#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x55 s ILE 2 N 0.00 4.46 0.44 1.12 2.07 -1.26 -4.99 121.20 123.05 1x55 s ILE 2 Ca 0.00 1.77 -0.24 0.00 -1.41 0.00 0.00 60.65 60.77 1x55 s ILE 2 Cb 0.00 -4.14 -0.08 0.00 0.13 0.00 0.00 42.46 38.37 1x55 s ILE 2 CO 0.00 -0.13 1.21 -1.61 -1.91 0.00 0.00 174.94 172.49 1x55 s GLU 3 N 3.18 3.81 0.26 3.50 0.41 -1.26 -5.03 118.70 123.56 1x55 s GLU 3 Ca 0.50 1.90 0.07 0.00 -0.41 0.00 0.00 54.97 57.03 1x55 s GLU 3 Cb -0.19 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.61 1x55 s GLU 3 CO 0.12 -0.54 0.19 -1.59 -0.49 0.00 0.00 175.26 172.95 1x55 s LYS 4 N -2.54 2.85 -0.21 1.61 -2.85 -1.26 -4.76 119.74 112.58 1x55 s LYS 4 Ca 0.62 -1.11 -0.08 0.00 -1.00 0.00 0.00 55.97 54.39 1x55 s LYS 4 Cb -0.32 -2.52 -0.04 0.00 -2.06 0.00 0.00 37.83 32.89 1x55 s LYS 4 CO 0.39 0.36 0.08 0.08 0.10 0.00 0.00 175.35 176.37 1x55 s VAL 5 N -2.17 4.82 0.54 1.79 1.01 0.30 -4.97 120.40 121.72 1x55 s VAL 5 Ca 0.34 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 1x55 s VAL 5 Cb -0.07 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1x55 s VAL 5 CO 0.25 0.41 1.06 -0.31 0.00 0.00 0.00 175.10 176.51 1x55 s TYR 6 N 0.74 2.94 0.28 5.22 2.02 -1.26 -4.47 117.35 122.83 1x55 s TYR 6 Ca 0.04 1.55 0.02 0.00 -0.37 0.00 0.00 57.07 58.31 1x55 s TYR 6 Cb -0.13 -3.08 0.57 0.00 -0.40 0.00 0.00 41.96 38.92 1x55 s TYR 6 CO 0.02 -1.07 1.83 0.00 -1.57 0.00 0.00 175.55 174.76 1x55 h GLN 8 N 0.98 0.00 0.00 0.00 3.07 -1.89 -2.17 115.11 115.10 1x55 h GLN 8 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.25 1x55 h GLN 8 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 1x55 h GLN 8 CO -0.28 0.00 -0.09 0.39 0.09 0.00 0.00 178.83 178.95 1x55 n GLU 9 N -2.98 0.23 -2.55 0.06 1.02 -0.02 -4.69 120.64 111.70 1x55 n GLU 9 Ca -0.01 0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 1x55 n GLU 9 Cb 0.18 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 1x55 n GLU 9 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x55 s VAL 10 N -3.09 3.76 0.09 2.62 1.01 -0.82 -4.91 120.40 119.06 1x55 s VAL 10 Ca 0.11 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.31 1x55 s VAL 10 Cb 0.13 -4.94 -0.03 0.00 0.00 0.00 0.00 36.38 31.54 1x55 s VAL 10 CO 0.61 -1.87 -0.14 -0.54 0.00 0.00 0.00 175.10 173.16 1x55 s LYS 11 N 5.60 0.90 0.46 2.72 1.02 -1.26 -4.71 119.74 124.48 1x55 s LYS 11 Ca 0.37 -1.09 0.27 0.00 0.02 0.00 0.00 55.97 55.54 1x55 s LYS 11 Cb -0.06 -0.82 1.31 0.00 -0.52 0.00 0.00 37.83 37.74 1x55 s LYS 11 CO 0.10 0.17 1.78 -1.35 -0.92 0.00 0.00 175.35 175.13 1x55 h PRO 12 N 3.90 0.20 0.00 -1.68 0.11 -1.78 0.16 132.00 132.92 1x55 h PRO 12 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1x55 h PRO 12 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1x55 h PRO 12 CO 0.46 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.53 1x55 n GLU 13 N -4.44 0.11 -0.15 1.05 0.00 -1.26 -1.52 120.64 114.43 1x55 n GLU 13 Ca 0.26 0.44 0.06 0.00 0.00 0.00 0.00 57.16 57.91 1x55 n GLU 13 Cb 1.05 -1.75 0.18 0.00 0.00 0.00 0.00 31.44 30.91 1x55 n GLU 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1x55 n LEU 14 N -1.96 1.72 -4.61 -1.84 4.77 0.57 -4.96 117.00 110.68 1x55 n LEU 14 Ca 0.01 -0.84 -0.56 0.00 -0.03 0.00 0.00 56.01 54.60 1x55 n LEU 14 Cb 0.14 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1x55 n LEU 14 CO 0.13 0.42 0.94 -0.67 -1.33 0.00 0.00 177.39 176.89 1x55 n ASP 15 N 0.43 1.44 0.00 -1.43 2.03 -0.57 -0.83 116.55 117.62 1x55 n ASP 15 Ca 0.12 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.55 1x55 n ASP 15 Cb 0.28 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 1x55 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x55 n GLY 16 N 2.77 0.85 3.88 0.27 0.00 0.81 -4.98 105.19 108.80 1x55 n GLY 16 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1x55 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x55 s LYS 17 N -0.31 3.66 0.11 1.61 1.02 -0.01 -4.81 119.74 121.01 1x55 s LYS 17 Ca 0.00 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 1x55 s LYS 17 Cb 0.00 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.27 1x55 s LYS 17 CO 0.00 0.56 1.06 0.15 -0.92 0.00 0.00 175.35 176.20 1x55 s LYS 18 N -2.11 4.59 0.11 1.68 1.02 -1.26 -0.91 119.74 122.87 1x55 s LYS 18 Ca 0.34 1.61 0.04 0.00 0.02 0.00 0.00 55.97 57.98 1x55 s LYS 18 Cb -0.13 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1x55 s LYS 18 CO 0.20 0.04 -0.10 0.14 -0.92 0.00 0.00 175.35 174.70 1x55 s VAL 19 N 0.23 1.00 -0.27 3.17 -7.23 0.09 -4.96 120.40 112.42 1x55 s VAL 19 Ca 0.51 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1x55 s VAL 19 Cb -0.27 -1.58 0.07 0.00 0.56 0.00 0.00 36.38 35.16 1x55 s VAL 19 CO 0.32 -0.66 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.77 1x55 s ARG 20 N -3.26 2.03 0.36 4.82 3.52 -1.26 -1.82 118.95 123.35 1x55 s ARG 20 Ca 0.10 -1.38 -0.13 0.00 -0.13 0.00 0.00 55.73 54.19 1x55 s ARG 20 Cb 0.00 -2.89 -0.08 0.00 -1.56 0.00 0.00 34.95 30.42 1x55 s ARG 20 CO -0.00 -0.63 0.76 -0.51 -0.81 0.00 0.00 175.30 174.10 1x55 s LEU 21 N 1.11 3.95 -0.08 -0.88 1.43 0.12 -0.54 118.68 123.80 1x55 s LEU 21 Ca -0.05 1.24 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1x55 s LEU 21 Cb -0.20 -4.08 0.04 0.00 0.03 0.00 0.00 46.19 41.99 1x55 s LEU 21 CO -0.06 -0.30 0.16 0.00 0.23 0.00 0.00 176.35 176.39 1x55 s ALA 22 N -2.16 -0.23 0.00 4.21 0.00 -1.26 -1.16 121.76 121.15 1x55 s ALA 22 Ca 0.53 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1x55 s ALA 22 Cb -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1x55 s ALA 22 CO 0.23 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1x55 n GLY 23 N 4.86 -0.72 3.10 0.00 0.00 -0.73 -4.78 105.19 106.93 1x55 n GLY 23 Ca -0.14 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 1x55 n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x55 s TRP 24 N -3.97 1.17 0.05 1.61 0.51 -0.48 -0.86 118.94 116.97 1x55 s TRP 24 Ca 0.00 -0.25 -0.31 0.00 -2.12 0.00 0.00 56.10 53.42 1x55 s TRP 24 Cb 0.00 -0.74 -0.07 0.00 -0.81 0.00 0.00 33.47 31.85 1x55 s TRP 24 CO 0.00 -0.01 1.54 0.08 -0.51 0.00 0.00 176.95 178.05 1x55 s VAL 25 N -0.45 3.28 -0.20 4.03 1.01 0.05 -0.29 120.40 127.83 1x55 s VAL 25 Ca 0.04 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 1x55 s VAL 25 Cb -0.06 -3.48 -0.20 0.00 0.00 0.00 0.00 36.38 32.65 1x55 s VAL 25 CO -0.00 0.01 0.10 0.00 0.00 0.00 0.00 175.10 175.21 1x55 n TYR 26 N 5.30 0.78 -3.75 5.22 4.19 0.19 -0.71 117.16 128.37 1x55 n TYR 26 Ca 0.14 0.25 -0.11 0.00 3.31 0.00 0.00 57.90 61.50 1x55 n TYR 26 Cb 0.42 -1.09 -0.07 0.00 0.49 0.00 0.00 39.34 39.09 1x55 n TYR 26 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1x55 s THR 27 N -2.47 0.09 -0.14 2.97 -4.23 -1.14 -4.79 115.64 105.94 1x55 s THR 27 Ca -0.29 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 1x55 s THR 27 Cb 0.08 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.93 1x55 s THR 27 CO 0.63 -0.42 0.06 0.21 -0.54 0.00 0.00 174.62 174.57 1x55 s ASN 28 N -2.32 2.15 -0.01 3.99 3.84 -1.26 -0.85 114.94 120.49 1x55 s ASN 28 Ca -0.02 -0.47 0.00 0.00 0.21 0.00 0.00 52.86 52.59 1x55 s ASN 28 Cb 0.01 -0.32 0.00 0.00 -0.55 0.00 0.00 41.25 40.39 1x55 s ASN 28 CO -0.06 -0.30 -0.01 0.00 -2.79 0.00 0.00 177.10 173.94 1x55 s MET 29 N 2.06 0.11 -0.09 0.43 0.23 -0.37 -5.00 119.30 116.67 1x55 s MET 29 Ca 0.02 -0.01 -0.30 0.00 -1.03 0.00 0.00 55.69 54.38 1x55 s MET 29 Cb -0.15 -0.15 -0.02 0.00 -1.53 0.00 0.00 34.83 32.98 1x55 s MET 29 CO -0.07 -0.01 1.03 0.50 -2.03 0.00 0.00 175.02 174.44 1x55 s ARG 30 N 0.18 4.42 -0.20 3.16 3.52 -1.26 -0.25 118.95 128.52 1x55 s ARG 30 Ca -0.01 1.43 0.01 0.00 -0.13 0.00 0.00 55.73 57.03 1x55 s ARG 30 Cb -0.03 -3.54 0.05 0.00 -1.56 0.00 0.00 34.95 29.87 1x55 s ARG 30 CO -0.01 -0.31 -0.08 0.08 -0.81 0.00 0.00 175.30 174.17 1x55 s VAL 31 N 1.96 1.50 0.00 7.11 1.01 0.28 -4.95 120.40 127.31 1x55 s VAL 31 Ca 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1x55 s VAL 31 Cb -0.19 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1x55 s VAL 31 CO 0.19 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1x55 n GLY 32 N 4.72 3.38 0.25 4.51 0.00 -1.26 -1.61 105.19 115.18 1x55 n GLY 32 Ca -0.13 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 45.91 1x55 n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x55 n LYS 33 N 14.00 1.12 -4.15 1.61 5.02 -1.26 -4.94 118.16 129.56 1x55 n LYS 33 Ca 0.00 -0.51 -0.23 0.00 -2.02 0.00 0.00 58.31 55.55 1x55 n LYS 33 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 1x55 n LYS 33 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x55 s LYS 34 N -2.23 2.79 -0.22 1.97 1.02 -0.63 -4.70 119.74 117.74 1x55 s LYS 34 Ca 0.34 -1.11 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 1x55 s LYS 34 Cb 0.21 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 1x55 s LYS 34 CO 0.42 0.40 0.07 0.42 -0.92 0.00 0.00 175.35 175.74 1x55 s ILE 35 N -2.12 4.54 -0.37 2.17 1.01 -0.59 -0.56 121.20 125.28 1x55 s ILE 35 Ca 0.32 -0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 1x55 s ILE 35 Cb -0.08 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.30 1x55 s ILE 35 CO 0.24 0.38 0.25 -0.36 0.00 0.00 0.00 174.94 175.45 1x55 s PHE 36 N 1.11 3.23 -0.25 3.97 0.40 0.66 -0.10 117.98 127.00 1x55 s PHE 36 Ca 0.04 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.78 1x55 s PHE 36 Cb -0.14 -2.50 -0.04 0.00 0.51 0.00 0.00 43.02 40.85 1x55 s PHE 36 CO 0.03 -0.50 0.12 -0.51 0.70 0.00 0.00 175.22 175.06 1x55 s LEU 37 N 1.67 3.75 -0.17 -0.37 1.43 0.01 -1.23 118.68 123.77 1x55 s LEU 37 Ca 0.05 -0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 1x55 s LEU 37 Cb -0.18 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1x55 s LEU 37 CO 0.09 0.00 0.55 0.26 0.23 0.00 0.00 176.35 177.48 1x55 s TRP 38 N 1.41 3.42 -0.19 0.29 0.52 -0.03 -0.71 118.94 123.64 1x55 s TRP 38 Ca 0.06 0.88 -0.04 0.00 0.02 0.00 0.00 56.10 57.02 1x55 s TRP 38 Cb -0.15 -2.68 -0.02 0.00 -1.15 0.00 0.00 33.47 29.47 1x55 s TRP 38 CO 0.06 -0.03 -0.04 0.42 0.02 0.00 0.00 176.95 177.38 1x55 s ILE 39 N 1.38 3.62 -0.01 2.03 -1.09 -0.26 0.52 121.20 127.39 1x55 s ILE 39 Ca 0.27 -0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 58.21 1x55 s ILE 39 Cb -0.16 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 1x55 s ILE 39 CO 0.11 0.44 0.22 0.00 -1.23 0.00 0.00 174.94 174.48 1x55 s ARG 40 N 1.03 3.50 0.00 2.79 1.70 0.60 -1.11 118.95 127.47 1x55 s ARG 40 Ca 0.01 -0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.07 1x55 s ARG 40 Cb -0.15 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.15 1x55 s ARG 40 CO 0.01 0.67 0.00 -0.40 -1.08 0.00 0.00 175.30 174.49 1x55 n ASP 41 N 1.07 0.45 0.22 -2.89 3.85 -0.55 -1.39 116.55 117.31 1x55 n ASP 41 Ca -0.11 -0.49 0.15 0.00 -0.71 0.00 0.00 54.79 53.62 1x55 n ASP 41 Cb 0.53 0.00 0.75 0.00 -1.35 0.00 0.00 41.12 41.04 1x55 n ASP 41 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1x55 h SER 42 N 0.00 0.00 0.00 -1.12 4.64 -1.99 -3.21 113.55 111.87 1x55 h SER 42 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x55 h SER 42 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1x55 h SER 42 CO 0.00 0.00 -0.74 0.35 -0.87 0.00 0.00 176.83 175.57 1x55 n THR 43 N -2.58 0.00 -3.98 2.95 -2.24 -1.26 -5.11 114.28 102.06 1x55 n THR 43 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1x55 n THR 43 Cb 0.12 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1x55 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x55 n GLY 44 N 1.41 -0.81 3.10 3.38 0.00 -1.22 -4.20 105.19 106.86 1x55 n GLY 44 Ca 0.01 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 1x55 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x55 s ILE 45 N -3.00 1.33 -0.01 -0.61 1.01 -1.26 -1.48 121.20 117.17 1x55 s ILE 45 Ca 0.00 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1x55 s ILE 45 Cb 0.00 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 1x55 s ILE 45 CO 0.00 0.39 -0.20 -0.69 0.00 0.00 0.00 174.94 174.44 1x55 s VAL 46 N 0.18 1.58 -0.31 2.92 1.01 -0.27 -4.90 120.40 120.61 1x55 s VAL 46 Ca -0.06 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 1x55 s VAL 46 Cb -0.12 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1x55 s VAL 46 CO 0.03 0.44 0.92 -1.58 0.00 0.00 0.00 175.10 174.91 1x55 s GLN 47 N -0.48 4.02 -0.22 2.72 0.74 -1.26 -1.10 119.66 124.08 1x55 s GLN 47 Ca 0.08 0.84 -0.05 0.00 0.05 0.00 0.00 55.36 56.27 1x55 s GLN 47 Cb -0.08 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 1x55 s GLN 47 CO -0.01 -0.77 -0.01 0.00 -0.55 0.00 0.00 175.29 173.95 1x55 s ALA 48 N 3.27 2.94 -0.27 1.58 0.00 0.11 -0.67 121.76 128.72 1x55 s ALA 48 Ca 0.39 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 1x55 s ALA 48 Cb -0.13 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 1x55 s ALA 48 CO 0.13 -0.36 0.23 0.08 0.00 0.00 0.00 175.76 175.85 1x55 s VAL 49 N 1.37 5.28 -0.31 0.00 1.01 0.78 -0.81 120.40 127.72 1x55 s VAL 49 Ca 0.04 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1x55 s VAL 49 Cb -0.15 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1x55 s VAL 49 CO -0.00 0.25 0.03 -0.69 0.00 0.00 0.00 175.10 174.68 1x55 s VAL 50 N 1.68 3.25 -0.17 2.92 1.01 0.86 -0.80 120.40 129.15 1x55 s VAL 50 Ca 0.09 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 1x55 s VAL 50 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1x55 s VAL 50 CO 0.09 -0.11 0.03 0.00 0.00 0.00 0.00 175.10 175.11 1x55 s ALA 51 N 1.31 3.27 0.24 5.51 0.00 -1.26 -1.55 121.76 129.28 1x55 s ALA 51 Ca -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1x55 s ALA 51 Cb -0.19 -1.78 0.39 0.00 0.00 0.00 0.00 23.12 21.54 1x55 s ALA 51 CO 0.00 0.21 1.80 -0.22 0.00 0.00 0.00 175.76 177.55 1x55 h LYS 52 N 6.64 0.72 0.00 0.00 3.64 -1.88 -0.98 116.57 124.70 1x55 h LYS 52 Ca -0.35 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1x55 h LYS 52 Cb 1.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1x55 h LYS 52 CO 0.68 0.48 0.00 0.27 -2.27 0.00 0.00 179.45 178.60 1x55 n ASN 53 N -4.78 0.00 -0.14 4.20 0.23 -1.26 -0.51 115.26 113.00 1x55 n ASN 53 Ca 0.13 0.28 -0.29 0.00 -0.53 0.00 0.00 54.58 54.17 1x55 n ASN 53 Cb 0.29 -0.41 -0.10 0.00 -2.08 0.00 0.00 39.78 37.47 1x55 n ASN 53 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1x55 n VAL 54 N -1.41 1.53 0.53 3.53 0.31 -0.49 -4.66 118.33 117.67 1x55 n VAL 54 Ca 0.07 -0.37 0.11 0.00 -0.01 0.00 0.00 64.34 64.15 1x55 n VAL 54 Cb 0.21 -1.88 0.04 0.00 -0.91 0.00 0.00 33.84 31.30 1x55 n VAL 54 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1x55 n VAL 55 N -4.24 0.22 0.00 2.52 0.24 -0.53 -5.01 118.33 111.53 1x55 n VAL 55 Ca -0.53 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1x55 n VAL 55 Cb 0.88 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 1x55 n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x55 n GLY 56 N 1.35 -0.71 0.27 7.63 0.00 0.33 -4.36 105.19 109.70 1x55 n GLY 56 Ca 0.02 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 1x55 n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x55 h GLU 57 N 0.00 0.85 0.06 1.61 5.08 -1.97 -0.66 114.58 119.54 1x55 h GLU 57 Ca 0.00 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1x55 h GLU 57 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1x55 h GLU 57 CO 0.00 0.97 -0.03 1.49 -1.00 0.00 0.00 179.01 180.44 1x55 h GLU 58 N 0.74 -0.07 -0.53 2.33 4.81 -1.96 -0.18 114.58 119.72 1x55 h GLU 58 Ca 0.11 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1x55 h GLU 58 Cb 0.72 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1x55 h GLU 58 CO 0.06 0.07 -0.10 1.15 -0.73 0.00 0.00 179.01 179.45 1x55 h THR 59 N -0.20 1.27 -0.37 0.32 2.02 -1.74 -2.14 112.91 112.06 1x55 h THR 59 Ca -0.01 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1x55 h THR 59 Cb 0.17 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1x55 h THR 59 CO 0.01 0.44 0.23 0.15 0.37 0.00 0.00 175.52 176.72 1x55 h PHE 60 N 0.89 0.43 -0.80 3.16 3.57 -0.92 -0.66 116.94 122.61 1x55 h PHE 60 Ca 0.14 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1x55 h PHE 60 Cb 0.65 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1x55 h PHE 60 CO 0.04 0.26 0.37 0.93 -2.23 0.00 0.00 178.31 177.68 1x55 h GLU 61 N 0.46 1.16 -0.73 1.11 4.39 -0.91 -2.39 114.58 117.67 1x55 h GLU 61 Ca 0.14 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1x55 h GLU 61 Cb -0.02 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.39 1x55 h GLU 61 CO -0.05 0.90 0.32 0.87 -1.16 0.00 0.00 179.01 179.88 1x55 h LYS 62 N 1.15 1.07 -0.26 2.33 1.57 -1.02 -2.80 116.57 118.61 1x55 h LYS 62 Ca 0.27 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1x55 h LYS 62 Cb 0.13 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1x55 h LYS 62 CO -0.03 0.86 0.00 0.00 -0.57 0.00 0.00 179.45 179.71 1x55 h ALA 63 N 1.15 1.54 -0.05 3.86 0.00 -0.75 -2.23 119.26 122.79 1x55 h ALA 63 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1x55 h ALA 63 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x55 h ALA 63 CO -0.03 0.34 -0.07 0.87 0.00 0.00 0.00 179.25 180.36 1x55 h LYS 64 N 0.37 0.07 -0.04 0.00 1.57 -1.16 -2.86 116.57 114.52 1x55 h LYS 64 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1x55 h LYS 64 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1x55 h LYS 64 CO 0.01 0.15 0.00 1.63 -0.57 0.00 0.00 179.45 180.66 1x55 n LYS 65 N -4.41 1.71 -2.70 3.15 5.02 -0.84 -4.86 118.16 115.23 1x55 n LYS 65 Ca -0.02 -1.04 -0.43 0.00 -2.02 0.00 0.00 58.31 54.80 1x55 n LYS 65 Cb 0.17 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1x55 n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x55 s LEU 66 N -1.94 3.82 0.80 -0.35 1.43 -1.08 -4.77 118.68 116.59 1x55 s LEU 66 Ca 0.37 0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 1x55 s LEU 66 Cb 0.20 -3.40 0.16 0.00 0.03 0.00 0.00 46.19 43.18 1x55 s LEU 66 CO 0.32 -1.10 1.09 -0.83 0.23 0.00 0.00 176.35 176.06 1x55 s GLY 67 N 2.25 1.76 0.30 -3.19 0.00 -0.30 -4.74 107.32 103.40 1x55 s GLY 67 Ca 0.43 -1.74 -0.29 0.00 0.00 0.00 0.00 44.72 43.11 1x55 s GLY 67 CO 0.27 -1.08 1.44 0.54 0.00 0.00 0.00 173.10 174.27 1x55 n ARG 68 N -3.10 2.36 -0.94 2.90 1.74 -1.26 -2.06 116.66 116.30 1x55 n ARG 68 Ca 0.17 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 1x55 n ARG 68 Cb 0.60 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 1x55 n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1x55 n GLU 69 N 1.42 -0.21 -1.66 5.56 -0.58 0.11 -4.52 120.64 120.76 1x55 n GLU 69 Ca 0.07 0.05 -0.47 0.00 -0.42 0.00 0.00 57.16 56.39 1x55 n GLU 69 Cb 0.35 -3.19 -0.04 0.00 -0.57 0.00 0.00 31.44 27.99 1x55 n GLU 69 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x55 n SER 70 N -0.11 2.95 -4.71 1.62 7.64 -0.88 -4.61 113.62 115.53 1x55 n SER 70 Ca 0.00 1.07 -0.39 0.00 1.01 0.00 0.00 58.87 60.57 1x55 n SER 70 Cb 0.05 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 61.81 1x55 n SER 70 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x55 s SER 71 N 1.25 6.78 0.03 6.43 1.04 -0.01 -0.77 113.70 128.45 1x55 s SER 71 Ca 0.81 0.93 0.00 0.00 0.48 0.00 0.00 55.95 58.18 1x55 s SER 71 Cb -0.72 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.04 1x55 s SER 71 CO 0.41 -0.09 -0.04 0.68 0.98 0.00 0.00 173.24 175.17 1x55 s VAL 72 N 0.96 0.24 -0.13 5.02 -7.23 -0.04 -0.37 120.40 118.85 1x55 s VAL 72 Ca 0.30 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1x55 s VAL 72 Cb -0.16 -0.50 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 1x55 s VAL 72 CO 0.13 -0.53 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.62 1x55 s ILE 73 N -1.73 2.95 -0.16 -0.62 -1.09 0.36 -1.77 121.20 119.14 1x55 s ILE 73 Ca -0.12 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1x55 s ILE 73 Cb -0.08 -2.23 0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1x55 s ILE 73 CO -0.02 0.53 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.40 1x55 s VAL 74 N 0.35 1.55 -0.07 2.92 1.01 -0.31 -0.26 120.40 125.59 1x55 s VAL 74 Ca -0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 1x55 s VAL 74 Cb -0.16 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1x55 s VAL 74 CO 0.06 0.40 -0.04 -1.61 0.00 0.00 0.00 175.10 173.91 1x55 s GLU 75 N 1.48 2.84 -0.00 2.72 2.02 -0.30 0.15 118.70 127.60 1x55 s GLU 75 Ca 0.04 -0.50 -0.21 0.00 0.02 0.00 0.00 54.97 54.32 1x55 s GLU 75 Cb -0.13 -2.67 0.07 0.00 0.10 0.00 0.00 34.13 31.49 1x55 s GLU 75 CO -0.10 0.68 0.96 0.41 0.02 0.00 0.00 175.26 177.23 1x55 n GLY 76 N 2.14 0.35 3.60 -1.39 0.00 -0.75 -0.31 105.19 108.82 1x55 n GLY 76 Ca -0.18 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1x55 n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x55 s ILE 77 N -2.06 4.54 0.23 -0.61 1.09 -0.72 -0.73 121.20 122.94 1x55 s ILE 77 Ca 0.23 -0.12 -0.30 0.00 -1.10 0.00 0.00 60.65 59.35 1x55 s ILE 77 Cb -0.01 -3.03 -0.09 0.00 -1.06 0.00 0.00 42.46 38.27 1x55 s ILE 77 CO -0.00 0.47 1.28 -0.69 -0.10 0.00 0.00 174.94 175.90 1x55 s VAL 78 N 0.33 3.17 -0.11 2.92 1.01 -0.09 -0.32 120.40 127.31 1x55 s VAL 78 Ca 0.01 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1x55 s VAL 78 Cb -0.13 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1x55 s VAL 78 CO 0.01 0.18 -0.12 -0.75 0.00 0.00 0.00 175.10 174.41 1x55 s LYS 79 N -0.56 1.92 0.09 2.72 2.20 0.36 -0.13 119.74 126.34 1x55 s LYS 79 Ca 0.54 -0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 55.39 1x55 s LYS 79 Cb -0.36 -1.73 -0.08 0.00 -1.51 0.00 0.00 37.83 34.15 1x55 s LYS 79 CO 0.41 -0.12 1.45 0.00 -0.36 0.00 0.00 175.35 176.73 1x55 s ALA 80 N 1.18 3.63 -0.28 3.13 0.00 -1.26 -1.36 121.76 126.78 1x55 s ALA 80 Ca -0.04 1.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.98 1x55 s ALA 80 Cb -0.14 -3.58 0.15 0.00 0.00 0.00 0.00 23.12 19.54 1x55 s ALA 80 CO -0.03 -0.77 0.59 0.34 0.00 0.00 0.00 175.76 175.88 1x55 s ASP 81 N 1.47 -1.04 0.49 0.00 3.68 -0.33 -4.95 116.67 116.00 1x55 s ASP 81 Ca 0.66 1.16 0.33 0.00 2.13 0.00 0.00 52.55 56.83 1x55 s ASP 81 Cb -0.37 2.07 1.78 0.00 -1.45 0.00 0.00 42.92 44.95 1x55 s ASP 81 CO 0.30 -0.24 2.00 -0.33 0.13 0.00 0.00 175.17 177.03 1x55 h GLU 82 N 8.03 0.00 0.00 4.34 4.39 -1.95 -1.62 114.58 127.78 1x55 h GLU 82 Ca -0.20 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.36 1x55 h GLU 82 Cb 1.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1x55 h GLU 82 CO 0.17 0.00 -0.85 -0.09 -1.16 0.00 0.00 179.01 177.09 1x55 h ARG 83 N 0.00 0.00 -7.22 2.33 9.65 -1.96 -3.43 114.38 113.75 1x55 h ARG 83 Ca 0.00 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.40 1x55 h ARG 83 Cb 0.01 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 28.63 1x55 h ARG 83 CO 0.00 0.55 0.38 0.00 2.80 0.00 0.00 179.97 183.70 1x55 s ALA 84 N -2.89 2.95 0.10 2.80 0.00 -0.61 -4.96 121.76 119.15 1x55 s ALA 84 Ca 0.02 0.21 -0.34 0.00 0.00 0.00 0.00 51.96 51.85 1x55 s ALA 84 Cb 0.08 -3.15 -0.13 0.00 0.00 0.00 0.00 23.12 19.92 1x55 s ALA 84 CO 0.78 -0.52 1.67 -2.30 0.00 0.00 0.00 175.76 175.39 1x55 n PRO 85 N -1.94 2.22 -0.97 0.00 -0.02 -1.26 -0.92 135.00 132.11 1x55 n PRO 85 Ca 0.07 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1x55 n PRO 85 Cb 0.54 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1x55 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x55 n GLY 86 N 3.72 0.59 2.37 -1.23 0.00 -1.26 -3.55 105.19 105.82 1x55 n GLY 86 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 1x55 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x55 n GLY 87 N -2.26 0.84 3.48 -0.02 0.00 -0.09 -4.45 105.19 102.69 1x55 n GLY 87 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 1x55 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x55 s ALA 88 N -2.07 -1.44 0.30 4.61 0.00 -1.23 -1.18 121.76 120.75 1x55 s ALA 88 Ca 0.00 1.73 0.05 0.00 0.00 0.00 0.00 51.96 53.74 1x55 s ALA 88 Cb 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 1x55 s ALA 88 CO 0.00 -0.29 0.00 -1.83 0.00 0.00 0.00 175.76 173.65 1x55 s GLU 89 N 0.63 1.61 -0.19 0.00 -1.05 -0.47 -4.57 118.70 114.66 1x55 s GLU 89 Ca -0.03 -1.86 -0.04 0.00 -0.15 0.00 0.00 54.97 52.90 1x55 s GLU 89 Cb -0.05 -1.02 -0.02 0.00 -0.44 0.00 0.00 34.13 32.60 1x55 s GLU 89 CO -0.04 -0.08 -0.04 0.08 0.95 0.00 0.00 175.26 176.14 1x55 s VAL 90 N -3.15 3.63 -0.47 1.83 1.01 0.16 -0.49 120.40 122.93 1x55 s VAL 90 Ca 0.33 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 1x55 s VAL 90 Cb 0.07 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.85 1x55 s VAL 90 CO 0.14 0.45 0.87 -1.00 0.00 0.00 0.00 175.10 175.55 1x55 s HIS 91 N 0.98 2.94 0.07 5.22 3.76 0.56 -0.16 115.29 128.66 1x55 s HIS 91 Ca 0.00 0.24 -0.31 0.00 -0.15 0.00 0.00 55.06 54.85 1x55 s HIS 91 Cb -0.15 -3.86 -0.08 0.00 1.11 0.00 0.00 32.58 29.61 1x55 s HIS 91 CO 0.01 -1.09 1.58 0.08 -0.85 0.00 0.00 174.74 174.47 1x55 s VAL 92 N 3.58 3.12 -0.24 -0.90 1.01 0.02 -1.75 120.40 125.25 1x55 s VAL 92 Ca 0.33 0.62 0.05 0.00 0.00 0.00 0.00 61.98 62.99 1x55 s VAL 92 Cb -0.11 -3.40 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 1x55 s VAL 92 CO 0.24 0.01 -0.16 -0.62 0.00 0.00 0.00 175.10 174.57 1x55 n GLU 93 N 5.21 0.67 -3.92 2.72 -0.58 0.57 -4.69 120.64 120.63 1x55 n GLU 93 Ca 0.15 0.11 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1x55 n GLU 93 Cb 0.41 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.64 1x55 n GLU 93 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1x55 s LYS 94 N -2.49 0.10 -0.13 3.49 2.36 -0.52 -4.70 119.74 117.85 1x55 s LYS 94 Ca -0.28 -0.01 -0.00 0.00 -2.55 0.00 0.00 55.97 53.12 1x55 s LYS 94 Cb 0.08 -0.14 0.03 0.00 -1.05 0.00 0.00 37.83 36.75 1x55 s LYS 94 CO 0.62 -0.00 -0.08 -1.17 1.55 0.00 0.00 175.35 176.26 1x55 s LEU 95 N 0.15 1.38 -0.28 5.43 2.96 -1.26 -1.15 118.68 125.92 1x55 s LEU 95 Ca -0.01 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 1x55 s LEU 95 Cb -0.03 -0.92 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 1x55 s LEU 95 CO -0.00 -0.12 0.07 -0.70 -1.32 0.00 0.00 176.35 174.27 1x55 s GLU 96 N 1.65 3.29 -0.39 1.98 2.12 0.64 -5.00 118.70 122.98 1x55 s GLU 96 Ca 0.04 -0.72 -0.23 0.00 0.36 0.00 0.00 54.97 54.41 1x55 s GLU 96 Cb -0.13 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1x55 s GLU 96 CO -0.09 -0.35 0.80 0.08 -0.54 0.00 0.00 175.26 175.16 1x55 s VAL 97 N 1.53 4.69 -0.09 3.70 1.01 -1.26 -0.49 120.40 129.49 1x55 s VAL 97 Ca 0.04 0.76 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1x55 s VAL 97 Cb -0.16 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 1x55 s VAL 97 CO 0.02 -0.54 0.40 0.40 0.00 0.00 0.00 175.10 175.39 1x55 h ILE 98 N 5.84 0.50 -3.21 2.22 2.04 -1.06 -3.46 117.51 120.38 1x55 h ILE 98 Ca -0.25 -1.22 -0.29 0.00 1.00 0.00 0.00 64.86 64.10 1x55 h ILE 98 Cb 1.09 0.92 -0.35 0.00 -0.74 0.00 0.00 36.82 37.74 1x55 h ILE 98 CO 0.93 0.16 -0.65 -1.58 0.00 0.00 0.00 178.15 177.01 1x55 s GLN 99 N -2.29 0.03 0.29 2.37 0.74 -0.98 -4.98 119.66 114.84 1x55 s GLN 99 Ca -0.07 0.44 -0.28 0.00 0.05 0.00 0.00 55.36 55.51 1x55 s GLN 99 Cb -0.00 -0.28 -0.09 0.00 1.10 0.00 0.00 33.01 33.74 1x55 s GLN 99 CO 0.26 -0.25 0.96 0.00 -0.55 0.00 0.00 175.29 175.70 1x55 s ALA 100 N 1.82 3.26 0.00 1.58 0.00 -1.26 -0.83 121.76 126.34 1x55 s ALA 100 Ca -0.02 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1x55 s ALA 100 Cb -0.12 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1x55 s ALA 100 CO -0.05 0.15 -0.07 0.08 0.00 0.00 0.00 175.76 175.87 1x55 s VAL 101 N -1.43 0.57 0.00 0.00 1.01 -1.26 -4.92 120.40 114.37 1x55 s VAL 101 Ca 0.47 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1x55 s VAL 101 Cb -0.22 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1x55 s VAL 101 CO 0.28 0.09 0.00 -1.54 0.00 0.00 0.00 175.10 173.93 1x55 n SER 102 N 2.70 0.22 -2.55 3.32 3.41 -1.26 -1.15 113.62 118.31 1x55 n SER 102 Ca -0.14 -0.20 -0.17 0.00 -0.26 0.00 0.00 58.87 58.09 1x55 n SER 102 Cb 0.57 0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.99 1x55 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x55 n GLU 103 N -0.47 2.34 -1.71 4.33 1.02 -1.26 -4.86 120.64 120.02 1x55 n GLU 103 Ca 0.00 -3.88 -0.42 0.00 -0.02 0.00 0.00 57.16 52.84 1x55 n GLU 103 Cb 0.00 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1x55 n GLU 103 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1x55 s PHE 104 N -3.38 1.85 -1.69 -0.32 5.36 -1.26 -4.87 117.98 113.67 1x55 s PHE 104 Ca 0.38 -0.16 0.27 0.00 -0.96 0.00 0.00 56.93 56.46 1x55 s PHE 104 Cb 0.42 -4.19 1.49 0.00 -0.34 0.00 0.00 43.02 40.40 1x55 s PHE 104 CO -0.07 -5.06 1.95 -0.35 -1.46 0.00 0.00 175.22 170.24 1x55 n PRO 105 N 6.36 0.60 -3.47 10.12 -0.04 -1.26 -4.64 135.00 142.67 1x55 n PRO 105 Ca 0.18 0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 63.29 1x55 n PRO 105 Cb 0.39 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 1x55 n PRO 105 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x55 s ILE 106 N -2.31 5.26 0.84 0.52 -1.09 -1.26 -5.05 121.20 118.11 1x55 s ILE 106 Ca 0.33 0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 59.25 1x55 s ILE 106 Cb 0.18 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.49 1x55 s ILE 106 CO 0.37 0.33 1.17 -2.84 -1.23 0.00 0.00 174.94 172.74 1x55 s PRO 107 N 0.81 1.48 0.29 2.79 0.02 -1.26 -4.92 135.00 134.20 1x55 s PRO 107 Ca 0.18 1.64 0.02 0.00 0.02 0.00 0.00 61.00 62.86 1x55 s PRO 107 Cb -0.14 -1.77 0.57 0.00 0.02 0.00 0.00 34.50 33.18 1x55 s PRO 107 CO 0.06 -2.31 1.84 0.93 -0.33 0.00 0.00 177.00 177.20 1x55 h GLU 108 N -1.24 0.95 -4.30 5.54 5.08 -1.98 -2.93 114.58 115.70 1x55 h GLU 108 Ca -0.45 -0.06 -0.72 0.00 -1.00 0.00 0.00 59.36 57.14 1x55 h GLU 108 Cb 1.28 -0.21 -0.31 0.00 0.50 0.00 0.00 28.75 30.00 1x55 h GLU 108 CO 0.45 0.63 -0.43 1.21 -1.00 0.00 0.00 179.01 179.87 1x55 s ASN 109 N -5.72 5.56 0.41 1.42 3.04 -1.26 -4.99 114.94 113.40 1x55 s ASN 109 Ca -0.12 -2.03 0.24 0.00 0.04 0.00 0.00 52.86 50.99 1x55 s ASN 109 Cb 0.22 -1.95 1.26 0.00 -1.54 0.00 0.00 41.25 39.24 1x55 s ASN 109 CO 0.81 -0.63 1.69 -0.65 -3.04 0.00 0.00 177.10 175.29 1x55 h PRO 110 N 8.22 0.23 0.00 0.43 0.11 -1.88 -0.45 132.00 138.66 1x55 h PRO 110 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1x55 h PRO 110 Cb 1.06 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1x55 h PRO 110 CO 0.80 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.89 1x55 n GLU 111 N -4.69 0.61 0.00 1.05 0.28 -1.26 -0.67 120.64 115.96 1x55 n GLU 111 Ca 0.31 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.44 1x55 n GLU 111 Cb 1.15 -1.18 0.27 0.00 1.43 0.00 0.00 31.44 33.11 1x55 n GLU 111 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1x55 n GLN 112 N -0.68 1.06 -3.80 3.44 6.02 -0.18 -4.90 117.38 118.34 1x55 n GLN 112 Ca 0.05 -0.72 -0.27 0.00 -0.01 0.00 0.00 57.00 56.05 1x55 n GLN 112 Cb 0.02 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 1x55 n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x55 s ALA 113 N -2.44 3.89 0.24 -1.58 0.00 0.16 -5.08 121.76 116.95 1x55 s ALA 113 Ca 0.24 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 1x55 s ALA 113 Cb 0.19 -1.91 -0.13 0.00 0.00 0.00 0.00 23.12 21.27 1x55 s ALA 113 CO 0.51 0.49 1.48 0.45 0.00 0.00 0.00 175.76 178.70 1x55 n SER 114 N -0.57 3.10 -0.00 0.00 2.88 -1.26 -4.88 113.62 112.89 1x55 n SER 114 Ca -0.06 1.13 0.22 0.00 -1.33 0.00 0.00 58.87 58.84 1x55 n SER 114 Cb 0.54 -1.47 0.73 0.00 -0.75 0.00 0.00 64.21 63.25 1x55 n SER 114 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1x55 h PRO 115 N 4.64 0.00 -0.18 -1.46 0.13 -1.96 -0.46 132.00 132.71 1x55 h PRO 115 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1x55 h PRO 115 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1x55 h PRO 115 CO 0.79 0.00 -0.44 0.93 -0.23 0.00 0.00 178.00 179.05 1x55 h GLU 116 N 0.00 0.44 -0.19 0.86 4.39 -1.99 -1.18 114.58 116.91 1x55 h GLU 116 Ca 0.27 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1x55 h GLU 116 Cb 1.23 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1x55 h GLU 116 CO -0.00 0.79 0.04 1.25 -1.16 0.00 0.00 179.01 179.93 1x55 h LEU 117 N 0.36 0.30 -0.78 1.33 6.46 -1.46 0.47 115.31 121.98 1x55 h LEU 117 Ca 0.03 -0.24 0.05 0.00 -0.12 0.00 0.00 57.88 57.60 1x55 h LEU 117 Cb 0.92 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.71 1x55 h LEU 117 CO 0.08 0.46 0.48 -0.07 -0.62 0.00 0.00 178.44 178.77 1x55 h LEU 118 N 0.12 0.76 -0.54 2.25 3.38 -1.25 -0.22 115.31 119.81 1x55 h LEU 118 Ca 0.06 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1x55 h LEU 118 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1x55 h LEU 118 CO 0.00 0.49 -0.33 -0.07 0.09 0.00 0.00 178.44 178.62 1x55 h LEU 119 N 0.89 0.87 -1.25 1.67 3.38 -1.15 0.16 115.31 119.87 1x55 h LEU 119 Ca 0.34 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1x55 h LEU 119 Cb 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1x55 h LEU 119 CO -0.16 1.12 0.53 0.44 0.09 0.00 0.00 178.44 180.46 1x55 h ASP 120 N 0.69 0.83 -0.77 -0.43 3.45 -0.27 -2.25 116.42 117.68 1x55 h ASP 120 Ca 0.07 -0.01 -0.50 0.00 0.43 0.00 0.00 57.03 57.03 1x55 h ASP 120 Cb 0.89 -0.19 -0.28 0.00 -0.56 0.00 0.00 39.33 39.18 1x55 h ASP 120 CO 0.08 0.57 0.15 -1.22 -1.57 0.00 0.00 179.24 177.24 1x55 n TYR 121 N -4.46 2.53 -0.28 4.55 4.01 -0.15 -4.58 117.16 118.79 1x55 n TYR 121 Ca 0.11 -2.31 0.13 0.00 -0.16 0.00 0.00 57.90 55.67 1x55 n TYR 121 Cb 0.13 -0.85 0.39 0.00 -0.31 0.00 0.00 39.34 38.70 1x55 n TYR 121 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1x55 h ARG 122 N 1.66 0.64 0.00 -0.72 9.65 -0.33 0.32 114.38 125.61 1x55 h ARG 122 Ca 0.45 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.29 1x55 h ARG 122 Cb 1.49 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.92 1x55 h ARG 122 CO 1.00 0.43 -0.00 1.12 2.80 0.00 0.00 179.97 185.32 1x55 h HIS 123 N 0.66 0.00 0.03 2.20 2.07 -1.86 -2.08 115.15 116.18 1x55 h HIS 123 Ca 0.47 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.62 1x55 h HIS 123 Cb 0.80 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.73 1x55 h HIS 123 CO -0.00 0.00 -2.26 1.28 -3.07 0.00 0.00 177.93 173.88 1x55 n LEU 124 N -3.81 2.01 -0.29 6.12 4.77 0.90 -4.33 117.00 122.35 1x55 n LEU 124 Ca -0.03 0.04 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 1x55 n LEU 124 Cb 0.08 -0.53 0.27 0.00 -2.33 0.00 0.00 43.42 40.91 1x55 n LEU 124 CO 0.27 0.76 1.24 -0.74 -1.33 0.00 0.00 177.39 177.59 1x55 h HIS 125 N 0.02 1.00 0.00 -1.77 2.76 -0.54 -2.77 115.15 113.86 1x55 h HIS 125 Ca -0.50 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1x55 h HIS 125 Cb 2.02 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 30.65 1x55 h HIS 125 CO 0.03 0.50 -0.00 -0.84 -1.30 0.00 0.00 177.93 176.32 1x55 h ILE 126 N 0.96 0.01 0.00 6.26 3.07 -1.58 -2.04 117.51 124.19 1x55 h ILE 126 Ca 0.40 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.54 1x55 h ILE 126 Cb 0.30 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 1x55 h ILE 126 CO -0.16 0.00 -0.06 -2.11 -1.05 0.00 0.00 178.15 174.77 1x55 n ARG 127 N -3.09 0.07 -2.19 0.16 1.85 -1.04 -3.30 116.66 109.12 1x55 n ARG 127 Ca -0.01 0.05 -0.33 0.00 -1.00 0.00 0.00 57.85 56.57 1x55 n ARG 127 Cb 0.19 -1.58 -0.01 0.00 -1.05 0.00 0.00 32.46 30.02 1x55 n ARG 127 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x55 s THR 128 N -3.03 3.98 0.12 8.89 -4.23 -0.77 -4.78 115.64 115.83 1x55 s THR 128 Ca 0.13 0.98 -0.21 0.00 -1.18 0.00 0.00 61.69 61.41 1x55 s THR 128 Cb 0.17 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.49 1x55 s THR 128 CO 0.57 -0.52 1.71 -0.65 -0.54 0.00 0.00 174.62 175.19 1x55 h PRO 129 N 0.70 -0.01 -0.53 3.99 0.11 -1.89 0.82 132.00 135.18 1x55 h PRO 129 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1x55 h PRO 129 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1x55 h PRO 129 CO 0.59 -0.01 0.21 0.87 -0.21 0.00 0.00 178.00 179.44 1x55 h LYS 130 N -0.01 0.80 -0.27 1.05 1.57 -1.94 0.15 116.57 117.92 1x55 h LYS 130 Ca 0.08 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1x55 h LYS 130 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1x55 h LYS 130 CO -0.17 0.71 0.05 0.00 -0.57 0.00 0.00 179.45 179.47 1x55 h ALA 131 N 1.05 0.35 -0.76 3.86 0.00 -1.76 -1.99 119.26 120.01 1x55 h ALA 131 Ca 0.18 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1x55 h ALA 131 Cb 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1x55 h ALA 131 CO -0.01 0.03 0.50 1.03 0.00 0.00 0.00 179.25 180.80 1x55 h SER 132 N 0.25 0.80 -0.80 0.00 0.87 -0.68 -2.52 113.55 111.47 1x55 h SER 132 Ca 0.08 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1x55 h SER 132 Cb 0.32 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1x55 h SER 132 CO 0.00 0.55 0.51 0.00 -0.53 0.00 0.00 176.83 177.37 1x55 h ALA 133 N 1.56 1.04 -0.59 6.23 0.00 -0.19 -1.60 119.26 125.71 1x55 h ALA 133 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1x55 h ALA 133 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1x55 h ALA 133 CO -0.09 0.35 0.36 0.82 0.00 0.00 0.00 179.25 180.69 1x55 h ILE 134 N 1.01 1.17 -0.33 0.00 2.04 -0.95 -1.02 117.51 119.43 1x55 h ILE 134 Ca 0.31 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 1x55 h ILE 134 Cb -0.02 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1x55 h ILE 134 CO -0.10 0.18 -0.02 0.24 0.00 0.00 0.00 178.15 178.44 1x55 h MET 135 N 0.80 0.51 -0.36 2.37 2.86 -1.19 -0.43 114.93 119.50 1x55 h MET 135 Ca 0.21 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1x55 h MET 135 Cb -0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1x55 h MET 135 CO -0.04 0.56 -0.13 0.87 1.06 0.00 0.00 176.91 179.23 1x55 h LYS 136 N 0.49 0.72 -0.63 1.72 1.57 -0.92 -1.13 116.57 118.39 1x55 h LYS 136 Ca 0.10 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1x55 h LYS 136 Cb 0.36 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1x55 h LYS 136 CO 0.01 0.89 0.42 0.28 -0.57 0.00 0.00 179.45 180.48 1x55 h VAL 137 N 0.50 1.16 -0.05 0.50 2.07 -1.01 -2.10 116.25 117.33 1x55 h VAL 137 Ca 0.08 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1x55 h VAL 137 Cb 0.65 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1x55 h VAL 137 CO 0.04 0.16 0.03 0.50 0.02 0.00 0.00 177.57 178.32 1x55 h LYS 138 N 0.85 0.06 -0.10 1.57 3.64 -0.89 -0.36 116.57 121.35 1x55 h LYS 138 Ca 0.23 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1x55 h LYS 138 Cb -0.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1x55 h LYS 138 CO -0.05 0.07 -0.13 1.05 -2.27 0.00 0.00 179.45 178.11 1x55 h GLU 139 N 0.04 0.16 -0.03 1.90 4.11 -1.15 -2.09 114.58 117.52 1x55 h GLU 139 Ca 0.02 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.25 1x55 h GLU 139 Cb 0.02 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1x55 h GLU 139 CO -0.00 0.30 -0.62 1.15 0.07 0.00 0.00 179.01 179.91 1x55 h THR 140 N 0.15 1.39 -0.79 -1.06 2.02 -0.87 -0.24 112.91 113.52 1x55 h THR 140 Ca 0.03 -2.02 0.06 0.00 0.77 0.00 0.00 66.41 65.25 1x55 h THR 140 Cb 0.34 2.45 -0.06 0.00 -1.74 0.00 0.00 68.15 69.14 1x55 h THR 140 CO 0.02 0.60 0.48 -0.07 0.37 0.00 0.00 175.52 176.91 1x55 h LEU 141 N 0.02 0.73 -0.33 2.58 3.38 -0.86 0.15 115.31 120.98 1x55 h LEU 141 Ca -0.07 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1x55 h LEU 141 Cb 1.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1x55 h LEU 141 CO 0.12 0.47 -0.32 0.40 0.09 0.00 0.00 178.44 179.20 1x55 h ILE 142 N 0.87 1.29 -0.67 1.22 1.08 -1.31 -0.77 117.51 119.20 1x55 h ILE 142 Ca 0.35 -1.49 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1x55 h ILE 142 Cb 0.18 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1x55 h ILE 142 CO -0.18 0.49 0.44 -0.03 -0.69 0.00 0.00 178.15 178.18 1x55 h MET 143 N 0.58 0.89 -0.67 2.37 4.05 -0.78 -1.39 114.93 119.98 1x55 h MET 143 Ca 0.05 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1x55 h MET 143 Cb 0.90 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 1x55 h MET 143 CO 0.08 0.60 0.41 0.00 0.23 0.00 0.00 176.91 178.23 1x55 h ALA 144 N 1.24 0.87 -0.58 0.39 0.00 -0.75 -1.12 119.26 119.31 1x55 h ALA 144 Ca 0.25 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1x55 h ALA 144 Cb -0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 1x55 h ALA 144 CO -0.05 0.17 0.32 0.00 0.00 0.00 0.00 179.25 179.69 1x55 h ALA 145 N 1.29 0.76 -0.33 0.00 0.00 -0.33 -1.84 119.26 118.81 1x55 h ALA 145 Ca 0.27 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1x55 h ALA 145 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1x55 h ALA 145 CO -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 179.25 178.95 1x55 h ARG 146 N 0.61 0.61 -0.35 0.00 3.08 -0.71 0.84 114.38 118.46 1x55 h ARG 146 Ca 0.25 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1x55 h ARG 146 Cb 0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1x55 h ARG 146 CO -0.15 0.77 0.23 0.93 -1.07 0.00 0.00 179.97 180.67 1x55 h GLU 147 N 0.55 0.46 -0.25 0.04 5.08 -0.81 -1.08 114.58 118.56 1x55 h GLU 147 Ca 0.09 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1x55 h GLU 147 Cb 0.63 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1x55 h GLU 147 CO 0.04 0.31 -0.04 2.35 -1.00 0.00 0.00 179.01 180.68 1x55 h TRP 148 N 0.47 0.53 -0.67 4.33 7.01 -0.84 -1.75 115.95 125.03 1x55 h TRP 148 Ca 0.13 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 1x55 h TRP 148 Cb -0.04 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1x55 h TRP 148 CO -0.05 0.67 0.25 -0.07 -2.79 0.00 0.00 178.44 176.45 1x55 h LEU 149 N 0.23 0.93 -0.01 0.65 3.38 -0.76 -0.10 115.31 119.63 1x55 h LEU 149 Ca 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1x55 h LEU 149 Cb 0.49 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1x55 h LEU 149 CO 0.02 0.87 0.00 0.25 0.09 0.00 0.00 178.44 179.67 1x55 h LEU 150 N 0.95 0.02 -1.14 1.67 5.85 -1.15 -0.79 115.31 120.72 1x55 h LEU 150 Ca 0.22 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1x55 h LEU 150 Cb 0.24 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1x55 h LEU 150 CO -0.01 0.21 0.33 0.50 -0.34 0.00 0.00 178.44 179.13 1x55 h LYS 151 N -0.18 0.93 -0.03 1.25 3.64 -1.08 -1.54 116.57 119.56 1x55 h LYS 151 Ca 0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1x55 h LYS 151 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1x55 h LYS 151 CO -0.00 0.71 0.00 -3.47 -2.27 0.00 0.00 179.45 174.42 1x55 n ASP 152 N -4.35 0.74 0.00 4.20 2.03 -0.07 -4.94 116.55 114.16 1x55 n ASP 152 Ca 0.06 -1.34 0.00 0.00 0.52 0.00 0.00 54.79 54.03 1x55 n ASP 152 Cb 0.12 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1x55 n ASP 152 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x55 n GLY 153 N 1.04 0.59 3.88 0.27 0.00 -0.58 -5.06 105.19 105.33 1x55 n GLY 153 Ca 0.19 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1x55 n GLY 153 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x55 s TRP 154 N -2.00 3.44 -0.15 1.61 0.52 -0.35 -4.80 118.94 117.21 1x55 s TRP 154 Ca 0.00 0.78 -0.06 0.00 0.02 0.00 0.00 56.10 56.84 1x55 s TRP 154 Cb 0.00 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1x55 s TRP 154 CO 0.00 0.27 0.06 -1.01 0.02 0.00 0.00 176.95 176.29 1x55 s HIS 155 N -1.86 3.29 0.00 -1.98 3.76 0.54 -4.61 115.29 114.43 1x55 s HIS 155 Ca 0.46 0.17 -0.29 0.00 -0.15 0.00 0.00 55.06 55.25 1x55 s HIS 155 Cb -0.11 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 1x55 s HIS 155 CO 0.24 0.32 0.95 -2.00 -0.85 0.00 0.00 174.74 173.39 1x55 s GLU 156 N -0.15 4.56 0.31 1.40 2.12 -1.26 -0.86 118.70 124.82 1x55 s GLU 156 Ca 0.07 1.36 0.05 0.00 0.36 0.00 0.00 54.97 56.82 1x55 s GLU 156 Cb -0.12 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 30.76 1x55 s GLU 156 CO 0.01 -0.01 0.01 0.14 -0.54 0.00 0.00 175.26 174.87 1x55 s VAL 157 N 0.88 1.45 -0.55 3.70 -7.23 -0.01 -4.92 120.40 113.72 1x55 s VAL 157 Ca 0.50 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1x55 s VAL 157 Cb -0.21 -2.68 0.16 0.00 0.56 0.00 0.00 36.38 34.21 1x55 s VAL 157 CO 0.27 -0.12 0.37 -0.36 -0.31 0.00 0.00 175.10 174.95 1x55 s PHE 158 N -3.12 2.47 0.78 2.82 0.40 -1.26 -4.50 117.98 115.57 1x55 s PHE 158 Ca 0.33 -2.82 -0.12 0.00 -0.60 0.00 0.00 56.93 53.73 1x55 s PHE 158 Cb 0.07 -2.02 0.06 0.00 0.51 0.00 0.00 43.02 41.64 1x55 s PHE 158 CO 0.14 -0.69 1.11 -2.14 0.70 0.00 0.00 175.22 174.33 1x55 s PRO 159 N -0.51 2.26 0.50 0.24 0.02 -1.26 -5.02 135.00 131.22 1x55 s PRO 159 Ca 0.25 0.51 -0.20 0.00 0.02 0.00 0.00 61.00 61.58 1x55 s PRO 159 Cb -0.09 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 1x55 s PRO 159 CO -0.12 -1.47 1.06 -1.25 -0.33 0.00 0.00 177.00 174.89 1x55 s PRO 160 N -5.26 3.71 -0.26 5.54 0.04 -1.26 -4.99 135.00 132.51 1x55 s PRO 160 Ca 0.60 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x55 s PRO 160 Cb -0.13 -2.09 -0.17 0.00 0.04 0.00 0.00 34.50 32.16 1x55 s PRO 160 CO 0.53 -0.52 -0.23 -0.89 0.04 0.00 0.00 177.00 175.93 1x55 n ILE 161 N -1.02 1.50 -2.62 0.56 2.08 -1.26 -4.82 119.36 113.78 1x55 n ILE 161 Ca 0.10 -0.55 -0.43 0.00 0.56 0.00 0.00 62.75 62.43 1x55 n ILE 161 Cb 0.52 -1.47 -0.02 0.00 -0.75 0.00 0.00 39.64 37.92 1x55 n ILE 161 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1x55 s LEU 162 N -6.63 4.08 0.23 1.39 1.43 -1.26 -0.13 118.68 117.78 1x55 s LEU 162 Ca -0.35 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1x55 s LEU 162 Cb 0.10 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1x55 s LEU 162 CO 0.59 -0.73 0.13 0.68 0.23 0.00 0.00 176.35 177.26 1x55 s VAL 163 N 3.34 0.14 -0.15 -1.59 -7.23 -0.35 -4.95 120.40 109.60 1x55 s VAL 163 Ca 0.46 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1x55 s VAL 163 Cb -0.15 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1x55 s VAL 163 CO 0.09 0.00 0.71 0.35 -0.31 0.00 0.00 175.10 175.94 1x55 n THR 164 N -0.36 0.34 -5.04 5.32 -2.24 -1.26 -0.54 114.28 110.50 1x55 n THR 164 Ca 0.02 -0.67 -0.31 0.00 -2.27 0.00 0.00 64.05 60.82 1x55 n THR 164 Cb 0.66 0.85 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 1x55 n THR 164 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x55 s GLY 165 N -0.41 1.38 -0.04 3.38 0.00 -1.26 -4.97 107.32 105.41 1x55 s GLY 165 Ca 0.02 -1.17 -0.23 0.00 0.00 0.00 0.00 44.72 43.34 1x55 s GLY 165 CO 0.02 -1.02 0.68 0.00 0.00 0.00 0.00 173.10 172.78 1x55 s ALA 166 N -0.73 3.38 -0.20 3.20 0.00 -1.26 -4.86 121.76 121.28 1x55 s ALA 166 Ca 0.11 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1x55 s ALA 166 Cb -0.10 -2.91 -0.21 0.00 0.00 0.00 0.00 23.12 19.90 1x55 s ALA 166 CO 0.01 -0.01 0.04 0.28 0.00 0.00 0.00 175.76 176.07 1x55 n VAL 167 N 3.39 1.54 -2.02 0.00 0.31 -1.26 -4.66 118.33 115.62 1x55 n VAL 167 Ca -0.03 -0.67 -0.06 0.00 -0.01 0.00 0.00 64.34 63.57 1x55 n VAL 167 Cb 0.51 -1.26 0.10 0.00 -0.91 0.00 0.00 33.84 32.27 1x55 n VAL 167 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x55 n GLU 168 N -3.19 2.15 0.00 5.55 -0.58 -1.26 -4.83 120.64 118.48 1x55 n GLU 168 Ca -0.38 -3.48 0.00 0.00 -0.42 0.00 0.00 57.16 52.88 1x55 n GLU 168 Cb 1.04 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1x55 n GLU 168 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x55 n GLY 169 N -0.70 1.65 0.19 0.62 0.00 -1.26 -4.78 105.19 100.91 1x55 n GLY 169 Ca 0.25 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.59 1x55 n GLY 169 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x55 h GLY 170 N 0.00 0.00 1.97 -0.02 0.00 -1.98 -3.32 103.07 99.72 1x55 h GLY 170 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1x55 h GLY 170 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 1x55 h ALA 171 N 1.65 1.93 -0.48 3.60 0.00 -1.96 -2.77 119.26 121.23 1x55 h ALA 171 Ca -0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1x55 h ALA 171 Cb 0.92 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 1x55 h ALA 171 CO 0.05 0.06 0.10 0.25 0.00 0.00 0.00 179.25 179.70 1x55 n THR 172 N -4.50 2.64 -3.25 0.00 -2.24 -1.25 -4.78 114.28 100.90 1x55 n THR 172 Ca -0.03 -2.24 -0.38 0.00 -2.27 0.00 0.00 64.05 59.13 1x55 n THR 172 Cb 0.11 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 1x55 n THR 172 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1x55 s LEU 173 N -3.11 4.35 -0.03 3.22 1.43 -1.05 -0.49 118.68 123.01 1x55 s LEU 173 Ca 0.47 1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 54.41 1x55 s LEU 173 Cb 0.41 -2.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 1x55 s LEU 173 CO 0.06 0.05 0.49 -0.36 0.23 0.00 0.00 176.35 176.82 1x55 s PHE 174 N 0.19 3.67 0.02 0.29 0.08 -1.26 -4.73 117.98 116.24 1x55 s PHE 174 Ca 0.29 1.04 0.08 0.00 0.12 0.00 0.00 56.93 58.46 1x55 s PHE 174 Cb -0.17 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1x55 s PHE 174 CO 0.14 0.43 -0.22 0.21 -0.10 0.00 0.00 175.22 175.68 1x55 s LYS 175 N -0.39 2.03 0.03 0.44 2.20 -1.26 -1.84 119.74 120.95 1x55 s LYS 175 Ca 0.26 -0.98 -0.05 0.00 -0.36 0.00 0.00 55.97 54.84 1x55 s LYS 175 Cb -0.17 -2.10 -0.01 0.00 -1.51 0.00 0.00 37.83 34.04 1x55 s LYS 175 CO 0.14 0.54 0.08 -0.48 -0.36 0.00 0.00 175.35 175.28 1x55 s LEU 176 N -1.10 1.84 0.21 5.43 2.34 0.10 -4.99 118.68 122.51 1x55 s LEU 176 Ca 0.12 -0.50 -0.30 0.00 0.06 0.00 0.00 54.13 53.52 1x55 s LEU 176 Cb -0.10 0.54 -0.09 0.00 -0.56 0.00 0.00 46.19 45.98 1x55 s LEU 176 CO 0.02 -0.47 1.26 -0.75 -1.06 0.00 0.00 176.35 175.35 1x55 s LYS 177 N -2.33 4.43 -0.42 1.48 2.20 -1.26 -0.80 119.74 123.05 1x55 s LYS 177 Ca -0.07 1.99 0.02 0.00 -0.36 0.00 0.00 55.97 57.54 1x55 s LYS 177 Cb -0.03 -3.20 0.15 0.00 -1.51 0.00 0.00 37.83 33.23 1x55 s LYS 177 CO -0.03 -0.17 0.26 -0.47 -0.36 0.00 0.00 175.35 174.58 1x55 s TYR 178 N -0.09 1.45 0.00 4.03 5.04 0.31 -4.83 117.35 123.25 1x55 s TYR 178 Ca 0.54 -2.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.01 1x55 s TYR 178 Cb -0.35 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.56 1x55 s TYR 178 CO 0.39 -0.79 0.00 1.19 -1.34 0.00 0.00 175.55 174.99 1x55 n PHE 179 N 3.50 0.00 0.91 4.97 3.72 -1.26 -0.59 117.46 128.72 1x55 n PHE 179 Ca 0.14 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.61 1x55 n PHE 179 Cb 0.38 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.10 1x55 n PHE 179 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1x55 n ASP 180 N 8.28 1.86 -3.01 4.37 5.75 -1.26 -4.92 116.55 127.62 1x55 n ASP 180 Ca 0.00 -1.97 -0.16 0.00 -0.01 0.00 0.00 54.79 52.64 1x55 n ASP 180 Cb 0.00 -0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 1x55 n ASP 180 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1x55 n LYS 181 N 0.51 0.68 -4.45 0.11 5.02 0.25 -5.16 118.16 115.11 1x55 n LYS 181 Ca 0.12 -2.25 -0.25 0.00 -2.02 0.00 0.00 58.31 53.91 1x55 n LYS 181 Cb 0.30 1.25 -0.13 0.00 -0.02 0.00 0.00 35.03 36.43 1x55 n LYS 181 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1x55 s TYR 182 N -2.56 1.86 0.22 2.13 2.02 -1.26 -0.53 117.35 119.23 1x55 s TYR 182 Ca 0.14 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1x55 s TYR 182 Cb 0.01 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.46 1x55 s TYR 182 CO 0.10 0.17 -0.03 0.00 -1.57 0.00 0.00 175.55 174.22 1x55 s ALA 183 N -1.00 1.84 0.15 3.71 0.00 0.02 -4.85 121.76 121.63 1x55 s ALA 183 Ca 0.08 -1.74 0.09 0.00 0.00 0.00 0.00 51.96 50.38 1x55 s ALA 183 Cb -0.10 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1x55 s ALA 183 CO 0.03 -0.19 -0.12 0.71 0.00 0.00 0.00 175.76 176.19 1x55 s TYR 184 N -3.34 2.62 -0.07 0.00 4.12 0.30 -0.72 117.35 120.27 1x55 s TYR 184 Ca 0.27 -0.22 -0.27 0.00 0.02 0.00 0.00 57.07 56.86 1x55 s TYR 184 Cb 0.05 -1.32 -0.02 0.00 -1.52 0.00 0.00 41.96 39.14 1x55 s TYR 184 CO 0.08 0.47 0.89 -0.51 0.02 0.00 0.00 175.55 176.50 1x55 s LEU 185 N -2.58 4.29 -0.04 -1.29 1.43 -0.76 -1.21 118.68 118.52 1x55 s LEU 185 Ca 0.23 1.42 -0.37 0.00 -1.03 0.00 0.00 54.13 54.38 1x55 s LEU 185 Cb -0.10 -3.38 -0.15 0.00 0.03 0.00 0.00 46.19 42.59 1x55 s LEU 185 CO 0.14 -0.30 1.59 -0.24 0.23 0.00 0.00 176.35 177.77 1x55 n SER 186 N 4.40 2.44 0.22 2.29 2.88 0.82 -4.57 113.62 122.09 1x55 n SER 186 Ca 0.05 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.79 1x55 n SER 186 Cb 0.50 -1.25 0.30 0.00 -0.75 0.00 0.00 64.21 63.01 1x55 n SER 186 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1x55 h GLN 187 N 6.37 0.00 -1.00 -1.46 4.20 -1.90 -0.37 115.11 120.96 1x55 h GLN 187 Ca -0.47 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.46 1x55 h GLN 187 Cb 1.30 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 28.76 1x55 h GLN 187 CO 0.88 0.00 0.95 0.45 -0.67 0.00 0.00 178.83 180.44 1x55 s SER 188 N -5.88 -0.00 0.00 1.46 0.15 -1.26 -4.41 113.70 103.76 1x55 s SER 188 Ca 0.06 0.00 0.20 0.00 0.70 0.00 0.00 55.95 56.91 1x55 s SER 188 Cb 0.07 0.00 0.87 0.00 -1.71 0.00 0.00 66.02 65.25 1x55 s SER 188 CO 0.63 -0.00 1.60 0.00 1.20 0.00 0.00 173.24 176.67 1x55 n ALA 189 N 1.33 2.55 -0.16 5.45 0.00 -1.26 -4.57 120.51 123.84 1x55 n ALA 189 Ca -0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 1x55 n ALA 189 Cb 0.57 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.91 1x55 n ALA 189 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1x55 h GLN 190 N 1.41 0.06 -0.60 0.00 4.15 -1.97 -1.48 115.11 116.68 1x55 h GLN 190 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1x55 h GLN 190 Cb 0.31 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1x55 h GLN 190 CO 0.00 0.04 0.36 -0.07 -1.93 0.00 0.00 178.83 177.23 1x55 h LEU 191 N 0.06 0.70 -0.44 -2.39 3.38 -2.00 -0.31 115.31 114.30 1x55 h LEU 191 Ca 0.25 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 1x55 h LEU 191 Cb 0.38 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1x55 h LEU 191 CO -0.47 0.54 -0.69 1.88 0.09 0.00 0.00 178.44 179.79 1x55 h TYR 192 N 0.82 0.56 -0.71 1.13 0.05 -1.65 -2.84 116.97 114.32 1x55 h TYR 192 Ca 0.22 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1x55 h TYR 192 Cb -0.04 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1x55 h TYR 192 CO 0.00 0.98 0.30 -0.07 -1.05 0.00 0.00 178.16 178.32 1x55 h LEU 193 N 0.30 0.96 -1.40 3.88 3.38 -0.44 -1.54 115.31 120.44 1x55 h LEU 193 Ca -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1x55 h LEU 193 Cb 1.25 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1x55 h LEU 193 CO 0.12 0.84 0.36 -0.33 0.09 0.00 0.00 178.44 179.52 1x55 h GLU 194 N 1.03 0.76 -0.35 1.13 5.08 -0.96 -0.68 114.58 120.59 1x55 h GLU 194 Ca 0.24 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1x55 h GLU 194 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1x55 h GLU 194 CO -0.02 0.52 -0.33 0.00 -1.00 0.00 0.00 179.01 178.18 1x55 h ALA 195 N 1.62 0.76 0.00 3.43 0.00 -1.16 -3.24 119.26 120.66 1x55 h ALA 195 Ca 0.21 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1x55 h ALA 195 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1x55 h ALA 195 CO -0.04 0.65 -0.46 0.00 0.00 0.00 0.00 179.25 179.41 1x55 h ALA 196 N 0.98 0.98 0.00 0.00 0.00 -0.30 -3.01 119.26 117.91 1x55 h ALA 196 Ca 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1x55 h ALA 196 Cb 0.87 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1x55 h ALA 196 CO 0.08 0.57 -0.04 -0.84 0.00 0.00 0.00 179.25 179.01 1x55 h ILE 197 N 0.00 0.60 0.00 0.00 3.07 -1.19 -1.23 117.51 118.75 1x55 h ILE 197 Ca -0.00 -0.19 -0.03 0.00 1.55 0.00 0.00 64.86 66.19 1x55 h ILE 197 Cb 0.97 1.12 -0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1x55 h ILE 197 CO 0.06 0.04 -0.16 -0.26 -1.05 0.00 0.00 178.15 176.78 1x55 h PHE 198 N 0.00 0.00 0.00 0.16 -1.00 -1.70 0.22 116.94 114.63 1x55 h PHE 198 Ca -0.00 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.40 1x55 h PHE 198 Cb 0.11 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.60 1x55 h PHE 198 CO 0.00 0.16 -2.40 0.41 -1.61 0.00 0.00 178.31 174.86 1x55 n GLY 199 N -0.36 -0.70 0.09 -1.45 0.00 -0.90 -4.75 105.19 97.13 1x55 n GLY 199 Ca -0.01 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.78 1x55 n GLY 199 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x55 n LEU 200 N -3.01 0.77 0.00 0.99 4.77 -0.52 -5.03 117.00 114.98 1x55 n LEU 200 Ca -0.38 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1x55 n LEU 200 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1x55 n LEU 200 CO 0.35 0.17 0.00 -0.62 -1.33 0.00 0.00 177.39 175.96 1x55 n GLU 201 N -0.45 0.00 -4.03 3.23 1.02 0.77 -4.63 120.64 116.55 1x55 n GLU 201 Ca 0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 1x55 n GLU 201 Cb 0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.36 1x55 n GLU 201 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x55 s LYS 202 N 0.00 2.11 0.16 3.49 1.02 -1.26 -0.82 119.74 124.44 1x55 s LYS 202 Ca 0.00 -1.14 0.06 0.00 0.02 0.00 0.00 55.97 54.90 1x55 s LYS 202 Cb 0.00 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1x55 s LYS 202 CO 0.00 -0.53 -0.13 0.14 -0.92 0.00 0.00 175.35 173.91 1x55 s VAL 203 N 1.23 1.41 0.12 3.17 -7.23 -0.45 -0.34 120.40 118.31 1x55 s VAL 203 Ca -0.06 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 57.93 1x55 s VAL 203 Cb -0.19 -1.84 0.03 0.00 0.56 0.00 0.00 36.38 34.94 1x55 s VAL 203 CO -0.06 -0.61 0.37 -1.66 -0.31 0.00 0.00 175.10 172.83 1x55 s TRP 204 N -2.91 -0.16 -0.00 2.82 1.48 -0.04 -1.14 118.94 118.98 1x55 s TRP 204 Ca 0.17 -0.16 -0.16 0.00 -1.06 0.00 0.00 56.10 54.88 1x55 s TRP 204 Cb -0.00 0.22 0.03 0.00 -1.16 0.00 0.00 33.47 32.55 1x55 s TRP 204 CO 0.03 -0.68 0.35 -1.54 -4.06 0.00 0.00 176.95 171.06 1x55 s SER 205 N -2.78 -0.23 -0.22 -2.66 1.04 -0.32 -0.83 113.70 107.69 1x55 s SER 205 Ca 0.03 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1x55 s SER 205 Cb 0.02 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.54 1x55 s SER 205 CO -0.12 -0.52 -0.11 -0.22 0.98 0.00 0.00 173.24 173.26 1x55 s LEU 206 N -1.52 2.65 0.06 2.42 2.96 -1.26 -0.80 118.68 123.18 1x55 s LEU 206 Ca -0.11 -1.04 0.00 0.00 -0.22 0.00 0.00 54.13 52.76 1x55 s LEU 206 Cb -0.03 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1x55 s LEU 206 CO 0.03 -0.15 -0.05 0.42 -1.32 0.00 0.00 176.35 175.28 1x55 s THR 207 N 1.29 0.37 0.09 3.68 -4.23 -0.95 -4.95 115.64 110.94 1x55 s THR 207 Ca -0.03 -1.60 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 1x55 s THR 207 Cb -0.17 -1.24 -0.06 0.00 1.34 0.00 0.00 72.50 72.37 1x55 s THR 207 CO -0.08 -0.81 1.14 -2.16 -0.54 0.00 0.00 174.62 172.18 1x55 s PRO 208 N -3.20 4.50 0.15 3.99 0.04 -1.26 -0.76 135.00 138.45 1x55 s PRO 208 Ca 0.02 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.84 1x55 s PRO 208 Cb 0.02 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1x55 s PRO 208 CO -0.06 -0.13 -0.03 -1.12 0.04 0.00 0.00 177.00 175.71 1x55 s SER 209 N 0.68 4.70 -0.10 6.66 0.01 0.48 -4.92 113.70 121.21 1x55 s SER 209 Ca 0.55 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.46 1x55 s SER 209 Cb -0.28 -0.99 0.01 0.00 0.21 0.00 0.00 66.02 64.97 1x55 s SER 209 CO 0.31 0.12 -0.16 -0.36 0.41 0.00 0.00 173.24 173.56 1x55 s PHE 210 N -1.55 1.97 -0.16 2.43 0.08 -0.15 -1.40 117.98 119.21 1x55 s PHE 210 Ca 0.26 -0.88 -0.02 0.00 0.12 0.00 0.00 56.93 56.40 1x55 s PHE 210 Cb -0.10 -1.41 0.05 0.00 -0.57 0.00 0.00 43.02 40.99 1x55 s PHE 210 CO 0.17 -0.43 0.02 1.03 -0.10 0.00 0.00 175.22 175.91 1x55 s ARG 211 N 0.83 0.65 -1.55 0.44 1.81 -0.17 -3.98 118.95 116.98 1x55 s ARG 211 Ca -0.10 -0.25 -0.12 0.00 -1.72 0.00 0.00 55.73 53.54 1x55 s ARG 211 Cb -0.16 -1.76 -0.03 0.00 -0.45 0.00 0.00 34.95 32.55 1x55 s ARG 211 CO 0.01 -0.53 2.63 0.00 -0.68 0.00 0.00 175.30 176.72 1x55 n ALA 212 N 5.08 6.66 -2.57 2.13 0.00 0.36 -4.18 120.51 127.99 1x55 n ALA 212 Ca -0.08 -3.70 -0.42 0.00 0.00 0.00 0.00 53.44 49.24 1x55 n ALA 212 Cb 0.48 -3.44 -0.07 0.00 0.00 0.00 0.00 19.45 16.42 1x55 n ALA 212 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1x55 s GLU 213 N 2.57 3.71 0.24 0.00 2.56 -1.26 -4.36 118.70 122.15 1x55 s GLU 213 Ca 0.59 0.07 0.07 0.00 0.00 0.00 0.00 54.97 55.70 1x55 s GLU 213 Cb 0.16 -3.80 0.24 0.00 2.00 0.00 0.00 34.13 32.73 1x55 s GLU 213 CO -0.07 -0.70 1.54 0.87 -0.56 0.00 0.00 175.26 176.34 1x55 h LYS 214 N 8.42 0.13 -6.42 4.30 1.57 -1.92 -3.43 116.57 119.22 1x55 h LYS 214 Ca -0.27 -0.10 -0.54 0.00 -1.87 0.00 0.00 60.65 57.88 1x55 h LYS 214 Cb 1.11 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.45 1x55 h LYS 214 CO 0.82 0.75 0.84 0.45 -0.57 0.00 0.00 179.45 181.74 1x55 s SER 215 N -6.87 6.81 -1.16 0.86 0.15 -1.26 -4.93 113.70 107.29 1x55 s SER 215 Ca -0.03 2.21 -0.07 0.00 0.70 0.00 0.00 55.95 58.77 1x55 s SER 215 Cb 0.12 -2.57 0.25 0.00 -1.71 0.00 0.00 66.02 62.11 1x55 s SER 215 CO 0.79 -0.73 1.59 0.54 1.20 0.00 0.00 173.24 176.63 1x55 n ARG 216 N 5.14 4.03 -2.64 5.44 1.74 -1.26 -4.92 116.66 124.19 1x55 n ARG 216 Ca 0.13 -4.14 -0.22 0.00 -0.77 0.00 0.00 57.85 52.85 1x55 n ARG 216 Cb 0.43 -2.69 0.07 0.00 -1.02 0.00 0.00 32.46 29.25 1x55 n ARG 216 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x55 s THR 217 N -1.27 2.38 -2.13 0.55 -4.23 -1.26 -4.99 115.64 104.69 1x55 s THR 217 Ca 0.35 -0.65 0.16 0.00 -1.18 0.00 0.00 61.69 60.36 1x55 s THR 217 Cb 0.05 -2.72 0.38 0.00 1.34 0.00 0.00 72.50 71.55 1x55 s THR 217 CO 0.05 0.00 1.43 -2.11 -0.54 0.00 0.00 174.62 173.45 1x55 n ARG 218 N -2.57 1.60 0.00 3.99 1.85 -1.26 -3.76 116.66 116.51 1x55 n ARG 218 Ca 0.12 -0.92 0.00 0.00 -1.00 0.00 0.00 57.85 56.05 1x55 n ARG 218 Cb 0.60 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.70 1x55 n ARG 218 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1x55 n ARG 219 N 0.18 1.23 -5.00 2.89 1.85 -1.26 -1.45 116.66 115.09 1x55 n ARG 219 Ca 0.13 -1.02 -0.29 0.00 -1.00 0.00 0.00 57.85 55.68 1x55 n ARG 219 Cb 0.26 -0.96 -0.16 0.00 -1.05 0.00 0.00 32.46 30.55 1x55 n ARG 219 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1x55 s HIS 220 N -0.53 2.06 0.35 2.89 3.76 -1.25 -4.97 115.29 117.60 1x55 s HIS 220 Ca 0.00 -0.69 0.09 0.00 -0.15 0.00 0.00 55.06 54.31 1x55 s HIS 220 Cb 0.00 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.25 1x55 s HIS 220 CO 0.00 -0.26 -0.02 -0.51 -0.85 0.00 0.00 174.74 173.11 1x55 s LEU 221 N 0.15 2.90 0.02 0.89 1.43 -1.26 -4.70 118.68 118.12 1x55 s LEU 221 Ca -0.09 -1.08 0.25 0.00 -1.03 0.00 0.00 54.13 52.18 1x55 s LEU 221 Cb -0.14 -1.22 0.53 0.00 0.03 0.00 0.00 46.19 45.39 1x55 s LEU 221 CO 0.04 -0.25 1.43 0.35 0.23 0.00 0.00 176.35 178.16 1x55 n THR 222 N -0.91 0.07 -3.72 5.49 -2.24 -0.34 -4.64 114.28 107.98 1x55 n THR 222 Ca -0.04 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 1x55 n THR 222 Cb 0.63 0.12 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 1x55 n THR 222 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x55 s GLU 223 N -3.03 0.12 0.13 -0.78 2.12 -1.26 -1.00 118.70 115.00 1x55 s GLU 223 Ca 0.10 0.48 -0.09 0.00 0.36 0.00 0.00 54.97 55.82 1x55 s GLU 223 Cb 0.17 -0.16 -0.00 0.00 0.26 0.00 0.00 34.13 34.39 1x55 s GLU 223 CO 0.69 -0.20 0.25 -0.59 -0.54 0.00 0.00 175.26 174.87 1x55 s PHE 224 N 1.47 0.25 -0.17 5.30 -0.12 -0.49 -4.66 117.98 119.57 1x55 s PHE 224 Ca -0.07 -0.65 -0.13 0.00 -0.05 0.00 0.00 56.93 56.04 1x55 s PHE 224 Cb -0.11 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.19 1x55 s PHE 224 CO -0.07 -0.64 0.26 -1.58 -0.05 0.00 0.00 175.22 173.14 1x55 s TRP 225 N -3.91 3.45 -0.21 3.49 0.52 -1.26 -0.39 118.94 120.63 1x55 s TRP 225 Ca 0.11 0.55 0.01 0.00 0.02 0.00 0.00 56.10 56.78 1x55 s TRP 225 Cb 0.04 -2.31 0.05 0.00 -1.15 0.00 0.00 33.47 30.10 1x55 s TRP 225 CO -0.06 0.25 -0.07 -1.58 0.02 0.00 0.00 176.95 175.51 1x55 s HIS 226 N 0.44 2.26 -0.28 -1.98 2.46 0.06 -1.33 115.29 116.92 1x55 s HIS 226 Ca 0.15 -1.56 -0.13 0.00 0.47 0.00 0.00 55.06 53.99 1x55 s HIS 226 Cb -0.13 -1.55 -0.04 0.00 -0.13 0.00 0.00 32.58 30.73 1x55 s HIS 226 CO 0.03 -0.73 0.30 -1.17 -2.47 0.00 0.00 174.74 170.70 1x55 s LEU 227 N 1.44 4.08 -0.02 8.88 2.96 -0.29 -2.24 118.68 133.49 1x55 s LEU 227 Ca -0.03 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1x55 s LEU 227 Cb -0.17 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1x55 s LEU 227 CO -0.07 -0.15 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.05 1x55 s GLU 228 N 1.95 1.30 0.07 1.98 2.02 0.02 -0.50 118.70 125.53 1x55 s GLU 228 Ca 0.12 -0.53 0.09 0.00 0.02 0.00 0.00 54.97 54.66 1x55 s GLU 228 Cb -0.16 -1.22 -0.03 0.00 0.10 0.00 0.00 34.13 32.82 1x55 s GLU 228 CO 0.10 0.30 -0.23 -0.51 0.02 0.00 0.00 175.26 174.94 1x55 s LEU 229 N -0.25 2.21 -0.04 1.80 1.02 -0.52 -1.17 118.68 121.73 1x55 s LEU 229 Ca 0.04 -0.60 -0.03 0.00 0.02 0.00 0.00 54.13 53.55 1x55 s LEU 229 Cb -0.07 -1.09 0.01 0.00 0.02 0.00 0.00 46.19 45.06 1x55 s LEU 229 CO -0.00 0.18 0.09 -0.70 0.02 0.00 0.00 176.35 175.94 1x55 s GLU 230 N -1.45 0.10 -0.03 1.70 2.56 -0.30 -1.36 118.70 119.92 1x55 s GLU 230 Ca 0.10 0.15 -0.01 0.00 0.00 0.00 0.00 54.97 55.21 1x55 s GLU 230 Cb -0.10 0.02 0.03 0.00 2.00 0.00 0.00 34.13 36.09 1x55 s GLU 230 CO 0.03 -0.03 0.05 0.00 -0.56 0.00 0.00 175.26 174.74 1x55 s ALA 231 N 0.19 0.13 0.61 6.30 0.00 -0.15 -1.34 121.76 127.50 1x55 s ALA 231 Ca -0.01 0.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1x55 s ALA 231 Cb -0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1x55 s ALA 231 CO -0.01 -0.28 1.05 0.00 0.00 0.00 0.00 175.76 176.52 1x55 n ALA 232 N 4.68 0.43 0.00 0.00 0.00 -0.00 -2.65 120.51 122.97 1x55 n ALA 232 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1x55 n ALA 232 Cb 0.50 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1x55 n ALA 232 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1x55 n TRP 233 N -1.75 0.00 -2.93 0.00 7.02 0.74 -4.93 117.44 115.59 1x55 n TRP 233 Ca 0.14 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.22 1x55 n TRP 233 Cb 0.47 -0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.31 1x55 n TRP 233 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1x55 s MET 234 N 0.00 4.56 0.21 -0.99 -1.94 -1.23 -4.82 119.30 115.08 1x55 s MET 234 Ca 0.00 1.17 0.01 0.00 -1.71 0.00 0.00 55.69 55.17 1x55 s MET 234 Cb 0.00 -3.34 0.04 0.00 2.01 0.00 0.00 34.83 33.54 1x55 s MET 234 CO 0.00 0.35 0.29 -0.40 -0.01 0.00 0.00 175.02 175.24 1x55 n ASP 235 N 2.47 0.54 -0.21 3.03 5.68 -1.26 -2.85 116.55 123.94 1x55 n ASP 235 Ca -0.02 -1.42 -0.04 0.00 -0.50 0.00 0.00 54.79 52.81 1x55 n ASP 235 Cb 0.50 -0.17 0.07 0.00 -1.14 0.00 0.00 41.12 40.37 1x55 n ASP 235 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1x55 h LEU 236 N 0.00 0.57 -0.66 -2.12 5.85 -1.91 -0.80 115.31 116.24 1x55 h LEU 236 Ca -0.10 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1x55 h LEU 236 Cb 0.39 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1x55 h LEU 236 CO 0.12 0.39 0.00 -0.50 -0.34 0.00 0.00 178.44 178.11 1x55 h TRP 237 N 0.70 1.13 -0.03 1.25 4.06 -1.97 -0.51 115.95 120.57 1x55 h TRP 237 Ca 0.25 -0.19 0.01 0.00 2.06 0.00 0.00 58.89 61.02 1x55 h TRP 237 Cb 0.07 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 27.92 1x55 h TRP 237 CO -0.06 1.00 -0.02 -0.44 -3.56 0.00 0.00 178.44 175.36 1x55 h ASP 238 N 0.96 -0.05 0.29 -3.49 3.45 -1.85 -2.37 116.42 113.35 1x55 h ASP 238 Ca 0.17 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.58 1x55 h ASP 238 Cb 0.54 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 1x55 h ASP 238 CO 0.03 -0.02 -0.30 -0.29 -1.57 0.00 0.00 179.24 177.08 1x55 h ILE 239 N -0.01 1.22 -0.65 0.35 6.09 -0.60 -2.37 117.51 121.54 1x55 h ILE 239 Ca 0.02 -1.06 -0.08 0.00 -1.37 0.00 0.00 64.86 62.37 1x55 h ILE 239 Cb 0.04 1.55 -0.02 0.00 0.47 0.00 0.00 36.82 38.86 1x55 h ILE 239 CO -0.04 0.30 0.07 0.24 -3.07 0.00 0.00 178.15 175.65 1x55 h MET 240 N 0.02 1.09 -0.49 2.19 2.86 -0.90 -0.20 114.93 119.51 1x55 h MET 240 Ca 0.00 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1x55 h MET 240 Cb 0.54 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1x55 h MET 240 CO 0.04 1.02 0.31 0.87 1.06 0.00 0.00 176.91 180.21 1x55 h LYS 241 N 1.01 0.60 -0.40 1.72 1.57 -0.94 -1.68 116.57 118.46 1x55 h LYS 241 Ca 0.19 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 1x55 h LYS 241 Cb 0.48 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1x55 h LYS 241 CO 0.02 0.40 0.11 0.28 -0.57 0.00 0.00 179.45 179.68 1x55 h VAL 242 N 0.62 0.83 -0.27 0.50 2.07 -1.06 -1.51 116.25 117.44 1x55 h VAL 242 Ca 0.19 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1x55 h VAL 242 Cb -0.03 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1x55 h VAL 242 CO -0.06 0.05 0.10 -0.33 0.02 0.00 0.00 177.57 177.35 1x55 h GLU 243 N 0.25 0.23 -0.18 1.57 5.08 -0.53 -0.35 114.58 120.65 1x55 h GLU 243 Ca 0.19 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1x55 h GLU 243 Cb 0.20 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1x55 h GLU 243 CO -0.22 0.15 -0.43 1.05 -1.00 0.00 0.00 179.01 178.56 1x55 h GLU 244 N 0.23 0.43 -0.21 2.33 4.11 -1.14 -0.70 114.58 119.63 1x55 h GLU 244 Ca 0.11 -0.22 -0.05 0.00 0.07 0.00 0.00 59.36 59.27 1x55 h GLU 244 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1x55 h GLU 244 CO -0.11 0.78 -0.06 0.93 0.07 0.00 0.00 179.01 180.63 1x55 h GLU 245 N 0.35 0.42 0.26 1.06 4.39 -1.02 -1.52 114.58 118.52 1x55 h GLU 245 Ca 0.03 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1x55 h GLU 245 Cb 0.90 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1x55 h GLU 245 CO 0.08 0.67 -0.12 1.25 -1.16 0.00 0.00 179.01 179.72 1x55 h LEU 246 N 0.14 -0.29 -0.63 1.33 5.85 -0.97 -1.20 115.31 119.55 1x55 h LEU 246 Ca 0.05 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1x55 h LEU 246 Cb 0.52 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1x55 h LEU 246 CO 0.02 -0.09 0.41 0.58 -0.34 0.00 0.00 178.44 179.02 1x55 h VAL 247 N -0.48 1.17 -0.29 1.05 2.07 -1.16 -0.36 116.25 118.25 1x55 h VAL 247 Ca -0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1x55 h VAL 247 Cb 0.36 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1x55 h VAL 247 CO 0.06 0.17 0.19 0.28 0.02 0.00 0.00 177.57 178.29 1x55 h SER 248 N 0.85 0.33 -0.19 0.57 0.02 -1.25 -0.13 113.55 113.75 1x55 h SER 248 Ca 0.23 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1x55 h SER 248 Cb -0.08 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1x55 h SER 248 CO -0.05 0.24 0.11 0.22 -1.14 0.00 0.00 176.83 176.21 1x55 h TYR 249 N 0.39 0.26 -0.45 3.45 3.20 -0.87 0.27 116.97 123.22 1x55 h TYR 249 Ca 0.11 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.07 1x55 h TYR 249 Cb -0.04 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.06 1x55 h TYR 249 CO -0.06 0.22 -0.09 0.52 -1.64 0.00 0.00 178.16 177.10 1x55 h MET 250 N 0.22 0.02 -0.14 1.82 2.86 -0.77 0.32 114.93 119.25 1x55 h MET 250 Ca 0.07 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1x55 h MET 250 Cb 0.04 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1x55 h MET 250 CO -0.01 0.01 -0.07 0.28 1.06 0.00 0.00 176.91 178.18 1x55 h VAL 251 N 0.02 1.32 -0.40 -2.22 2.07 -0.73 -1.59 116.25 114.70 1x55 h VAL 251 Ca 0.22 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1x55 h VAL 251 Cb 0.33 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1x55 h VAL 251 CO -0.45 0.33 0.02 1.56 0.02 0.00 0.00 177.57 179.05 1x55 h GLN 252 N -0.04 0.70 -0.92 1.57 1.08 -0.79 0.11 115.11 116.82 1x55 h GLN 252 Ca 0.03 -0.21 0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1x55 h GLN 252 Cb 0.54 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 1x55 h GLN 252 CO 0.02 0.77 0.61 -0.09 -0.95 0.00 0.00 178.83 179.19 1x55 h ARG 253 N 0.53 1.18 -0.17 1.46 9.65 -0.96 -1.31 114.38 124.77 1x55 h ARG 253 Ca 0.12 -0.07 -0.19 0.00 -1.10 0.00 0.00 59.98 58.74 1x55 h ARG 253 Cb 0.44 -0.27 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1x55 h ARG 253 CO 0.02 0.78 -0.66 1.15 2.80 0.00 0.00 179.97 184.06 1x55 h THR 254 N 1.21 1.31 -0.79 0.20 2.02 -0.92 -2.28 112.91 113.67 1x55 h THR 254 Ca 0.35 -1.92 0.07 0.00 0.77 0.00 0.00 66.41 65.69 1x55 h THR 254 Cb -0.08 1.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 1x55 h THR 254 CO -0.09 0.60 0.46 -0.07 0.37 0.00 0.00 175.52 176.79 1x55 h LEU 255 N 0.47 0.70 -0.60 2.58 3.38 -0.57 0.20 115.31 121.46 1x55 h LEU 255 Ca -0.02 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1x55 h LEU 255 Cb 1.24 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1x55 h LEU 255 CO 0.13 0.43 0.26 -0.08 0.09 0.00 0.00 178.44 179.27 1x55 h GLU 256 N 0.82 0.89 0.01 1.13 4.81 -1.05 -3.18 114.58 118.01 1x55 h GLU 256 Ca 0.36 -0.15 -0.33 0.00 -0.13 0.00 0.00 59.36 59.11 1x55 h GLU 256 Cb 0.24 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1x55 h GLU 256 CO -0.20 0.74 -2.05 1.28 -0.73 0.00 0.00 179.01 178.04 1x55 n LEU 257 N -4.48 0.76 -0.70 1.64 4.77 -0.87 -4.57 117.00 113.54 1x55 n LEU 257 Ca 0.04 0.20 0.06 0.00 -0.03 0.00 0.00 56.01 56.27 1x55 n LEU 257 Cb 0.15 0.15 0.19 0.00 -2.33 0.00 0.00 43.42 41.58 1x55 n LEU 257 CO 0.38 0.50 0.33 0.54 -1.33 0.00 0.00 177.39 177.81 1x55 n ARG 258 N -2.97 1.44 -0.19 3.23 5.12 0.68 -4.79 116.66 119.18 1x55 n ARG 258 Ca -0.26 -3.18 -0.01 0.00 -1.93 0.00 0.00 57.85 52.47 1x55 n ARG 258 Cb 1.09 -1.46 0.10 0.00 -1.16 0.00 0.00 32.46 31.03 1x55 n ARG 258 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1x55 h LYS 259 N 1.01 0.36 -0.12 5.56 3.64 -1.67 -0.27 116.57 125.08 1x55 h LYS 259 Ca -0.02 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1x55 h LYS 259 Cb 1.09 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 1x55 h LYS 259 CO 0.02 0.24 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.11 1x55 h LYS 260 N 0.37 -0.12 -0.60 1.90 3.64 -1.91 -0.38 116.57 119.48 1x55 h LYS 260 Ca 0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1x55 h LYS 260 Cb 0.37 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1x55 h LYS 260 CO -0.31 -0.08 0.39 0.93 -2.27 0.00 0.00 179.45 178.11 1x55 h GLU 261 N -0.12 0.79 -0.53 1.90 3.07 -1.80 -2.89 114.58 114.99 1x55 h GLU 261 Ca 0.08 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 1x55 h GLU 261 Cb 0.24 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1x55 h GLU 261 CO -0.19 0.53 0.11 0.82 -1.40 0.00 0.00 179.01 178.88 1x55 h ILE 262 N 0.81 1.23 0.00 3.13 2.04 -0.46 -2.10 117.51 122.15 1x55 h ILE 262 Ca 0.22 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1x55 h ILE 262 Cb -0.08 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1x55 h ILE 262 CO -0.05 0.31 0.00 -0.62 0.00 0.00 0.00 178.15 177.80 1x55 n GLU 263 N -4.26 0.20 0.27 2.37 1.02 -0.21 -0.87 120.64 119.17 1x55 n GLU 263 Ca 0.04 0.43 0.17 0.00 -0.02 0.00 0.00 57.16 57.77 1x55 n GLU 263 Cb 0.24 -1.88 0.70 0.00 -0.02 0.00 0.00 31.44 30.48 1x55 n GLU 263 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1x55 h MET 264 N 0.00 0.00 0.00 3.49 2.86 -1.23 -3.35 114.93 116.70 1x55 h MET 264 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1x55 h MET 264 Cb 0.37 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1x55 h MET 264 CO 0.00 0.04 -1.24 1.19 1.06 0.00 0.00 176.91 177.95 1x55 n PHE 265 N -3.16 0.00 -4.63 -0.22 3.01 -0.05 -5.03 117.46 107.38 1x55 n PHE 265 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1x55 n PHE 265 Cb 0.30 -0.12 -0.16 0.00 -0.01 0.00 0.00 39.48 39.49 1x55 n PHE 265 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x55 s ARG 266 N -2.36 1.49 0.24 -1.08 0.52 -0.41 -4.68 118.95 112.66 1x55 s ARG 266 Ca -0.02 -0.46 0.15 0.00 -0.52 0.00 0.00 55.73 54.88 1x55 s ARG 266 Cb 0.03 -1.30 0.02 0.00 0.52 0.00 0.00 34.95 34.23 1x55 s ARG 266 CO 0.22 0.15 1.33 -0.44 0.02 0.00 0.00 175.30 176.58 1x55 h ASP 267 N 6.46 0.00 -3.26 0.23 3.32 -1.89 -3.41 116.42 117.87 1x55 h ASP 267 Ca -0.32 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.22 1x55 h ASP 267 Cb 1.18 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.35 1x55 h ASP 267 CO 0.48 0.52 -0.78 -0.62 -1.72 0.00 0.00 179.24 177.12 1x55 s ASP 268 N -6.34 2.27 0.00 6.45 3.68 -1.26 -5.00 116.67 116.47 1x55 s ASP 268 Ca 0.03 -0.41 0.23 0.00 2.13 0.00 0.00 52.55 54.53 1x55 s ASP 268 Cb 0.08 -0.69 0.56 0.00 -1.45 0.00 0.00 42.92 41.42 1x55 s ASP 268 CO 0.76 -0.19 1.46 0.18 0.13 0.00 0.00 175.17 177.51 1x55 n LEU 269 N 5.01 2.57 -0.09 -1.34 4.77 -1.26 -4.69 117.00 121.97 1x55 n LEU 269 Ca -0.10 -1.04 -0.10 0.00 -0.03 0.00 0.00 56.01 54.74 1x55 n LEU 269 Cb 0.49 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1x55 n LEU 269 CO 0.14 0.52 0.60 0.74 -1.33 0.00 0.00 177.39 178.06 1x55 h THR 270 N 3.50 0.16 -0.19 -5.08 2.02 -1.97 -0.72 112.91 110.63 1x55 h THR 270 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x55 h THR 270 Cb 0.76 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1x55 h THR 270 CO 0.00 0.00 0.12 0.71 0.37 0.00 0.00 175.52 176.72 1x55 h THR 271 N -0.35 1.05 -0.12 3.16 1.35 -1.84 0.57 112.91 116.73 1x55 h THR 271 Ca 0.13 -0.09 -0.07 0.00 -0.55 0.00 0.00 66.41 65.82 1x55 h THR 271 Cb 0.58 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1x55 h THR 271 CO -0.51 0.05 -0.21 -0.07 -0.25 0.00 0.00 175.52 174.53 1x55 h LEU 272 N 0.25 0.40 -1.30 3.87 3.38 -1.53 -3.04 115.31 117.34 1x55 h LEU 272 Ca 0.07 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1x55 h LEU 272 Cb -0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1x55 h LEU 272 CO -0.01 0.86 0.50 0.11 0.09 0.00 0.00 178.44 179.98 1x55 h LYS 273 N -0.05 0.87 0.00 1.13 1.79 -0.61 -1.36 116.57 118.33 1x55 h LYS 273 Ca 0.01 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1x55 h LYS 273 Cb 0.78 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1x55 h LYS 273 CO 0.05 0.58 0.00 0.09 -1.08 0.00 0.00 179.45 179.08 1x55 n ASN 274 N -4.46 0.00 -4.50 0.86 3.02 0.14 -4.58 115.26 105.73 1x55 n ASN 274 Ca 0.10 0.16 -0.44 0.00 -0.03 0.00 0.00 54.58 54.37 1x55 n ASN 274 Cb 0.15 -0.33 -0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1x55 n ASN 274 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x55 s THR 275 N -2.67 4.74 0.01 3.41 2.01 -0.52 -4.88 115.64 117.74 1x55 s THR 275 Ca 0.13 -2.41 -0.05 0.00 0.31 0.00 0.00 61.69 59.67 1x55 s THR 275 Cb 0.10 -5.01 -0.01 0.00 0.01 0.00 0.00 72.50 67.60 1x55 s THR 275 CO 0.25 -1.76 0.08 -1.61 -0.69 0.00 0.00 174.62 170.89 1x55 s GLU 276 N 2.44 0.42 0.72 4.92 0.41 -1.26 -4.51 118.70 121.83 1x55 s GLU 276 Ca 0.47 -0.46 -0.13 0.00 -0.41 0.00 0.00 54.97 54.44 1x55 s GLU 276 Cb -0.01 0.17 0.03 0.00 -1.78 0.00 0.00 34.13 32.55 1x55 s GLU 276 CO 0.03 -0.09 1.11 -2.14 -0.49 0.00 0.00 175.26 173.68 1x55 s PRO 277 N -1.39 2.44 0.13 0.39 0.02 -1.26 -4.20 135.00 131.14 1x55 s PRO 277 Ca -0.15 1.34 -0.28 0.00 0.02 0.00 0.00 61.00 61.92 1x55 s PRO 277 Cb -0.08 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1x55 s PRO 277 CO 0.01 -1.52 0.90 -1.25 -0.33 0.00 0.00 177.00 174.80 1x55 s PRO 278 N -4.43 4.68 0.43 5.54 0.04 -1.26 -5.15 135.00 134.85 1x55 s PRO 278 Ca 0.65 1.35 -0.23 0.00 0.04 0.00 0.00 61.00 62.81 1x55 s PRO 278 Cb -0.20 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 1x55 s PRO 278 CO 0.48 0.34 1.08 -0.06 0.04 0.00 0.00 177.00 178.89 1x55 s PHE 279 N -0.42 3.11 0.41 0.56 0.08 -1.26 -5.01 117.98 115.45 1x55 s PHE 279 Ca 0.43 1.60 -0.26 0.00 0.12 0.00 0.00 56.93 58.82 1x55 s PHE 279 Cb -0.23 -3.20 -0.10 0.00 -0.57 0.00 0.00 43.02 38.92 1x55 s PHE 279 CO 0.29 -0.92 1.32 -2.30 -0.10 0.00 0.00 175.22 173.50 1x55 n PRO 280 N -0.31 2.08 -4.36 0.24 -0.02 -1.26 -4.81 135.00 126.55 1x55 n PRO 280 Ca 0.06 0.74 -0.26 0.00 -2.02 0.00 0.00 63.50 62.02 1x55 n PRO 280 Cb 0.49 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.37 1x55 n PRO 280 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1x55 s ARG 281 N -2.19 1.80 0.10 -0.52 0.52 -1.26 -0.75 118.95 116.65 1x55 s ARG 281 Ca 0.59 -0.41 0.09 0.00 -0.52 0.00 0.00 55.73 55.48 1x55 s ARG 281 Cb -0.50 -1.59 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 1x55 s ARG 281 CO 0.59 -0.08 -0.24 0.96 0.02 0.00 0.00 175.30 176.56 1x55 s ILE 282 N 1.04 1.94 0.72 1.52 -4.36 -0.30 -4.97 121.20 116.79 1x55 s ILE 282 Ca -0.07 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 58.65 1x55 s ILE 282 Cb -0.15 -1.73 0.02 0.00 1.25 0.00 0.00 42.46 41.86 1x55 s ILE 282 CO -0.01 0.07 1.07 -0.94 0.24 0.00 0.00 174.94 175.37 1x55 s SER 283 N -1.80 5.05 0.43 4.36 1.04 -1.26 -1.73 113.70 119.78 1x55 s SER 283 Ca 0.10 1.72 0.14 0.00 0.48 0.00 0.00 55.95 58.39 1x55 s SER 283 Cb -0.10 -2.51 1.03 0.00 0.10 0.00 0.00 66.02 64.54 1x55 s SER 283 CO 0.04 -1.66 1.95 0.22 0.98 0.00 0.00 173.24 174.77 1x55 h TYR 284 N -0.79 0.47 -0.34 5.02 3.20 -0.87 0.02 116.97 123.68 1x55 h TYR 284 Ca -0.44 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 1x55 h TYR 284 Cb 1.22 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1x55 h TYR 284 CO 0.60 0.21 0.12 -0.44 -1.64 0.00 0.00 178.16 177.01 1x55 h ASP 285 N 0.43 0.47 -0.80 -2.11 3.32 -1.84 -0.71 116.42 115.18 1x55 h ASP 285 Ca 0.32 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1x55 h ASP 285 Cb 0.66 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1x55 h ASP 285 CO -0.09 0.53 0.39 -0.33 -1.72 0.00 0.00 179.24 178.02 1x55 h GLU 286 N 0.39 1.14 -0.35 3.56 5.08 -1.73 -1.92 114.58 120.75 1x55 h GLU 286 Ca 0.11 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1x55 h GLU 286 Cb 0.21 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1x55 h GLU 286 CO -0.01 0.87 0.15 0.00 -1.00 0.00 0.00 179.01 179.02 1x55 h ALA 287 N 1.21 0.42 -0.53 3.43 0.00 -0.53 0.93 119.26 124.18 1x55 h ALA 287 Ca 0.27 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1x55 h ALA 287 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1x55 h ALA 287 CO -0.04 -0.24 0.28 0.82 0.00 0.00 0.00 179.25 180.07 1x55 h ILE 288 N 0.31 0.97 -0.31 0.00 1.08 -0.95 -0.22 117.51 118.39 1x55 h ILE 288 Ca 0.15 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1x55 h ILE 288 Cb 0.10 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1x55 h ILE 288 CO -0.13 0.10 0.17 0.44 -0.69 0.00 0.00 178.15 178.04 1x55 h ASP 289 N 0.54 0.38 0.13 1.72 3.32 -0.56 0.75 116.42 122.69 1x55 h ASP 289 Ca 0.23 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1x55 h ASP 289 Cb 0.13 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1x55 h ASP 289 CO -0.15 0.34 -0.19 0.40 -1.72 0.00 0.00 179.24 177.92 1x55 h ILE 290 N 0.38 0.57 -0.34 0.35 2.04 -0.69 0.25 117.51 120.08 1x55 h ILE 290 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1x55 h ILE 290 Cb 0.04 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1x55 h ILE 290 CO -0.02 0.00 0.08 -0.07 0.00 0.00 0.00 178.15 178.14 1x55 h LEU 291 N -0.38 0.04 -1.11 1.44 3.38 -0.80 -1.67 115.31 116.22 1x55 h LEU 291 Ca 0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1x55 h LEU 291 Cb 0.38 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1x55 h LEU 291 CO -0.09 0.06 0.27 1.56 0.09 0.00 0.00 178.44 180.34 1x55 h GLN 292 N 0.21 0.90 0.00 1.13 4.20 -0.76 -0.56 115.11 120.23 1x55 h GLN 292 Ca 0.16 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1x55 h GLN 292 Cb 0.17 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1x55 h GLN 292 CO -0.20 0.72 -0.16 0.66 -0.67 0.00 0.00 178.83 179.18 1x55 h SER 293 N 0.89 0.00 -0.54 1.46 4.64 -0.19 -1.87 113.55 117.94 1x55 h SER 293 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1x55 h SER 293 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1x55 h SER 293 CO -0.02 0.16 0.00 0.29 -0.87 0.00 0.00 176.83 176.38 1x55 n LYS 294 N -3.92 2.34 -0.58 4.77 5.02 -0.70 -4.93 118.16 120.15 1x55 n LYS 294 Ca -0.02 -1.97 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 1x55 n LYS 294 Cb 0.25 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1x55 n LYS 294 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x55 n GLY 295 N 1.32 0.70 3.72 0.72 0.00 -0.70 -5.04 105.19 105.90 1x55 n GLY 295 Ca 0.18 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1x55 n GLY 295 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x55 s VAL 296 N -2.00 4.84 -1.39 1.61 1.01 -0.28 -4.95 120.40 119.25 1x55 s VAL 296 Ca 0.00 1.90 -0.13 0.00 0.00 0.00 0.00 61.98 63.75 1x55 s VAL 296 Cb 0.00 -4.25 0.09 0.00 0.00 0.00 0.00 36.38 32.22 1x55 s VAL 296 CO 0.00 0.22 2.07 -3.20 0.00 0.00 0.00 175.10 174.19 1x55 n ASN 297 N 3.63 4.35 -4.43 3.32 4.05 -1.26 -3.95 115.26 120.97 1x55 n ASN 297 Ca 0.03 -2.93 -0.30 0.00 0.45 0.00 0.00 54.58 51.83 1x55 n ASN 297 Cb 0.51 -1.60 -0.13 0.00 1.23 0.00 0.00 39.78 39.78 1x55 n ASN 297 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1x55 s VAL 298 N 2.32 2.59 0.09 3.44 0.11 -1.26 -5.13 120.40 122.55 1x55 s VAL 298 Ca 0.45 -1.34 0.09 0.00 -2.93 0.00 0.00 61.98 58.25 1x55 s VAL 298 Cb 0.12 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.84 1x55 s VAL 298 CO -0.05 0.28 -0.23 -1.61 -3.33 0.00 0.00 175.10 170.17 1x55 s GLU 299 N -1.56 1.33 0.06 1.54 2.02 -1.26 -4.82 118.70 116.01 1x55 s GLU 299 Ca 0.14 -1.14 -0.35 0.00 0.02 0.00 0.00 54.97 53.64 1x55 s GLU 299 Cb -0.10 -1.60 -0.15 0.00 0.10 0.00 0.00 34.13 32.38 1x55 s GLU 299 CO 0.05 0.39 1.57 1.87 0.02 0.00 0.00 175.26 179.16 1x55 n TRP 300 N 1.33 2.05 0.00 1.61 -0.00 -1.26 -1.20 117.44 119.97 1x55 n TRP 300 Ca -0.18 0.35 0.00 0.00 -0.00 0.00 0.00 57.50 57.67 1x55 n TRP 300 Cb 0.53 -2.49 0.00 0.00 -0.00 0.00 0.00 31.31 29.35 1x55 n TRP 300 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1x55 n GLY 301 N 3.37 2.73 3.77 5.87 0.00 -1.26 -5.08 105.19 114.60 1x55 n GLY 301 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1x55 n GLY 301 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x55 s ASP 302 N -1.55 6.33 0.30 1.61 1.01 -0.34 -4.83 116.67 119.19 1x55 s ASP 302 Ca 0.00 2.22 -0.29 0.00 0.71 0.00 0.00 52.55 55.18 1x55 s ASP 302 Cb 0.00 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 1x55 s ASP 302 CO 0.00 -0.80 1.37 -0.62 0.21 0.00 0.00 175.17 175.33 1x55 s ASP 303 N -1.45 6.70 -0.57 0.27 -1.08 -1.26 -4.96 116.67 114.33 1x55 s ASP 303 Ca 0.62 2.70 -0.22 0.00 -0.52 0.00 0.00 52.55 55.13 1x55 s ASP 303 Cb -0.26 -2.64 0.06 0.00 -1.46 0.00 0.00 42.92 38.62 1x55 s ASP 303 CO 0.32 -0.62 0.85 -0.76 0.52 0.00 0.00 175.17 175.48 1x55 s LEU 304 N -1.22 4.48 0.00 -1.34 1.43 -1.26 -5.02 118.68 115.75 1x55 s LEU 304 Ca 0.53 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1x55 s LEU 304 Cb -0.41 -2.59 0.19 0.00 0.03 0.00 0.00 46.19 43.41 1x55 s LEU 304 CO 0.50 -1.18 1.15 0.61 0.23 0.00 0.00 176.35 177.65 1x55 n GLY 305 N 5.19 -0.97 0.33 -3.19 0.00 -1.26 -4.80 105.19 100.49 1x55 n GLY 305 Ca -0.03 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.30 1x55 n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x55 h ALA 306 N -1.52 1.44 -0.41 4.61 0.00 -1.99 -1.52 119.26 119.86 1x55 h ALA 306 Ca -0.37 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1x55 h ALA 306 Cb 1.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1x55 h ALA 306 CO 0.29 -0.03 -0.25 -0.44 0.00 0.00 0.00 179.25 178.82 1x55 h ASP 307 N 0.72 0.87 -0.11 0.00 3.45 -1.97 -0.53 116.42 118.85 1x55 h ASP 307 Ca 0.50 -0.33 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 1x55 h ASP 307 Cb 0.70 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1x55 h ASP 307 CO -0.35 1.07 0.02 -0.33 -1.57 0.00 0.00 179.24 178.08 1x55 h GLU 308 N 0.73 0.18 -0.81 3.56 3.07 -1.79 -2.45 114.58 117.07 1x55 h GLU 308 Ca 0.09 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 59.00 1x55 h GLU 308 Cb 0.79 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.60 1x55 h GLU 308 CO 0.07 0.38 0.46 0.93 -1.40 0.00 0.00 179.01 179.44 1x55 h GLU 309 N -0.04 0.74 -0.23 2.33 5.08 -1.20 -0.99 114.58 120.27 1x55 h GLU 309 Ca 0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1x55 h GLU 309 Cb 0.28 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1x55 h GLU 309 CO 0.00 0.49 0.07 -0.09 -1.00 0.00 0.00 179.01 178.49 1x55 h ARG 310 N 0.77 0.17 -0.51 2.33 2.43 -0.84 -1.15 114.38 117.57 1x55 h ARG 310 Ca 0.39 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1x55 h ARG 310 Cb 0.36 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1x55 h ARG 310 CO -0.25 0.11 0.09 0.28 -1.51 0.00 0.00 179.97 178.70 1x55 h VAL 311 N 0.17 1.25 -0.93 0.20 2.07 -1.10 -2.71 116.25 115.20 1x55 h VAL 311 Ca 0.10 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.81 1x55 h VAL 311 Cb 0.08 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 1x55 h VAL 311 CO -0.11 0.33 0.60 0.25 0.02 0.00 0.00 177.57 178.66 1x55 h LEU 312 N 0.72 0.85 -2.60 2.57 5.85 -0.74 -1.88 115.31 120.08 1x55 h LEU 312 Ca 0.16 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1x55 h LEU 312 Cb 0.38 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1x55 h LEU 312 CO 0.01 0.48 -0.00 0.71 -0.34 0.00 0.00 178.44 179.30 1x55 h THR 313 N 0.93 0.02 -0.02 1.05 1.35 -0.88 -2.68 112.91 112.67 1x55 h THR 313 Ca 0.44 -0.13 0.01 0.00 -0.55 0.00 0.00 66.41 66.17 1x55 h THR 313 Cb 0.43 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1x55 h THR 313 CO -0.20 0.00 0.05 -0.33 -0.25 0.00 0.00 175.52 174.79 1x55 h GLU 314 N 0.00 0.00 -0.19 4.72 5.08 -1.39 -1.67 114.58 121.13 1x55 h GLU 314 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x55 h GLU 314 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x55 h GLU 314 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1x55 n GLU 315 N -3.32 1.97 -4.16 2.33 -0.58 -1.01 -4.94 120.64 110.93 1x55 n GLU 315 Ca -0.02 -1.45 -0.16 0.00 -0.42 0.00 0.00 57.16 55.10 1x55 n GLU 315 Cb 0.13 -1.44 -0.12 0.00 -0.57 0.00 0.00 31.44 29.43 1x55 n GLU 315 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x55 s PHE 316 N -1.77 0.91 -0.12 -0.32 0.40 -0.63 -5.05 117.98 111.40 1x55 s PHE 316 Ca 0.34 -0.41 0.17 0.00 -0.60 0.00 0.00 56.93 56.43 1x55 s PHE 316 Cb 0.19 -0.53 0.26 0.00 0.51 0.00 0.00 43.02 43.45 1x55 s PHE 316 CO 0.29 -0.01 1.14 -0.40 0.70 0.00 0.00 175.22 176.93 1x55 n ASP 317 N 1.68 2.17 -3.69 1.36 5.75 -1.26 -4.66 116.55 117.90 1x55 n ASP 317 Ca -0.20 -2.99 -0.05 0.00 -0.01 0.00 0.00 54.79 51.54 1x55 n ASP 317 Cb 0.55 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 40.22 1x55 n ASP 317 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x55 s ARG 318 N -2.63 1.45 0.64 0.11 1.70 -1.26 -4.36 118.95 114.60 1x55 s ARG 318 Ca 0.29 -0.83 -0.18 0.00 -0.47 0.00 0.00 55.73 54.54 1x55 s ARG 318 Cb 0.25 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 35.10 1x55 s ARG 318 CO 0.03 -0.67 1.29 -2.14 -1.08 0.00 0.00 175.30 172.73 1x55 s PRO 319 N -3.29 2.62 0.05 3.89 0.02 -1.26 -4.30 135.00 132.73 1x55 s PRO 319 Ca 0.13 2.07 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 1x55 s PRO 319 Cb -0.03 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.62 1x55 s PRO 319 CO 0.05 -1.55 0.24 -0.59 -0.33 0.00 0.00 177.00 174.82 1x55 s PHE 320 N -1.40 0.00 -0.05 6.54 -0.71 -0.69 -4.17 117.98 117.50 1x55 s PHE 320 Ca 0.82 -0.23 -0.04 0.00 -1.04 0.00 0.00 56.93 56.44 1x55 s PHE 320 Cb -0.37 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.42 1x55 s PHE 320 CO 0.40 -0.48 0.16 -0.06 -1.34 0.00 0.00 175.22 173.90 1x55 s PHE 321 N -2.79 3.55 -0.13 3.49 0.08 0.07 -0.44 117.98 121.81 1x55 s PHE 321 Ca -0.03 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.45 1x55 s PHE 321 Cb -0.00 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1x55 s PHE 321 CO -0.05 0.68 -0.18 0.08 -0.10 0.00 0.00 175.22 175.65 1x55 s VAL 322 N -1.20 2.49 0.18 -0.44 1.01 -0.44 -1.15 120.40 120.86 1x55 s VAL 322 Ca 0.22 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1x55 s VAL 322 Cb -0.12 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1x55 s VAL 322 CO 0.13 0.53 -0.10 -0.72 0.00 0.00 0.00 175.10 174.94 1x55 s TYR 323 N 0.61 1.45 -0.37 5.22 1.13 -0.71 -0.87 117.35 123.81 1x55 s TYR 323 Ca -0.10 -0.74 -0.01 0.00 -1.41 0.00 0.00 57.07 54.81 1x55 s TYR 323 Cb -0.16 -0.74 -0.02 0.00 -1.10 0.00 0.00 41.96 39.94 1x55 s TYR 323 CO 0.03 0.14 0.32 0.41 -2.51 0.00 0.00 175.55 173.94 1x55 n GLY 324 N -0.29 0.20 3.82 5.49 0.00 -0.38 -0.32 105.19 113.71 1x55 n GLY 324 Ca -0.09 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1x55 n GLY 324 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x55 s TYR 325 N -3.13 3.24 0.22 1.61 1.51 -1.21 -4.36 117.35 115.23 1x55 s TYR 325 Ca 0.11 1.49 -0.32 0.00 -1.01 0.00 0.00 57.07 57.35 1x55 s TYR 325 Cb -0.01 -2.89 -0.14 0.00 -0.11 0.00 0.00 41.96 38.80 1x55 s TYR 325 CO 0.25 -0.68 1.42 -2.30 -1.11 0.00 0.00 175.55 173.13 1x55 n PRO 326 N -1.69 1.98 -0.34 -1.71 -0.02 -1.26 -0.79 135.00 131.17 1x55 n PRO 326 Ca 0.08 0.71 0.08 0.00 -2.02 0.00 0.00 63.50 62.34 1x55 n PRO 326 Cb 0.53 -2.37 0.27 0.00 -0.02 0.00 0.00 33.50 31.91 1x55 n PRO 326 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1x55 h LYS 327 N 4.47 0.92 -0.05 -0.52 3.64 -1.19 -3.08 116.57 120.76 1x55 h LYS 327 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1x55 h LYS 327 Cb 1.28 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1x55 h LYS 327 CO 0.78 0.61 0.00 0.72 -2.27 0.00 0.00 179.45 179.28 1x55 n HIS 328 N -4.59 0.05 -0.83 1.91 8.25 -1.26 -2.21 115.22 116.54 1x55 n HIS 328 Ca 0.18 -0.03 0.08 0.00 -0.26 0.00 0.00 57.72 57.69 1x55 n HIS 328 Cb 0.36 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.75 1x55 n HIS 328 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1x55 n ILE 329 N -0.14 2.16 -4.31 1.59 -5.35 -1.16 -5.02 119.36 107.13 1x55 n ILE 329 Ca 0.19 -1.62 -0.17 0.00 -0.27 0.00 0.00 62.75 60.89 1x55 n ILE 329 Cb 0.27 -0.12 -0.10 0.00 -1.74 0.00 0.00 39.64 37.95 1x55 n ILE 329 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1x55 s LYS 330 N -2.48 1.22 0.68 6.28 -0.14 -0.94 -5.04 119.74 119.32 1x55 s LYS 330 Ca 0.43 -1.53 -0.17 0.00 -1.36 0.00 0.00 55.97 53.34 1x55 s LYS 330 Cb 0.32 -0.92 0.01 0.00 -1.68 0.00 0.00 37.83 35.57 1x55 s LYS 330 CO 0.13 0.14 1.26 0.00 -0.76 0.00 0.00 175.35 176.12 1x55 s ALA 331 N -3.10 2.25 0.57 5.17 0.00 -1.26 -4.91 121.76 120.48 1x55 s ALA 331 Ca 0.20 1.10 0.26 0.00 0.00 0.00 0.00 51.96 53.52 1x55 s ALA 331 Cb 0.01 -3.53 1.56 0.00 0.00 0.00 0.00 23.12 21.16 1x55 s ALA 331 CO 0.04 -1.74 2.09 0.27 0.00 0.00 0.00 175.76 176.42 1x55 h PHE 332 N 0.19 0.00 -0.01 0.00 -5.15 -1.93 -2.88 116.94 107.16 1x55 h PHE 332 Ca -0.50 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.27 1x55 h PHE 332 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.49 1x55 h PHE 332 CO 0.43 0.00 -0.14 2.48 -2.00 0.00 0.00 178.31 179.08 1x55 n TYR 333 N -4.01 0.00 -2.86 6.09 0.18 -1.26 -4.75 117.16 110.55 1x55 n TYR 333 Ca 0.03 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.42 1x55 n TYR 333 Cb 0.35 -0.13 -0.06 0.00 -0.38 0.00 0.00 39.34 39.11 1x55 n TYR 333 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1x55 s MET 334 N -2.41 4.64 0.13 -3.48 1.00 -1.09 -0.79 119.30 117.31 1x55 s MET 334 Ca 0.29 1.29 -0.30 0.00 0.00 0.00 0.00 55.69 56.97 1x55 s MET 334 Cb 0.20 -3.11 -0.07 0.00 0.00 0.00 0.00 34.83 31.85 1x55 s MET 334 CO 0.47 0.46 1.23 0.21 0.00 0.00 0.00 175.02 177.39 1x55 s LYS 335 N -1.49 4.44 0.56 2.03 2.20 -0.65 -4.49 119.74 122.34 1x55 s LYS 335 Ca 0.42 1.88 -0.21 0.00 -0.36 0.00 0.00 55.97 57.70 1x55 s LYS 335 Cb -0.22 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1x55 s LYS 335 CO 0.27 -0.21 1.34 0.39 -0.36 0.00 0.00 175.35 176.78 1x55 n GLU 336 N 3.24 1.61 -2.14 4.03 1.02 -1.26 -0.27 120.64 126.87 1x55 n GLU 336 Ca 0.07 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.38 1x55 n GLU 336 Cb 0.45 -2.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.28 1x55 n GLU 336 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x55 s ASP 337 N -0.97 6.69 0.33 1.62 3.68 -0.28 -4.56 116.67 123.19 1x55 s ASP 337 Ca 0.73 1.99 0.12 0.00 2.13 0.00 0.00 52.55 57.51 1x55 s ASP 337 Cb -0.41 -2.53 0.57 0.00 -1.45 0.00 0.00 42.92 39.09 1x55 s ASP 337 CO 0.48 -0.94 1.74 -0.65 0.13 0.00 0.00 175.17 175.93 1x55 h PRO 338 N 9.38 0.01 0.00 4.34 0.11 -1.93 -1.88 132.00 142.03 1x55 h PRO 338 Ca -0.35 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 1x55 h PRO 338 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1x55 h PRO 338 CO 0.97 0.48 -0.35 -0.91 -0.21 0.00 0.00 178.00 177.97 1x55 h ASN 339 N 0.00 0.00 -1.34 -2.05 -0.26 -1.98 -3.41 115.58 106.54 1x55 h ASN 339 Ca -0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.58 1x55 h ASN 339 Cb 0.84 0.00 -0.24 0.00 -1.06 0.00 0.00 38.32 37.86 1x55 h ASN 339 CO 0.06 0.35 -0.52 -0.62 -1.06 0.00 0.00 177.43 175.64 1x55 s ASP 340 N -6.53 -0.59 0.00 5.81 3.68 -0.76 -5.03 116.67 113.25 1x55 s ASP 340 Ca -0.01 -0.89 0.09 0.00 2.13 0.00 0.00 52.55 53.87 1x55 s ASP 340 Cb 0.12 1.49 0.51 0.00 -1.45 0.00 0.00 42.92 43.59 1x55 s ASP 340 CO 0.68 -0.22 1.08 -2.65 0.13 0.00 0.00 175.17 174.19 1x55 n PRO 341 N 4.54 0.21 0.25 4.34 -0.02 -0.85 -1.18 135.00 142.29 1x55 n PRO 341 Ca 0.10 0.10 0.16 0.00 -2.02 0.00 0.00 63.50 61.83 1x55 n PRO 341 Cb 0.53 -1.50 0.58 0.00 -0.02 0.00 0.00 33.50 33.09 1x55 n PRO 341 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x55 h ARG 342 N 0.00 0.00 -6.17 -0.52 3.08 -1.96 -3.45 114.38 105.36 1x55 h ARG 342 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1x55 h ARG 342 Cb 0.04 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 1x55 h ARG 342 CO 0.00 0.00 -0.57 0.15 -1.07 0.00 0.00 179.97 178.48 1x55 s LYS 343 N -3.54 2.52 0.21 0.04 1.02 -0.33 -0.72 119.74 118.94 1x55 s LYS 343 Ca 0.03 -1.35 0.10 0.00 0.02 0.00 0.00 55.97 54.77 1x55 s LYS 343 Cb 0.08 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1x55 s LYS 343 CO 0.54 0.28 -0.14 0.14 -0.92 0.00 0.00 175.35 175.25 1x55 s VAL 344 N -2.30 2.89 -1.38 3.17 -7.23 0.03 -1.12 120.40 114.45 1x55 s VAL 344 Ca 0.34 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.45 1x55 s VAL 344 Cb -0.06 -2.45 0.06 0.00 0.56 0.00 0.00 36.38 34.50 1x55 s VAL 344 CO 0.23 -0.19 1.98 0.18 -0.31 0.00 0.00 175.10 176.98 1x55 n LEU 345 N -0.11 5.91 -4.26 1.32 4.77 0.63 -3.33 117.00 121.93 1x55 n LEU 345 Ca -0.10 -4.04 -0.20 0.00 -0.03 0.00 0.00 56.01 51.64 1x55 n LEU 345 Cb 0.57 -1.70 -0.12 0.00 -2.33 0.00 0.00 43.42 39.84 1x55 n LEU 345 CO 0.35 0.64 -0.47 0.00 -1.33 0.00 0.00 177.39 176.58 1x55 s ALA 346 N 3.64 1.61 0.00 -1.18 0.00 -1.26 -0.97 121.76 123.60 1x55 s ALA 346 Ca 0.50 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1x55 s ALA 346 Cb 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1x55 s ALA 346 CO -0.00 0.19 0.25 -1.54 0.00 0.00 0.00 175.76 174.65 1x55 s SER 347 N -2.28 -0.10 0.08 0.00 1.04 -0.41 -1.25 113.70 110.79 1x55 s SER 347 Ca 0.08 -0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.50 1x55 s SER 347 Cb -0.07 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1x55 s SER 347 CO 0.04 -0.46 -0.14 -1.81 0.98 0.00 0.00 173.24 171.85 1x55 s ASP 348 N -1.51 4.12 -0.21 7.02 1.01 -0.05 -1.61 116.67 125.45 1x55 s ASP 348 Ca -0.12 -0.42 -0.07 0.00 0.71 0.00 0.00 52.55 52.65 1x55 s ASP 348 Cb -0.05 -0.72 -0.04 0.00 1.01 0.00 0.00 42.92 43.12 1x55 s ASP 348 CO 0.02 0.21 0.06 -0.32 0.21 0.00 0.00 175.17 175.35 1x55 s MET 349 N -1.90 3.84 -0.10 8.23 -2.45 -0.26 -1.33 119.30 125.33 1x55 s MET 349 Ca 0.18 -0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.21 1x55 s MET 349 Cb -0.11 -3.25 -0.03 0.00 1.25 0.00 0.00 34.83 32.69 1x55 s MET 349 CO 0.10 0.09 -0.05 -0.51 1.05 0.00 0.00 175.02 175.69 1x55 s LEU 350 N 0.88 3.25 0.30 4.11 1.02 0.42 -0.29 118.68 128.36 1x55 s LEU 350 Ca 0.04 -0.03 -0.15 0.00 0.02 0.00 0.00 54.13 54.00 1x55 s LEU 350 Cb -0.14 -1.74 -0.09 0.00 0.02 0.00 0.00 46.19 44.25 1x55 s LEU 350 CO 0.02 0.31 0.72 0.00 0.02 0.00 0.00 176.35 177.42 1x55 s ALA 351 N -0.46 3.36 1.00 4.21 0.00 0.12 -1.70 121.76 128.28 1x55 s ALA 351 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1x55 s ALA 351 Cb -0.12 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1x55 s ALA 351 CO 0.02 0.35 0.00 -0.35 0.00 0.00 0.00 175.76 175.78 1x55 n PRO 352 N -0.18 -0.28 -2.76 0.00 -0.04 -1.26 -1.52 135.00 128.96 1x55 n PRO 352 Ca 0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 1x55 n PRO 352 Cb 0.53 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1x55 n PRO 352 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x55 n GLU 353 N -1.14 -3.55 -0.17 0.54 1.02 -1.26 -2.20 120.64 113.88 1x55 n GLU 353 Ca 0.00 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1x55 n GLU 353 Cb 0.00 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 25.80 1x55 n GLU 353 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x55 n GLY 354 N -1.32 2.08 0.20 0.62 0.00 -1.26 -4.93 105.19 100.58 1x55 n GLY 354 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1x55 n GLY 354 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x55 h TYR 355 N 0.00 0.74 -0.02 1.61 0.05 -1.53 -3.40 116.97 114.42 1x55 h TYR 355 Ca 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.58 1x55 h TYR 355 Cb 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.58 1x55 h TYR 355 CO 0.00 0.90 0.00 0.41 -1.05 0.00 0.00 178.16 178.42 1x55 n GLY 356 N 0.06 -0.32 3.68 3.88 0.00 -0.58 -4.82 105.19 107.10 1x55 n GLY 356 Ca -0.04 -1.07 -0.47 0.00 0.00 0.00 0.00 46.02 44.45 1x55 n GLY 356 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x55 n GLU 357 N 0.00 2.31 -0.02 1.61 2.13 -1.26 0.11 120.64 125.52 1x55 n GLU 357 Ca 0.00 0.84 -0.00 0.00 0.66 0.00 0.00 57.16 58.66 1x55 n GLU 357 Cb 0.00 -2.68 -0.05 0.00 0.27 0.00 0.00 31.44 28.97 1x55 n GLU 357 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1x55 n ILE 358 N 4.72 0.24 -4.61 6.31 -5.35 0.60 -4.87 119.36 116.39 1x55 n ILE 358 Ca 0.20 -0.22 -0.22 0.00 -0.27 0.00 0.00 62.75 62.25 1x55 n ILE 358 Cb 0.31 -0.32 -0.15 0.00 -1.74 0.00 0.00 39.64 37.74 1x55 n ILE 358 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1x55 s ILE 359 N -2.29 1.06 -0.06 7.28 1.01 -1.07 -1.41 121.20 125.73 1x55 s ILE 359 Ca -0.03 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1x55 s ILE 359 Cb 0.03 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.61 1x55 s ILE 359 CO 0.27 0.30 -0.21 -0.83 0.00 0.00 0.00 174.94 174.47 1x55 s GLY 360 N -0.29 1.14 0.29 6.18 0.00 -0.79 -1.11 107.32 112.74 1x55 s GLY 360 Ca 0.05 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 43.79 1x55 s GLY 360 CO -0.00 -0.40 0.56 -0.32 0.00 0.00 0.00 173.10 172.94 1x55 s GLY 361 N 0.11 0.60 0.07 0.20 0.00 -0.63 -1.19 107.32 106.48 1x55 s GLY 361 Ca -0.09 -0.90 -0.27 0.00 0.00 0.00 0.00 44.72 43.47 1x55 s GLY 361 CO 0.05 -0.57 0.88 -1.35 0.00 0.00 0.00 173.10 172.11 1x55 s SER 362 N -3.05 -0.32 0.42 1.64 1.04 -0.49 -1.28 113.70 111.66 1x55 s SER 362 Ca 0.21 -0.15 -0.23 0.00 0.48 0.00 0.00 55.95 56.26 1x55 s SER 362 Cb -0.02 0.45 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 1x55 s SER 362 CO 0.11 -0.76 1.05 -1.58 0.98 0.00 0.00 173.24 173.04 1x55 s GLN 363 N -3.25 4.05 0.06 4.02 0.74 -0.15 -1.70 119.66 123.44 1x55 s GLN 363 Ca 0.07 1.49 0.00 0.00 0.05 0.00 0.00 55.36 56.98 1x55 s GLN 363 Cb -0.01 -2.43 -0.04 0.00 1.10 0.00 0.00 33.01 31.63 1x55 s GLN 363 CO -0.05 -0.24 0.20 1.03 -0.55 0.00 0.00 175.29 175.68 1x55 s ARG 364 N -2.68 3.39 0.11 1.67 1.81 0.07 -1.64 118.95 121.68 1x55 s ARG 364 Ca 0.60 -0.45 -0.31 0.00 -1.72 0.00 0.00 55.73 53.85 1x55 s ARG 364 Cb -0.21 -3.02 -0.09 0.00 -0.45 0.00 0.00 34.95 31.18 1x55 s ARG 364 CO 0.26 0.61 1.57 -2.00 -0.68 0.00 0.00 175.30 175.06 1x55 s GLU 365 N -2.46 4.22 0.00 3.54 2.56 0.03 -4.44 118.70 122.16 1x55 s GLU 365 Ca 0.34 2.30 0.09 0.00 0.00 0.00 0.00 54.97 57.70 1x55 s GLU 365 Cb -0.13 -3.36 0.05 0.00 2.00 0.00 0.00 34.13 32.70 1x55 s GLU 365 CO 0.27 -0.63 0.74 -0.40 -0.56 0.00 0.00 175.26 174.68 1x55 n ASP 366 N 4.66 1.61 -4.66 -1.70 5.68 -1.26 -4.95 116.55 115.92 1x55 n ASP 366 Ca 0.14 -1.31 -0.38 0.00 -0.50 0.00 0.00 54.79 52.75 1x55 n ASP 366 Cb 0.40 0.11 -0.08 0.00 -1.14 0.00 0.00 41.12 40.41 1x55 n ASP 366 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x55 s ASP 367 N -0.88 6.29 0.11 -1.12 -1.08 -1.26 -4.81 116.67 113.92 1x55 s ASP 367 Ca 0.10 0.33 -0.24 0.00 -0.52 0.00 0.00 52.55 52.22 1x55 s ASP 367 Cb 0.07 -2.18 -0.08 0.00 -1.46 0.00 0.00 42.92 39.28 1x55 s ASP 367 CO 0.14 -0.03 1.68 0.22 0.52 0.00 0.00 175.17 177.70 1x55 h TYR 368 N 7.50 -0.37 -0.57 -5.34 5.03 -1.93 -1.43 116.97 119.86 1x55 h TYR 368 Ca -0.36 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 60.92 1x55 h TYR 368 Cb 1.17 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 39.58 1x55 h TYR 368 CO 0.68 -0.21 0.23 -0.44 -1.32 0.00 0.00 178.16 177.10 1x55 h ASP 369 N -0.25 0.79 -0.44 -2.11 3.32 -1.94 -0.42 116.42 115.37 1x55 h ASP 369 Ca 0.04 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1x55 h ASP 369 Cb 0.30 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1x55 h ASP 369 CO -0.12 0.75 0.18 0.11 -1.72 0.00 0.00 179.24 178.44 1x55 h LYS 370 N 0.79 0.65 -0.22 3.56 1.57 -1.96 -1.13 116.57 119.83 1x55 h LYS 370 Ca 0.19 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1x55 h LYS 370 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1x55 h LYS 370 CO -0.02 0.58 0.05 1.25 -0.57 0.00 0.00 179.45 180.75 1x55 h LEU 371 N 0.56 0.34 -0.50 2.94 5.85 -0.97 -1.56 115.31 121.97 1x55 h LEU 371 Ca 0.15 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.71 1x55 h LEU 371 Cb 0.17 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1x55 h LEU 371 CO -0.01 0.48 0.11 0.25 -0.34 0.00 0.00 178.44 178.93 1x55 h LEU 372 N 0.17 0.02 -0.89 2.25 5.85 -0.92 -1.02 115.31 120.77 1x55 h LEU 372 Ca 0.07 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1x55 h LEU 372 Cb 0.28 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1x55 h LEU 372 CO 0.00 0.04 0.58 -1.13 -0.34 0.00 0.00 178.44 177.59 1x55 h ASN 373 N 0.24 0.97 -0.48 1.25 -0.73 -1.02 -1.66 115.58 114.16 1x55 h ASN 373 Ca 0.25 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.35 1x55 h ASN 373 Cb 0.33 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 1x55 h ASN 373 CO -0.32 0.68 0.09 0.03 -0.37 0.00 0.00 177.43 177.54 1x55 h ARG 374 N 1.14 0.78 -0.33 6.67 2.47 -0.62 0.22 114.38 124.70 1x55 h ARG 374 Ca 0.35 -0.20 0.06 0.00 -1.26 0.00 0.00 59.98 58.93 1x55 h ARG 374 Cb -0.04 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.13 1x55 h ARG 374 CO -0.10 0.78 -0.04 0.82 0.56 0.00 0.00 179.97 181.99 1x55 h ILE 375 N 0.65 0.71 -0.53 2.04 2.04 -0.92 -1.11 117.51 120.40 1x55 h ILE 375 Ca 0.15 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 1x55 h ILE 375 Cb 0.37 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1x55 h ILE 375 CO 0.01 0.01 0.11 -0.07 0.00 0.00 0.00 178.15 178.21 1x55 h LEU 376 N 0.05 0.82 -1.69 1.44 3.38 -1.11 -1.15 115.31 117.05 1x55 h LEU 376 Ca 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1x55 h LEU 376 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1x55 h LEU 376 CO -0.31 0.85 0.06 -0.33 0.09 0.00 0.00 178.44 178.81 1x55 h GLU 377 N 0.75 0.26 -0.17 1.13 5.08 -0.68 -2.16 114.58 118.79 1x55 h GLU 377 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1x55 h GLU 377 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x55 h GLU 377 CO 0.01 0.24 0.00 0.39 -1.00 0.00 0.00 179.01 178.64 1x55 n GLU 378 N -4.44 1.51 -2.05 2.33 -0.58 -0.45 -4.90 120.64 112.06 1x55 n GLU 378 Ca -0.00 -0.77 -0.13 0.00 -0.42 0.00 0.00 57.16 55.84 1x55 n GLU 378 Cb 0.13 -1.26 -0.02 0.00 -0.57 0.00 0.00 31.44 29.72 1x55 n GLU 378 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x55 n GLY 379 N 0.94 0.18 3.91 0.62 0.00 -0.81 -5.02 105.19 105.00 1x55 n GLY 379 Ca 0.11 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1x55 n GLY 379 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x55 s MET 380 N -4.29 3.54 -0.35 1.61 -1.94 -0.46 -5.04 119.30 112.37 1x55 s MET 380 Ca 0.00 -0.25 -0.20 0.00 -1.71 0.00 0.00 55.69 53.52 1x55 s MET 380 Cb 0.00 -2.91 0.00 0.00 2.01 0.00 0.00 34.83 33.93 1x55 s MET 380 CO 0.00 0.50 0.64 0.34 -0.01 0.00 0.00 175.02 176.49 1x55 s ASP 381 N -2.60 6.43 0.61 3.03 -1.08 -1.26 -4.28 116.67 117.52 1x55 s ASP 381 Ca 0.39 0.17 0.32 0.00 -0.52 0.00 0.00 52.55 52.91 1x55 s ASP 381 Cb -0.12 -2.33 1.91 0.00 -1.46 0.00 0.00 42.92 40.92 1x55 s ASP 381 CO 0.26 -0.59 2.26 -0.65 0.52 0.00 0.00 175.17 176.97 1x55 h PRO 382 N 8.44 0.00 -0.93 4.34 0.11 -1.96 -1.49 132.00 140.51 1x55 h PRO 382 Ca -0.26 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.92 1x55 h PRO 382 Cb 1.11 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1x55 h PRO 382 CO 0.84 0.00 0.60 0.87 -0.21 0.00 0.00 178.00 180.10 1x55 h LYS 383 N 0.00 0.99 0.00 1.05 1.79 -2.00 0.34 116.57 118.74 1x55 h LYS 383 Ca 0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1x55 h LYS 383 Cb 0.07 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1x55 h LYS 383 CO -0.00 0.65 0.00 -0.25 -1.08 0.00 0.00 179.45 178.77 1x55 n ASP 384 N -4.51 0.53 -0.11 0.86 10.43 -0.56 -3.18 116.55 120.01 1x55 n ASP 384 Ca 0.15 0.63 0.04 0.00 2.57 0.00 0.00 54.79 58.17 1x55 n ASP 384 Cb 0.24 -0.74 0.05 0.00 1.84 0.00 0.00 41.12 42.51 1x55 n ASP 384 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1x55 n TYR 385 N -2.08 0.00 -0.29 1.24 4.02 -0.36 -4.70 117.16 115.00 1x55 n TYR 385 Ca 0.02 -0.55 0.03 0.00 -0.01 0.00 0.00 57.90 57.39 1x55 n TYR 385 Cb 0.22 -0.08 0.17 0.00 -0.02 0.00 0.00 39.34 39.63 1x55 n TYR 385 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1x55 h GLU 386 N 0.00 0.75 -0.66 -0.72 4.81 -0.95 0.43 114.58 118.24 1x55 h GLU 386 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1x55 h GLU 386 Cb 0.90 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1x55 h GLU 386 CO 0.00 0.49 0.30 0.11 -0.73 0.00 0.00 179.01 179.19 1x55 h TRP 387 N 0.77 0.94 -0.31 0.92 5.08 -1.87 0.30 115.95 121.78 1x55 h TRP 387 Ca 0.40 -0.04 -0.17 0.00 1.08 0.00 0.00 58.89 60.16 1x55 h TRP 387 Cb 0.37 -0.29 -0.00 0.00 -3.00 0.00 0.00 29.16 26.24 1x55 h TRP 387 CO -0.07 0.69 -0.48 -0.92 -1.28 0.00 0.00 178.44 176.39 1x55 h TYR 388 N 0.94 1.01 -0.50 0.12 3.20 -1.54 -2.72 116.97 117.48 1x55 h TYR 388 Ca 0.23 -0.33 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 1x55 h TYR 388 Cb 0.12 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1x55 h TYR 388 CO 0.01 1.14 0.13 -0.07 -1.64 0.00 0.00 178.16 177.73 1x55 h LEU 389 N 0.65 0.69 -1.84 2.82 3.38 -0.56 -2.50 115.31 117.96 1x55 h LEU 389 Ca 0.03 -0.11 0.22 0.00 0.09 0.00 0.00 57.88 58.11 1x55 h LEU 389 Cb 1.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1x55 h LEU 389 CO 0.11 0.68 0.58 0.44 0.09 0.00 0.00 178.44 180.34 1x55 h ASP 390 N 0.73 0.14 0.56 -0.43 3.32 -0.61 0.11 116.42 120.23 1x55 h ASP 390 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1x55 h ASP 390 Cb 0.26 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1x55 h ASP 390 CO -0.00 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.75 1x55 n LEU 391 N -4.37 0.62 -1.09 1.55 4.77 -0.94 -1.01 117.00 116.54 1x55 n LEU 391 Ca 0.17 0.68 0.11 0.00 -0.03 0.00 0.00 56.01 56.94 1x55 n LEU 391 Cb 0.81 -0.63 0.20 0.00 -2.33 0.00 0.00 43.42 41.47 1x55 n LEU 391 CO 0.36 -0.64 0.68 0.54 -1.33 0.00 0.00 177.39 177.00 1x55 n ARG 392 N -2.22 2.42 -0.04 3.23 3.00 0.37 -3.89 116.66 119.53 1x55 n ARG 392 Ca 0.01 -2.22 -0.05 0.00 -0.01 0.00 0.00 57.85 55.59 1x55 n ARG 392 Cb 0.18 -1.48 -0.06 0.00 0.00 0.00 0.00 32.46 31.10 1x55 n ARG 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1x55 n ARG 393 N 1.39 1.97 -2.80 5.56 1.74 -0.18 -4.35 116.66 119.99 1x55 n ARG 393 Ca 0.18 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.95 1x55 n ARG 393 Cb 0.58 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 30.79 1x55 n ARG 393 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1x55 n TYR 394 N -2.45 3.51 -0.85 -1.55 4.01 -0.82 -4.75 117.16 114.25 1x55 n TYR 394 Ca -0.15 -3.38 0.00 0.00 -0.16 0.00 0.00 57.90 54.21 1x55 n TYR 394 Cb 0.75 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1x55 n TYR 394 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x55 n GLY 395 N -0.18 0.63 3.61 2.72 0.00 -1.26 -5.00 105.19 105.71 1x55 n GLY 395 Ca 0.38 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1x55 n GLY 395 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x55 n SER 396 N -0.09 1.46 -4.08 1.61 2.88 -1.25 -5.02 113.62 109.12 1x55 n SER 396 Ca 0.00 1.13 -0.12 0.00 -1.33 0.00 0.00 58.87 58.55 1x55 n SER 396 Cb 0.20 -1.34 -0.11 0.00 -0.75 0.00 0.00 64.21 62.21 1x55 n SER 396 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1x55 s VAL 397 N -1.15 0.53 0.43 2.46 -7.23 -1.26 -5.10 120.40 109.08 1x55 s VAL 397 Ca 0.60 -1.27 -0.26 0.00 -1.81 0.00 0.00 61.98 59.23 1x55 s VAL 397 Cb -0.63 -0.84 -0.09 0.00 0.56 0.00 0.00 36.38 35.38 1x55 s VAL 397 CO 0.59 -0.51 1.43 -2.16 -0.31 0.00 0.00 175.10 174.14 1x55 s PRO 398 N -2.12 3.83 0.12 4.82 0.04 -1.26 -4.84 135.00 135.59 1x55 s PRO 398 Ca -0.05 2.44 -0.24 0.00 0.04 0.00 0.00 61.00 63.18 1x55 s PRO 398 Cb -0.06 -2.75 0.08 0.00 0.04 0.00 0.00 34.50 31.80 1x55 s PRO 398 CO -0.01 -0.71 0.67 -3.38 0.04 0.00 0.00 177.00 173.61 1x55 s HIS 399 N -1.18 -0.49 0.11 0.56 -3.43 -1.24 -0.18 115.29 109.42 1x55 s HIS 399 Ca 0.58 0.30 -0.13 0.00 -0.80 0.00 0.00 55.06 55.01 1x55 s HIS 399 Cb -0.44 0.56 0.02 0.00 -1.43 0.00 0.00 32.58 31.28 1x55 s HIS 399 CO 0.58 -0.78 0.31 -1.12 -2.00 0.00 0.00 174.74 171.72 1x55 s SER 400 N -2.69 -0.08 0.11 7.38 0.01 -1.08 -0.75 113.70 116.59 1x55 s SER 400 Ca 0.02 -0.45 -0.16 0.00 1.31 0.00 0.00 55.95 56.67 1x55 s SER 400 Cb -0.01 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.69 1x55 s SER 400 CO -0.12 -0.79 0.75 0.61 0.41 0.00 0.00 173.24 174.10 1x55 n GLY 401 N -0.12 0.75 3.63 3.44 0.00 -0.69 -0.98 105.19 111.22 1x55 n GLY 401 Ca -0.16 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 1x55 n GLY 401 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x55 s PHE 402 N -3.14 -0.32 -0.06 1.61 -0.12 -0.47 -1.40 117.98 114.08 1x55 s PHE 402 Ca 0.17 -0.02 0.03 0.00 -0.05 0.00 0.00 56.93 57.06 1x55 s PHE 402 Cb -0.02 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1x55 s PHE 402 CO 0.03 -1.03 -0.13 0.20 -0.05 0.00 0.00 175.22 174.24 1x55 s GLY 403 N -2.84 0.82 -0.18 1.99 0.00 -0.33 -1.44 107.32 105.33 1x55 s GLY 403 Ca 0.07 -0.48 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 1x55 s GLY 403 CO -0.03 -0.00 0.05 -2.27 0.00 0.00 0.00 173.10 170.85 1x55 s LEU 404 N 0.49 3.78 -0.44 0.66 2.96 0.35 -1.88 118.68 124.59 1x55 s LEU 404 Ca -0.12 0.07 -0.24 0.00 -0.22 0.00 0.00 54.13 53.62 1x55 s LEU 404 Cb -0.14 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1x55 s LEU 404 CO 0.03 0.18 0.82 -0.83 -1.32 0.00 0.00 176.35 175.23 1x55 s GLY 405 N 0.34 1.57 0.13 7.98 0.00 -0.50 -1.14 107.32 115.71 1x55 s GLY 405 Ca 0.03 -0.89 -0.18 0.00 0.00 0.00 0.00 44.72 43.67 1x55 s GLY 405 CO 0.00 1.85 1.77 -2.08 0.00 0.00 0.00 173.10 174.64 1x55 h VAL 406 N 5.97 1.09 -0.84 1.40 2.07 -1.54 -1.24 116.25 123.17 1x55 h VAL 406 Ca -0.25 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1x55 h VAL 406 Cb 1.08 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1x55 h VAL 406 CO 0.97 0.09 0.55 -0.33 0.02 0.00 0.00 177.57 178.88 1x55 h GLU 407 N 0.39 1.10 -0.70 1.57 3.07 -1.88 0.43 114.58 118.56 1x55 h GLU 407 Ca 0.11 -0.07 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1x55 h GLU 407 Cb -0.01 -0.25 -0.04 0.00 -0.84 0.00 0.00 28.75 27.61 1x55 h GLU 407 CO -0.02 0.73 0.45 0.00 -1.40 0.00 0.00 179.01 178.77 1x55 h ARG 408 N 1.13 0.88 -0.15 2.33 3.08 -1.80 0.41 114.38 120.26 1x55 h ARG 408 Ca 0.31 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 1x55 h ARG 408 Cb -0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.72 1x55 h ARG 408 CO -0.07 0.58 -0.00 1.25 -1.07 0.00 0.00 179.97 180.66 1x55 h LEU 409 N 0.91 0.27 -0.76 3.04 5.85 -0.55 -2.35 115.31 121.71 1x55 h LEU 409 Ca 0.27 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1x55 h LEU 409 Cb -0.05 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1x55 h LEU 409 CO -0.08 0.52 0.43 0.58 -0.34 0.00 0.00 178.44 179.55 1x55 h VAL 410 N 0.01 0.95 -0.81 1.05 2.07 -0.71 -0.53 116.25 118.27 1x55 h VAL 410 Ca 0.04 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1x55 h VAL 410 Cb 0.39 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1x55 h VAL 410 CO 0.01 0.14 0.49 0.00 0.02 0.00 0.00 177.57 178.23 1x55 h ALA 411 N 1.40 1.04 0.07 1.67 0.00 -0.76 -0.96 119.26 121.73 1x55 h ALA 411 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1x55 h ALA 411 Cb 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1x55 h ALA 411 CO -0.21 0.50 -0.04 2.35 0.00 0.00 0.00 179.25 181.85 1x55 h TRP 412 N 1.11 -0.09 -0.97 0.00 7.01 -0.97 0.22 115.95 122.26 1x55 h TRP 412 Ca 0.29 -0.00 0.20 0.00 2.11 0.00 0.00 58.89 61.49 1x55 h TRP 412 Cb -0.05 0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 26.95 1x55 h TRP 412 CO -0.01 0.28 0.61 0.28 -2.79 0.00 0.00 178.44 176.82 1x55 h VAL 413 N -0.48 0.70 -0.42 2.65 2.07 -0.87 -2.23 116.25 117.68 1x55 h VAL 413 Ca -0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1x55 h VAL 413 Cb 0.41 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1x55 h VAL 413 CO 0.02 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.90 1x55 n LEU 414 N -4.65 3.57 -4.17 2.57 4.77 -0.38 -4.92 117.00 113.78 1x55 n LEU 414 Ca 0.22 -2.31 -0.30 0.00 -0.03 0.00 0.00 56.01 53.59 1x55 n LEU 414 Cb 0.62 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1x55 n LEU 414 CO 0.25 0.76 -0.37 0.29 -1.33 0.00 0.00 177.39 176.99 1x55 n LYS 415 N 0.50 -1.69 -2.59 3.23 5.02 -0.42 -4.72 118.16 117.49 1x55 n LYS 415 Ca 0.17 0.20 -0.36 0.00 -2.02 0.00 0.00 58.31 56.31 1x55 n LYS 415 Cb 0.63 -3.85 -0.04 0.00 -0.02 0.00 0.00 35.03 31.75 1x55 n LYS 415 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x55 s LEU 416 N -7.24 4.11 0.00 -0.35 1.43 -0.07 -4.95 118.68 111.61 1x55 s LEU 416 Ca 0.04 1.98 0.28 0.00 -1.03 0.00 0.00 54.13 55.40 1x55 s LEU 416 Cb -0.02 -4.24 1.12 0.00 0.03 0.00 0.00 46.19 43.08 1x55 s LEU 416 CO 0.96 -0.48 1.84 -0.90 0.23 0.00 0.00 176.35 178.00 1x55 n ASP 417 N -0.17 0.09 -3.65 2.29 3.85 -1.26 -4.81 116.55 112.90 1x55 n ASP 417 Ca 0.05 0.34 -0.14 0.00 -0.71 0.00 0.00 54.79 54.34 1x55 n ASP 417 Cb 0.50 -0.36 -0.08 0.00 -1.35 0.00 0.00 41.12 39.84 1x55 n ASP 417 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 1x55 s HIS 418 N -2.98 -0.74 0.54 2.11 5.04 -1.26 -4.90 115.29 113.09 1x55 s HIS 418 Ca 0.14 1.80 0.22 0.00 -1.54 0.00 0.00 55.06 55.68 1x55 s HIS 418 Cb 0.19 0.27 1.43 0.00 0.04 0.00 0.00 32.58 34.50 1x55 s HIS 418 CO 0.56 -0.36 2.12 0.97 -2.34 0.00 0.00 174.74 175.68 1x55 h ILE 419 N 4.13 0.79 -0.51 0.89 2.10 -1.56 -2.88 117.51 120.47 1x55 h ILE 419 Ca -0.29 0.00 0.11 0.00 1.08 0.00 0.00 64.86 65.76 1x55 h ILE 419 Cb 1.17 0.91 -0.03 0.00 -1.09 0.00 0.00 36.82 37.78 1x55 h ILE 419 CO 0.09 0.00 0.35 0.08 -1.08 0.00 0.00 178.15 177.59 1x55 h ARG 420 N 0.00 0.20 0.00 2.19 0.11 -1.90 -0.88 114.38 114.11 1x55 h ARG 420 Ca 0.08 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1x55 h ARG 420 Cb 0.33 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1x55 h ARG 420 CO -0.00 0.13 0.00 0.91 0.10 0.00 0.00 179.97 181.11 1x55 n TRP 421 N -4.44 0.49 1.30 4.08 7.02 -1.09 -2.11 117.44 122.69 1x55 n TRP 421 Ca 0.09 0.18 0.13 0.00 -1.02 0.00 0.00 57.50 56.88 1x55 n TRP 421 Cb 0.44 -0.79 0.38 0.00 -2.42 0.00 0.00 31.31 28.91 1x55 n TRP 421 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1x55 n ALA 422 N -1.66 2.86 -2.79 6.99 0.00 -0.34 -4.85 120.51 120.71 1x55 n ALA 422 Ca 0.03 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 1x55 n ALA 422 Cb 0.24 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 1x55 n ALA 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x55 s ALA 423 N -2.25 3.62 0.09 0.00 0.00 -0.90 -4.82 121.76 117.50 1x55 s ALA 423 Ca 0.30 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 1x55 s ALA 423 Cb 0.20 -1.70 -0.15 0.00 0.00 0.00 0.00 23.12 21.47 1x55 s ALA 423 CO 0.43 0.64 1.71 1.25 0.00 0.00 0.00 175.76 179.78 1x55 h LEU 424 N 4.70 -0.22 -6.93 0.00 5.85 -1.89 -3.34 115.31 113.48 1x55 h LEU 424 Ca -0.52 0.01 -0.61 0.00 0.84 0.00 0.00 57.88 57.61 1x55 h LEU 424 Cb 1.20 0.07 -0.40 0.00 0.37 0.00 0.00 40.66 41.90 1x55 h LEU 424 CO 0.59 -0.15 -0.75 -0.36 -0.34 0.00 0.00 178.44 177.43 1x55 s PHE 425 N -6.15 2.00 0.57 1.25 0.08 -1.26 -4.94 117.98 109.52 1x55 s PHE 425 Ca -0.14 -2.46 -0.20 0.00 0.12 0.00 0.00 56.93 54.24 1x55 s PHE 425 Cb 0.06 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1x55 s PHE 425 CO 0.65 -0.77 1.23 -0.35 -0.10 0.00 0.00 175.22 175.89 1x55 n PRO 426 N 3.38 1.36 -4.32 0.24 -0.04 -1.26 -5.02 135.00 129.34 1x55 n PRO 426 Ca 0.11 0.51 -0.32 0.00 -0.04 0.00 0.00 63.50 63.77 1x55 n PRO 426 Cb 0.36 -2.44 -0.16 0.00 -0.04 0.00 0.00 33.50 31.22 1x55 n PRO 426 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x55 s ARG 427 N -2.91 2.78 0.23 0.54 1.81 -1.26 -4.75 118.95 115.40 1x55 s ARG 427 Ca 0.75 -0.76 0.01 0.00 -1.72 0.00 0.00 55.73 54.01 1x55 s ARG 427 Cb -0.42 -2.36 -0.05 0.00 -0.45 0.00 0.00 34.95 31.67 1x55 s ARG 427 CO 0.47 -0.13 0.07 0.95 -0.68 0.00 0.00 175.30 175.97 1x55 s THR 428 N 1.13 0.59 0.43 0.02 -4.23 -1.09 -1.20 115.64 111.29 1x55 s THR 428 Ca -0.00 -1.99 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 1x55 s THR 428 Cb -0.14 -2.47 0.40 0.00 1.34 0.00 0.00 72.50 71.63 1x55 s THR 428 CO -0.08 -0.15 1.85 -0.65 -0.54 0.00 0.00 174.62 175.05 1x55 h PRO 429 N 2.49 0.34 -0.54 3.99 0.11 -1.92 -0.75 132.00 135.72 1x55 h PRO 429 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1x55 h PRO 429 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1x55 h PRO 429 CO 0.61 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 1x55 n ALA 430 N -2.54 2.36 -3.83 -0.75 0.00 -1.26 -4.90 120.51 109.58 1x55 n ALA 430 Ca 0.20 -1.16 -0.28 0.00 0.00 0.00 0.00 53.44 52.20 1x55 n ALA 430 Cb 0.76 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 19.25 1x55 n ALA 430 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x55 s ARG 431 N -1.13 1.11 0.00 0.00 1.81 -0.29 -4.92 118.95 115.53 1x55 s ARG 431 Ca 0.40 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 1x55 s ARG 431 Cb 0.22 -2.15 0.00 0.00 -0.45 0.00 0.00 34.95 32.57 1x55 s ARG 431 CO 0.29 -0.56 0.16 -0.11 -0.68 0.00 0.00 175.30 174.40 1x55 n LEU 432 N 4.91 0.31 -3.82 2.53 7.94 -1.26 -2.66 117.00 124.95 1x55 n LEU 432 Ca -0.10 -0.49 -0.12 0.00 -1.11 0.00 0.00 56.01 54.19 1x55 n LEU 432 Cb 0.47 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.29 1x55 n LEU 432 CO 0.15 0.08 -0.19 -0.47 -1.11 0.00 0.00 177.39 175.85 1x55 s TYR 433 N -0.35 -0.18 -2.00 1.96 5.04 -1.26 -5.09 117.35 115.48 1x55 s TYR 433 Ca 0.00 0.43 0.18 0.00 -2.44 0.00 0.00 57.07 55.24 1x55 s TYR 433 Cb 0.00 0.06 1.05 0.00 0.35 0.00 0.00 41.96 43.42 1x55 s TYR 433 CO 0.00 -0.09 1.45 -2.30 -1.34 0.00 0.00 175.55 173.28