#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7m s THR 2 N 0.00 2.59 0.24 2.03 -4.23 -1.26 -3.62 115.64 111.39 2a7m s THR 2 Ca 0.00 -2.30 -0.30 0.00 -1.18 0.00 0.00 61.69 57.91 2a7m s THR 2 Cb 0.00 -2.43 -0.09 0.00 1.34 0.00 0.00 72.50 71.32 2a7m s THR 2 CO 0.00 -0.37 1.23 -0.69 -0.54 0.00 0.00 174.62 174.25 2a7m s VAL 3 N -2.50 3.27 0.01 2.29 1.01 0.59 -4.72 120.40 120.35 2a7m s VAL 3 Ca 0.31 1.15 -0.22 0.00 0.00 0.00 0.00 61.98 63.22 2a7m s VAL 3 Cb -0.04 -3.73 -0.18 0.00 0.00 0.00 0.00 36.38 32.43 2a7m s VAL 3 CO 0.16 0.22 1.25 0.11 0.00 0.00 0.00 175.10 176.85 2a7m h LYS 4 N 4.54 0.28 -3.26 2.72 1.57 -1.13 0.28 116.57 121.56 2a7m h LYS 4 Ca -0.46 -0.18 -0.20 0.00 -1.87 0.00 0.00 60.65 57.94 2a7m h LYS 4 Cb 1.22 0.02 -0.28 0.00 0.08 0.00 0.00 32.23 33.27 2a7m h LYS 4 CO 0.71 0.77 -0.52 0.15 -0.57 0.00 0.00 179.45 179.99 2a7m s LYS 5 N -3.98 0.19 -0.23 3.15 1.02 -1.13 -4.46 119.74 114.30 2a7m s LYS 5 Ca -0.15 0.30 -0.01 0.00 0.02 0.00 0.00 55.97 56.14 2a7m s LYS 5 Cb 0.04 0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.40 2a7m s LYS 5 CO 0.75 -0.07 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.84 2a7m s LEU 6 N 0.42 2.93 -0.14 3.17 0.20 -0.68 -0.83 118.68 123.75 2a7m s LEU 6 Ca -0.03 -0.81 -0.05 0.00 0.69 0.00 0.00 54.13 53.93 2a7m s LEU 6 Cb -0.04 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 2a7m s LEU 6 CO -0.02 -0.09 0.03 -0.31 -0.29 0.00 0.00 176.35 175.67 2a7m s TYR 7 N 1.31 3.21 -0.30 5.38 1.51 0.17 -1.12 117.35 127.51 2a7m s TYR 7 Ca 0.01 0.07 -0.15 0.00 -1.01 0.00 0.00 57.07 55.99 2a7m s TYR 7 Cb -0.16 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2a7m s TYR 7 CO -0.06 0.26 0.37 -0.06 -1.11 0.00 0.00 175.55 174.95 2a7m s PHE 8 N -0.12 3.23 -0.28 2.71 0.40 -1.26 -1.41 117.98 121.25 2a7m s PHE 8 Ca 0.06 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 2a7m s PHE 8 Cb -0.12 -2.63 0.06 0.00 0.51 0.00 0.00 43.02 40.84 2a7m s PHE 8 CO 0.02 -0.32 -0.07 0.42 0.70 0.00 0.00 175.22 175.97 2a7m s ILE 9 N 2.07 2.34 0.20 0.64 1.01 0.02 -1.21 121.20 126.26 2a7m s ILE 9 Ca 0.14 -1.69 -0.33 0.00 0.00 0.00 0.00 60.65 58.78 2a7m s ILE 9 Cb -0.16 -2.42 -0.14 0.00 0.01 0.00 0.00 42.46 39.76 2a7m s ILE 9 CO 0.11 -0.12 1.51 -2.65 0.00 0.00 0.00 174.94 173.79 2a7m n PRO 10 N 4.44 2.12 -2.42 2.79 -0.02 -1.26 -1.42 135.00 139.23 2a7m n PRO 10 Ca -0.12 0.76 -0.18 0.00 -2.02 0.00 0.00 63.50 61.94 2a7m n PRO 10 Cb 0.42 -2.49 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 2a7m n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a7m n ALA 11 N 2.78 4.36 0.00 3.55 0.00 0.36 -4.86 120.51 126.70 2a7m n ALA 11 Ca 0.15 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.90 2a7m n ALA 11 Cb 0.30 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2a7m n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a7m n GLY 12 N -0.50 -1.88 3.30 0.00 0.00 -1.26 -4.59 105.19 100.26 2a7m n GLY 12 Ca 0.30 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 2a7m n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a7m s ARG 13 N 0.00 1.36 -0.18 1.61 0.52 -0.35 -1.79 118.95 120.12 2a7m s ARG 13 Ca 0.00 -1.60 -0.10 0.00 -0.52 0.00 0.00 55.73 53.52 2a7m s ARG 13 Cb 0.00 0.32 0.06 0.00 0.52 0.00 0.00 34.95 35.85 2a7m s ARG 13 CO 0.00 -0.49 0.43 0.00 0.02 0.00 0.00 175.30 175.26 2a7m s MET 15 N 1.41 4.53 0.10 0.00 1.00 0.83 -1.11 119.30 126.07 2a7m s MET 15 Ca -0.10 1.30 0.05 0.00 0.00 0.00 0.00 55.69 56.94 2a7m s MET 15 Cb -0.08 -3.45 -0.04 0.00 0.00 0.00 0.00 34.83 31.26 2a7m s MET 15 CO -0.13 -0.02 -0.12 -0.51 0.00 0.00 0.00 175.02 174.24 2a7m s LEU 16 N 0.94 2.38 0.49 -0.03 1.43 -0.80 -1.31 118.68 121.78 2a7m s LEU 16 Ca 0.49 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 2a7m s LEU 16 Cb -0.20 -0.45 -0.07 0.00 0.03 0.00 0.00 46.19 45.51 2a7m s LEU 16 CO 0.26 -0.18 1.37 -0.62 0.23 0.00 0.00 176.35 177.41 2a7m s ASP 17 N -2.31 5.65 0.40 2.29 2.15 -1.23 0.21 116.67 123.83 2a7m s ASP 17 Ca 0.05 2.80 0.27 0.00 0.43 0.00 0.00 52.55 56.10 2a7m s ASP 17 Cb -0.05 -2.64 1.43 0.00 -0.30 0.00 0.00 42.92 41.36 2a7m s ASP 17 CO 0.02 -1.32 1.83 1.12 -0.17 0.00 0.00 175.17 176.65 2a7m h HIS 18 N 1.95 0.00 0.00 -5.34 2.07 -0.83 0.52 115.15 113.52 2a7m h HIS 18 Ca -0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 2a7m h HIS 18 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 2a7m h HIS 18 CO 0.49 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 174.22 2a7m n SER 19 N -2.46 0.15 0.16 3.10 3.41 -1.26 -2.65 113.62 114.06 2a7m n SER 19 Ca -0.01 0.54 0.01 0.00 -0.26 0.00 0.00 58.87 59.15 2a7m n SER 19 Cb 0.07 -0.57 0.24 0.00 -0.26 0.00 0.00 64.21 63.69 2a7m n SER 19 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2a7m h SER 20 N 0.00 0.00 0.12 4.04 4.64 -1.24 -2.89 113.55 118.22 2a7m h SER 20 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a7m h SER 20 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2a7m h SER 20 CO 0.00 0.52 -1.26 1.33 -0.87 0.00 0.00 176.83 176.55 2a7m n VAL 21 N -3.75 0.04 -3.27 0.95 0.24 -1.09 -1.29 118.33 110.17 2a7m n VAL 21 Ca -0.01 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 62.04 2a7m n VAL 21 Cb 0.56 0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 33.40 2a7m n VAL 21 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2a7m s ASN 22 N -3.64 -0.20 0.38 -1.34 3.84 -1.16 -4.68 114.94 108.15 2a7m s ASN 22 Ca 0.03 -0.48 0.23 0.00 0.21 0.00 0.00 52.86 52.85 2a7m s ASN 22 Cb 0.15 1.35 1.25 0.00 -0.55 0.00 0.00 41.25 43.45 2a7m s ASN 22 CO 0.86 -0.31 1.68 0.28 -2.79 0.00 0.00 177.10 176.83 2a7m h SER 23 N 7.83 0.00 1.41 -4.21 0.02 -1.09 0.25 113.55 117.75 2a7m h SER 23 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2a7m h SER 23 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2a7m h SER 23 CO 0.21 0.00 -0.25 0.00 -1.14 0.00 0.00 176.83 175.65 2a7m h ALA 24 N 1.79 0.85 -2.64 3.77 0.00 -1.84 -3.47 119.26 117.72 2a7m h ALA 24 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2a7m h ALA 24 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.01 2a7m h ALA 24 CO 0.00 0.00 0.47 -0.51 0.00 0.00 0.00 179.25 179.21 2a7m s LEU 25 N -4.94 4.01 -0.20 0.00 1.43 0.08 -4.99 118.68 114.07 2a7m s LEU 25 Ca 0.08 2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 2a7m s LEU 25 Cb 0.11 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2a7m s LEU 25 CO 0.66 -0.86 1.02 -0.89 0.23 0.00 0.00 176.35 176.51 2a7m s THR 26 N -1.59 4.72 0.36 5.49 2.01 -1.26 -4.64 115.64 120.72 2a7m s THR 26 Ca 0.63 2.00 -0.27 0.00 0.31 0.00 0.00 61.69 64.36 2a7m s THR 26 Cb -0.27 -4.30 -0.12 0.00 0.01 0.00 0.00 72.50 67.83 2a7m s THR 26 CO 0.32 -0.12 1.23 -2.65 -0.69 0.00 0.00 174.62 172.71 2a7m n PRO 27 N 5.95 1.93 0.00 4.92 -0.02 -1.26 -4.59 135.00 141.94 2a7m n PRO 27 Ca 0.11 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2a7m n PRO 27 Cb 0.47 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2a7m n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a7m n GLY 28 N 0.86 -0.40 2.81 -1.23 0.00 -1.26 -5.10 105.19 100.87 2a7m n GLY 28 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2a7m n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a7m s LYS 29 N 0.00 0.81 0.36 1.61 -0.14 -1.26 -5.06 119.74 116.05 2a7m s LYS 29 Ca 0.00 0.01 -0.19 0.00 -1.36 0.00 0.00 55.97 54.43 2a7m s LYS 29 Cb 0.00 -1.08 -0.10 0.00 -1.68 0.00 0.00 37.83 34.97 2a7m s LYS 29 CO 0.00 -0.27 0.85 -0.51 -0.76 0.00 0.00 175.35 174.66 2a7m s LEU 30 N 1.80 4.07 -0.11 3.17 2.01 -1.26 -0.11 118.68 128.25 2a7m s LEU 30 Ca 0.03 1.53 0.02 0.00 0.01 0.00 0.00 54.13 55.73 2a7m s LEU 30 Cb -0.13 -4.22 -0.00 0.00 0.01 0.00 0.00 46.19 41.85 2a7m s LEU 30 CO -0.05 -0.23 -0.20 -0.76 1.01 0.00 0.00 176.35 176.12 2a7m s LEU 31 N -2.85 2.31 -0.83 1.79 1.43 0.13 -4.81 118.68 115.85 2a7m s LEU 31 Ca 0.56 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 2a7m s LEU 31 Cb -0.11 -1.48 0.08 0.00 0.03 0.00 0.00 46.19 44.70 2a7m s LEU 31 CO 0.17 0.16 1.17 0.21 0.23 0.00 0.00 176.35 178.29 2a7m s ASN 32 N 0.36 6.37 0.07 2.29 3.04 -1.26 -1.90 114.94 123.91 2a7m s ASN 32 Ca -0.16 -1.30 -0.09 0.00 0.04 0.00 0.00 52.86 51.35 2a7m s ASN 32 Cb -0.17 -2.47 -0.06 0.00 -1.54 0.00 0.00 41.25 37.01 2a7m s ASN 32 CO 0.08 -1.42 0.39 -0.76 -3.04 0.00 0.00 177.10 172.35 2a7m s LEU 33 N 4.15 4.35 0.32 3.21 1.43 -0.26 -4.89 118.68 126.99 2a7m s LEU 33 Ca 0.32 0.76 -0.28 0.00 -1.03 0.00 0.00 54.13 53.90 2a7m s LEU 33 Cb -0.08 -2.96 -0.09 0.00 0.03 0.00 0.00 46.19 43.08 2a7m s LEU 33 CO 0.01 0.18 1.16 -2.16 0.23 0.00 0.00 176.35 175.77 2a7m s PRO 34 N -1.93 4.43 -0.15 1.29 0.04 -1.26 -0.86 135.00 136.57 2a7m s PRO 34 Ca 0.33 1.90 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 2a7m s PRO 34 Cb -0.14 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2a7m s PRO 34 CO 0.18 -0.01 0.00 0.08 0.04 0.00 0.00 177.00 177.29 2a7m s VAL 35 N -1.23 4.26 0.09 -0.36 1.01 -0.74 -4.71 120.40 118.71 2a7m s VAL 35 Ca 0.49 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2a7m s VAL 35 Cb -0.33 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2a7m s VAL 35 CO 0.43 0.51 -0.21 0.26 0.00 0.00 0.00 175.10 176.09 2a7m s TRP 36 N 0.07 2.47 0.29 5.22 0.52 -1.26 -0.49 118.94 125.77 2a7m s TRP 36 Ca 0.02 -0.30 0.07 0.00 0.02 0.00 0.00 56.10 55.90 2a7m s TRP 36 Cb -0.13 -1.37 -0.06 0.00 -1.15 0.00 0.00 33.47 30.76 2a7m s TRP 36 CO 0.02 0.30 -0.06 0.00 0.02 0.00 0.00 176.95 177.23 2a7m s TYR 38 N -2.97 1.00 -0.13 0.00 2.02 -0.56 -0.80 117.35 115.91 2a7m s TYR 38 Ca 0.30 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 2a7m s TYR 38 Cb 0.04 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.98 2a7m s TYR 38 CO 0.13 -0.00 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.72 2a7m s LEU 39 N -0.65 2.14 -0.23 -1.29 1.98 -0.50 -0.38 118.68 119.75 2a7m s LEU 39 Ca 0.02 -0.59 -0.05 0.00 -2.89 0.00 0.00 54.13 50.63 2a7m s LEU 39 Cb -0.06 -1.45 -0.01 0.00 0.66 0.00 0.00 46.19 45.33 2a7m s LEU 39 CO 0.00 0.09 -0.01 -0.76 -1.89 0.00 0.00 176.35 173.79 2a7m s LEU 40 N 0.73 3.05 -0.33 -0.68 1.02 0.33 -0.66 118.68 122.14 2a7m s LEU 40 Ca -0.09 -0.34 -0.18 0.00 0.02 0.00 0.00 54.13 53.54 2a7m s LEU 40 Cb -0.16 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.25 2a7m s LEU 40 CO -0.00 -0.02 0.54 -1.61 0.02 0.00 0.00 176.35 175.27 2a7m s GLU 41 N 1.51 3.74 0.29 1.70 2.02 -0.01 -0.83 118.70 127.13 2a7m s GLU 41 Ca 0.06 -0.01 0.08 0.00 0.02 0.00 0.00 54.97 55.12 2a7m s GLU 41 Cb -0.14 -3.77 -0.06 0.00 0.10 0.00 0.00 34.13 30.26 2a7m s GLU 41 CO -0.01 -0.59 -0.08 0.95 0.02 0.00 0.00 175.26 175.55 2a7m s THR 42 N 2.43 1.85 0.46 3.63 -4.23 -1.11 -0.52 115.64 118.15 2a7m s THR 42 Ca 0.20 -2.17 0.18 0.00 -1.18 0.00 0.00 61.69 58.73 2a7m s THR 42 Cb -0.15 -2.47 0.36 0.00 1.34 0.00 0.00 72.50 71.58 2a7m s THR 42 CO 0.13 -0.30 1.96 -0.08 -0.54 0.00 0.00 174.62 175.79 2a7m h GLU 43 N 2.23 0.27 0.00 3.99 4.81 -1.95 -2.10 114.58 121.83 2a7m h GLU 43 Ca -0.40 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2a7m h GLU 43 Cb 1.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2a7m h GLU 43 CO 0.67 0.18 -0.42 0.39 -0.73 0.00 0.00 179.01 179.10 2a7m n GLU 44 N -4.45 0.29 0.00 1.92 4.71 -1.26 -5.03 120.64 116.82 2a7m n GLU 44 Ca 0.12 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 2a7m n GLU 44 Cb 0.51 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 2a7m n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2a7m n GLY 45 N 1.33 2.33 3.76 0.62 0.00 -0.79 -4.93 105.19 107.51 2a7m n GLY 45 Ca 0.04 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 2a7m n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a7m s PRO 46 N -1.63 4.74 -0.07 1.61 0.04 -1.26 -2.75 135.00 135.69 2a7m s PRO 46 Ca 0.00 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2a7m s PRO 46 Cb 0.00 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2a7m s PRO 46 CO 0.00 0.44 -0.18 0.42 0.04 0.00 0.00 177.00 177.72 2a7m s ILE 47 N -1.34 1.52 -0.18 0.56 1.01 -0.01 -0.47 121.20 122.30 2a7m s ILE 47 Ca 0.44 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 2a7m s ILE 47 Cb -0.23 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2a7m s ILE 47 CO 0.29 0.44 -0.02 -0.22 0.00 0.00 0.00 174.94 175.43 2a7m s LEU 48 N 0.32 3.28 -0.35 2.97 2.96 -0.62 -0.51 118.68 126.72 2a7m s LEU 48 Ca -0.11 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.54 2a7m s LEU 48 Cb -0.15 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.75 2a7m s LEU 48 CO 0.04 0.13 0.19 -0.69 -1.32 0.00 0.00 176.35 174.70 2a7m s VAL 49 N 0.63 4.63 0.36 1.68 1.01 0.49 -0.61 120.40 128.59 2a7m s VAL 49 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2a7m s VAL 49 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2a7m s VAL 49 CO 0.02 -0.11 0.00 0.47 0.00 0.00 0.00 175.10 175.49 2a7m n ASP 50 N 5.00 -4.48 -0.44 3.32 8.00 0.14 -1.50 116.55 126.59 2a7m n ASP 50 Ca -0.13 0.86 0.03 0.00 0.71 0.00 0.00 54.79 56.26 2a7m n ASP 50 Cb 0.47 -2.80 0.04 0.00 -0.02 0.00 0.00 41.12 38.82 2a7m n ASP 50 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2a7m n THR 51 N -3.23 0.52 -4.38 -3.53 -2.24 -0.29 -4.66 114.28 96.46 2a7m n THR 51 Ca -0.05 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2a7m n THR 51 Cb 0.38 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2a7m n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a7m n GLY 52 N -0.36 -0.64 3.95 3.38 0.00 -1.26 -2.73 105.19 107.53 2a7m n GLY 52 Ca 0.05 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 2a7m n GLY 52 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a7m s MET 53 N 0.00 3.45 0.65 1.61 -1.94 -1.26 -0.63 119.30 121.19 2a7m s MET 53 Ca 0.00 -0.44 -0.14 0.00 -1.71 0.00 0.00 55.69 53.41 2a7m s MET 53 Cb 0.00 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 2a7m s MET 53 CO 0.00 0.19 1.07 -1.25 -0.01 0.00 0.00 175.02 175.02 2a7m s PRO 54 N -4.26 3.00 0.44 2.03 0.04 -1.25 -3.98 135.00 131.02 2a7m s PRO 54 Ca 0.39 1.15 0.26 0.00 0.04 0.00 0.00 61.00 62.85 2a7m s PRO 54 Cb -0.09 -1.99 1.31 0.00 0.04 0.00 0.00 34.50 33.76 2a7m s PRO 54 CO 0.35 -1.06 1.71 1.49 0.04 0.00 0.00 177.00 179.53 2a7m h GLU 55 N -0.15 0.20 0.00 4.56 4.22 -1.99 -0.37 114.58 121.05 2a7m h GLU 55 Ca -0.46 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 58.97 2a7m h GLU 55 Cb 1.22 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2a7m h GLU 55 CO 0.56 0.14 -0.01 0.66 -2.18 0.00 0.00 179.01 178.17 2a7m h SER 56 N 0.21 0.00 0.95 1.04 4.64 -1.96 -2.27 113.55 116.16 2a7m h SER 56 Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 2a7m h SER 56 Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 2a7m h SER 56 CO -0.29 0.01 -0.25 0.00 -0.87 0.00 0.00 176.83 175.43 2a7m n ALA 57 N -2.11 2.74 -1.82 5.18 0.00 -0.15 -4.67 120.51 119.69 2a7m n ALA 57 Ca -0.01 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 2a7m n ALA 57 Cb 0.19 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 2a7m n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a7m s VAL 58 N -3.05 3.01 -1.66 0.00 1.01 -0.86 -2.45 120.40 116.40 2a7m s VAL 58 Ca 0.11 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 2a7m s VAL 58 Cb 0.16 -3.19 0.14 0.00 0.00 0.00 0.00 36.38 33.49 2a7m s VAL 58 CO 0.62 -0.01 0.75 0.59 0.00 0.00 0.00 175.10 177.05 2a7m n ASN 59 N 6.43 -3.04 -3.02 3.32 3.02 0.21 -4.89 115.26 117.29 2a7m n ASN 59 Ca 0.18 -1.00 -0.17 0.00 -0.03 0.00 0.00 54.58 53.56 2a7m n ASN 59 Cb 0.40 -2.85 -0.01 0.00 -0.61 0.00 0.00 39.78 36.71 2a7m n ASN 59 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2a7m n ASN 60 N -2.71 -0.77 0.07 6.41 4.05 -1.02 -4.96 115.26 116.34 2a7m n ASN 60 Ca 0.03 -3.05 0.19 0.00 0.45 0.00 0.00 54.58 52.20 2a7m n ASN 60 Cb 0.52 0.31 0.72 0.00 1.23 0.00 0.00 39.78 42.56 2a7m n ASN 60 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2a7m h GLU 61 N 3.64 0.00 -0.87 1.20 3.07 -1.79 -1.88 114.58 117.94 2a7m h GLU 61 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 2a7m h GLU 61 Cb 0.97 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 2a7m h GLU 61 CO 0.39 0.00 0.14 0.41 -1.40 0.00 0.00 179.01 178.56 2a7m n GLY 62 N -1.57 2.71 0.36 -3.84 0.00 -1.26 -4.14 105.19 97.46 2a7m n GLY 62 Ca 0.07 -0.52 0.16 0.00 0.00 0.00 0.00 46.02 45.74 2a7m n GLY 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2a7m h LEU 63 N 1.64 0.67 -2.87 0.99 5.85 -1.66 -1.67 115.31 118.25 2a7m h LEU 63 Ca 0.14 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2a7m h LEU 63 Cb 1.57 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.59 2a7m h LEU 63 CO 0.39 0.18 0.00 0.49 -0.34 0.00 0.00 178.44 179.17 2a7m n PHE 64 N -4.76 1.33 -1.90 1.25 3.01 -1.26 -4.92 117.46 110.21 2a7m n PHE 64 Ca 0.25 -0.55 -0.41 0.00 1.01 0.00 0.00 57.45 57.75 2a7m n PHE 64 Cb 0.69 -0.20 -0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2a7m n PHE 64 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2a7m s ASN 65 N -0.89 6.37 0.00 4.37 0.01 -0.63 -2.57 114.94 121.61 2a7m s ASN 65 Ca 0.48 2.91 0.00 0.00 -0.71 0.00 0.00 52.86 55.54 2a7m s ASN 65 Cb 0.30 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 39.30 2a7m s ASN 65 CO 0.25 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.61 2a7m n GLY 66 N 0.57 1.66 3.93 0.66 0.00 -1.26 -4.99 105.19 105.76 2a7m n GLY 66 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 2a7m n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a7m s THR 67 N -3.23 2.43 -1.43 2.61 -4.23 -1.06 -4.99 115.64 105.73 2a7m s THR 67 Ca 0.00 -1.26 0.09 0.00 -1.18 0.00 0.00 61.69 59.34 2a7m s THR 67 Cb 0.00 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.31 2a7m s THR 67 CO 0.00 0.00 1.15 2.22 -0.54 0.00 0.00 174.62 177.45 2a7m n PHE 68 N -1.76 0.00 -1.23 3.99 -1.74 -1.26 -2.50 117.46 112.97 2a7m n PHE 68 Ca 0.05 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.03 2a7m n PHE 68 Cb 0.62 -0.28 0.12 0.00 1.52 0.00 0.00 39.48 41.46 2a7m n PHE 68 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2a7m n VAL 69 N -1.28 1.63 -1.62 1.97 3.14 -1.26 -5.04 118.33 115.86 2a7m n VAL 69 Ca 0.04 -1.99 -0.49 0.00 -2.96 0.00 0.00 64.34 58.95 2a7m n VAL 69 Cb 0.07 -0.13 -0.05 0.00 -1.06 0.00 0.00 33.84 32.67 2a7m n VAL 69 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2a7m n GLU 70 N -1.22 1.59 -0.25 1.45 2.13 -1.04 -1.66 120.64 121.64 2a7m n GLU 70 Ca 0.14 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2a7m n GLU 70 Cb 0.65 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 30.12 2a7m n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a7m n GLY 71 N 2.71 1.67 0.02 8.31 0.00 -1.26 -4.76 105.19 111.88 2a7m n GLY 71 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2a7m n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a7m n GLN 72 N -2.00 0.66 -3.72 1.61 6.02 -0.67 -4.85 117.38 114.44 2a7m n GLN 72 Ca 0.00 -0.16 -0.22 0.00 -0.01 0.00 0.00 57.00 56.60 2a7m n GLN 72 Cb 0.00 -1.54 -0.18 0.00 1.02 0.00 0.00 30.24 29.55 2a7m n GLN 72 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2a7m s ILE 73 N -3.41 0.16 -0.27 5.09 1.01 -1.17 -3.47 121.20 119.15 2a7m s ILE 73 Ca -0.08 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 2a7m s ILE 73 Cb 0.13 -0.43 0.08 0.00 0.01 0.00 0.00 42.46 42.25 2a7m s ILE 73 CO 0.90 0.15 0.04 -0.76 0.00 0.00 0.00 174.94 175.26 2a7m s LEU 74 N 2.05 2.33 0.33 2.97 1.02 -0.43 -4.53 118.68 122.42 2a7m s LEU 74 Ca 0.04 -1.38 -0.29 0.00 0.02 0.00 0.00 54.13 52.52 2a7m s LEU 74 Cb -0.13 -0.96 -0.10 0.00 0.02 0.00 0.00 46.19 45.02 2a7m s LEU 74 CO -0.05 -0.34 1.32 -2.16 0.02 0.00 0.00 176.35 175.13 2a7m s PRO 75 N 1.55 4.34 -0.68 1.29 0.04 -1.26 -0.12 135.00 140.16 2a7m s PRO 75 Ca 0.03 2.23 -0.00 0.00 0.04 0.00 0.00 61.00 63.30 2a7m s PRO 75 Cb -0.18 -3.07 0.17 0.00 0.04 0.00 0.00 34.50 31.47 2a7m s PRO 75 CO -0.15 -0.20 0.50 0.15 0.04 0.00 0.00 177.00 177.34 2a7m s LYS 76 N -1.80 2.63 -0.05 4.56 -0.14 0.52 -4.02 119.74 121.44 2a7m s LYS 76 Ca 0.49 -2.85 0.01 0.00 -1.36 0.00 0.00 55.97 52.27 2a7m s LYS 76 Cb -0.40 -3.68 0.02 0.00 -1.68 0.00 0.00 37.83 32.09 2a7m s LYS 76 CO 0.53 -1.20 -0.06 1.41 -0.76 0.00 0.00 175.35 175.28 2a7m s MET 77 N -0.61 0.95 0.45 1.68 1.75 -1.26 -1.21 119.30 121.04 2a7m s MET 77 Ca 0.21 -0.15 0.08 0.00 -1.25 0.00 0.00 55.69 54.57 2a7m s MET 77 Cb -0.16 -0.92 -0.00 0.00 2.84 0.00 0.00 34.83 36.59 2a7m s MET 77 CO -0.07 -0.07 0.43 0.95 -0.65 0.00 0.00 175.02 175.62 2a7m s THR 78 N 0.88 2.52 0.39 10.11 -4.23 -1.26 -0.62 115.64 123.42 2a7m s THR 78 Ca -0.12 -1.30 0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2a7m s THR 78 Cb -0.15 -2.82 0.37 0.00 1.34 0.00 0.00 72.50 71.24 2a7m s THR 78 CO 0.01 0.00 1.81 -0.08 -0.54 0.00 0.00 174.62 175.81 2a7m h GLU 79 N 0.88 0.47 0.00 3.99 4.57 -1.98 -1.20 114.58 121.31 2a7m h GLU 79 Ca -0.40 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2a7m h GLU 79 Cb 1.27 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2a7m h GLU 79 CO 0.55 0.31 -0.02 0.93 -1.18 0.00 0.00 179.01 179.60 2a7m h GLU 80 N 0.48 0.00 -0.01 1.92 5.08 -1.99 -2.79 114.58 117.27 2a7m h GLU 80 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2a7m h GLU 80 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2a7m h GLU 80 CO -0.26 0.02 -0.20 -0.25 -1.00 0.00 0.00 179.01 177.32 2a7m n ASP 81 N -3.21 1.51 -4.76 1.42 8.00 -0.45 -3.98 116.55 115.07 2a7m n ASP 81 Ca -0.02 -1.27 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 2a7m n ASP 81 Cb 0.16 0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 2a7m n ASP 81 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2a7m s ARG 82 N -2.31 4.14 0.44 -1.24 0.52 -1.05 -4.73 118.95 114.72 2a7m s ARG 82 Ca 0.28 2.54 0.10 0.00 -0.52 0.00 0.00 55.73 58.12 2a7m s ARG 82 Cb 0.20 -3.02 0.99 0.00 0.52 0.00 0.00 34.95 33.63 2a7m s ARG 82 CO 0.46 -0.57 2.08 0.97 0.02 0.00 0.00 175.30 178.26 2a7m h ILE 83 N 3.28 1.08 -0.20 1.52 6.09 -1.87 -0.96 117.51 126.45 2a7m h ILE 83 Ca -0.48 -0.18 -0.12 0.00 -1.37 0.00 0.00 64.86 62.71 2a7m h ILE 83 Cb 1.23 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.23 2a7m h ILE 83 CO 0.75 0.08 -0.39 0.58 -3.07 0.00 0.00 178.15 176.10 2a7m h VAL 84 N 0.35 1.30 -0.35 2.19 2.07 -1.93 -0.12 116.25 119.76 2a7m h VAL 84 Ca 0.09 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 2a7m h VAL 84 Cb -0.01 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2a7m h VAL 84 CO -0.02 0.47 -0.11 0.78 0.02 0.00 0.00 177.57 178.71 2a7m h ASN 85 N 0.37 0.69 -0.12 0.57 -0.26 -1.52 0.17 115.58 115.49 2a7m h ASN 85 Ca 0.04 -0.38 0.04 0.00 -0.56 0.00 0.00 56.30 55.44 2a7m h ASN 85 Cb 0.84 -0.19 -0.05 0.00 -1.06 0.00 0.00 38.32 37.86 2a7m h ASN 85 CO 0.07 0.91 -0.23 0.40 -1.06 0.00 0.00 177.43 177.53 2a7m h ILE 86 N 0.47 0.45 -0.70 2.81 1.08 -1.13 -1.05 117.51 119.44 2a7m h ILE 86 Ca 0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.53 2a7m h ILE 86 Cb 0.62 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 2a7m h ILE 86 CO 0.04 0.00 0.33 -0.07 -0.69 0.00 0.00 178.15 177.76 2a7m h LEU 87 N -0.29 0.92 -0.61 1.44 3.38 -0.87 -1.61 115.31 117.65 2a7m h LEU 87 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2a7m h LEU 87 Cb 0.44 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2a7m h LEU 87 CO -0.29 0.80 0.33 0.50 0.09 0.00 0.00 178.44 179.87 2a7m h LYS 88 N 0.97 0.86 -0.65 1.13 1.63 -0.41 0.34 116.57 120.44 2a7m h LYS 88 Ca 0.24 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.86 2a7m h LYS 88 Cb 0.13 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 2a7m h LYS 88 CO -0.03 0.67 0.14 0.00 -3.45 0.00 0.00 179.45 176.78 2a7m h ARG 89 N 0.83 1.04 -0.15 1.90 3.08 -0.93 -2.45 114.38 117.71 2a7m h ARG 89 Ca 0.21 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2a7m h ARG 89 Cb 0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2a7m h ARG 89 CO -0.03 0.93 -0.36 -0.24 -1.07 0.00 0.00 179.97 179.20 2a7m h VAL 90 N 0.99 1.29 0.00 2.04 3.04 -0.95 -3.47 116.25 119.19 2a7m h VAL 90 Ca 0.21 -1.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 2a7m h VAL 90 Cb 0.37 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2a7m h VAL 90 CO 0.00 0.43 0.00 0.61 -1.01 0.00 0.00 177.57 177.61 2a7m n GLY 91 N -0.26 1.99 3.19 3.17 0.00 0.61 -5.10 105.19 108.81 2a7m n GLY 91 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2a7m n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a7m s TYR 92 N -2.00 1.28 0.18 1.61 1.51 0.86 -4.99 117.35 115.80 2a7m s TYR 92 Ca 0.00 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.63 2a7m s TYR 92 Cb 0.00 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 2a7m s TYR 92 CO 0.00 0.08 0.11 -1.21 -1.11 0.00 0.00 175.55 173.43 2a7m s GLU 93 N -2.04 2.78 0.30 -0.62 2.02 -1.26 -2.61 118.70 117.27 2a7m s GLU 93 Ca 0.01 -0.96 0.05 0.00 0.02 0.00 0.00 54.97 54.09 2a7m s GLU 93 Cb -0.08 -2.56 0.77 0.00 0.10 0.00 0.00 34.13 32.36 2a7m s GLU 93 CO 0.02 0.46 1.67 -1.35 0.02 0.00 0.00 175.26 176.09 2a7m h PRO 94 N 2.32 0.31 0.00 0.39 0.11 -1.94 -0.33 132.00 132.86 2a7m h PRO 94 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2a7m h PRO 94 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2a7m h PRO 94 CO 0.62 0.21 0.00 -0.25 -0.21 0.00 0.00 178.00 178.36 2a7m n ASP 95 N -5.11 0.01 0.22 -2.05 8.00 -1.26 -2.41 116.55 113.95 2a7m n ASP 95 Ca 0.23 0.50 0.10 0.00 0.71 0.00 0.00 54.79 56.33 2a7m n ASP 95 Cb 0.71 -0.50 0.47 0.00 -0.02 0.00 0.00 41.12 41.78 2a7m n ASP 95 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2a7m h ASP 96 N 0.00 0.00 -3.76 -2.24 3.32 -1.46 -3.46 116.42 108.82 2a7m h ASP 96 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2a7m h ASP 96 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2a7m h ASP 96 CO 0.00 0.22 0.43 -0.76 -1.72 0.00 0.00 179.24 177.41 2a7m s LEU 97 N -6.80 4.58 -0.04 1.55 1.43 -1.01 -4.64 118.68 113.74 2a7m s LEU 97 Ca 0.00 2.14 -0.26 0.00 -1.03 0.00 0.00 54.13 54.99 2a7m s LEU 97 Cb 0.10 -3.62 -0.21 0.00 0.03 0.00 0.00 46.19 42.49 2a7m s LEU 97 CO 0.63 -0.05 1.15 0.25 0.23 0.00 0.00 176.35 178.57 2a7m h LEU 98 N 4.08 0.08 -7.77 1.79 5.85 -1.09 -3.46 115.31 114.78 2a7m h LEU 98 Ca -0.46 -0.62 -0.14 0.00 0.84 0.00 0.00 57.88 57.50 2a7m h LEU 98 Cb 1.21 -0.02 -0.20 0.00 0.37 0.00 0.00 40.66 42.02 2a7m h LEU 98 CO 0.68 0.69 -0.49 -0.31 -0.34 0.00 0.00 178.44 178.67 2a7m s TYR 99 N -3.73 0.07 -0.12 1.25 2.02 -1.24 -4.35 117.35 111.24 2a7m s TYR 99 Ca -0.16 -0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 2a7m s TYR 99 Cb 0.01 -0.06 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 2a7m s TYR 99 CO 0.70 -0.32 0.06 0.42 -1.57 0.00 0.00 175.55 174.84 2a7m s ILE 100 N -1.72 4.82 -0.22 2.71 -1.09 -0.36 -1.58 121.20 123.77 2a7m s ILE 100 Ca -0.12 -0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.21 2a7m s ILE 100 Cb -0.06 -3.09 -0.01 0.00 -1.58 0.00 0.00 42.46 37.72 2a7m s ILE 100 CO 0.00 0.57 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.61 2a7m s ILE 101 N -0.56 3.44 -0.43 2.92 1.01 0.22 0.18 121.20 127.98 2a7m s ILE 101 Ca 0.11 -0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 2a7m s ILE 101 Cb -0.12 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.82 2a7m s ILE 101 CO 0.02 0.43 0.42 -0.44 0.00 0.00 0.00 174.94 175.37 2a7m s SER 102 N 1.39 6.18 0.24 3.58 0.01 -0.20 -0.68 113.70 124.21 2a7m s SER 102 Ca 0.05 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.46 2a7m s SER 102 Cb -0.14 -2.21 0.36 0.00 0.21 0.00 0.00 66.02 64.23 2a7m s SER 102 CO -0.02 -0.59 1.84 0.77 0.41 0.00 0.00 173.24 175.65 2a7m h SER 103 N 8.73 0.78 -5.25 2.44 4.64 -1.85 -3.43 113.55 119.62 2a7m h SER 103 Ca -0.27 0.03 0.09 0.00 -0.47 0.00 0.00 61.79 61.17 2a7m h SER 103 Cb 1.11 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2a7m h SER 103 CO 0.80 0.48 0.46 -1.38 -0.87 0.00 0.00 176.83 176.32 2a7m s HIS 104 N -6.05 0.09 -0.20 4.77 -3.43 -1.26 -1.03 115.29 108.17 2a7m s HIS 104 Ca -0.12 -0.60 0.16 0.00 -0.80 0.00 0.00 55.06 53.69 2a7m s HIS 104 Cb 0.19 0.76 0.60 0.00 -1.43 0.00 0.00 32.58 32.70 2a7m s HIS 104 CO 0.79 -1.19 1.50 1.28 -2.00 0.00 0.00 174.74 175.12 2a7m n LEU 105 N -0.63 4.35 -4.69 5.38 4.77 -1.26 -4.28 117.00 120.63 2a7m n LEU 105 Ca -0.05 -2.99 -0.35 0.00 -0.03 0.00 0.00 56.01 52.59 2a7m n LEU 105 Cb 0.60 -0.58 0.11 0.00 -2.33 0.00 0.00 43.42 41.21 2a7m n LEU 105 CO 0.23 0.66 0.78 1.41 -1.33 0.00 0.00 177.39 179.14 2a7m n HIS 106 N -0.22 1.39 0.27 -1.77 8.25 -1.26 -4.65 115.22 117.23 2a7m n HIS 106 Ca 0.23 0.41 0.11 0.00 -0.26 0.00 0.00 57.72 58.21 2a7m n HIS 106 Cb 0.97 -2.15 0.74 0.00 1.12 0.00 0.00 29.99 30.67 2a7m n HIS 106 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2a7m h PHE 107 N -0.44 0.00 -0.02 4.41 -5.15 -1.93 -0.33 116.94 113.48 2a7m h PHE 107 Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 2a7m h PHE 107 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.48 2a7m h PHE 107 CO 0.44 0.06 0.00 -0.40 -2.00 0.00 0.00 178.31 176.41 2a7m n ASP 108 N -4.03 0.55 0.00 -0.68 3.85 -1.26 -2.83 116.55 112.14 2a7m n ASP 108 Ca -0.03 -1.24 0.00 0.00 -0.71 0.00 0.00 54.79 52.81 2a7m n ASP 108 Cb 0.15 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 2a7m n ASP 108 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 2a7m n HIS 109 N -0.54 0.00 -0.64 2.11 8.25 -0.23 -4.15 115.22 120.02 2a7m n HIS 109 Ca 0.21 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.68 2a7m n HIS 109 Cb 0.19 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.31 2a7m n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a7m n ALA 110 N -1.48 1.63 0.25 -1.41 0.00 -0.65 -1.14 120.51 117.71 2a7m n ALA 110 Ca 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 53.44 52.59 2a7m n ALA 110 Cb 0.21 -0.07 0.65 0.00 0.00 0.00 0.00 19.45 20.25 2a7m n ALA 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2a7m h GLY 111 N 0.00 0.00 -1.39 0.00 0.00 -0.71 -1.79 103.07 99.17 2a7m h GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a7m h GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2a7m n GLY 112 N -1.20 0.84 0.31 4.60 0.00 -1.10 -3.82 105.19 104.81 2a7m n GLY 112 Ca -0.03 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.53 2a7m n GLY 112 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2a7m h ASN 113 N 2.73 0.54 -0.06 1.61 4.21 -1.56 -2.27 115.58 120.78 2a7m h ASN 113 Ca 0.00 -0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.50 2a7m h ASN 113 Cb 0.61 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2a7m h ASN 113 CO 0.00 0.42 0.14 1.23 -1.29 0.00 0.00 177.43 177.92 2a7m h GLY 114 N 0.67 0.00 2.00 2.83 0.00 -1.81 -1.40 103.07 105.36 2a7m h GLY 114 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2a7m h GLY 114 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 2a7m h ALA 115 N 1.78 1.00 -2.99 3.60 0.00 -1.77 -3.39 119.26 117.50 2a7m h ALA 115 Ca 0.03 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.23 2a7m h ALA 115 Cb 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.76 2a7m h ALA 115 CO -0.00 0.00 -0.39 -0.06 0.00 0.00 0.00 179.25 178.80 2a7m s PHE 116 N -3.59 3.50 -0.84 0.00 0.08 -0.53 -4.86 117.98 111.74 2a7m s PHE 116 Ca 0.02 -2.34 0.21 0.00 0.12 0.00 0.00 56.93 54.94 2a7m s PHE 116 Cb 0.09 -3.34 -0.24 0.00 -0.57 0.00 0.00 43.02 38.96 2a7m s PHE 116 CO 0.52 -0.94 0.82 0.25 -0.10 0.00 0.00 175.22 175.77 2a7m n THR 117 N 4.25 0.00 -0.05 0.64 -2.24 -1.26 -4.53 114.28 111.09 2a7m n THR 117 Ca 0.01 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 2a7m n THR 117 Cb 0.40 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 2a7m n THR 117 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2a7m n ASN 118 N -1.60 3.21 -4.74 3.42 3.02 -1.26 -4.32 115.26 112.99 2a7m n ASN 118 Ca 0.03 -0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 2a7m n ASN 118 Cb 0.36 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 2a7m n ASN 118 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a7m s THR 119 N -2.20 2.49 0.25 3.41 2.01 -1.26 -4.81 115.64 115.53 2a7m s THR 119 Ca -0.13 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 2a7m s THR 119 Cb 0.03 -3.26 -0.10 0.00 0.01 0.00 0.00 72.50 69.18 2a7m s THR 119 CO 0.24 0.06 1.50 -2.84 -0.69 0.00 0.00 174.62 172.89 2a7m s PRO 120 N -0.25 4.22 -0.33 4.92 0.02 -1.26 -4.45 135.00 137.86 2a7m s PRO 120 Ca 0.61 2.39 -0.07 0.00 0.02 0.00 0.00 61.00 63.96 2a7m s PRO 120 Cb -0.44 -3.09 0.03 0.00 0.02 0.00 0.00 34.50 31.03 2a7m s PRO 120 CO 0.43 -0.51 0.11 0.42 -0.33 0.00 0.00 177.00 177.13 2a7m s ILE 121 N 0.15 3.92 -0.26 2.83 1.01 -0.28 -1.22 121.20 127.35 2a7m s ILE 121 Ca 0.62 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 2a7m s ILE 121 Cb -0.44 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 2a7m s ILE 121 CO 0.43 -0.14 0.80 -0.63 0.00 0.00 0.00 174.94 175.41 2a7m s ILE 122 N 1.44 4.83 -0.02 2.92 1.01 0.13 -0.33 121.20 131.19 2a7m s ILE 122 Ca -0.00 1.43 -0.07 0.00 0.00 0.00 0.00 60.65 62.00 2a7m s ILE 122 Cb -0.19 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.17 2a7m s ILE 122 CO 0.03 -0.12 0.15 0.54 0.00 0.00 0.00 174.94 175.54 2a7m s VAL 123 N 2.86 0.06 0.29 2.92 0.11 -0.97 -1.04 120.40 124.63 2a7m s VAL 123 Ca 0.34 -0.49 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 2a7m s VAL 123 Cb -0.15 -0.38 -0.10 0.00 -1.53 0.00 0.00 36.38 34.22 2a7m s VAL 123 CO 0.09 -0.27 1.23 -1.10 -3.33 0.00 0.00 175.10 171.72 2a7m s GLN 124 N -0.96 4.46 0.25 1.54 -1.52 -1.26 -1.37 119.66 120.79 2a7m s GLN 124 Ca -0.10 2.05 -0.05 0.00 -1.95 0.00 0.00 55.36 55.31 2a7m s GLN 124 Cb -0.06 -3.13 0.37 0.00 -0.22 0.00 0.00 33.01 29.97 2a7m s GLN 124 CO 0.01 -0.05 1.84 -0.09 -0.25 0.00 0.00 175.29 176.75 2a7m h ARG 125 N 3.83 0.92 0.00 2.91 2.43 -1.01 -0.43 114.38 123.03 2a7m h ARG 125 Ca -0.47 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 2a7m h ARG 125 Cb 1.22 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2a7m h ARG 125 CO 0.68 0.61 -0.23 1.79 -1.51 0.00 0.00 179.97 181.31 2a7m h THR 126 N 0.94 0.93 0.04 0.20 1.35 -1.88 -0.19 112.91 114.29 2a7m h THR 126 Ca 0.39 -0.84 -0.08 0.00 -0.55 0.00 0.00 66.41 65.33 2a7m h THR 126 Cb 0.24 1.49 0.01 0.00 -1.73 0.00 0.00 68.15 68.15 2a7m h THR 126 CO -0.20 0.22 -0.33 -0.08 -0.25 0.00 0.00 175.52 174.88 2a7m h GLU 127 N 0.00 0.16 -0.24 4.72 4.57 -1.47 -2.63 114.58 119.69 2a7m h GLU 127 Ca -0.00 -0.22 0.06 0.00 -1.18 0.00 0.00 59.36 58.01 2a7m h GLU 127 Cb 0.47 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 2a7m h GLU 127 CO 0.03 1.03 -0.14 -0.92 -1.18 0.00 0.00 179.01 177.83 2a7m h TYR 128 N -0.60 -0.35 -0.59 0.92 3.20 -0.92 -0.29 116.97 118.34 2a7m h TYR 128 Ca -0.05 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 2a7m h TYR 128 Cb 1.18 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.61 2a7m h TYR 128 CO 0.21 -0.21 0.21 0.93 -1.64 0.00 0.00 178.16 177.66 2a7m h GLU 129 N -0.12 0.88 -0.50 1.82 5.08 -1.14 -2.29 114.58 118.31 2a7m h GLU 129 Ca 0.13 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2a7m h GLU 129 Cb 0.32 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2a7m h GLU 129 CO -0.32 0.74 0.13 0.00 -1.00 0.00 0.00 179.01 178.56 2a7m h ALA 130 N 1.37 0.66 0.00 3.43 0.00 -1.08 -2.99 119.26 120.66 2a7m h ALA 130 Ca 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2a7m h ALA 130 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2a7m h ALA 130 CO -0.01 0.33 -0.17 0.00 0.00 0.00 0.00 179.25 179.41 2a7m h ALA 131 N 1.00 1.42 0.00 0.00 0.00 -0.52 0.47 119.26 121.63 2a7m h ALA 131 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2a7m h ALA 131 Cb 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2a7m h ALA 131 CO -0.00 0.21 -0.05 -0.07 0.00 0.00 0.00 179.25 179.34 2a7m h LEU 132 N 0.00 0.00 0.00 0.00 3.38 -1.27 -3.39 115.31 114.03 2a7m h LEU 132 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2a7m h LEU 132 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2a7m h LEU 132 CO 0.02 0.05 -0.32 0.00 0.09 0.00 0.00 178.44 178.28 2a7m n HIS 133 N -3.78 0.00 -2.19 1.13 1.44 -0.77 -5.09 115.22 105.96 2a7m n HIS 133 Ca -0.03 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.28 2a7m n HIS 133 Cb 0.15 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.23 2a7m n HIS 133 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2a7m s ARG 134 N -1.26 4.38 0.40 -1.40 0.52 0.08 -4.93 118.95 116.75 2a7m s ARG 134 Ca 0.00 2.11 0.20 0.00 -0.52 0.00 0.00 55.73 57.52 2a7m s ARG 134 Cb 0.00 -3.06 0.78 0.00 0.52 0.00 0.00 34.95 33.18 2a7m s ARG 134 CO 0.00 -0.12 1.78 1.05 0.02 0.00 0.00 175.30 178.02 2a7m h GLU 135 N 3.40 0.00 -0.93 3.54 4.11 -1.94 -2.87 114.58 119.89 2a7m h GLU 135 Ca -0.48 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.06 2a7m h GLU 135 Cb 1.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 2a7m h GLU 135 CO 0.65 0.33 0.60 0.93 0.07 0.00 0.00 179.01 181.59 2a7m h GLU 136 N 0.00 0.85 -6.57 1.06 3.07 -1.97 -3.44 114.58 107.59 2a7m h GLU 136 Ca -0.00 -0.05 -0.53 0.00 -0.50 0.00 0.00 59.36 58.28 2a7m h GLU 136 Cb 0.82 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2a7m h GLU 136 CO 0.04 0.56 0.55 0.71 -1.40 0.00 0.00 179.01 179.48 2a7m s TYR 137 N -5.83 3.45 0.19 4.33 1.51 -1.08 -4.92 117.35 114.99 2a7m s TYR 137 Ca -0.11 1.37 -0.15 0.00 -1.01 0.00 0.00 57.07 57.17 2a7m s TYR 137 Cb 0.22 -3.41 -0.07 0.00 -0.11 0.00 0.00 41.96 38.58 2a7m s TYR 137 CO 0.80 -1.20 0.61 -1.64 -1.11 0.00 0.00 175.55 173.01 2a7m s MET 138 N 0.44 4.04 0.47 -0.62 -1.94 -1.26 -4.97 119.30 115.47 2a7m s MET 138 Ca 0.56 0.59 0.16 0.00 -1.71 0.00 0.00 55.69 55.29 2a7m s MET 138 Cb -0.31 -2.85 1.15 0.00 2.01 0.00 0.00 34.83 34.84 2a7m s MET 138 CO 0.32 0.41 2.03 0.87 -0.01 0.00 0.00 175.02 178.65 2a7m h LYS 139 N 3.32 0.23 0.00 2.03 1.79 -1.96 0.50 116.57 122.47 2a7m h LYS 139 Ca -0.48 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2a7m h LYS 139 Cb 1.19 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2a7m h LYS 139 CO 0.66 0.15 -0.00 0.93 -1.08 0.00 0.00 179.45 180.11 2a7m h GLU 140 N 0.23 0.00 -0.02 3.15 3.07 -1.93 -2.55 114.58 116.53 2a7m h GLU 140 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2a7m h GLU 140 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2a7m h GLU 140 CO -0.04 0.00 -0.11 0.00 -1.40 0.00 0.00 179.01 177.46 2a7m n ILE 142 N 0.81 1.04 -1.72 0.00 0.13 -0.96 -4.92 119.36 113.73 2a7m n ILE 142 Ca 0.14 -2.57 -0.43 0.00 -1.10 0.00 0.00 62.75 58.79 2a7m n ILE 142 Cb 0.53 1.25 -0.02 0.00 -0.84 0.00 0.00 39.64 40.56 2a7m n ILE 142 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2a7m n LEU 143 N -0.65 3.94 0.21 9.51 4.77 -1.20 -4.89 117.00 128.69 2a7m n LEU 143 Ca 0.04 1.16 0.09 0.00 -0.03 0.00 0.00 56.01 57.26 2a7m n LEU 143 Cb 0.83 -1.54 0.44 0.00 -2.33 0.00 0.00 43.42 40.82 2a7m n LEU 143 CO 0.04 -0.09 0.78 1.55 -1.33 0.00 0.00 177.39 178.33 2a7m h PRO 144 N 4.31 0.00 -0.24 3.23 0.13 -1.99 -3.34 132.00 134.10 2a7m h PRO 144 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2a7m h PRO 144 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2a7m h PRO 144 CO 0.76 0.27 0.00 0.72 -0.23 0.00 0.00 178.00 179.52 2a7m n HIS 145 N -3.49 0.45 -1.12 1.56 8.25 -1.26 -5.00 115.22 114.61 2a7m n HIS 145 Ca -0.00 -0.61 -0.30 0.00 -0.26 0.00 0.00 57.72 56.55 2a7m n HIS 145 Cb 0.43 -0.10 0.14 0.00 1.12 0.00 0.00 29.99 31.59 2a7m n HIS 145 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2a7m s LEU 146 N -1.49 2.33 -1.33 2.41 1.43 -1.26 -4.92 118.68 115.86 2a7m s LEU 146 Ca 0.23 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 2a7m s LEU 146 Cb 0.15 -4.03 0.13 0.00 0.03 0.00 0.00 46.19 42.48 2a7m s LEU 146 CO 0.11 -2.69 1.96 -3.20 0.23 0.00 0.00 176.35 172.75 2a7m n ASN 147 N -3.93 4.77 -4.75 2.29 4.05 -1.26 -4.97 115.26 111.46 2a7m n ASN 147 Ca 0.07 -3.04 -0.41 0.00 0.45 0.00 0.00 54.58 51.66 2a7m n ASN 147 Cb 0.55 -1.53 -0.03 0.00 1.23 0.00 0.00 39.78 40.00 2a7m n ASN 147 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2a7m s TYR 148 N 1.17 3.13 -0.57 1.20 2.02 -1.26 -1.12 117.35 121.92 2a7m s TYR 148 Ca 0.42 1.17 -0.03 0.00 -0.37 0.00 0.00 57.07 58.26 2a7m s TYR 148 Cb 0.11 -3.70 0.15 0.00 -0.40 0.00 0.00 41.96 38.11 2a7m s TYR 148 CO -0.02 -2.20 0.38 0.21 -1.57 0.00 0.00 175.55 172.35 2a7m s LYS 149 N -0.48 2.42 -0.13 -0.62 2.20 0.55 -4.78 119.74 118.90 2a7m s LYS 149 Ca 0.57 -2.35 -0.28 0.00 -0.36 0.00 0.00 55.97 53.54 2a7m s LYS 149 Cb -0.39 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.22 2a7m s LYS 149 CO 0.42 -1.15 0.94 0.42 -0.36 0.00 0.00 175.35 175.63 2a7m s ILE 150 N 0.24 4.82 0.35 5.43 1.01 -1.26 -2.29 121.20 129.49 2a7m s ILE 150 Ca 0.15 1.89 0.09 0.00 0.00 0.00 0.00 60.65 62.78 2a7m s ILE 150 Cb -0.21 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 2a7m s ILE 150 CO -0.03 0.01 -0.07 0.27 0.00 0.00 0.00 174.94 175.12 2a7m s ILE 151 N 2.07 2.27 -0.26 2.92 -4.36 -0.47 -4.90 121.20 118.47 2a7m s ILE 151 Ca 0.44 -2.15 -0.02 0.00 -0.26 0.00 0.00 60.65 58.66 2a7m s ILE 151 Cb -0.17 -2.70 0.08 0.00 1.25 0.00 0.00 42.46 40.92 2a7m s ILE 151 CO 0.15 -0.18 0.08 -1.61 0.24 0.00 0.00 174.94 173.62 2a7m s GLU 152 N -3.63 0.62 0.78 0.37 2.02 -1.26 -0.31 118.70 117.29 2a7m s GLU 152 Ca 0.33 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2a7m s GLU 152 Cb 0.03 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.34 2a7m s GLU 152 CO 0.17 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 175.01 2a7m n GLY 153 N 4.99 -0.49 3.77 -1.39 0.00 -1.26 -4.94 105.19 105.87 2a7m n GLY 153 Ca -0.06 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 2a7m n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a7m s ASP 154 N -4.00 5.45 -0.26 1.61 1.11 -1.26 -4.44 116.67 114.88 2a7m s ASP 154 Ca 0.00 2.16 -0.20 0.00 0.18 0.00 0.00 52.55 54.69 2a7m s ASP 154 Cb 0.00 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.49 2a7m s ASP 154 CO 0.00 -1.40 0.68 -0.47 1.18 0.00 0.00 175.17 175.15 2a7m s TYR 155 N -1.91 -0.88 -0.31 4.23 5.04 -0.91 -4.99 117.35 117.61 2a7m s TYR 155 Ca 0.72 1.94 -0.15 0.00 -2.44 0.00 0.00 57.07 57.14 2a7m s TYR 155 Cb -0.24 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.46 2a7m s TYR 155 CO 0.32 -0.43 0.38 -2.00 -1.34 0.00 0.00 175.55 172.48 2a7m s GLU 156 N 0.91 3.76 -0.10 4.97 2.12 -1.26 0.16 118.70 129.26 2a7m s GLU 156 Ca -0.04 -0.21 -0.15 0.00 0.36 0.00 0.00 54.97 54.93 2a7m s GLU 156 Cb -0.05 -3.74 -0.12 0.00 0.26 0.00 0.00 34.13 30.48 2a7m s GLU 156 CO -0.08 -0.43 0.47 0.28 -0.54 0.00 0.00 175.26 174.96 2a7m h VAL 157 N 5.48 0.77 -4.00 3.70 2.07 -1.53 -3.48 116.25 119.26 2a7m h VAL 157 Ca -0.30 -1.45 -0.12 0.00 0.82 0.00 0.00 66.70 65.65 2a7m h VAL 157 Cb 1.15 1.41 -0.12 0.00 -1.52 0.00 0.00 31.29 32.21 2a7m h VAL 157 CO 0.68 0.25 -0.35 0.68 0.02 0.00 0.00 177.57 178.85 2a7m s VAL 158 N -2.27 0.04 0.23 2.57 -7.23 -1.25 -5.06 120.40 107.44 2a7m s VAL 158 Ca -0.09 -1.55 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 2a7m s VAL 158 Cb -0.01 -2.08 -0.13 0.00 0.56 0.00 0.00 36.38 34.71 2a7m s VAL 158 CO 0.34 -0.17 1.42 -2.65 -0.31 0.00 0.00 175.10 173.73 2a7m n PRO 159 N -0.26 2.04 -0.29 4.82 -0.02 -1.26 -1.29 135.00 138.74 2a7m n PRO 159 Ca -0.04 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2a7m n PRO 159 Cb 0.63 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2a7m n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a7m n GLY 160 N 2.25 1.45 2.90 -1.23 0.00 -1.24 -4.54 105.19 104.77 2a7m n GLY 160 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2a7m n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a7m s VAL 161 N -2.93 1.57 -0.08 1.61 1.01 -0.41 -0.67 120.40 120.49 2a7m s VAL 161 Ca 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.32 2a7m s VAL 161 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2a7m s VAL 161 CO 0.00 -0.47 -0.14 -1.10 0.00 0.00 0.00 175.10 173.38 2a7m s GLN 162 N 1.30 2.89 -0.17 2.72 -1.52 -0.09 -1.18 119.66 123.60 2a7m s GLN 162 Ca 0.05 -0.70 -0.09 0.00 -1.95 0.00 0.00 55.36 52.67 2a7m s GLN 162 Cb -0.18 -2.48 -0.05 0.00 -0.22 0.00 0.00 33.01 30.08 2a7m s GLN 162 CO -0.13 0.44 0.14 -0.51 -0.25 0.00 0.00 175.29 174.98 2a7m s LEU 163 N -0.25 4.27 -0.19 2.90 1.43 0.12 -0.48 118.68 126.49 2a7m s LEU 163 Ca 0.01 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 2a7m s LEU 163 Cb -0.13 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2a7m s LEU 163 CO 0.03 0.25 -0.12 -0.76 0.23 0.00 0.00 176.35 175.97 2a7m s LEU 164 N -0.08 2.53 -0.21 1.79 1.43 0.03 -2.15 118.68 122.02 2a7m s LEU 164 Ca 0.11 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 2a7m s LEU 164 Cb -0.11 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2a7m s LEU 164 CO 0.00 0.01 1.66 -0.47 0.23 0.00 0.00 176.35 177.79 2a7m s TYR 165 N 1.25 2.02 -0.46 0.29 6.04 -1.26 -0.62 117.35 124.60 2a7m s TYR 165 Ca 0.03 0.50 0.09 0.00 0.04 0.00 0.00 57.07 57.73 2a7m s TYR 165 Cb -0.14 -4.00 0.31 0.00 -1.04 0.00 0.00 41.96 37.09 2a7m s TYR 165 CO -0.06 -3.10 0.73 0.25 -1.54 0.00 0.00 175.55 171.83 2a7m n THR 166 N 6.47 0.75 -1.47 4.34 -2.24 0.11 -4.93 114.28 117.31 2a7m n THR 166 Ca 0.19 -4.74 -0.32 0.00 -2.27 0.00 0.00 64.05 56.91 2a7m n THR 166 Cb 0.45 -1.21 0.07 0.00 -2.10 0.00 0.00 70.33 67.55 2a7m n THR 166 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2a7m s PRO 167 N -2.34 2.47 0.00 -0.78 0.04 -1.15 -4.39 135.00 128.85 2a7m s PRO 167 Ca 0.41 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2a7m s PRO 167 Cb 0.26 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2a7m s PRO 167 CO -0.09 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 175.87 2a7m n GLY 168 N -0.86 3.03 0.35 0.56 0.00 -1.26 -3.79 105.19 103.21 2a7m n GLY 168 Ca 0.10 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.66 2a7m n GLY 168 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2a7m h HIS 169 N 0.00 1.12 -4.29 1.61 -0.00 -1.80 0.21 115.15 112.00 2a7m h HIS 169 Ca 0.00 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.25 2a7m h HIS 169 Cb 0.00 -0.37 -0.15 0.00 -0.00 0.00 0.00 27.41 26.89 2a7m h HIS 169 CO 0.00 0.61 -0.67 -1.54 -0.00 0.00 0.00 177.93 176.33 2a7m s SER 170 N -5.89 0.45 0.59 3.26 1.04 -1.26 -1.53 113.70 110.35 2a7m s SER 170 Ca -0.13 -1.09 0.29 0.00 0.48 0.00 0.00 55.95 55.51 2a7m s SER 170 Cb 0.19 0.23 1.77 0.00 0.10 0.00 0.00 66.02 68.31 2a7m s SER 170 CO 0.80 -0.65 2.22 -0.65 0.98 0.00 0.00 173.24 175.95 2a7m h PRO 171 N 3.03 0.00 -0.20 4.02 0.11 -1.86 -2.87 132.00 134.23 2a7m h PRO 171 Ca -0.35 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.56 2a7m h PRO 171 Cb 1.16 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.96 2a7m h PRO 171 CO 0.63 0.00 -0.92 0.41 -0.21 0.00 0.00 178.00 177.91 2a7m n GLY 172 N -1.35 2.71 3.77 -0.55 0.00 -1.26 -4.60 105.19 103.92 2a7m n GLY 172 Ca -0.02 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 2a7m n GLY 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a7m s HIS 173 N -2.04 2.53 0.03 1.61 5.04 -1.08 -4.49 115.29 116.87 2a7m s HIS 173 Ca 0.35 1.22 0.03 0.00 -1.54 0.00 0.00 55.06 55.12 2a7m s HIS 173 Cb 0.37 -3.96 -0.02 0.00 0.04 0.00 0.00 32.58 29.01 2a7m s HIS 173 CO -0.09 -2.95 -0.09 1.14 -2.34 0.00 0.00 174.74 170.41 2a7m s GLN 174 N -2.28 0.62 0.44 2.88 -2.07 -0.20 -0.72 119.66 118.34 2a7m s GLN 174 Ca 0.57 -0.57 0.07 0.00 -1.82 0.00 0.00 55.36 53.61 2a7m s GLN 174 Cb -0.45 -0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 30.93 2a7m s GLN 174 CO 0.59 0.13 0.37 -1.12 -1.32 0.00 0.00 175.29 173.94 2a7m s SER 175 N -0.96 4.91 -0.05 12.60 0.01 0.21 -4.61 113.70 125.81 2a7m s SER 175 Ca -0.03 -0.86 0.06 0.00 1.31 0.00 0.00 55.95 56.43 2a7m s SER 175 Cb -0.07 -0.40 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 2a7m s SER 175 CO 0.00 -0.72 -0.22 -0.76 0.41 0.00 0.00 173.24 171.95 2a7m s LEU 176 N -4.14 2.02 -0.24 2.44 1.02 -0.50 -0.79 118.68 118.49 2a7m s LEU 176 Ca 0.46 -0.45 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 2a7m s LEU 176 Cb -0.02 -1.22 0.02 0.00 0.02 0.00 0.00 46.19 44.99 2a7m s LEU 176 CO 0.27 0.22 -0.07 0.12 0.02 0.00 0.00 176.35 176.90 2a7m s PHE 177 N -0.14 3.02 -0.04 0.29 2.19 0.37 -0.71 117.98 122.96 2a7m s PHE 177 Ca -0.02 -1.48 0.07 0.00 0.33 0.00 0.00 56.93 55.82 2a7m s PHE 177 Cb -0.12 -2.05 -0.02 0.00 -1.31 0.00 0.00 43.02 39.52 2a7m s PHE 177 CO 0.03 -0.71 -0.25 0.42 1.83 0.00 0.00 175.22 176.54 2a7m s ILE 178 N 1.34 2.11 -0.32 3.12 -1.09 0.36 -0.91 121.20 125.82 2a7m s ILE 178 Ca 0.01 -1.07 -0.08 0.00 -2.23 0.00 0.00 60.65 57.29 2a7m s ILE 178 Cb -0.16 -1.75 0.01 0.00 -1.58 0.00 0.00 42.46 38.98 2a7m s ILE 178 CO -0.05 0.58 0.12 -0.70 -1.23 0.00 0.00 174.94 173.66 2a7m s GLU 179 N -0.39 3.06 0.13 2.79 2.56 0.16 -0.10 118.70 126.91 2a7m s GLU 179 Ca 0.03 -0.89 0.04 0.00 0.00 0.00 0.00 54.97 54.15 2a7m s GLU 179 Cb -0.12 -3.50 -0.04 0.00 2.00 0.00 0.00 34.13 32.47 2a7m s GLU 179 CO 0.01 -0.50 0.12 0.95 -0.56 0.00 0.00 175.26 175.28 2a7m s THR 180 N 1.53 4.54 0.28 -1.70 -4.23 -0.39 -0.30 115.64 115.37 2a7m s THR 180 Ca 0.03 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 2a7m s THR 180 Cb -0.18 -3.27 0.25 0.00 1.34 0.00 0.00 72.50 70.65 2a7m s THR 180 CO 0.04 -0.02 1.94 -0.08 -0.54 0.00 0.00 174.62 175.97 2a7m h GLU 181 N 2.74 1.14 0.00 3.99 4.81 -1.15 -0.65 114.58 125.46 2a7m h GLU 181 Ca -0.47 -0.08 -0.25 0.00 -0.13 0.00 0.00 59.36 58.42 2a7m h GLU 181 Cb 1.19 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 2a7m h GLU 181 CO 0.64 0.77 -1.35 1.96 -0.73 0.00 0.00 179.01 180.31 2a7m h GLN 182 N 1.16 0.00 0.00 1.92 7.50 -1.83 -3.41 115.11 120.46 2a7m h GLN 182 Ca 0.31 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.45 2a7m h GLN 182 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.44 2a7m h GLN 182 CO -0.06 0.76 -0.03 0.43 -1.50 0.00 0.00 178.83 178.42 2a7m n SER 183 N -3.20 0.15 0.00 1.46 7.64 -1.19 -5.12 113.62 113.36 2a7m n SER 183 Ca -0.08 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.42 2a7m n SER 183 Cb 0.99 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.98 2a7m n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a7m n GLY 184 N 0.83 1.79 3.69 0.23 0.00 -0.26 -4.83 105.19 106.64 2a7m n GLY 184 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2a7m n GLY 184 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a7m s SER 185 N -4.00 6.99 -0.08 1.61 0.01 -1.26 -1.26 113.70 115.71 2a7m s SER 185 Ca 0.00 1.92 0.02 0.00 1.31 0.00 0.00 55.95 59.20 2a7m s SER 185 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2a7m s SER 185 CO 0.00 -0.62 -0.14 -0.69 0.41 0.00 0.00 173.24 172.20 2a7m s VAL 186 N 2.22 1.30 -0.29 3.43 1.01 0.85 -1.69 120.40 127.23 2a7m s VAL 186 Ca 0.59 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 2a7m s VAL 186 Cb -0.27 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2a7m s VAL 186 CO 0.24 0.39 0.07 -0.22 0.00 0.00 0.00 175.10 175.58 2a7m s LEU 187 N 0.72 3.74 -0.50 3.92 2.96 0.25 -0.48 118.68 129.29 2a7m s LEU 187 Ca -0.13 -0.64 -0.17 0.00 -0.22 0.00 0.00 54.13 52.97 2a7m s LEU 187 Cb -0.16 -1.87 0.07 0.00 0.50 0.00 0.00 46.19 44.73 2a7m s LEU 187 CO 0.03 -0.16 0.50 -0.76 -1.32 0.00 0.00 176.35 174.64 2a7m s LEU 188 N 1.51 5.40 0.54 -0.68 1.43 0.11 -1.08 118.68 125.91 2a7m s LEU 188 Ca 0.03 -1.21 0.31 0.00 -1.03 0.00 0.00 54.13 52.24 2a7m s LEU 188 Cb -0.17 -2.29 1.51 0.00 0.03 0.00 0.00 46.19 45.28 2a7m s LEU 188 CO 0.02 -0.78 2.07 0.71 0.23 0.00 0.00 176.35 178.60 2a7m h THR 189 N 5.81 0.35 0.00 5.49 1.35 -1.53 -1.33 112.91 123.05 2a7m h THR 189 Ca -0.28 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2a7m h THR 189 Cb 1.10 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2a7m h THR 189 CO 0.93 0.09 0.00 -0.38 -0.25 0.00 0.00 175.52 175.91 2a7m n ILE 190 N -3.40 0.00 0.31 6.82 2.08 -1.26 -2.04 119.36 121.88 2a7m n ILE 190 Ca -0.01 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.34 2a7m n ILE 190 Cb 0.25 0.00 0.19 0.00 -0.75 0.00 0.00 39.64 39.33 2a7m n ILE 190 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2a7m n ASP 191 N 1.36 2.90 0.08 4.38 9.92 -1.26 -2.13 116.55 131.81 2a7m n ASP 191 Ca 0.00 -2.31 0.11 0.00 -0.53 0.00 0.00 54.79 52.05 2a7m n ASP 191 Cb 0.00 -0.48 0.44 0.00 -0.64 0.00 0.00 41.12 40.44 2a7m n ASP 191 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a7m n ALA 192 N 0.39 1.78 -3.65 2.24 0.00 -0.87 -4.45 120.51 115.95 2a7m n ALA 192 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 2a7m n ALA 192 Cb 0.59 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 2a7m n ALA 192 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2a7m s SER 193 N -3.87 -1.04 0.11 0.00 0.01 -1.22 -4.75 113.70 102.94 2a7m s SER 193 Ca 0.06 1.51 -0.18 0.00 1.31 0.00 0.00 55.95 58.65 2a7m s SER 193 Cb 0.10 2.15 -0.06 0.00 0.21 0.00 0.00 66.02 68.43 2a7m s SER 193 CO 0.39 -0.22 1.63 1.88 0.41 0.00 0.00 173.24 177.33 2a7m h TYR 194 N 7.97 0.44 -2.61 2.43 -1.99 -1.78 -1.67 116.97 119.75 2a7m h TYR 194 Ca -0.18 -0.04 -0.50 0.00 2.00 0.00 0.00 58.73 60.00 2a7m h TYR 194 Cb 1.11 -0.13 -0.14 0.00 2.00 0.00 0.00 36.73 39.57 2a7m h TYR 194 CO 0.17 0.46 -0.67 0.95 -0.00 0.00 0.00 178.16 179.07 2a7m s THR 195 N -5.45 1.66 0.28 -2.88 -4.23 -1.26 -0.92 115.64 102.84 2a7m s THR 195 Ca -0.13 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.26 2a7m s THR 195 Cb 0.08 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.72 2a7m s THR 195 CO 0.73 -0.28 1.82 0.50 -0.54 0.00 0.00 174.62 176.85 2a7m h LYS 196 N 2.25 0.90 -0.74 3.99 3.64 -1.96 -1.72 116.57 122.94 2a7m h LYS 196 Ca -0.40 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2a7m h LYS 196 Cb 1.24 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2a7m h LYS 196 CO 0.68 0.60 0.33 1.49 -2.27 0.00 0.00 179.45 180.27 2a7m h GLU 197 N 0.93 1.07 -0.55 1.90 4.81 -1.97 0.13 114.58 120.90 2a7m h GLU 197 Ca 0.49 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2a7m h GLU 197 Cb 0.52 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2a7m h GLU 197 CO -0.28 0.84 0.37 -0.91 -0.73 0.00 0.00 179.01 178.29 2a7m h ASN 198 N 1.05 0.63 0.00 1.04 -0.26 -1.50 -1.69 115.58 114.84 2a7m h ASN 198 Ca 0.25 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 2a7m h ASN 198 Cb 0.14 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 2a7m h ASN 198 CO -0.03 0.45 -0.04 0.15 -1.06 0.00 0.00 177.43 176.90 2a7m h PHE 199 N 0.74 0.00 -0.18 1.19 3.04 -1.18 -2.99 116.94 117.56 2a7m h PHE 199 Ca 0.20 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 2a7m h PHE 199 Cb -0.07 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 2a7m h PHE 199 CO -0.00 0.00 0.05 0.93 -2.02 0.00 0.00 178.31 177.27 2a7m h GLU 200 N -0.57 0.28 -0.03 1.11 5.08 -0.87 -3.18 114.58 116.39 2a7m h GLU 200 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2a7m h GLU 200 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2a7m h GLU 200 CO 0.00 0.40 0.00 -0.25 -1.00 0.00 0.00 179.01 178.16 2a7m n ASP 201 N -4.81 2.85 -3.29 1.42 8.00 -0.68 -4.96 116.55 115.08 2a7m n ASP 201 Ca -0.04 -1.95 -0.24 0.00 0.71 0.00 0.00 54.79 53.27 2a7m n ASP 201 Cb 0.15 -0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2a7m n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2a7m n GLU 202 N 1.24 -4.75 -2.05 -1.24 1.02 -0.95 -4.93 120.64 108.98 2a7m n GLU 202 Ca 0.14 0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 57.59 2a7m n GLU 202 Cb 0.58 -5.56 -0.03 0.00 -0.02 0.00 0.00 31.44 26.41 2a7m n GLU 202 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2a7m s VAL 203 N -3.12 3.45 0.65 2.62 1.01 -1.10 -4.97 120.40 118.94 2a7m s VAL 203 Ca 0.40 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 2a7m s VAL 203 Cb -0.19 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2a7m s VAL 203 CO 0.50 -0.03 1.27 -2.16 0.00 0.00 0.00 175.10 174.68 2a7m s PRO 204 N 3.11 2.54 0.30 2.72 0.04 -1.26 -4.31 135.00 138.14 2a7m s PRO 204 Ca 0.70 1.99 -0.09 0.00 0.04 0.00 0.00 61.00 63.64 2a7m s PRO 204 Cb -0.35 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.35 2a7m s PRO 204 CO 0.29 -1.58 0.52 -0.59 0.04 0.00 0.00 177.00 175.68 2a7m s PHE 205 N -1.51 0.59 0.09 0.56 -0.12 -1.26 -1.63 117.98 114.69 2a7m s PHE 205 Ca 0.81 -0.95 -0.36 0.00 -0.05 0.00 0.00 56.93 56.38 2a7m s PHE 205 Cb -0.35 0.17 -0.16 0.00 -0.63 0.00 0.00 43.02 42.06 2a7m s PHE 205 CO 0.40 -1.12 1.46 0.00 -0.05 0.00 0.00 175.22 175.90 2a7m n ALA 206 N -0.47 -0.10 -3.63 1.99 0.00 -0.41 -4.90 120.51 113.00 2a7m n ALA 206 Ca -0.02 0.48 -0.03 0.00 0.00 0.00 0.00 53.44 53.88 2a7m n ALA 206 Cb 0.61 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 2a7m n ALA 206 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2a7m s GLY 207 N 0.91 -0.12 0.18 0.00 0.00 -1.26 -4.81 107.32 102.23 2a7m s GLY 207 Ca 0.84 2.18 -0.09 0.00 0.00 0.00 0.00 44.72 47.64 2a7m s GLY 207 CO 0.45 0.79 1.63 -2.75 0.00 0.00 0.00 173.10 173.21 2a7m h PHE 208 N 2.03 1.17 -2.47 1.90 3.57 -0.53 -3.39 116.94 119.22 2a7m h PHE 208 Ca -0.05 -0.22 -0.53 0.00 3.53 0.00 0.00 57.97 60.70 2a7m h PHE 208 Cb 1.15 -0.30 -0.37 0.00 2.79 0.00 0.00 35.95 39.22 2a7m h PHE 208 CO 0.26 1.05 -0.81 0.34 -2.23 0.00 0.00 178.31 176.92 2a7m s ASP 209 N -6.61 2.64 0.35 0.41 3.68 0.67 -5.02 116.67 112.80 2a7m s ASP 209 Ca -0.12 -1.93 0.10 0.00 2.13 0.00 0.00 52.55 52.73 2a7m s ASP 209 Cb 0.13 -0.18 0.85 0.00 -1.45 0.00 0.00 42.92 42.27 2a7m s ASP 209 CO 0.86 -0.32 1.84 -0.65 0.13 0.00 0.00 175.17 177.04 2a7m h PRO 210 N 7.21 0.64 -0.02 4.34 0.11 -1.78 -0.49 132.00 142.01 2a7m h PRO 210 Ca 0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 2a7m h PRO 210 Cb 0.99 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2a7m h PRO 210 CO 0.27 0.42 0.01 1.49 -0.21 0.00 0.00 178.00 179.98 2a7m h GLU 211 N 0.66 0.03 -0.61 1.05 4.81 -1.95 -0.78 114.58 117.79 2a7m h GLU 211 Ca 0.49 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 2a7m h GLU 211 Cb 0.87 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 2a7m h GLU 211 CO -0.24 0.15 0.29 1.25 -0.73 0.00 0.00 179.01 179.73 2a7m h LEU 212 N -0.09 0.77 -0.94 1.64 5.85 -1.79 -2.36 115.31 118.38 2a7m h LEU 212 Ca 0.01 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2a7m h LEU 212 Cb 0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2a7m h LEU 212 CO -0.00 0.66 -0.04 0.00 -0.34 0.00 0.00 178.44 178.72 2a7m h ALA 213 N 1.47 1.12 -0.39 1.25 0.00 -0.67 -0.50 119.26 121.53 2a7m h ALA 213 Ca 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2a7m h ALA 213 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2a7m h ALA 213 CO -0.03 0.56 0.11 1.25 0.00 0.00 0.00 179.25 181.14 2a7m h LEU 214 N 0.68 0.58 -1.22 0.00 5.85 -0.79 -1.14 115.31 119.27 2a7m h LEU 214 Ca 0.13 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2a7m h LEU 214 Cb 0.47 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2a7m h LEU 214 CO 0.02 0.65 -0.02 0.77 -0.34 0.00 0.00 178.44 179.51 2a7m h SER 215 N 0.48 0.47 -0.24 1.25 4.64 -1.06 0.17 113.55 119.26 2a7m h SER 215 Ca 0.12 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 2a7m h SER 215 Cb 0.29 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2a7m h SER 215 CO -0.00 0.56 -0.29 0.28 -0.87 0.00 0.00 176.83 176.51 2a7m h SER 216 N 0.48 0.77 -0.50 4.97 0.02 -0.91 -0.49 113.55 117.89 2a7m h SER 216 Ca 0.10 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2a7m h SER 216 Cb 0.35 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2a7m h SER 216 CO 0.01 1.01 0.28 0.40 -1.14 0.00 0.00 176.83 177.39 2a7m h ILE 217 N 0.64 1.17 -0.70 3.27 2.04 -0.47 -0.57 117.51 122.88 2a7m h ILE 217 Ca 0.08 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2a7m h ILE 217 Cb 0.81 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2a7m h ILE 217 CO 0.07 0.18 0.33 0.11 0.00 0.00 0.00 178.15 178.84 2a7m h LYS 218 N 0.67 1.00 0.02 2.37 1.57 -0.72 0.82 116.57 122.30 2a7m h LYS 218 Ca 0.18 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2a7m h LYS 218 Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2a7m h LYS 218 CO -0.03 0.78 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.53 2a7m h ARG 219 N 1.00 -0.02 -0.78 3.15 2.43 -0.89 -2.51 114.38 116.76 2a7m h ARG 219 Ca 0.24 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 2a7m h ARG 219 Cb 0.11 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2a7m h ARG 219 CO -0.03 0.08 0.51 -0.07 -1.51 0.00 0.00 179.97 178.95 2a7m h LEU 220 N -0.12 0.77 -1.36 3.80 3.38 -0.59 -2.16 115.31 119.03 2a7m h LEU 220 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2a7m h LEU 220 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2a7m h LEU 220 CO 0.00 0.51 0.03 0.11 0.09 0.00 0.00 178.44 179.17 2a7m h LYS 221 N 0.88 0.45 -0.49 1.13 1.57 -0.61 0.09 116.57 119.59 2a7m h LYS 221 Ca 0.33 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2a7m h LYS 221 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2a7m h LYS 221 CO -0.11 0.46 -0.13 0.93 -0.57 0.00 0.00 179.45 180.03 2a7m h GLU 222 N 0.44 0.95 -0.52 3.15 4.39 -0.96 -0.22 114.58 121.81 2a7m h GLU 222 Ca 0.10 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 2a7m h GLU 222 Cb 0.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2a7m h GLU 222 CO 0.00 1.04 0.32 0.28 -1.16 0.00 0.00 179.01 179.49 2a7m h VAL 223 N 0.80 1.15 -0.74 3.13 2.07 -1.02 -2.42 116.25 119.22 2a7m h VAL 223 Ca 0.12 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2a7m h VAL 223 Cb 0.69 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2a7m h VAL 223 CO 0.05 0.15 0.36 0.58 0.02 0.00 0.00 177.57 178.74 2a7m h VAL 224 N 0.70 1.24 -0.48 2.57 2.07 -0.81 0.16 116.25 121.69 2a7m h VAL 224 Ca 0.19 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2a7m h VAL 224 Cb -0.03 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2a7m h VAL 224 CO -0.04 0.28 0.29 0.11 0.02 0.00 0.00 177.57 178.23 2a7m h LYS 225 N 1.03 0.64 0.23 1.57 1.57 -0.81 0.15 116.57 120.95 2a7m h LYS 225 Ca 0.25 -0.05 -0.32 0.00 -1.87 0.00 0.00 60.65 58.67 2a7m h LYS 225 Cb 0.10 -0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.31 2a7m h LYS 225 CO -0.03 0.45 -1.45 0.87 -0.57 0.00 0.00 179.45 178.72 2a7m h LYS 226 N 0.66 0.48 0.00 3.15 1.57 -0.94 -3.40 116.57 118.09 2a7m h LYS 226 Ca 0.17 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 2a7m h LYS 226 Cb -0.03 0.31 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2a7m h LYS 226 CO -0.03 1.39 -1.38 0.39 -0.57 0.00 0.00 179.45 179.25 2a7m n GLU 227 N -3.76 0.97 -3.90 3.15 -0.58 0.52 -5.02 120.64 112.01 2a7m n GLU 227 Ca -0.18 -0.10 -0.31 0.00 -0.42 0.00 0.00 57.16 56.15 2a7m n GLU 227 Cb 1.06 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.60 2a7m n GLU 227 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2a7m n LYS 228 N -1.81 -1.92 -2.14 3.49 5.02 0.50 -4.88 118.16 116.42 2a7m n LYS 228 Ca -0.01 0.35 -0.27 0.00 -2.02 0.00 0.00 58.31 56.36 2a7m n LYS 228 Cb 0.36 -4.01 0.07 0.00 -0.02 0.00 0.00 35.03 31.42 2a7m n LYS 228 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2a7m s PRO 229 N -6.54 2.27 0.16 1.97 0.04 -1.26 -4.91 135.00 126.72 2a7m s PRO 229 Ca 0.25 -0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.93 2a7m s PRO 229 Cb -0.10 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 2a7m s PRO 229 CO 0.90 -1.24 0.77 0.96 0.04 0.00 0.00 177.00 178.42 2a7m s ILE 230 N -3.30 4.39 -0.09 0.56 -4.36 -0.68 -4.87 121.20 112.85 2a7m s ILE 230 Ca 0.60 1.68 0.04 0.00 -0.26 0.00 0.00 60.65 62.71 2a7m s ILE 230 Cb -0.11 -4.13 -0.01 0.00 1.25 0.00 0.00 42.46 39.46 2a7m s ILE 230 CO 0.46 0.52 -0.21 -0.63 0.24 0.00 0.00 174.94 175.32 2a7m s ILE 231 N -1.11 2.34 -0.06 8.37 1.01 -1.26 -0.58 121.20 129.91 2a7m s ILE 231 Ca 0.36 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2a7m s ILE 231 Cb -0.23 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2a7m s ILE 231 CO 0.26 0.56 -0.19 -0.36 0.00 0.00 0.00 174.94 175.21 2a7m s PHE 232 N 0.14 1.95 0.37 3.97 0.40 -0.24 -4.99 117.98 119.58 2a7m s PHE 232 Ca -0.11 -0.67 0.07 0.00 -0.60 0.00 0.00 56.93 55.62 2a7m s PHE 232 Cb -0.16 -1.33 -0.00 0.00 0.51 0.00 0.00 43.02 42.04 2a7m s PHE 232 CO 0.06 -0.26 0.49 -0.06 0.70 0.00 0.00 175.22 176.15 2a7m s PHE 233 N 0.25 2.96 0.09 0.36 0.08 -1.26 -1.51 117.98 118.95 2a7m s PHE 233 Ca -0.10 -0.31 -0.13 0.00 0.12 0.00 0.00 56.93 56.50 2a7m s PHE 233 Cb -0.15 -2.13 -0.18 0.00 -0.57 0.00 0.00 43.02 39.99 2a7m s PHE 233 CO 0.04 -0.15 1.27 0.78 -0.10 0.00 0.00 175.22 177.06 2a7m h GLY 234 N 0.84 0.85 -5.57 4.36 0.00 -0.76 -3.40 103.07 99.38 2a7m h GLY 234 Ca -0.43 -1.26 -0.39 0.00 0.00 0.00 0.00 47.33 45.24 2a7m h GLY 234 CO 0.51 1.12 -0.87 1.42 0.00 0.00 0.00 176.54 178.72 2a7m n HIS 235 N -3.93 -1.29 -3.85 5.60 8.25 -0.10 -4.75 115.22 115.15 2a7m n HIS 235 Ca -0.08 -3.00 -0.35 0.00 -0.26 0.00 0.00 57.72 54.03 2a7m n HIS 235 Cb 0.78 0.46 -0.13 0.00 1.12 0.00 0.00 29.99 32.22 2a7m n HIS 235 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2a7m s ASP 236 N -1.76 5.09 0.35 0.41 -1.08 -1.13 -4.54 116.67 114.01 2a7m s ASP 236 Ca 0.33 -1.97 0.03 0.00 -0.52 0.00 0.00 52.55 50.42 2a7m s ASP 236 Cb 0.28 -1.77 0.65 0.00 -1.46 0.00 0.00 42.92 40.62 2a7m s ASP 236 CO -0.10 -0.47 2.01 0.40 0.52 0.00 0.00 175.17 177.53 2a7m h ILE 237 N 6.44 1.15 0.23 4.11 2.04 -1.93 0.49 117.51 130.05 2a7m h ILE 237 Ca -0.12 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2a7m h ILE 237 Cb 1.04 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2a7m h ILE 237 CO 0.64 0.15 -0.11 -0.33 0.00 0.00 0.00 178.15 178.50 2a7m h GLU 238 N 0.85 -0.30 -0.86 2.37 4.39 -2.00 -3.23 114.58 115.79 2a7m h GLU 238 Ca 0.23 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2a7m h GLU 238 Cb -0.08 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2a7m h GLU 238 CO -0.05 0.07 0.49 0.37 -1.16 0.00 0.00 179.01 178.73 2a7m h GLN 239 N -0.80 1.19 -0.93 2.33 4.15 -1.96 -1.96 115.11 117.13 2a7m h GLN 239 Ca -0.03 -0.13 0.25 0.00 0.77 0.00 0.00 58.65 59.51 2a7m h GLN 239 Cb 0.51 -0.24 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 2a7m h GLN 239 CO 0.05 0.86 0.65 1.49 -1.93 0.00 0.00 178.83 179.94 2a7m h GLU 240 N 1.20 0.16 -0.24 1.69 4.81 -0.95 -0.76 114.58 120.49 2a7m h GLU 240 Ca 0.31 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.60 2a7m h GLU 240 Cb -0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2a7m h GLU 240 CO -0.05 0.11 0.17 0.87 -0.73 0.00 0.00 179.01 179.38 2a7m h LYS 241 N 0.17 0.00 -0.01 1.92 1.57 -1.37 -3.01 116.57 115.85 2a7m h LYS 241 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2a7m h LYS 241 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.87 2a7m h LYS 241 CO -0.09 0.00 -0.09 -1.13 -0.57 0.00 0.00 179.45 177.57 2a7m n SER 242 N -4.46 1.12 -4.73 0.86 3.41 -0.32 -5.02 113.62 104.48 2a7m n SER 242 Ca 0.03 -1.06 -0.42 0.00 -0.26 0.00 0.00 58.87 57.16 2a7m n SER 242 Cb 0.33 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 2a7m n SER 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a7m s ARG 244 N 0.73 3.92 0.32 0.00 0.52 -1.26 -5.02 118.95 118.16 2a7m s ARG 244 Ca 0.71 1.21 0.09 0.00 -0.52 0.00 0.00 55.73 57.22 2a7m s ARG 244 Cb -0.48 -3.87 -0.05 0.00 0.52 0.00 0.00 34.95 31.08 2a7m s ARG 244 CO 0.36 -1.11 0.06 0.14 0.02 0.00 0.00 175.30 174.78 2a7m s VAL 245 N 4.31 3.01 0.11 3.52 -7.23 -1.26 -4.45 120.40 118.41 2a7m s VAL 245 Ca 0.55 -1.84 -0.35 0.00 -1.81 0.00 0.00 61.98 58.53 2a7m s VAL 245 Cb -0.16 -2.88 -0.17 0.00 0.56 0.00 0.00 36.38 33.72 2a7m s VAL 245 CO 0.23 -0.24 1.05 0.33 -0.31 0.00 0.00 175.10 176.15 2a7m n PHE 246 N -1.02 0.82 1.49 2.82 -0.00 -0.35 -0.57 117.46 120.65 2a7m n PHE 246 Ca -0.04 0.84 0.10 0.00 -0.00 0.00 0.00 57.45 58.35 2a7m n PHE 246 Cb 0.61 -2.17 0.42 0.00 -0.00 0.00 0.00 39.48 38.34 2a7m n PHE 246 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 2a7m n PRO 247 N 1.63 1.48 -1.97 -7.13 -0.04 -1.26 -5.03 135.00 122.67 2a7m n PRO 247 Ca 0.17 -0.72 -0.32 0.00 -0.04 0.00 0.00 63.50 62.59 2a7m n PRO 247 Cb 0.19 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2a7m n PRO 247 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2a7m s GLU 248 N -1.86 3.27 0.15 0.54 2.56 0.27 -5.07 118.70 118.56 2a7m s GLU 248 Ca 0.30 1.15 -0.04 0.00 0.00 0.00 0.00 54.97 56.38 2a7m s GLU 248 Cb 0.15 -2.03 -0.03 0.00 2.00 0.00 0.00 34.13 34.23 2a7m s GLU 248 CO 0.24 -0.84 0.15 1.52 -0.56 0.00 0.00 175.26 175.77 2a7m s TYR 249 N -2.56 0.73 0.00 5.30 1.13 -1.26 -4.49 117.35 116.19 2a7m s TYR 249 Ca 0.62 -1.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 2a7m s TYR 249 Cb -0.15 -0.33 0.00 0.00 -1.10 0.00 0.00 41.96 40.38 2a7m s TYR 249 CO 0.40 -0.62 0.44 0.44 -2.51 0.00 0.00 175.55 173.70