 4.13 -1.26 -4.92 115.26 118.65 1h50 n ASN 248 Ca 0.10 -2.93 0.02 0.00 1.68 0.00 0.00 54.58 53.45 1h50 n ASN 248 Cb 0.11 -0.41 0.14 0.00 -1.54 0.00 0.00 39.78 38.08 1h50 n ASN 248 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1h50 h GLU 249 N 2.39 0.35 -0.28 3.52 4.11 -1.72 0.04 114.58 122.99 1h50 h GLU 249 Ca 0.13 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 1h50 h GLU 249 Cb 1.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1h50 h GLU 249 CO 0.49 0.23 0.10 1.49 0.07 0.00 0.00 179.01 181.39 1h50 h GLU 250 N 0.36 0.43 -0.39 1.06 4.81 -1.90 0.19 114.58 119.14 1h50 h GLU 250 Ca 0.35 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1h50 h GLU 250 Cb 0.50 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1h50 h GLU 250 CO -0.38 0.47 0.09 0.00 -0.73 0.00 0.00 179.01 178.46 1h50 h ALA 251 N 0.94 0.51 -0.47 2.92 0.00 -1.89 -1.94 119.26 119.33 1h50 h ALA 251 Ca 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1h50 h ALA 251 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1h50 h ALA 251 CO -0.01 0.19 0.09 -0.44 0.00 0.00 0.00 179.25 179.08 1h50 h ASP 252 N 0.48 0.67 -0.14 0.00 3.32 -0.87 -2.21 116.42 117.68 1h50 h ASP 252 Ca 0.12 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1h50 h ASP 252 Cb 0.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1h50 h ASP 252 CO 0.00 0.68 0.06 0.00 -1.72 0.00 0.00 179.24 178.26 1h50 h ALA 253 N 1.40 0.18 -0.30 3.45 0.00 -0.36 -2.04 119.26 121.59 1h50 h ALA 253 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1h50 h ALA 253 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1h50 h ALA 253 CO 0.00 -0.23 0.04 -0.07 0.00 0.00 0.00 179.25 178.99 1h50 h LEU 254 N 0.07 0.41 -0.15 0.00 3.38 -1.16 -0.87 115.31 117.00 1h50 h LEU 254 Ca 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1h50 h LEU 254 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1h50 h LEU 254 CO -0.00 0.45 0.06 0.22 0.09 0.00 0.00 178.44 179.25 1h50 h TYR 255 N 0.44 0.23 -0.40 1.13 3.20 -1.17 -1.43 116.97 118.96 1h50 h TYR 255 Ca 0.10 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1h50 h TYR 255 Cb 0.23 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1h50 h TYR 255 CO 0.01 0.32 0.26 1.25 -1.64 0.00 0.00 178.16 178.36 1h50 h LEU 256 N 0.08 0.45 -0.83 2.82 6.46 -0.84 -2.26 115.31 121.19 1h50 h LEU 256 Ca 0.05 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1h50 h LEU 256 Cb 0.19 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 1h50 h LEU 256 CO -0.00 0.33 0.42 0.40 -0.62 0.00 0.00 178.44 178.96 1h50 h ILE 257 N 0.54 1.25 -0.79 4.05 2.04 -1.06 -0.83 117.51 122.72 1h50 h ILE 257 Ca 0.15 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1h50 h ILE 257 Cb -0.05 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1h50 h ILE 257 CO -0.04 0.30 0.29 -0.33 0.00 0.00 0.00 178.15 178.37 1h50 h GLU 258 N 1.17 1.19 -0.40 2.37 5.08 -1.04 -0.37 114.58 122.58 1h50 h GLU 258 Ca 0.29 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1h50 h GLU 258 Cb 0.09 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1h50 h GLU 258 CO -0.04 0.98 0.05 0.93 -1.00 0.00 0.00 179.01 179.93 1h50 h GLU 259 N 1.15 0.67 -0.89 2.33 4.39 -0.99 -2.79 114.58 118.45 1h50 h GLU 259 Ca 0.26 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1h50 h GLU 259 Cb 0.25 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1h50 h GLU 259 CO -0.02 0.73 0.49 -0.07 -1.16 0.00 0.00 179.01 178.98 1h50 h LEU 260 N 0.52 1.10 -1.44 1.33 3.38 -0.89 -2.27 115.31 117.03 1h50 h LEU 260 Ca 0.12 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1h50 h LEU 260 Cb 0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1h50 h LEU 260 CO 0.01 0.88 0.46 0.00 0.09 0.00 0.00 178.44 179.88 1h50 h ALA 261 N 1.30 1.79 0.00 1.53 0.00 -0.84 -1.65 119.26 121.38 1h50 h ALA 261 Ca 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1h50 h ALA 261 Cb 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1h50 h ALA 261 CO -0.05 0.09 -0.00 0.87 0.00 0.00 0.00 179.25 180.15 1h50 h LYS 262 N 0.66 0.00 -0.00 0.00 1.57 -1.15 -1.59 116.57 116.06 1h50 h LYS 262 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1h50 h LYS 262 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1h50 h LYS 262 CO -0.10 0.00 -0.19 0.54 -0.57 0.00 0.00 179.45 179.13 1h50 n ARG 263 N -3.93 0.68 -3.74 3.15 3.00 -0.62 -4.96 116.66 110.24 1h50 n ARG 263 Ca -0.03 -0.32 -0.26 0.00 -0.01 0.00 0.00 57.85 57.23 1h50 n ARG 263 Cb 0.09 -1.49 0.05 0.00 0.00 0.00 0.00 32.46 31.10 1h50 n ARG 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h50 n GLY 264 N 1.33 -0.49 3.79 -0.13 0.00 -0.60 -4.82 105.19 104.27 1h50 n GLY 264 Ca 0.13 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1h50 n GLY 264 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h50 s ILE 265 N -3.35 3.27 0.15 -0.61 -4.36 -1.26 -4.33 121.20 110.71 1h50 s ILE 265 Ca 0.52 0.41 -0.16 0.00 -0.26 0.00 0.00 60.65 61.16 1h50 s ILE 265 Cb -0.25 -3.06 0.01 0.00 1.25 0.00 0.00 42.46 40.41 1h50 s ILE 265 CO 0.78 -0.54 1.77 0.00 0.24 0.00 0.00 174.94 177.20 1h50 h ALA 266 N -1.09 0.43 -2.95 2.27 0.00 -0.14 -3.42 119.26 114.36 1h50 h ALA 266 Ca -0.46 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1h50 h ALA 266 Cb 1.25 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1h50 h ALA 266 CO 0.56 -0.21 0.15 1.52 0.00 0.00 0.00 179.25 181.28 1h50 s TYR 267 N -6.16 -0.36 -0.21 0.00 -0.85 -1.17 -2.26 117.35 106.34 1h50 s TYR 267 Ca -0.13 0.07 0.02 0.00 -0.52 0.00 0.00 57.07 56.51 1h50 s TYR 267 Cb 0.11 0.53 0.03 0.00 0.38 0.00 0.00 41.96 43.02 1h50 s TYR 267 CO 0.71 -0.92 -0.17 -1.17 -1.52 0.00 0.00 175.55 172.48 1h50 s LEU 268 N -2.81 2.63 -0.28 -3.49 2.96 -0.08 -2.29 118.68 115.32 1h50 s LEU 268 Ca 0.05 -0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 52.94 1h50 s LEU 268 Cb -0.02 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 1h50 s LEU 268 CO -0.07 -0.07 0.11 -2.28 -1.32 0.00 0.00 176.35 172.72 1h50 s HIS 269 N 1.22 3.14 -0.33 5.38 5.65 0.73 -1.07 115.29 130.01 1h50 s HIS 269 Ca -0.00 -0.50 -0.10 0.00 0.25 0.00 0.00 55.06 54.70 1h50 s HIS 269 Cb -0.16 -2.29 -0.00 0.00 -1.18 0.00 0.00 32.58 28.95 1h50 s HIS 269 CO -0.10 -0.41 0.17 -1.64 -0.65 0.00 0.00 174.74 172.12 1h50 s MET 270 N 1.61 3.25 -0.53 2.88 1.00 -0.02 -1.11 119.30 126.39 1h50 s MET 270 Ca 0.05 -0.78 -0.21 0.00 0.00 0.00 0.00 55.69 54.75 1h50 s MET 270 Cb -0.16 -3.63 0.05 0.00 0.00 0.00 0.00 34.83 31.10 1h50 s MET 270 CO 0.05 -0.48 0.76 0.45 0.00 0.00 0.00 175.02 175.80 1h50 s SER 271 N 1.61 6.27 0.31 3.03 0.15 -0.04 -1.98 113.70 123.05 1h50 s SER 271 Ca 0.04 -0.71 0.07 0.00 0.70 0.00 0.00 55.95 56.05 1h50 s SER 271 Cb -0.17 -2.35 0.50 0.00 -1.71 0.00 0.00 66.02 62.28 1h50 s SER 271 CO 0.07 -1.04 1.73 -0.33 1.20 0.00 0.00 173.24 174.87 1h50 h GLU 272 N 9.14 0.25 -2.51 5.44 5.08 -1.62 -3.39 114.58 126.96 1h50 h GLU 272 Ca -0.27 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 57.92 1h50 h GLU 272 Cb 1.09 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.16 1h50 h GLU 272 CO 1.02 0.59 0.10 0.95 -1.00 0.00 0.00 179.01 180.66 1h50 s THR 273 N -4.24 0.02 0.94 1.13 -4.23 -1.26 -4.82 115.64 103.18 1h50 s THR 273 Ca -0.05 -0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.17 1h50 s THR 273 Cb 0.14 -0.96 0.22 0.00 1.34 0.00 0.00 72.50 73.24 1h50 s THR 273 CO 0.77 -0.07 1.14 -0.90 -0.54 0.00 0.00 174.62 175.02 1h50 n ASP 274 N 0.57 -0.46 0.17 3.99 5.75 -1.26 -4.83 116.55 120.49 1h50 n ASP 274 Ca -0.19 -1.35 0.17 0.00 -0.01 0.00 0.00 54.79 53.41 1h50 n ASP 274 Cb 0.59 -0.91 0.78 0.00 -1.03 0.00 0.00 41.12 40.55 1h50 n ASP 274 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1h50 h LEU 275 N 0.00 0.00 0.00 -2.12 3.38 -2.02 -3.41 115.31 111.14 1h50 h LEU 275 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1h50 h LEU 275 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1h50 h LEU 275 CO 0.27 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1h50 n ALA 276 N -2.42 0.00 -0.67 1.53 0.00 -1.26 -5.05 120.51 112.64 1h50 n ALA 276 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 1h50 n ALA 276 Cb 0.35 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.95 1h50 n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h50 n GLY 277 N 5.00 -3.70 0.00 0.00 0.00 -1.26 -5.00 105.19 100.22 1h50 n GLY 277 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1h50 n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h50 n GLY 278 N -2.67 3.51 3.72 -0.02 0.00 -1.26 -4.36 105.19 104.12 1h50 n GLY 278 Ca 0.07 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1h50 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h50 s LYS 279 N -1.10 4.28 0.52 1.61 1.02 -1.26 -4.98 119.74 119.82 1h50 s LYS 279 Ca 0.00 2.22 -0.20 0.00 0.02 0.00 0.00 55.97 58.01 1h50 s LYS 279 Cb 0.00 -3.18 -0.07 0.00 -0.52 0.00 0.00 37.83 34.06 1h50 s LYS 279 CO 0.00 -0.47 1.08 -1.25 -0.92 0.00 0.00 175.35 173.79 1h50 s PRO 280 N 0.68 3.57 0.28 -1.68 0.04 -1.26 -4.94 135.00 131.69 1h50 s PRO 280 Ca 0.65 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1h50 s PRO 280 Cb -0.40 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 1h50 s PRO 280 CO 0.34 -0.64 1.36 0.71 0.04 0.00 0.00 177.00 178.81 1h50 s TYR 281 N -1.92 3.05 0.35 0.56 1.51 -1.26 -5.01 117.35 114.63 1h50 s TYR 281 Ca 0.69 1.23 -0.16 0.00 -1.01 0.00 0.00 57.07 57.83 1h50 s TYR 281 Cb -0.20 -3.73 -0.09 0.00 -0.11 0.00 0.00 41.96 37.83 1h50 s TYR 281 CO 0.24 -2.20 0.78 -1.54 -1.11 0.00 0.00 175.55 171.72 1h50 s SER 282 N -0.04 6.81 0.52 2.29 1.04 -1.26 -4.94 113.70 118.11 1h50 s SER 282 Ca 0.54 1.37 0.23 0.00 0.48 0.00 0.00 55.95 58.56 1h50 s SER 282 Cb -0.40 -2.41 1.41 0.00 0.10 0.00 0.00 66.02 64.72 1h50 s SER 282 CO 0.48 -0.24 2.12 -0.33 0.98 0.00 0.00 173.24 176.24 1h50 h GLU 283 N 2.17 0.00 -0.41 4.02 5.08 -1.98 -0.81 114.58 122.65 1h50 h GLU 283 Ca -0.48 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1h50 h GLU 283 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1h50 h GLU 283 CO 0.64 0.08 0.10 0.00 -1.00 0.00 0.00 179.01 178.84 1h50 h ALA 284 N 1.92 0.54 -0.52 3.43 0.00 -1.99 0.82 119.26 123.45 1h50 h ALA 284 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1h50 h ALA 284 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1h50 h ALA 284 CO 0.01 0.21 -0.12 0.35 0.00 0.00 0.00 179.25 179.70 1h50 h PHE 285 N 0.52 1.09 -0.63 0.00 3.57 -1.68 -1.50 116.94 118.32 1h50 h PHE 285 Ca 0.13 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 1h50 h PHE 285 Cb 0.31 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1h50 h PHE 285 CO 0.02 1.03 0.26 0.00 -2.23 0.00 0.00 178.31 177.39 1h50 h ARG 286 N 0.87 0.90 -0.44 1.11 3.08 -0.83 -1.07 114.38 118.01 1h50 h ARG 286 Ca 0.13 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1h50 h ARG 286 Cb 0.68 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1h50 h ARG 286 CO 0.05 0.73 -0.12 1.96 -1.07 0.00 0.00 179.97 181.52 1h50 h GLN 287 N 0.89 0.86 -0.66 0.04 1.08 -0.51 -0.18 115.11 116.63 1h50 h GLN 287 Ca 0.21 -0.33 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 1h50 h GLN 287 Cb 0.15 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1h50 h GLN 287 CO -0.02 0.97 0.26 0.87 -0.95 0.00 0.00 178.83 179.96 1h50 h LYS 288 N 0.69 0.97 -0.08 1.46 1.57 -0.76 -1.40 116.57 119.01 1h50 h LYS 288 Ca 0.11 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1h50 h LYS 288 Cb 0.66 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1h50 h LYS 288 CO 0.05 0.79 -0.08 0.28 -0.57 0.00 0.00 179.45 179.92 1h50 h VAL 289 N 0.95 1.37 -0.57 0.50 2.07 -1.07 -3.18 116.25 116.32 1h50 h VAL 289 Ca 0.22 -1.24 0.12 0.00 0.82 0.00 0.00 66.70 66.62 1h50 h VAL 289 Cb 0.18 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.87 1h50 h VAL 289 CO -0.02 0.35 -0.07 -0.09 0.02 0.00 0.00 177.57 177.76 1h50 h ARG 290 N -0.24 0.06 0.00 1.57 1.12 -0.68 -0.85 114.38 115.36 1h50 h ARG 290 Ca 0.01 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1h50 h ARG 290 Cb 0.59 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1h50 h ARG 290 CO 0.02 0.04 0.00 -0.85 -3.11 0.00 0.00 179.97 176.07 1h50 n GLU 291 N -5.33 0.18 -0.00 0.20 0.28 -0.56 -3.24 120.64 112.17 1h50 n GLU 291 Ca 0.07 0.11 0.08 0.00 -0.16 0.00 0.00 57.16 57.26 1h50 n GLU 291 Cb 0.31 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.58 1h50 n GLU 291 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1h50 n ARG 292 N -1.37 1.20 -5.14 3.44 1.74 -0.35 -4.94 116.66 111.23 1h50 n ARG 292 Ca 0.08 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.83 1h50 n ARG 292 Cb 0.20 -1.33 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 1h50 n ARG 292 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1h50 s PHE 293 N -2.73 2.30 -1.65 -1.55 5.36 -1.03 -4.47 117.98 114.21 1h50 s PHE 293 Ca 0.04 -0.77 0.19 0.00 -0.96 0.00 0.00 56.93 55.43 1h50 s PHE 293 Cb 0.13 -1.53 0.56 0.00 -0.34 0.00 0.00 43.02 41.84 1h50 s PHE 293 CO 0.71 -0.27 1.47 0.72 -1.46 0.00 0.00 175.22 176.39 1h50 n HIS 294 N 3.20 0.87 -3.14 10.12 8.25 -1.26 -4.88 115.22 128.38 1h50 n HIS 294 Ca -0.18 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1h50 n HIS 294 Cb 0.52 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1h50 n HIS 294 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h50 n GLY 295 N 1.32 3.94 3.77 -1.41 0.00 -1.26 -5.09 105.19 106.45 1h50 n GLY 295 Ca 0.21 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1h50 n GLY 295 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h50 s VAL 296 N 0.53 3.15 -0.16 1.61 1.01 -0.96 -4.88 120.40 120.70 1h50 s VAL 296 Ca 0.00 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1h50 s VAL 296 Cb 0.00 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1h50 s VAL 296 CO 0.00 0.20 -0.19 -0.63 0.00 0.00 0.00 175.10 174.48 1h50 s ILE 297 N -1.26 2.26 -0.17 2.22 1.01 -1.26 -0.90 121.20 123.10 1h50 s ILE 297 Ca 0.51 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 1h50 s ILE 297 Cb -0.33 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1h50 s ILE 297 CO 0.43 0.53 -0.01 -0.63 0.00 0.00 0.00 174.94 175.27 1h50 s ILE 298 N 1.03 4.13 0.02 2.92 1.01 -0.23 -0.46 121.20 129.60 1h50 s ILE 298 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 1h50 s ILE 298 Cb -0.14 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 1h50 s ILE 298 CO -0.06 0.48 0.18 -0.83 0.00 0.00 0.00 174.94 174.71 1h50 s GLY 299 N 0.45 2.16 -0.02 6.18 0.00 -0.52 -0.84 107.32 114.74 1h50 s GLY 299 Ca -0.02 -0.81 -0.20 0.00 0.00 0.00 0.00 44.72 43.70 1h50 s GLY 299 CO 0.02 -0.73 0.43 0.00 0.00 0.00 0.00 173.10 172.83 1h50 s ALA 300 N -1.37 -1.10 0.00 3.20 0.00 -0.84 -1.11 121.76 120.53 1h50 s ALA 300 Ca 0.29 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1h50 s ALA 300 Cb -0.13 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1h50 s ALA 300 CO 0.21 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1h50 n GLY 301 N 1.05 1.81 3.36 0.00 0.00 -1.26 -1.68 105.19 108.46 1h50 n GLY 301 Ca -0.20 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 1h50 n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h50 n ALA 302 N 0.00 -1.08 -1.71 4.61 0.00 -1.26 -4.90 120.51 116.18 1h50 n ALA 302 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 1h50 n ALA 302 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 15.97 1h50 n ALA 302 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1h50 s TYR 303 N -3.08 3.08 0.25 0.00 1.51 -1.26 -5.07 117.35 112.78 1h50 s TYR 303 Ca 0.42 1.50 0.11 0.00 -1.01 0.00 0.00 57.07 58.10 1h50 s TYR 303 Cb -0.21 -2.97 -0.05 0.00 -0.11 0.00 0.00 41.96 38.63 1h50 s TYR 303 CO 0.52 -0.96 -0.20 0.95 -1.11 0.00 0.00 175.55 174.75 1h50 s THR 304 N -2.48 2.33 0.34 -0.71 -4.23 -1.26 -5.02 115.64 104.61 1h50 s THR 304 Ca 0.63 -2.29 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 1h50 s THR 304 Cb -0.15 -2.21 0.29 0.00 1.34 0.00 0.00 72.50 71.77 1h50 s THR 304 CO 0.35 -0.36 1.95 0.00 -0.54 0.00 0.00 174.62 176.02 1h50 h ALA 305 N 2.53 1.62 -0.46 3.99 0.00 -1.99 -1.27 119.26 123.68 1h50 h ALA 305 Ca -0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1h50 h ALA 305 Cb 1.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1h50 h ALA 305 CO 0.57 0.27 0.20 0.93 0.00 0.00 0.00 179.25 181.22 1h50 h GLU 306 N 0.87 0.67 -0.72 0.00 3.07 -1.99 -0.72 114.58 115.76 1h50 h GLU 306 Ca 0.33 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 59.02 1h50 h GLU 306 Cb 0.20 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1h50 h GLU 306 CO -0.11 0.60 0.21 -0.22 -1.40 0.00 0.00 179.01 178.08 1h50 h LYS 307 N 0.59 1.13 -0.15 2.33 3.64 -1.78 -0.99 116.57 121.34 1h50 h LYS 307 Ca 0.15 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1h50 h LYS 307 Cb 0.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1h50 h LYS 307 CO -0.02 0.97 0.07 0.00 -2.27 0.00 0.00 179.45 178.20 1h50 h ALA 308 N 1.14 0.20 -0.69 5.00 0.00 -0.94 -1.44 119.26 122.54 1h50 h ALA 308 Ca 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1h50 h ALA 308 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1h50 h ALA 308 CO -0.00 -0.23 0.45 0.93 0.00 0.00 0.00 179.25 180.40 1h50 h GLU 309 N 0.10 0.90 0.22 0.00 4.39 -0.95 0.99 114.58 120.23 1h50 h GLU 309 Ca 0.05 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1h50 h GLU 309 Cb 0.15 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1h50 h GLU 309 CO -0.01 0.60 -0.15 0.22 -1.16 0.00 0.00 179.01 178.51 1h50 h ASP 310 N 0.93 -0.39 0.09 1.42 3.58 -0.96 0.19 116.42 121.28 1h50 h ASP 310 Ca 0.25 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.60 1h50 h ASP 310 Cb -0.10 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1h50 h ASP 310 CO -0.06 -0.24 -0.47 -0.07 -2.88 0.00 0.00 179.24 175.52 1h50 h LEU 311 N -0.37 0.47 -0.53 2.28 3.38 -1.10 -1.80 115.31 117.64 1h50 h LEU 311 Ca -0.02 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 1h50 h LEU 311 Cb 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1h50 h LEU 311 CO 0.00 0.87 -0.40 0.40 0.09 0.00 0.00 178.44 179.41 1h50 h ILE 312 N 0.35 1.29 -0.09 1.22 2.04 -0.72 -1.45 117.51 120.15 1h50 h ILE 312 Ca 0.02 -1.58 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 1h50 h ILE 312 Cb 0.95 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1h50 h ILE 312 CO 0.08 0.51 -0.24 1.23 0.00 0.00 0.00 178.15 179.73 1h50 h GLY 313 N 0.92 0.16 0.70 5.37 0.00 -0.38 -1.53 103.07 108.32 1h50 h GLY 313 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1h50 h GLY 313 CO 0.09 0.10 -0.01 0.28 0.00 0.00 0.00 176.54 177.00 1h50 n LYS 314 N -4.20 1.07 -1.81 4.80 5.02 -0.70 -4.91 118.16 117.43 1h50 n LYS 314 Ca -0.01 -0.24 -0.12 0.00 -2.02 0.00 0.00 58.31 55.91 1h50 n LYS 314 Cb 0.33 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1h50 n LYS 314 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h50 n GLY 315 N 1.10 0.54 0.09 0.72 0.00 -0.57 -4.92 105.19 102.14 1h50 n GLY 315 Ca 0.21 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1h50 n GLY 315 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h50 n LEU 316 N -1.54 1.18 -4.16 0.99 4.77 -0.57 -4.96 117.00 112.71 1h50 n LEU 316 Ca -0.13 0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1h50 n LEU 316 Cb 0.51 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1h50 n LEU 316 CO 0.17 0.48 -0.33 0.27 -1.33 0.00 0.00 177.39 176.65 1h50 s ILE 317 N -2.59 0.34 -0.09 -0.08 -4.36 -1.21 -4.75 121.20 108.46 1h50 s ILE 317 Ca -0.08 -1.91 0.12 0.00 -0.26 0.00 0.00 60.65 58.52 1h50 s ILE 317 Cb 0.08 -1.92 -0.17 0.00 1.25 0.00 0.00 42.46 41.70 1h50 s ILE 317 CO 0.81 -0.62 0.12 0.47 0.24 0.00 0.00 174.94 175.96 1h50 n ASP 318 N -0.09 1.91 -4.01 4.36 8.00 0.39 -4.22 116.55 122.89 1h50 n ASP 318 Ca -0.08 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 1h50 n ASP 318 Cb 0.63 1.05 -0.07 0.00 -0.02 0.00 0.00 41.12 42.71 1h50 n ASP 318 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h50 s ALA 319 N -2.49 0.05 -0.03 2.24 0.00 -1.03 -4.86 121.76 115.65 1h50 s ALA 319 Ca -0.06 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1h50 s ALA 319 Cb 0.05 1.06 -0.00 0.00 0.00 0.00 0.00 23.12 24.23 1h50 s ALA 319 CO 0.53 -0.75 -0.11 0.54 0.00 0.00 0.00 175.76 175.97 1h50 s VAL 320 N -4.02 0.95 -0.23 0.00 0.11 -0.77 -1.43 120.40 115.00 1h50 s VAL 320 Ca 0.23 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.75 1h50 s VAL 320 Cb 0.02 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1h50 s VAL 320 CO 0.07 0.28 0.08 0.00 -3.33 0.00 0.00 175.10 172.19 1h50 s ALA 321 N 0.07 3.25 -0.16 1.54 0.00 -0.27 -0.83 121.76 125.36 1h50 s ALA 321 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 1h50 s ALA 321 Cb -0.08 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1h50 s ALA 321 CO 0.01 -0.30 0.07 -0.06 0.00 0.00 0.00 175.76 175.47 1h50 s PHE 322 N 1.28 3.29 0.00 0.00 0.08 -0.12 -4.39 117.98 118.12 1h50 s PHE 322 Ca 0.05 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1h50 s PHE 322 Cb -0.15 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 1h50 s PHE 322 CO 0.04 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.85 1h50 n GLY 323 N 3.12 -0.19 0.37 4.36 0.00 -1.26 -1.15 105.19 110.44 1h50 n GLY 323 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1h50 n GLY 323 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1h50 h ARG 324 N 0.00 0.60 -0.02 1.61 3.08 -1.96 0.72 114.38 118.41 1h50 h ARG 324 Ca 0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1h50 h ARG 324 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1h50 h ARG 324 CO 0.00 0.39 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.60 1h50 h ASP 325 N 0.61 0.03 0.85 7.04 3.32 -1.97 -2.13 116.42 124.18 1h50 h ASP 325 Ca 0.37 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.24 1h50 h ASP 325 Cb 0.60 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1h50 h ASP 325 CO -0.14 0.28 -0.87 1.88 -1.72 0.00 0.00 179.24 178.68 1h50 h TYR 326 N 0.03 0.01 -0.46 4.55 0.05 -1.08 -0.59 116.97 119.48 1h50 h TYR 326 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1h50 h TYR 326 Cb 0.47 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 1h50 h TYR 326 CO 0.00 0.87 0.28 0.82 -1.05 0.00 0.00 178.16 179.08 1h50 h ILE 327 N 0.00 1.14 -0.00 -2.88 2.04 -0.72 -3.13 117.51 113.96 1h50 h ILE 327 Ca -0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1h50 h ILE 327 Cb 1.53 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1h50 h ILE 327 CO 0.11 0.14 -0.46 0.00 0.00 0.00 0.00 178.15 177.94 1h50 n ALA 328 N -2.24 3.47 -3.55 1.87 0.00 -0.97 -4.72 120.51 114.36 1h50 n ALA 328 Ca 0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 1h50 n ALA 328 Cb 0.05 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 1h50 n ALA 328 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1h50 s ASN 329 N -2.98 3.36 0.35 0.00 0.01 -0.23 -4.41 114.94 111.05 1h50 s ASN 329 Ca 0.12 -1.93 0.04 0.00 -0.71 0.00 0.00 52.86 50.39 1h50 s ASN 329 Cb 0.18 -0.54 0.70 0.00 0.41 0.00 0.00 41.25 42.00 1h50 s ASN 329 CO 0.68 -0.35 1.97 1.55 -1.51 0.00 0.00 177.10 179.44 1h50 h PRO 330 N 7.50 0.78 -1.29 -0.60 0.13 -1.82 -2.32 132.00 134.39 1h50 h PRO 330 Ca -0.05 -0.05 -0.70 0.00 -0.87 0.00 0.00 66.00 64.34 1h50 h PRO 330 Cb 0.98 -0.18 -0.29 0.00 0.13 0.00 0.00 31.00 31.64 1h50 h PRO 330 CO 0.37 0.52 0.83 -0.40 -0.23 0.00 0.00 178.00 179.08 1h50 n ASP 331 N -4.47 7.48 -0.31 1.44 5.75 -1.26 -4.29 116.55 120.90 1h50 n ASP 331 Ca 0.10 -3.80 0.14 0.00 -0.01 0.00 0.00 54.79 51.21 1h50 n ASP 331 Cb 0.17 -0.97 0.37 0.00 -1.03 0.00 0.00 41.12 39.67 1h50 n ASP 331 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1h50 h LEU 332 N 2.31 0.68 0.10 -2.12 5.85 -1.76 -1.41 115.31 118.96 1h50 h LEU 332 Ca 0.58 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.37 1h50 h LEU 332 Cb 0.62 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1h50 h LEU 332 CO 1.50 0.29 -0.12 0.58 -0.34 0.00 0.00 178.44 180.36 1h50 h VAL 333 N 0.69 0.73 -0.75 1.05 2.07 -1.88 -0.03 116.25 118.13 1h50 h VAL 333 Ca 0.51 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.05 1h50 h VAL 333 Cb 0.87 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1h50 h VAL 333 CO -0.27 0.00 0.49 0.00 0.02 0.00 0.00 177.57 177.81 1h50 h ALA 334 N 0.63 0.97 -0.55 1.67 0.00 -1.69 -0.51 119.26 119.78 1h50 h ALA 334 Ca 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1h50 h ALA 334 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1h50 h ALA 334 CO -0.05 0.34 0.08 0.00 0.00 0.00 0.00 179.25 179.62 1h50 h ARG 335 N 0.99 0.92 -0.13 0.00 3.08 -0.96 0.70 114.38 118.98 1h50 h ARG 335 Ca 0.29 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1h50 h ARG 335 Cb -0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1h50 h ARG 335 CO -0.08 0.89 -0.54 -0.07 -1.07 0.00 0.00 179.97 179.10 1h50 h LEU 336 N 0.80 0.42 -0.52 3.04 3.38 -0.78 0.30 115.31 121.95 1h50 h LEU 336 Ca 0.17 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1h50 h LEU 336 Cb 0.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1h50 h LEU 336 CO 0.01 0.88 -0.48 -0.61 0.09 0.00 0.00 178.44 178.33 1h50 h GLN 337 N 0.29 0.65 -0.01 1.13 4.15 -0.86 -2.99 115.11 117.47 1h50 h GLN 337 Ca 0.01 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1h50 h GLN 337 Cb 1.05 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1h50 h GLN 337 CO 0.09 0.99 -0.34 1.63 -1.93 0.00 0.00 178.83 179.27 1h50 n LYS 338 N -4.00 0.61 -3.45 1.69 5.02 0.22 -2.20 118.16 116.05 1h50 n LYS 338 Ca -0.03 -0.36 -0.22 0.00 -2.02 0.00 0.00 58.31 55.68 1h50 n LYS 338 Cb 0.57 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1h50 n LYS 338 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h50 n LYS 339 N -0.88 -7.05 -2.60 1.97 4.76 0.72 -4.88 118.16 110.20 1h50 n LYS 339 Ca 0.10 0.78 -0.26 0.00 -2.87 0.00 0.00 58.31 56.06 1h50 n LYS 339 Cb 0.35 -5.64 0.02 0.00 -1.84 0.00 0.00 35.03 27.91 1h50 n LYS 339 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h50 s ALA 340 N -3.28 3.42 0.70 7.82 0.00 0.65 -5.02 121.76 126.05 1h50 s ALA 340 Ca 0.51 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 1h50 s ALA 340 Cb -0.23 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.39 1h50 s ALA 340 CO 0.63 -0.55 1.07 -1.21 0.00 0.00 0.00 175.76 175.70 1h50 s GLU 341 N -4.82 2.79 0.18 0.00 2.02 -1.26 -4.75 118.70 112.86 1h50 s GLU 341 Ca 0.50 1.10 0.05 0.00 0.02 0.00 0.00 54.97 56.65 1h50 s GLU 341 Cb -0.10 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 1h50 s GLU 341 CO 0.44 -1.22 0.18 -0.51 0.02 0.00 0.00 175.26 174.16 1h50 s LEU 342 N -5.41 3.90 0.47 1.80 1.43 -1.26 -5.00 118.68 114.61 1h50 s LEU 342 Ca 0.61 -0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 53.38 1h50 s LEU 342 Cb -0.16 -2.49 -0.07 0.00 0.03 0.00 0.00 46.19 43.50 1h50 s LEU 342 CO 0.51 0.04 1.15 0.20 0.23 0.00 0.00 176.35 178.47 1h50 s ASN 343 N -3.30 6.11 0.47 2.29 0.01 -1.26 -4.99 114.94 114.27 1h50 s ASN 343 Ca 0.32 2.25 -0.22 0.00 -0.71 0.00 0.00 52.86 54.50 1h50 s ASN 343 Cb -0.10 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 38.89 1h50 s ASN 343 CO 0.25 -0.95 1.08 -2.16 -1.51 0.00 0.00 177.10 173.81 1h50 s PRO 344 N -2.83 3.82 0.33 -0.60 0.04 -1.26 -4.86 135.00 129.63 1h50 s PRO 344 Ca 0.65 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 63.03 1h50 s PRO 344 Cb -0.27 -2.27 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 1h50 s PRO 344 CO 0.32 -0.45 0.83 -0.65 0.04 0.00 0.00 177.00 177.09 1h50 s GLN 345 N -2.92 4.22 -0.63 4.56 -0.21 -1.26 -4.95 119.66 118.47 1h50 s GLN 345 Ca 0.65 0.95 0.05 0.00 0.02 0.00 0.00 55.36 57.03 1h50 s GLN 345 Cb -0.22 -2.53 0.17 0.00 1.00 0.00 0.00 33.01 31.44 1h50 s GLN 345 CO 0.26 0.18 0.46 0.54 -2.12 0.00 0.00 175.29 174.61 1h50 n ARG 346 N -0.04 1.43 -0.17 2.91 1.74 -1.26 -4.98 116.66 116.30 1h50 n ARG 346 Ca 0.03 -4.17 0.25 0.00 -0.77 0.00 0.00 57.85 53.19 1h50 n ARG 346 Cb 0.52 -2.13 0.67 0.00 -1.02 0.00 0.00 32.46 30.50 1h50 n ARG 346 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1h50 h PRO 347 N 5.43 0.09 -0.01 5.56 0.11 -1.99 -2.30 132.00 138.90 1h50 h PRO 347 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1h50 h PRO 347 Cb 0.79 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1h50 h PRO 347 CO 0.63 0.06 0.01 1.05 -0.21 0.00 0.00 178.00 179.55 1h50 h GLU 348 N 0.09 0.00 -0.28 1.05 9.09 -1.99 -2.00 114.58 120.54 1h50 h GLU 348 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 1h50 h GLU 348 Cb 1.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.58 1h50 h GLU 348 CO -0.05 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.88 1h50 n SER 349 N -3.41 4.02 -0.08 3.06 3.41 -0.87 -4.58 113.62 115.17 1h50 n SER 349 Ca -0.03 -3.01 -0.12 0.00 -0.26 0.00 0.00 58.87 55.46 1h50 n SER 349 Cb 0.09 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.44 1h50 n SER 349 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1h50 h PHE 350 N 1.97 0.50 -3.36 7.33 0.04 -1.48 -3.44 116.94 118.50 1h50 h PHE 350 Ca 0.00 -0.11 -0.63 0.00 2.80 0.00 0.00 57.97 60.03 1h50 h PHE 350 Cb 1.48 -0.12 -0.20 0.00 2.20 0.00 0.00 35.95 39.31 1h50 h PHE 350 CO 0.54 0.67 -0.63 0.71 -0.60 0.00 0.00 178.31 179.00 1h50 s TYR 351 N -4.77 3.10 0.09 -0.55 2.02 -1.26 -4.48 117.35 111.49 1h50 s TYR 351 Ca -0.14 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 1h50 s TYR 351 Cb 0.07 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1h50 s TYR 351 CO 0.75 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 175.10 1h50 n GLY 352 N 3.80 -2.08 2.91 0.71 0.00 -0.08 -4.85 105.19 105.60 1h50 n GLY 352 Ca -0.17 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1h50 n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h50 n GLY 353 N -1.73 -0.87 0.00 -0.02 0.00 -1.26 -4.90 105.19 96.41 1h50 n GLY 353 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1h50 n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h50 n GLY 354 N 0.00 4.79 0.32 -0.02 0.00 -1.26 -4.84 105.19 104.18 1h50 n GLY 354 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 1h50 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h50 h ALA 355 N 1.00 1.38 -2.56 4.61 0.00 -1.99 -3.39 119.26 118.31 1h50 h ALA 355 Ca 0.00 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.27 1h50 h ALA 355 Cb 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 17.79 17.58 1h50 h ALA 355 CO 0.00 0.49 1.04 -2.00 0.00 0.00 0.00 179.25 178.78 1h50 s GLU 356 N -5.53 4.15 -0.28 0.00 2.12 -1.26 -0.95 118.70 116.95 1h50 s GLU 356 Ca -0.10 2.54 0.00 0.00 0.36 0.00 0.00 54.97 57.77 1h50 s GLU 356 Cb 0.17 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1h50 s GLU 356 CO 0.78 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1h50 n GLY 357 N 4.06 0.58 1.47 -1.50 0.00 -1.26 -4.86 105.19 103.69 1h50 n GLY 357 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1h50 n GLY 357 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1h50 n TYR 358 N -2.81 -0.50 -0.37 1.61 9.36 -0.13 -4.72 117.16 119.60 1h50 n TYR 358 Ca -0.03 0.09 0.08 0.00 3.32 0.00 0.00 57.90 61.36 1h50 n TYR 358 Cb 0.14 0.25 0.24 0.00 -0.63 0.00 0.00 39.34 39.34 1h50 n TYR 358 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1h50 n THR 359 N -2.91 1.23 0.17 2.97 -2.24 -0.78 -4.55 114.28 108.17 1h50 n THR 359 Ca 0.00 -1.11 0.04 0.00 -2.27 0.00 0.00 64.05 60.72 1h50 n THR 359 Cb 0.00 0.38 0.21 0.00 -2.10 0.00 0.00 70.33 68.82 1h50 n THR 359 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1h50 h ASP 360 N 2.93 0.00 -3.17 3.42 3.58 -1.88 -3.45 116.42 117.85 1h50 h ASP 360 Ca 0.00 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.86 1h50 h ASP 360 Cb 0.97 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.95 1h50 h ASP 360 CO 0.05 0.43 0.68 -0.31 -2.88 0.00 0.00 179.24 177.22 1h50 s TYR 361 N -3.32 3.32 0.64 0.28 2.02 -1.26 -4.93 117.35 114.10 1h50 s TYR 361 Ca 0.02 1.33 -0.13 0.00 -0.37 0.00 0.00 57.07 57.92 1h50 s TYR 361 Cb 0.09 -3.21 -0.02 0.00 -0.40 0.00 0.00 41.96 38.43 1h50 s TYR 361 CO 0.71 -0.46 1.05 -1.25 -1.57 0.00 0.00 175.55 174.03 1h50 s PRO 362 N 3.09 3.18 0.44 -1.71 0.04 -1.26 -4.60 135.00 134.17 1h50 s PRO 362 Ca 0.41 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1h50 s PRO 362 Cb -0.15 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 1h50 s PRO 362 CO 0.07 -0.91 0.64 -1.12 0.04 0.00 0.00 177.00 175.71 1h50 s SER 363 N -3.32 5.80 0.00 6.66 0.01 -1.26 -4.66 113.70 116.93 1h50 s SER 363 Ca 0.60 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1h50 s SER 363 Cb -0.15 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.71 1h50 s SER 363 CO 0.46 -0.69 0.38 0.18 0.41 0.00 0.00 173.24 173.97