#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa1 s TYR 9 N 0.00 3.48 -0.01 3.10 5.04 -0.31 -4.95 117.35 123.70 1xa1 s TYR 9 Ca 0.00 1.37 0.10 0.00 -2.44 0.00 0.00 57.07 56.10 1xa1 s TYR 9 Cb 0.00 -3.04 -0.15 0.00 0.35 0.00 0.00 41.96 39.12 1xa1 s TYR 9 CO 0.00 -0.18 0.21 0.36 -1.34 0.00 0.00 175.55 174.61 1xa1 n LYS 10 N 4.88 0.30 -1.69 4.97 0.00 -1.26 -4.82 118.16 120.54 1xa1 n LYS 10 Ca 0.05 -0.09 -0.44 0.00 -0.00 0.00 0.00 58.31 57.83 1xa1 n LYS 10 Cb 0.49 -1.23 -0.04 0.00 -0.00 0.00 0.00 35.03 34.26 1xa1 n LYS 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1xa1 n LYS 11 N -1.84 2.47 -1.96 -1.58 5.02 -1.26 -4.96 118.16 114.05 1xa1 n LYS 11 Ca -0.02 0.89 -0.34 0.00 -2.02 0.00 0.00 58.31 56.83 1xa1 n LYS 11 Cb 0.25 -2.70 0.03 0.00 -0.02 0.00 0.00 35.03 32.59 1xa1 n LYS 11 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xa1 s PRO 12 N 1.06 3.05 0.26 1.97 0.04 -1.26 -5.03 135.00 135.09 1xa1 s PRO 12 Ca 0.77 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 1xa1 s PRO 12 Cb -0.59 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 1xa1 s PRO 12 CO 0.35 -1.06 1.04 -0.51 0.04 0.00 0.00 177.00 176.86 1xa1 s LEU 13 N -4.46 4.58 -0.42 -3.56 1.43 -1.26 -4.98 118.68 110.01 1xa1 s LEU 13 Ca 0.68 2.14 0.04 0.00 -1.03 0.00 0.00 54.13 55.97 1xa1 s LEU 13 Cb -0.21 -3.62 0.48 0.00 0.03 0.00 0.00 46.19 42.87 1xa1 s LEU 13 CO 0.36 -0.04 1.58 1.41 0.23 0.00 0.00 176.35 179.89 1xa1 n HIS 14 N 1.38 2.49 -3.84 0.29 8.25 -1.26 -4.98 115.22 117.54 1xa1 n HIS 14 Ca -0.01 -2.30 -0.08 0.00 -0.26 0.00 0.00 57.72 55.06 1xa1 n HIS 14 Cb 0.46 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1xa1 n HIS 14 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xa1 s ASN 15 N -2.62 -0.07 0.36 0.41 4.22 -1.26 -5.14 114.94 110.83 1xa1 s ASN 15 Ca 0.54 -0.95 -0.28 0.00 -2.14 0.00 0.00 52.86 50.03 1xa1 s ASN 15 Cb 0.45 0.80 -0.12 0.00 1.28 0.00 0.00 41.25 43.66 1xa1 s ASN 15 CO 0.02 -1.55 1.39 0.47 -2.04 0.00 0.00 177.10 175.39 1xa1 n ASP 16 N -1.04 3.28 -3.75 3.54 10.43 -1.25 -4.91 116.55 122.85 1xa1 n ASP 16 Ca -0.06 1.22 -0.10 0.00 2.57 0.00 0.00 54.79 58.42 1xa1 n ASP 16 Cb 0.60 -1.55 -0.05 0.00 1.84 0.00 0.00 41.12 41.95 1xa1 n ASP 16 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1xa1 s TYR 17 N -1.11 -0.02 -0.04 1.24 -0.85 -1.26 -2.25 117.35 113.06 1xa1 s TYR 17 Ca 0.54 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 1xa1 s TYR 17 Cb -0.52 0.21 0.03 0.00 0.38 0.00 0.00 41.96 42.05 1xa1 s TYR 17 CO 0.63 -0.76 -0.01 -1.14 -1.52 0.00 0.00 175.55 172.75 1xa1 s GLN 18 N -3.86 0.47 0.04 -3.49 0.74 -0.08 -4.94 119.66 108.52 1xa1 s GLN 18 Ca 0.08 0.03 -0.28 0.00 0.05 0.00 0.00 55.36 55.23 1xa1 s GLN 18 Cb 0.01 -0.61 -0.04 0.00 1.10 0.00 0.00 33.01 33.47 1xa1 s GLN 18 CO -0.07 -0.13 0.91 0.42 -0.55 0.00 0.00 175.29 175.87 1xa1 s ILE 19 N 1.04 4.75 0.28 -2.34 -1.09 -1.26 -1.00 121.20 121.57 1xa1 s ILE 19 Ca -0.09 1.93 0.09 0.00 -2.23 0.00 0.00 60.65 60.35 1xa1 s ILE 19 Cb -0.14 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1xa1 s ILE 19 CO -0.01 0.25 0.02 -0.76 -1.23 0.00 0.00 174.94 173.21 1xa1 s LEU 20 N 0.48 3.20 -0.26 2.97 1.43 0.13 -4.87 118.68 121.77 1xa1 s LEU 20 Ca 0.47 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1xa1 s LEU 20 Cb -0.21 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.37 1xa1 s LEU 20 CO 0.27 -0.05 -0.00 -0.62 0.23 0.00 0.00 176.35 176.17 1xa1 s ASP 21 N -3.70 3.88 -0.20 2.29 2.15 -1.26 -4.35 116.67 115.47 1xa1 s ASP 21 Ca 0.32 -1.33 0.12 0.00 0.43 0.00 0.00 52.55 52.09 1xa1 s ASP 21 Cb -0.06 -1.10 0.42 0.00 -0.30 0.00 0.00 42.92 41.88 1xa1 s ASP 21 CO 0.20 -0.29 1.22 0.29 -0.17 0.00 0.00 175.17 176.42 1xa1 n LYS 22 N 4.70 1.52 0.12 4.34 4.76 -1.26 -4.79 118.16 127.55 1xa1 n LYS 22 Ca -0.08 -3.25 0.10 0.00 -2.87 0.00 0.00 58.31 52.21 1xa1 n LYS 22 Cb 0.44 -1.55 0.60 0.00 -1.84 0.00 0.00 35.03 32.68 1xa1 n LYS 22 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1xa1 h SER 23 N 1.00 0.12 -0.18 4.39 4.64 -1.99 -2.23 113.55 119.30 1xa1 h SER 23 Ca -0.01 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1xa1 h SER 23 Cb 1.04 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1xa1 h SER 23 CO 0.00 0.08 0.09 0.50 -0.87 0.00 0.00 176.83 176.64 1xa1 h LYS 24 N 0.14 0.26 -0.53 4.77 3.11 -1.93 -2.91 116.57 119.48 1xa1 h LYS 24 Ca 0.11 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.82 1xa1 h LYS 24 Cb 0.27 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1xa1 h LYS 24 CO -0.02 0.28 -0.05 0.82 -2.81 0.00 0.00 179.45 177.68 1xa1 h ILE 25 N 0.17 1.26 0.00 2.00 2.04 -1.80 -2.89 117.51 118.28 1xa1 h ILE 25 Ca 0.06 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1xa1 h ILE 25 Cb 0.11 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1xa1 h ILE 25 CO -0.01 0.41 -0.09 -0.26 0.00 0.00 0.00 178.15 178.21 1xa1 h PHE 26 N 0.86 0.00 0.00 1.37 0.04 -1.45 -3.47 116.94 114.30 1xa1 h PHE 26 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1xa1 h PHE 26 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1xa1 h PHE 26 CO 0.04 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.24 1xa1 n GLY 27 N -0.85 4.10 0.00 -1.45 0.00 -1.10 -1.37 105.19 104.53 1xa1 n GLY 27 Ca -0.02 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1xa1 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xa1 n SER 28 N 7.40 0.00 -4.88 1.61 3.41 -1.26 -4.86 113.62 115.04 1xa1 n SER 28 Ca 0.00 -0.20 -0.31 0.00 -0.26 0.00 0.00 58.87 58.10 1xa1 n SER 28 Cb 0.00 -0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1xa1 n SER 28 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1xa1 s ASN 29 N -2.52 6.58 -0.04 4.04 0.01 -0.47 -4.57 114.94 117.98 1xa1 s ASN 29 Ca 0.29 0.86 0.01 0.00 -0.71 0.00 0.00 52.86 53.31 1xa1 s ASN 29 Cb 0.19 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 1xa1 s ASN 29 CO 0.43 -0.10 -0.04 -0.44 -1.51 0.00 0.00 177.10 175.43 1xa1 s SER 30 N -2.54 4.81 0.00 -1.22 0.01 -0.57 -4.85 113.70 109.34 1xa1 s SER 30 Ca 0.46 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1xa1 s SER 30 Cb -0.11 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1xa1 s SER 30 CO 0.23 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.82 1xa1 n GLY 31 N 1.86 -0.55 3.22 3.44 0.00 -1.26 -1.38 105.19 110.52 1xa1 n GLY 31 Ca -0.17 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1xa1 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xa1 s SER 32 N -4.00 0.19 -0.04 1.61 1.04 -0.51 -4.77 113.70 107.21 1xa1 s SER 32 Ca 0.00 -1.21 -0.03 0.00 0.48 0.00 0.00 55.95 55.19 1xa1 s SER 32 Cb 0.00 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1xa1 s SER 32 CO 0.00 -0.82 0.10 0.12 0.98 0.00 0.00 173.24 173.62 1xa1 s PHE 33 N -4.08 -0.10 -0.02 5.02 5.36 -0.96 -1.88 117.98 121.32 1xa1 s PHE 33 Ca 0.29 0.30 0.02 0.00 -0.96 0.00 0.00 56.93 56.57 1xa1 s PHE 33 Cb 0.06 -0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.72 1xa1 s PHE 33 CO 0.06 -0.09 -0.06 0.08 -1.46 0.00 0.00 175.22 173.75 1xa1 s VAL 34 N 0.51 0.52 0.05 3.12 1.01 -0.23 -0.71 120.40 124.67 1xa1 s VAL 34 Ca -0.04 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1xa1 s VAL 34 Cb -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1xa1 s VAL 34 CO -0.02 0.18 -0.10 -0.32 0.00 0.00 0.00 175.10 174.84 1xa1 s MET 35 N 0.34 0.63 -0.05 2.72 1.75 -0.24 -0.80 119.30 123.65 1xa1 s MET 35 Ca -0.04 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.62 1xa1 s MET 35 Cb -0.08 -0.48 0.02 0.00 2.84 0.00 0.00 34.83 37.12 1xa1 s MET 35 CO -0.00 0.10 -0.05 -0.47 -0.65 0.00 0.00 175.02 173.95 1xa1 s TYR 36 N -1.26 0.86 -0.19 4.11 5.04 0.48 -0.03 117.35 126.37 1xa1 s TYR 36 Ca -0.07 -0.26 -0.17 0.00 -2.44 0.00 0.00 57.07 54.13 1xa1 s TYR 36 Cb -0.09 -0.74 -0.04 0.00 0.35 0.00 0.00 41.96 41.44 1xa1 s TYR 36 CO 0.01 -0.22 0.45 0.45 -1.34 0.00 0.00 175.55 174.90 1xa1 s SER 37 N 0.95 6.51 0.13 4.32 0.15 -0.43 -1.16 113.70 124.17 1xa1 s SER 37 Ca -0.10 0.61 -0.15 0.00 0.70 0.00 0.00 55.95 57.01 1xa1 s SER 37 Cb -0.14 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1xa1 s SER 37 CO 0.00 -0.09 1.59 0.24 1.20 0.00 0.00 173.24 176.18 1xa1 h MET 38 N 7.28 0.70 -0.37 5.44 0.00 -1.44 -0.93 114.93 125.61 1xa1 h MET 38 Ca -0.36 -0.21 -0.05 0.00 0.00 0.00 0.00 59.70 59.08 1xa1 h MET 38 Cb 1.16 -0.07 -0.01 0.00 0.00 0.00 0.00 31.60 32.67 1xa1 h MET 38 CO 0.73 0.76 0.04 -0.22 0.00 0.00 0.00 176.91 178.22 1xa1 h LYS 39 N 0.55 0.63 0.00 1.72 3.64 -1.92 -3.13 116.57 118.05 1xa1 h LYS 39 Ca 0.12 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1xa1 h LYS 39 Cb 0.42 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xa1 h LYS 39 CO 0.01 0.72 -0.42 1.63 -2.27 0.00 0.00 179.45 179.12 1xa1 n LYS 40 N -4.52 0.09 -3.81 1.90 5.02 -1.23 -4.96 118.16 110.67 1xa1 n LYS 40 Ca -0.01 0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 1xa1 n LYS 40 Cb 0.25 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1xa1 n LYS 40 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xa1 n ASP 41 N -1.71 -3.09 -3.81 4.39 4.64 -0.36 -4.89 116.55 111.72 1xa1 n ASP 41 Ca 0.05 -1.02 -0.17 0.00 -1.38 0.00 0.00 54.79 52.28 1xa1 n ASP 41 Cb 0.37 -3.21 -0.16 0.00 -1.04 0.00 0.00 41.12 37.08 1xa1 n ASP 41 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 1xa1 s LYS 42 N -6.27 0.25 0.24 -0.67 2.20 -1.14 -3.80 119.74 110.54 1xa1 s LYS 42 Ca 0.27 0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.89 1xa1 s LYS 42 Cb -0.10 -0.44 -0.06 0.00 -1.51 0.00 0.00 37.83 35.71 1xa1 s LYS 42 CO 0.87 -0.14 0.53 0.71 -0.36 0.00 0.00 175.35 176.97 1xa1 s TYR 43 N 1.02 3.45 -0.13 4.03 2.02 -0.95 -1.31 117.35 125.47 1xa1 s TYR 43 Ca -0.10 0.77 -0.01 0.00 -0.37 0.00 0.00 57.07 57.36 1xa1 s TYR 43 Cb -0.13 -2.19 0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1xa1 s TYR 43 CO -0.02 0.25 -0.03 0.71 -1.57 0.00 0.00 175.55 174.89 1xa1 s TYR 44 N -1.89 1.29 -0.11 2.71 2.02 0.96 -0.91 117.35 121.42 1xa1 s TYR 44 Ca 0.46 -0.73 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1xa1 s TYR 44 Cb -0.11 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 1xa1 s TYR 44 CO 0.24 -0.52 -0.13 0.42 -1.57 0.00 0.00 175.55 174.00 1xa1 s ILE 45 N 1.77 1.33 -0.31 2.71 1.01 -0.17 -1.07 121.20 126.47 1xa1 s ILE 45 Ca 0.03 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 1xa1 s ILE 45 Cb -0.14 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1xa1 s ILE 45 CO -0.07 0.41 0.21 -0.47 0.00 0.00 0.00 174.94 175.02 1xa1 s TYR 46 N 1.20 3.22 -0.25 3.97 6.14 0.12 0.21 117.35 131.95 1xa1 s TYR 46 Ca -0.03 -0.10 -0.00 0.00 0.64 0.00 0.00 57.07 57.58 1xa1 s TYR 46 Cb -0.14 -2.42 -0.00 0.00 0.42 0.00 0.00 41.96 39.81 1xa1 s TYR 46 CO -0.04 -0.28 0.23 -1.71 0.64 0.00 0.00 175.55 174.39 1xa1 n ASN 47 N 5.08 -3.84 -0.32 4.32 4.05 -1.26 -2.26 115.26 121.02 1xa1 n ASN 47 Ca -0.13 -0.04 -0.04 0.00 0.45 0.00 0.00 54.58 54.81 1xa1 n ASN 47 Cb 0.51 -2.36 0.09 0.00 1.23 0.00 0.00 39.78 39.24 1xa1 n ASN 47 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1xa1 h GLU 48 N 0.10 1.24 -0.06 1.20 4.81 -1.95 0.83 114.58 120.75 1xa1 h GLU 48 Ca -0.02 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1xa1 h GLU 48 Cb 1.01 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1xa1 h GLU 48 CO 0.10 0.93 0.02 0.87 -0.73 0.00 0.00 179.01 180.20 1xa1 h LYS 49 N 1.23 0.09 -0.38 1.92 6.56 -1.99 -2.09 116.57 121.92 1xa1 h LYS 49 Ca 0.30 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.90 1xa1 h LYS 49 Cb 0.09 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 1xa1 h LYS 49 CO -0.04 0.25 0.25 1.49 -2.06 0.00 0.00 179.45 179.34 1xa1 h GLU 50 N -0.09 0.38 0.00 3.15 4.57 -1.87 -2.11 114.58 118.61 1xa1 h GLU 50 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xa1 h GLU 50 Cb 0.19 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1xa1 h GLU 50 CO -0.00 0.25 0.00 0.66 -1.18 0.00 0.00 179.01 178.74 1xa1 h SER 51 N 0.39 0.00 0.04 1.04 4.64 -0.22 -2.33 113.55 117.11 1xa1 h SER 51 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1xa1 h SER 51 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1xa1 h SER 51 CO -0.04 0.00 -0.62 0.54 -0.87 0.00 0.00 176.83 175.84 1xa1 n ARG 52 N -2.66 0.74 -2.46 4.77 1.74 -0.81 -0.84 116.66 117.14 1xa1 n ARG 52 Ca 0.02 -0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 56.08 1xa1 n ARG 52 Cb 0.28 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1xa1 n ARG 52 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xa1 s LYS 53 N -2.67 4.48 0.00 5.56 2.20 -0.88 -1.16 119.74 127.28 1xa1 s LYS 53 Ca 0.15 1.74 -0.20 0.00 -0.36 0.00 0.00 55.97 57.30 1xa1 s LYS 53 Cb 0.18 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1xa1 s LYS 53 CO 0.67 -0.16 0.57 1.03 -0.36 0.00 0.00 175.35 177.10 1xa1 s ARG 54 N 0.66 4.28 0.12 4.03 0.52 -1.26 -4.06 118.95 123.24 1xa1 s ARG 54 Ca 0.56 0.70 0.02 0.00 -0.52 0.00 0.00 55.73 56.48 1xa1 s ARG 54 Cb -0.29 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1xa1 s ARG 54 CO 0.31 0.41 -0.05 0.71 0.02 0.00 0.00 175.30 176.70 1xa1 s TYR 55 N -0.33 1.00 0.28 -0.53 2.02 -0.39 -4.73 117.35 114.68 1xa1 s TYR 55 Ca 0.30 -0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 55.77 1xa1 s TYR 55 Cb -0.18 -0.57 -0.12 0.00 -0.40 0.00 0.00 41.96 40.69 1xa1 s TYR 55 CO 0.17 -0.14 1.53 0.45 -1.57 0.00 0.00 175.55 175.98 1xa1 n SER 56 N -0.10 3.51 0.18 2.29 2.88 -1.26 -0.37 113.62 120.75 1xa1 n SER 56 Ca -0.11 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.72 1xa1 n SER 56 Cb 0.61 -1.54 0.49 0.00 -0.75 0.00 0.00 64.21 63.02 1xa1 n SER 56 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1xa1 h PRO 57 N 4.48 0.00 0.00 -1.46 0.13 -1.72 -3.46 132.00 129.97 1xa1 h PRO 57 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xa1 h PRO 57 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xa1 h PRO 57 CO 0.77 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.63 1xa1 n ASN 58 N -2.63 0.00 0.00 1.44 4.13 -0.08 -1.90 115.26 116.22 1xa1 n ASN 58 Ca 0.03 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.33 1xa1 n ASN 58 Cb 0.34 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.79 1xa1 n ASN 58 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xa1 n SER 59 N -0.12 0.00 0.28 6.41 7.64 -1.26 -1.88 113.62 124.69 1xa1 n SER 59 Ca 0.00 0.50 0.16 0.00 1.01 0.00 0.00 58.87 60.54 1xa1 n SER 59 Cb 0.00 -0.50 0.81 0.00 -1.01 0.00 0.00 64.21 63.51 1xa1 n SER 59 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xa1 h THR 60 N 0.00 0.33 0.00 0.44 1.35 -1.40 -1.75 112.91 111.89 1xa1 h THR 60 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1xa1 h THR 60 Cb 0.17 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1xa1 h THR 60 CO 0.00 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.34 1xa1 n TYR 61 N -3.41 0.55 0.21 4.73 9.36 -0.79 -2.09 117.16 125.72 1xa1 n TYR 61 Ca -0.01 0.20 0.15 0.00 3.32 0.00 0.00 57.90 61.55 1xa1 n TYR 61 Cb 0.22 -0.83 0.77 0.00 -0.63 0.00 0.00 39.34 38.88 1xa1 n TYR 61 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1xa1 h LYS 62 N 0.00 0.00 -0.36 2.98 1.57 -1.52 -0.19 116.57 119.05 1xa1 h LYS 62 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1xa1 h LYS 62 Cb 0.41 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.66 1xa1 h LYS 62 CO 0.00 0.00 -0.01 0.82 -0.57 0.00 0.00 179.45 179.69 1xa1 h ILE 63 N 0.00 0.72 -0.03 1.86 2.04 -1.62 -1.32 117.51 119.17 1xa1 h ILE 63 Ca 0.07 -0.03 -0.21 0.00 1.00 0.00 0.00 64.86 65.69 1xa1 h ILE 63 Cb 0.34 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1xa1 h ILE 63 CO -0.00 0.02 -0.88 1.88 0.00 0.00 0.00 178.15 179.16 1xa1 h TYR 64 N 0.09 0.61 -0.58 1.37 0.05 -1.28 -2.49 116.97 114.74 1xa1 h TYR 64 Ca 0.17 -0.31 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 1xa1 h TYR 64 Cb 0.25 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1xa1 h TYR 64 CO -0.26 1.12 0.16 -0.07 -1.05 0.00 0.00 178.16 178.06 1xa1 h LEU 65 N 0.25 0.83 -0.08 3.88 3.38 -1.12 0.63 115.31 123.08 1xa1 h LEU 65 Ca -0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xa1 h LEU 65 Cb 1.50 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1xa1 h LEU 65 CO 0.15 0.80 0.04 0.00 0.09 0.00 0.00 178.44 179.52 1xa1 h ALA 66 N 1.31 0.10 -0.70 1.53 0.00 -1.19 -0.34 119.26 119.99 1xa1 h ALA 66 Ca 0.19 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1xa1 h ALA 66 Cb 0.29 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xa1 h ALA 66 CO -0.00 -0.36 0.44 1.98 0.00 0.00 0.00 179.25 181.30 1xa1 h MET 67 N 0.04 0.83 -0.50 0.00 1.85 -1.01 -0.76 114.93 115.38 1xa1 h MET 67 Ca 0.03 -0.05 -0.12 0.00 -0.61 0.00 0.00 59.70 58.95 1xa1 h MET 67 Cb 0.08 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 1xa1 h MET 67 CO -0.00 0.55 -0.16 0.74 -0.40 0.00 0.00 176.91 177.64 1xa1 h PHE 68 N 0.86 1.12 -0.67 1.39 0.04 -0.75 0.33 116.94 119.24 1xa1 h PHE 68 Ca 0.28 -0.25 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1xa1 h PHE 68 Cb 0.01 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 1xa1 h PHE 68 CO -0.04 1.06 0.15 0.78 -0.60 0.00 0.00 178.31 179.66 1xa1 h GLY 69 N 0.92 1.16 0.84 -1.45 0.00 -0.82 0.19 103.07 103.90 1xa1 h GLY 69 Ca 0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1xa1 h GLY 69 CO 0.06 0.68 0.02 1.41 0.00 0.00 0.00 176.54 178.70 1xa1 h LEU 70 N 1.02 0.36 -1.26 3.11 3.38 -0.94 0.10 115.31 121.09 1xa1 h LEU 70 Ca 0.21 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1xa1 h LEU 70 Cb 0.38 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1xa1 h LEU 70 CO 0.00 0.56 0.05 -0.78 0.09 0.00 0.00 178.44 178.36 1xa1 h ASP 71 N 0.15 0.52 -0.10 -0.43 3.58 -0.68 -1.74 116.42 117.71 1xa1 h ASP 71 Ca 0.06 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1xa1 h ASP 71 Cb 0.36 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1xa1 h ASP 71 CO 0.01 0.55 0.00 0.54 -2.88 0.00 0.00 179.24 177.46 1xa1 n ARG 72 N -4.31 1.65 -2.04 0.28 5.12 0.03 -4.93 116.66 112.46 1xa1 n ARG 72 Ca 0.02 -0.96 -0.19 0.00 -1.93 0.00 0.00 57.85 54.79 1xa1 n ARG 72 Cb 0.22 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 1xa1 n ARG 72 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1xa1 n HIS 73 N 0.17 -0.55 -0.13 -1.55 8.25 -0.66 -4.87 115.22 115.89 1xa1 n HIS 73 Ca 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 1xa1 n HIS 73 Cb 0.32 -3.49 0.02 0.00 1.12 0.00 0.00 29.99 27.95 1xa1 n HIS 73 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1xa1 h ILE 74 N 0.00 1.27 -3.26 1.59 2.04 -1.06 -3.44 117.51 114.65 1xa1 h ILE 74 Ca -0.42 -1.43 -0.36 0.00 1.00 0.00 0.00 64.86 63.64 1xa1 h ILE 74 Cb 1.29 1.22 -0.15 0.00 -0.74 0.00 0.00 36.82 38.44 1xa1 h ILE 74 CO 0.54 0.49 -0.72 0.27 0.00 0.00 0.00 178.15 178.73 1xa1 s ILE 75 N -4.57 1.33 0.16 -0.67 -4.36 -1.15 -5.00 121.20 106.94 1xa1 s ILE 75 Ca -0.11 -2.08 -0.02 0.00 -0.26 0.00 0.00 60.65 58.18 1xa1 s ILE 75 Cb 0.12 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.96 1xa1 s ILE 75 CO 0.87 -0.69 0.26 -0.46 0.24 0.00 0.00 174.94 175.16 1xa1 n ASN 76 N -0.20 -0.73 -0.23 4.36 0.23 -0.81 -4.23 115.26 113.66 1xa1 n ASN 76 Ca -0.10 -1.81 -0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1xa1 n ASN 76 Cb 0.60 1.30 0.22 0.00 -2.08 0.00 0.00 39.78 39.82 1xa1 n ASN 76 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1xa1 h ASP 77 N 0.89 0.90 0.49 0.53 3.04 -1.99 -2.93 116.42 117.35 1xa1 h ASP 77 Ca -0.13 -0.04 -0.24 0.00 -3.24 0.00 0.00 57.03 53.38 1xa1 h ASP 77 Cb 0.54 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 1xa1 h ASP 77 CO 0.17 0.68 -1.06 -0.08 -2.04 0.00 0.00 179.24 176.91 1xa1 h GLU 78 N 1.05 0.33 -1.59 4.15 4.57 -2.04 -3.44 114.58 117.60 1xa1 h GLU 78 Ca 0.28 -0.42 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 1xa1 h GLU 78 Cb -0.08 0.14 -0.27 0.00 -0.16 0.00 0.00 28.75 28.38 1xa1 h GLU 78 CO -0.06 1.13 -0.42 1.21 -1.18 0.00 0.00 179.01 179.70 1xa1 s ASN 79 N -7.09 -0.27 -0.10 1.04 2.47 -1.11 -4.97 114.94 104.91 1xa1 s ASN 79 Ca -0.05 0.34 0.14 0.00 0.42 0.00 0.00 52.86 53.72 1xa1 s ASN 79 Cb 0.08 1.45 0.21 0.00 -1.45 0.00 0.00 41.25 41.54 1xa1 s ASN 79 CO 0.87 -0.29 1.11 -1.54 -3.72 0.00 0.00 177.10 173.52 1xa1 n SER 80 N 5.38 2.23 -4.74 -4.21 3.41 -1.22 -1.92 113.62 112.54 1xa1 n SER 80 Ca -0.02 -2.80 -0.40 0.00 -0.26 0.00 0.00 58.87 55.38 1xa1 n SER 80 Cb 0.50 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1xa1 n SER 80 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xa1 s ARG 81 N -2.38 4.79 -0.03 4.33 0.52 -1.26 -3.56 118.95 121.37 1xa1 s ARG 81 Ca 0.24 1.50 0.03 0.00 -0.52 0.00 0.00 55.73 56.98 1xa1 s ARG 81 Cb 0.21 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.37 1xa1 s ARG 81 CO 0.02 0.39 -0.12 -1.64 0.02 0.00 0.00 175.30 173.97 1xa1 s MET 82 N -0.77 1.20 0.36 3.54 -1.94 0.34 -4.99 119.30 117.05 1xa1 s MET 82 Ca 0.43 -0.42 -0.26 0.00 -1.71 0.00 0.00 55.69 53.73 1xa1 s MET 82 Cb -0.25 -1.10 -0.09 0.00 2.01 0.00 0.00 34.83 35.40 1xa1 s MET 82 CO 0.32 0.19 1.10 -1.12 -0.01 0.00 0.00 175.02 175.50 1xa1 s SER 83 N 0.03 6.84 0.07 3.03 0.01 -1.26 -1.94 113.70 120.48 1xa1 s SER 83 Ca -0.01 2.20 -0.30 0.00 1.31 0.00 0.00 55.95 59.15 1xa1 s SER 83 Cb -0.08 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 1xa1 s SER 83 CO 0.01 -0.44 1.08 0.86 0.41 0.00 0.00 173.24 175.16 1xa1 s TRP 84 N -1.43 3.58 -2.00 2.43 -0.00 -1.26 -4.91 118.94 115.34 1xa1 s TRP 84 Ca 0.53 1.54 0.11 0.00 -0.00 0.00 0.00 56.10 58.29 1xa1 s TRP 84 Cb -0.28 -3.26 0.33 0.00 -0.00 0.00 0.00 33.47 30.27 1xa1 s TRP 84 CO 0.35 -0.59 1.27 0.27 -0.00 0.00 0.00 176.95 178.26 1xa1 n ASN 85 N 3.47 1.99 0.00 5.86 6.94 -1.26 -4.92 115.26 127.35 1xa1 n ASN 85 Ca 0.06 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 1xa1 n ASN 85 Cb 0.48 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 1xa1 n ASN 85 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1xa1 n HIS 86 N 0.59 0.00 -1.94 -2.53 8.25 -1.26 -5.01 115.22 113.32 1xa1 n HIS 86 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 1xa1 n HIS 86 Cb 0.31 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 1xa1 n HIS 86 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1xa1 s LYS 87 N -0.20 4.20 -0.02 -0.41 2.20 -1.26 -4.95 119.74 119.30 1xa1 s LYS 87 Ca 0.00 2.31 -0.30 0.00 -0.36 0.00 0.00 55.97 57.62 1xa1 s LYS 87 Cb 0.00 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1xa1 s LYS 87 CO 0.00 -0.75 1.26 -1.58 -0.36 0.00 0.00 175.35 173.92 1xa1 s HIS 88 N 2.89 3.13 0.23 4.03 5.65 -1.26 -4.87 115.29 125.09 1xa1 s HIS 88 Ca 0.74 1.11 0.08 0.00 0.25 0.00 0.00 55.06 57.24 1xa1 s HIS 88 Cb -0.39 -3.50 -0.04 0.00 -1.18 0.00 0.00 32.58 27.48 1xa1 s HIS 88 CO 0.32 -1.66 0.07 0.71 -0.65 0.00 0.00 174.74 173.53 1xa1 s TYR 89 N 2.06 2.89 -1.68 3.88 1.51 -1.26 -5.03 117.35 119.71 1xa1 s TYR 89 Ca 0.59 -0.15 0.24 0.00 -1.01 0.00 0.00 57.07 56.74 1xa1 s TYR 89 Cb -0.28 -1.33 1.31 0.00 -0.11 0.00 0.00 41.96 41.56 1xa1 s TYR 89 CO 0.25 0.56 1.80 -0.35 -1.11 0.00 0.00 175.55 176.70 1xa1 n PRO 90 N -0.75 0.53 -5.03 -1.71 -0.04 -1.26 -4.63 135.00 122.09 1xa1 n PRO 90 Ca -0.08 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.10 1xa1 n PRO 90 Cb 0.57 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.37 1xa1 n PRO 90 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xa1 s PHE 91 N -2.32 2.50 0.47 0.54 0.08 -1.26 -5.02 117.98 112.97 1xa1 s PHE 91 Ca 0.29 -1.08 0.14 0.00 0.12 0.00 0.00 56.93 56.40 1xa1 s PHE 91 Cb 0.16 -1.68 1.11 0.00 -0.57 0.00 0.00 43.02 42.04 1xa1 s PHE 91 CO 0.33 -0.46 2.06 -0.44 -0.10 0.00 0.00 175.22 176.61 1xa1 h ASP 92 N 6.89 0.22 0.03 1.36 3.32 -1.98 -1.72 116.42 124.54 1xa1 h ASP 92 Ca -0.23 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1xa1 h ASP 92 Cb 1.22 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1xa1 h ASP 92 CO 0.49 0.15 -0.01 0.00 -1.72 0.00 0.00 179.24 178.15 1xa1 h ALA 93 N 1.81 1.45 0.00 3.45 0.00 -1.96 -1.34 119.26 122.68 1xa1 h ALA 93 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xa1 h ALA 93 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xa1 h ALA 93 CO -0.03 0.01 -0.78 -1.49 0.00 0.00 0.00 179.25 176.96 1xa1 h TRP 94 N 0.00 0.00 -1.23 0.00 4.06 -1.70 -3.41 115.95 113.68 1xa1 h TRP 94 Ca -0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 1xa1 h TRP 94 Cb 0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 28.00 1xa1 h TRP 94 CO 0.00 0.00 0.61 0.09 -3.56 0.00 0.00 178.44 175.58 1xa1 n ASN 95 N -2.39 6.73 -3.67 -3.49 3.02 -0.50 -4.88 115.26 110.07 1xa1 n ASN 95 Ca 0.02 -3.30 -0.04 0.00 -0.03 0.00 0.00 54.58 51.23 1xa1 n ASN 95 Cb 0.49 -1.22 -0.01 0.00 -0.61 0.00 0.00 39.78 38.43 1xa1 n ASN 95 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1xa1 s LYS 96 N -2.07 0.96 0.41 3.52 -2.85 -1.26 -5.05 119.74 113.40 1xa1 s LYS 96 Ca 0.57 -0.49 -0.24 0.00 -1.00 0.00 0.00 55.97 54.81 1xa1 s LYS 96 Cb 0.38 0.35 -0.12 0.00 -2.06 0.00 0.00 37.83 36.38 1xa1 s LYS 96 CO -0.24 -0.44 0.80 -1.91 0.10 0.00 0.00 175.35 173.65 1xa1 n GLU 97 N -0.41 0.96 -4.25 1.78 2.13 -1.26 -4.37 120.64 115.22 1xa1 n GLU 97 Ca -0.07 0.34 -0.22 0.00 0.66 0.00 0.00 57.16 57.88 1xa1 n GLU 97 Cb 0.61 -1.77 -0.12 0.00 0.27 0.00 0.00 31.44 30.43 1xa1 n GLU 97 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1xa1 s GLN 98 N -1.78 1.03 0.37 5.31 -1.52 -0.82 -4.94 119.66 117.30 1xa1 s GLN 98 Ca 0.63 -1.11 0.02 0.00 -1.95 0.00 0.00 55.36 52.95 1xa1 s GLN 98 Cb -0.60 -1.18 0.02 0.00 -0.22 0.00 0.00 33.01 31.03 1xa1 s GLN 98 CO 0.57 0.27 0.13 -0.40 -0.25 0.00 0.00 175.29 175.61 1xa1 n ASP 99 N 1.08 2.63 -0.30 5.90 5.68 -1.26 -0.50 116.55 129.78 1xa1 n ASP 99 Ca -0.20 -2.45 -0.05 0.00 -0.50 0.00 0.00 54.79 51.60 1xa1 n ASP 99 Cb 0.54 0.12 0.07 0.00 -1.14 0.00 0.00 41.12 40.71 1xa1 n ASP 99 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1xa1 h LEU 100 N 0.00 1.08 -0.16 -2.12 5.85 -1.98 0.12 115.31 118.10 1xa1 h LEU 100 Ca -0.27 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1xa1 h LEU 100 Cb 0.89 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1xa1 h LEU 100 CO 0.44 0.93 0.03 0.78 -0.34 0.00 0.00 178.44 180.28 1xa1 h ASN 101 N 1.17 0.24 -0.19 1.25 2.35 -1.93 0.27 115.58 118.73 1xa1 h ASN 101 Ca 0.28 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 1xa1 h ASN 101 Cb 0.14 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1xa1 h ASN 101 CO -0.03 0.43 -0.40 0.71 -1.65 0.00 0.00 177.43 176.49 1xa1 h THR 102 N 0.05 1.29 -0.51 2.81 1.35 -1.90 -1.91 112.91 114.09 1xa1 h THR 102 Ca 0.05 -1.57 -0.09 0.00 -0.55 0.00 0.00 66.41 64.25 1xa1 h THR 102 Cb 0.28 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1xa1 h THR 102 CO 0.00 0.51 -0.04 0.00 -0.25 0.00 0.00 175.52 175.74 1xa1 h ALA 103 N 0.95 0.96 -0.25 6.62 0.00 -0.83 -1.04 119.26 125.68 1xa1 h ALA 103 Ca 0.05 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1xa1 h ALA 103 Cb 0.94 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xa1 h ALA 103 CO 0.09 0.62 -0.50 1.98 0.00 0.00 0.00 179.25 181.44 1xa1 h MET 104 N 0.82 0.77 -0.62 0.00 -1.53 -0.88 -0.59 114.93 112.90 1xa1 h MET 104 Ca 0.15 -0.50 -0.09 0.00 -3.44 0.00 0.00 59.70 55.81 1xa1 h MET 104 Cb 0.54 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.63 1xa1 h MET 104 CO 0.03 1.13 0.02 0.37 0.14 0.00 0.00 176.91 178.60 1xa1 h GLN 105 N 0.51 1.08 -0.44 0.39 4.15 -1.14 -3.02 115.11 116.65 1xa1 h GLN 105 Ca 0.01 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1xa1 h GLN 105 Cb 1.11 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1xa1 h GLN 105 CO 0.11 1.04 0.00 0.09 -1.93 0.00 0.00 178.83 178.14 1xa1 n ASN 106 N -4.18 3.36 -3.88 -0.69 3.02 -0.41 -4.97 115.26 107.50 1xa1 n ASN 106 Ca 0.03 -1.95 -0.25 0.00 -0.03 0.00 0.00 54.58 52.38 1xa1 n ASN 106 Cb 0.34 -0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1xa1 n ASN 106 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1xa1 n SER 107 N 1.27 -1.12 -4.58 6.41 2.88 -0.32 -4.85 113.62 113.31 1xa1 n SER 107 Ca 0.18 -0.93 -0.42 0.00 -1.33 0.00 0.00 58.87 56.37 1xa1 n SER 107 Cb 0.55 -3.43 -0.03 0.00 -0.75 0.00 0.00 64.21 60.55 1xa1 n SER 107 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xa1 s VAL 108 N -3.77 3.79 0.25 2.46 1.01 -0.66 -4.91 120.40 118.56 1xa1 s VAL 108 Ca 0.10 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 1xa1 s VAL 108 Cb -0.05 -4.36 0.23 0.00 0.00 0.00 0.00 36.38 32.20 1xa1 s VAL 108 CO 0.86 -1.06 1.84 0.78 0.00 0.00 0.00 175.10 177.52 1xa1 h ASN 109 N 11.17 0.83 0.13 3.32 2.35 -1.90 -2.85 115.58 128.63 1xa1 h ASN 109 Ca -0.27 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1xa1 h ASN 109 Cb 1.10 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1xa1 h ASN 109 CO 1.16 0.51 -0.20 4.11 -1.65 0.00 0.00 177.43 181.36 1xa1 h TRP 110 N 0.95 0.15 -0.04 1.19 5.08 -1.99 0.42 115.95 121.71 1xa1 h TRP 110 Ca 0.40 -0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.35 1xa1 h TRP 110 Cb 0.25 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 26.36 1xa1 h TRP 110 CO -0.03 0.34 0.02 -0.92 -1.28 0.00 0.00 178.44 176.56 1xa1 h TYR 111 N 0.13 0.07 0.00 0.12 5.03 -1.92 -0.53 116.97 119.87 1xa1 h TYR 111 Ca 0.02 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.18 1xa1 h TYR 111 Cb 0.43 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 1xa1 h TYR 111 CO 0.00 0.20 -0.69 0.74 -1.32 0.00 0.00 178.16 177.09 1xa1 h PHE 112 N -0.08 0.00 -0.59 -3.82 0.04 -1.35 -2.32 116.94 108.81 1xa1 h PHE 112 Ca 0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1xa1 h PHE 112 Cb 0.16 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1xa1 h PHE 112 CO -0.02 0.69 0.26 0.93 -0.60 0.00 0.00 178.31 179.57 1xa1 h GLU 113 N 0.00 0.87 -0.93 1.51 5.08 -0.85 0.16 114.58 120.43 1xa1 h GLU 113 Ca -0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1xa1 h GLU 113 Cb 1.26 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1xa1 h GLU 113 CO 0.09 0.72 0.55 -0.09 -1.00 0.00 0.00 179.01 179.28 1xa1 h ARG 114 N 0.81 1.27 0.51 2.33 2.43 -0.83 0.35 114.38 121.25 1xa1 h ARG 114 Ca 0.20 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1xa1 h ARG 114 Cb 0.16 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1xa1 h ARG 114 CO -0.02 0.89 -0.24 0.82 -1.51 0.00 0.00 179.97 179.90 1xa1 h ILE 115 N 1.28 0.49 -1.00 1.20 2.04 -1.18 -3.26 117.51 117.08 1xa1 h ILE 115 Ca 0.33 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 66.15 1xa1 h ILE 115 Cb -0.04 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1xa1 h ILE 115 CO -0.06 0.02 0.65 -1.28 0.00 0.00 0.00 178.15 177.48 1xa1 h SER 116 N -0.74 1.07 0.30 1.72 0.87 -0.60 -0.50 113.55 115.66 1xa1 h SER 116 Ca -0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1xa1 h SER 116 Cb 0.55 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1xa1 h SER 116 CO 0.11 0.72 0.00 0.44 -0.53 0.00 0.00 176.83 177.57 1xa1 h ASP 117 N 1.23 0.00 0.09 6.23 3.32 -0.98 -1.38 116.42 124.93 1xa1 h ASP 117 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1xa1 h ASP 117 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1xa1 h ASP 117 CO -0.14 0.00 -0.34 0.00 -1.72 0.00 0.00 179.24 177.04 1xa1 n GLN 118 N -2.82 1.13 -3.49 3.56 6.02 -0.20 -4.90 117.38 116.68 1xa1 n GLN 118 Ca -0.01 -0.83 -0.38 0.00 -0.01 0.00 0.00 57.00 55.77 1xa1 n GLN 118 Cb 0.13 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.82 1xa1 n GLN 118 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xa1 s ILE 119 N -2.44 5.25 0.35 5.09 1.01 -0.52 -5.05 121.20 124.88 1xa1 s ILE 119 Ca 0.22 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1xa1 s ILE 119 Cb 0.19 -3.63 -0.11 0.00 0.01 0.00 0.00 42.46 38.92 1xa1 s ILE 119 CO 0.52 0.25 1.46 -2.84 0.00 0.00 0.00 174.94 174.33 1xa1 s PRO 120 N 1.55 4.16 0.25 2.79 0.02 -1.26 -4.90 135.00 137.62 1xa1 s PRO 120 Ca 0.13 2.49 -0.03 0.00 0.02 0.00 0.00 61.00 63.61 1xa1 s PRO 120 Cb -0.15 -3.00 0.52 0.00 0.02 0.00 0.00 34.50 31.89 1xa1 s PRO 120 CO 0.08 -0.48 1.69 -0.22 -0.33 0.00 0.00 177.00 177.74 1xa1 h LYS 121 N 3.42 0.30 -0.17 5.54 3.64 -1.97 -1.65 116.57 125.69 1xa1 h LYS 121 Ca -0.50 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.79 1xa1 h LYS 121 Cb 1.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1xa1 h LYS 121 CO 0.67 0.20 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.89 1xa1 h ASN 122 N 0.30 0.30 0.02 4.20 4.21 -1.99 -0.55 115.58 122.08 1xa1 h ASN 122 Ca 0.45 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.86 1xa1 h ASN 122 Cb 0.78 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1xa1 h ASN 122 CO -0.51 0.55 -0.01 0.22 -1.29 0.00 0.00 177.43 176.39 1xa1 h TYR 123 N 0.27 -0.03 -0.62 1.19 5.03 -1.69 -1.98 116.97 119.14 1xa1 h TYR 123 Ca 0.04 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1xa1 h TYR 123 Cb 0.59 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 1xa1 h TYR 123 CO 0.01 0.16 0.40 1.15 -1.32 0.00 0.00 178.16 178.56 1xa1 h THR 124 N -0.21 1.17 -0.74 1.81 2.02 -0.93 -1.18 112.91 114.84 1xa1 h THR 124 Ca -0.00 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.88 1xa1 h THR 124 Cb 0.20 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 1xa1 h THR 124 CO 0.01 0.16 0.47 0.00 0.37 0.00 0.00 175.52 176.53 1xa1 h ALA 125 N 1.22 0.96 -0.24 6.16 0.00 -1.06 -0.06 119.26 126.25 1xa1 h ALA 125 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xa1 h ALA 125 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xa1 h ALA 125 CO -0.05 0.28 0.12 1.15 0.00 0.00 0.00 179.25 180.75 1xa1 h THR 126 N 0.94 1.14 -0.22 0.00 2.02 -0.90 -1.49 112.91 114.40 1xa1 h THR 126 Ca 0.29 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1xa1 h THR 126 Cb -0.02 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1xa1 h THR 126 CO -0.10 0.13 0.11 1.56 0.37 0.00 0.00 175.52 177.60 1xa1 h GLN 127 N 0.26 0.23 -0.47 6.66 1.08 -0.71 -1.26 115.11 120.90 1xa1 h GLN 127 Ca 0.08 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1xa1 h GLN 127 Cb 0.11 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1xa1 h GLN 127 CO -0.01 0.15 0.07 -0.07 -0.95 0.00 0.00 178.83 178.02 1xa1 h LEU 128 N 0.23 0.68 -0.22 1.46 3.38 -0.87 0.25 115.31 120.23 1xa1 h LEU 128 Ca 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1xa1 h LEU 128 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xa1 h LEU 128 CO -0.06 0.71 0.08 0.50 0.09 0.00 0.00 178.44 179.76 1xa1 h LYS 129 N 0.70 0.33 -0.36 1.13 3.64 -1.14 0.14 116.57 121.01 1xa1 h LYS 129 Ca 0.15 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1xa1 h LYS 129 Cb 0.33 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1xa1 h LYS 129 CO 0.01 0.40 -0.05 1.96 -2.27 0.00 0.00 179.45 179.50 1xa1 h GLN 130 N 0.19 0.59 0.00 1.90 4.20 -0.52 -2.58 115.11 118.89 1xa1 h GLN 130 Ca 0.07 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1xa1 h GLN 130 Cb 0.20 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1xa1 h GLN 130 CO -0.00 0.65 -0.31 1.28 -0.67 0.00 0.00 178.83 179.78 1xa1 n LEU 131 N -4.23 0.52 -3.66 1.46 4.77 0.82 -4.95 117.00 111.73 1xa1 n LEU 131 Ca 0.01 0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 56.10 1xa1 n LEU 131 Cb 0.29 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1xa1 n LEU 131 CO 0.40 -0.03 -0.00 0.59 -1.33 0.00 0.00 177.39 177.02 1xa1 n ASN 132 N -1.87 -1.89 -4.56 -1.43 5.03 -0.10 -4.77 115.26 105.67 1xa1 n ASN 132 Ca 0.05 -0.76 -0.41 0.00 0.87 0.00 0.00 54.58 54.33 1xa1 n ASN 132 Cb 0.39 -4.30 -0.03 0.00 -1.02 0.00 0.00 39.78 34.82 1xa1 n ASN 132 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1xa1 s TYR 133 N -3.56 2.47 0.00 3.10 5.04 -0.38 -4.94 117.35 119.08 1xa1 s TYR 133 Ca 0.09 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 1xa1 s TYR 133 Cb -0.04 -4.68 0.00 0.00 0.35 0.00 0.00 41.96 37.59 1xa1 s TYR 133 CO 0.79 -1.96 0.00 0.41 -1.34 0.00 0.00 175.55 173.45 1xa1 n GLY 134 N 6.61 3.01 0.03 8.97 0.00 -1.26 -1.72 105.19 120.83 1xa1 n GLY 134 Ca 0.28 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1xa1 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xa1 n ASN 135 N 2.32 0.18 -2.52 1.61 6.94 -0.36 -4.91 115.26 118.52 1xa1 n ASN 135 Ca 0.00 -0.12 -0.17 0.00 -0.02 0.00 0.00 54.58 54.27 1xa1 n ASN 135 Cb 0.00 -0.23 -0.00 0.00 -2.36 0.00 0.00 39.78 37.18 1xa1 n ASN 135 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1xa1 n LYS 136 N -1.26 -2.28 -3.35 -3.83 5.02 -0.70 -4.92 118.16 106.84 1xa1 n LYS 136 Ca 0.12 0.79 -0.44 0.00 -2.02 0.00 0.00 58.31 56.75 1xa1 n LYS 136 Cb 0.28 -5.44 -0.07 0.00 -0.02 0.00 0.00 35.03 29.78 1xa1 n LYS 136 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1xa1 s ASN 137 N -2.13 6.16 0.12 4.39 3.84 -1.26 -4.92 114.94 121.14 1xa1 s ASN 137 Ca 0.04 -1.29 0.26 0.00 0.21 0.00 0.00 52.86 52.08 1xa1 s ASN 137 Cb -0.02 -2.20 0.65 0.00 -0.55 0.00 0.00 41.25 39.13 1xa1 s ASN 137 CO 0.05 -0.69 1.57 0.18 -2.79 0.00 0.00 177.10 175.42 1xa1 n LEU 138 N 5.34 0.61 0.00 3.21 4.77 -1.26 -2.30 117.00 127.37 1xa1 n LEU 138 Ca -0.12 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1xa1 n LEU 138 Cb 0.44 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1xa1 n LEU 138 CO 0.48 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1xa1 n GLY 139 N 1.37 3.12 0.00 -0.72 0.00 -1.26 -0.55 105.19 107.15 1xa1 n GLY 139 Ca 0.05 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.98 1xa1 n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xa1 n SER 140 N 2.67 0.00 -3.72 1.61 3.41 -1.26 -4.89 113.62 111.45 1xa1 n SER 140 Ca 0.00 -0.41 -0.25 0.00 -0.26 0.00 0.00 58.87 57.95 1xa1 n SER 140 Cb 0.00 -0.10 0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1xa1 n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xa1 n TYR 141 N -1.10 -2.36 0.00 7.33 4.19 0.29 -4.96 117.16 120.54 1xa1 n TYR 141 Ca 0.13 0.93 0.00 0.00 3.31 0.00 0.00 57.90 62.27 1xa1 n TYR 141 Cb 0.10 -4.51 0.00 0.00 0.49 0.00 0.00 39.34 35.42 1xa1 n TYR 141 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1xa1 n LYS 142 N -4.61 0.00 -1.87 2.98 4.76 -1.26 -4.87 118.16 113.28 1xa1 n LYS 142 Ca -0.09 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.95 1xa1 n LYS 142 Cb 0.59 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.77 1xa1 n LYS 142 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1xa1 n SER 143 N 0.00 8.04 0.20 4.39 7.64 -1.26 -4.75 113.62 127.87 1xa1 n SER 143 Ca 0.00 -3.02 0.15 0.00 1.01 0.00 0.00 58.87 57.00 1xa1 n SER 143 Cb 0.00 -1.41 0.63 0.00 -1.01 0.00 0.00 64.21 62.43 1xa1 n SER 143 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1xa1 h TYR 144 N 4.74 0.00 -0.01 1.43 -0.00 -1.89 -1.46 116.97 119.78 1xa1 h TYR 144 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.46 1xa1 h TYR 144 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.04 1xa1 h TYR 144 CO 1.65 0.00 -0.16 -2.67 -0.00 0.00 0.00 178.16 176.98 1xa1 n TRP 145 N -2.61 0.00 -3.77 0.10 2.14 -1.26 -2.40 117.44 109.65 1xa1 n TRP 145 Ca 0.01 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.22 1xa1 n TRP 145 Cb 0.22 -0.09 -0.11 0.00 -0.81 0.00 0.00 31.31 30.52 1xa1 n TRP 145 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 1xa1 s MET 146 N -2.33 2.21 -1.41 -2.67 -1.94 -0.55 -0.91 119.30 111.71 1xa1 s MET 146 Ca 0.29 -2.16 -0.10 0.00 -1.71 0.00 0.00 55.69 52.02 1xa1 s MET 146 Cb 0.20 -3.62 0.01 0.00 2.01 0.00 0.00 34.83 33.43 1xa1 s MET 146 CO 0.45 -1.11 0.32 0.39 -0.01 0.00 0.00 175.02 175.06 1xa1 n GLU 147 N 4.05 -1.36 0.00 2.03 -0.58 -1.26 -4.90 120.64 118.62 1xa1 n GLU 147 Ca 0.02 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1xa1 n GLU 147 Cb 0.39 -3.60 0.00 0.00 -0.57 0.00 0.00 31.44 27.66 1xa1 n GLU 147 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1xa1 n ASP 148 N -2.73 0.00 0.09 1.62 2.03 -1.26 -5.07 116.55 111.23 1xa1 n ASP 148 Ca -0.26 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.89 1xa1 n ASP 148 Cb 0.66 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.96 1xa1 n ASP 148 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xa1 h SER 149 N 0.00 0.60 -3.30 1.67 4.64 -1.78 -3.45 113.55 111.93 1xa1 h SER 149 Ca 0.00 -0.55 -0.54 0.00 -0.47 0.00 0.00 61.79 60.23 1xa1 h SER 149 Cb 0.00 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1xa1 h SER 149 CO 0.00 1.38 0.47 -0.22 -0.87 0.00 0.00 176.83 177.58 1xa1 s LEU 150 N -7.60 4.37 -0.02 5.97 2.96 -0.97 -4.62 118.68 118.76 1xa1 s LEU 150 Ca -0.06 1.83 -0.04 0.00 -0.22 0.00 0.00 54.13 55.64 1xa1 s LEU 150 Cb 0.07 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.19 1xa1 s LEU 150 CO 0.89 -0.37 0.09 -0.54 -1.32 0.00 0.00 176.35 175.10 1xa1 s LYS 151 N 1.05 0.21 -0.07 1.98 1.02 -1.26 -3.99 119.74 118.68 1xa1 s LYS 151 Ca 0.55 -0.06 -0.16 0.00 0.02 0.00 0.00 55.97 56.32 1xa1 s LYS 151 Cb -0.25 0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.18 1xa1 s LYS 151 CO 0.28 -0.04 0.37 -1.50 -0.92 0.00 0.00 175.35 173.55 1xa1 s ILE 152 N -0.42 0.03 0.46 2.17 2.07 0.50 -1.22 121.20 124.79 1xa1 s ILE 152 Ca -0.05 -0.24 -0.03 0.00 -1.41 0.00 0.00 60.65 58.92 1xa1 s ILE 152 Cb -0.03 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 1xa1 s ILE 152 CO 0.00 -0.13 0.73 -0.94 -1.91 0.00 0.00 174.94 172.69 1xa1 s SER 153 N -0.68 6.09 0.22 4.50 1.04 -1.26 -1.26 113.70 122.35 1xa1 s SER 153 Ca -0.08 0.66 -0.08 0.00 0.48 0.00 0.00 55.95 56.93 1xa1 s SER 153 Cb -0.04 -1.98 0.32 0.00 0.10 0.00 0.00 66.02 64.42 1xa1 s SER 153 CO 0.03 -0.61 1.73 -1.13 0.98 0.00 0.00 173.24 174.24 1xa1 h ASN 154 N 0.32 0.18 -0.62 7.02 -0.00 -1.65 0.01 115.58 120.84 1xa1 h ASN 154 Ca -0.47 0.09 -0.08 0.00 -0.00 0.00 0.00 56.30 55.85 1xa1 h ASN 154 Cb 1.22 0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 39.61 1xa1 h ASN 154 CO 0.61 0.10 0.09 0.25 -0.00 0.00 0.00 177.43 178.47 1xa1 h LEU 155 N 0.38 1.00 -1.10 0.34 5.85 -1.36 -2.34 115.31 118.07 1xa1 h LEU 155 Ca 0.33 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1xa1 h LEU 155 Cb 0.45 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1xa1 h LEU 155 CO -0.35 1.01 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.37 1xa1 h GLU 156 N 0.95 0.57 -0.99 1.25 5.08 -1.67 -2.13 114.58 117.63 1xa1 h GLU 156 Ca 0.19 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1xa1 h GLU 156 Cb 0.44 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1xa1 h GLU 156 CO 0.01 0.64 0.64 1.96 -1.00 0.00 0.00 179.01 181.26 1xa1 h GLN 157 N 0.54 1.19 -0.01 2.33 1.08 -0.46 0.21 115.11 119.99 1xa1 h GLN 157 Ca 0.11 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1xa1 h GLN 157 Cb 0.43 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1xa1 h GLN 157 CO 0.02 0.79 -0.05 0.28 -0.95 0.00 0.00 178.83 178.92 1xa1 h VAL 158 N 1.23 1.50 -0.18 -0.54 2.07 -1.32 -2.59 116.25 116.42 1xa1 h VAL 158 Ca 0.40 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1xa1 h VAL 158 Cb 0.05 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1xa1 h VAL 158 CO -0.14 0.41 0.05 0.40 0.02 0.00 0.00 177.57 178.31 1xa1 h ILE 159 N -0.56 0.95 -0.30 4.57 2.04 -1.01 -1.37 117.51 121.83 1xa1 h ILE 159 Ca -0.00 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1xa1 h ILE 159 Cb 0.69 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1xa1 h ILE 159 CO 0.01 0.02 -0.02 0.58 0.00 0.00 0.00 178.15 178.75 1xa1 h VAL 160 N 0.13 1.26 -0.18 1.67 2.07 -0.69 -0.48 116.25 120.04 1xa1 h VAL 160 Ca 0.08 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1xa1 h VAL 160 Cb 0.05 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1xa1 h VAL 160 CO -0.09 0.32 0.08 0.15 0.02 0.00 0.00 177.57 178.05 1xa1 h PHE 161 N 0.32 0.27 -0.45 1.57 -0.00 -1.40 -0.35 116.94 116.89 1xa1 h PHE 161 Ca 0.08 -0.02 0.03 0.00 -0.00 0.00 0.00 57.97 58.06 1xa1 h PHE 161 Cb 0.46 -0.08 -0.03 0.00 -0.00 0.00 0.00 35.95 36.30 1xa1 h PHE 161 CO 0.04 0.31 0.25 -0.22 -0.00 0.00 0.00 178.31 178.69 1xa1 h LYS 162 N 0.14 0.49 -0.47 1.11 3.11 -1.21 -1.52 116.57 118.23 1xa1 h LYS 162 Ca 0.06 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1xa1 h LYS 162 Cb 0.15 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 1xa1 h LYS 162 CO -0.01 0.33 0.08 -0.91 -2.81 0.00 0.00 179.45 176.13 1xa1 h ASN 163 N 0.51 0.74 -0.62 4.20 -0.26 -0.96 0.07 115.58 119.27 1xa1 h ASN 163 Ca 0.19 -0.26 0.01 0.00 -0.56 0.00 0.00 56.30 55.69 1xa1 h ASN 163 Cb 0.05 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.08 1xa1 h ASN 163 CO -0.10 0.81 0.40 -0.03 -1.06 0.00 0.00 177.43 177.44 1xa1 h MET 164 N 0.65 0.77 0.08 0.81 4.05 -0.71 -2.08 114.93 118.50 1xa1 h MET 164 Ca 0.14 -0.05 -0.25 0.00 -0.28 0.00 0.00 59.70 59.27 1xa1 h MET 164 Cb 0.38 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1xa1 h MET 164 CO 0.01 0.51 -1.12 0.52 0.23 0.00 0.00 176.91 177.06 1xa1 h MET 165 N 0.80 0.21 0.00 0.39 2.86 -1.15 -3.40 114.93 114.64 1xa1 h MET 165 Ca 0.23 -0.33 -0.33 0.00 -2.06 0.00 0.00 59.70 57.22 1xa1 h MET 165 Cb -0.05 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 1xa1 h MET 165 CO -0.07 1.13 -2.24 0.39 1.06 0.00 0.00 176.91 177.18 1xa1 n GLU 166 N -3.52 0.97 -2.06 1.72 -0.58 -0.00 -4.94 120.64 112.23 1xa1 n GLU 166 Ca -0.06 0.02 -0.37 0.00 -0.42 0.00 0.00 57.16 56.34 1xa1 n GLU 166 Cb 0.97 -1.46 0.02 0.00 -0.57 0.00 0.00 31.44 30.40 1xa1 n GLU 166 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1xa1 s GLN 167 N -2.44 3.32 -1.52 3.49 -0.21 -0.79 -4.89 119.66 116.62 1xa1 s GLN 167 Ca -0.14 1.90 -0.12 0.00 0.02 0.00 0.00 55.36 57.02 1xa1 s GLN 167 Cb 0.06 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.87 1xa1 s GLN 167 CO 0.68 -0.95 2.51 -1.71 -2.12 0.00 0.00 175.29 173.71 1xa1 n ASN 168 N -1.03 5.80 -1.58 5.90 4.05 -1.26 -4.90 115.26 122.25 1xa1 n ASN 168 Ca 0.10 -2.74 0.00 0.00 0.45 0.00 0.00 54.58 52.39 1xa1 n ASN 168 Cb 0.48 -1.62 0.00 0.00 1.23 0.00 0.00 39.78 39.87 1xa1 n ASN 168 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1xa1 n ASN 169 N 5.07 0.00 -0.00 1.20 0.23 -1.26 -5.01 115.26 115.49 1xa1 n ASN 169 Ca 0.62 -0.68 0.13 0.00 -0.53 0.00 0.00 54.58 54.13 1xa1 n ASN 169 Cb 0.33 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.52 1xa1 n ASN 169 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xa1 n HIS 170 N -0.83 0.00 -2.50 -2.53 1.44 -1.26 -4.80 115.22 104.74 1xa1 n HIS 170 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 1xa1 n HIS 170 Cb 0.00 -0.40 -0.04 0.00 0.12 0.00 0.00 29.99 29.67 1xa1 n HIS 170 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xa1 s PHE 171 N -2.98 3.58 0.72 -1.40 0.40 -1.26 -5.00 117.98 112.03 1xa1 s PHE 171 Ca 0.14 1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 57.92 1xa1 s PHE 171 Cb 0.19 -3.29 0.03 0.00 0.51 0.00 0.00 43.02 40.46 1xa1 s PHE 171 CO 0.59 -0.66 1.09 -1.54 0.70 0.00 0.00 175.22 175.40 1xa1 s SER 172 N -0.02 4.83 0.23 1.36 1.04 -1.26 -4.90 113.70 114.98 1xa1 s SER 172 Ca 0.50 1.87 -0.06 0.00 0.48 0.00 0.00 55.95 58.75 1xa1 s SER 172 Cb -0.29 -2.53 0.23 0.00 0.10 0.00 0.00 66.02 63.52 1xa1 s SER 172 CO 0.35 -1.81 1.79 0.11 0.98 0.00 0.00 173.24 174.65 1xa1 h LYS 173 N -0.62 1.10 -0.17 4.02 1.57 -1.96 -2.17 116.57 118.34 1xa1 h LYS 173 Ca -0.45 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.07 1xa1 h LYS 173 Cb 1.23 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1xa1 h LYS 173 CO 0.53 0.91 -0.16 1.57 -0.57 0.00 0.00 179.45 181.73 1xa1 h LYS 174 N 1.06 0.29 -0.17 3.15 2.10 -1.99 -0.92 116.57 120.09 1xa1 h LYS 174 Ca 0.24 -0.08 -0.09 0.00 -2.00 0.00 0.00 60.65 58.73 1xa1 h LYS 174 Cb 0.24 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1xa1 h LYS 174 CO -0.02 0.45 -0.24 0.00 -2.00 0.00 0.00 179.45 177.65 1xa1 h ALA 175 N 1.57 0.26 -0.94 0.07 0.00 -1.85 -1.47 119.26 116.91 1xa1 h ALA 175 Ca 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1xa1 h ALA 175 Cb 0.44 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1xa1 h ALA 175 CO 0.03 0.23 0.56 0.87 0.00 0.00 0.00 179.25 180.93 1xa1 h LYS 176 N 0.10 1.28 -0.29 0.00 1.57 -1.10 -0.35 116.57 117.78 1xa1 h LYS 176 Ca 0.02 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.50 1xa1 h LYS 176 Cb 0.80 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1xa1 h LYS 176 CO 0.06 0.90 -0.50 -0.91 -0.57 0.00 0.00 179.45 178.42 1xa1 h ASN 177 N 1.30 0.91 -0.53 0.86 -0.26 -1.10 -0.48 115.58 116.28 1xa1 h ASN 177 Ca 0.33 -0.47 -0.08 0.00 -0.56 0.00 0.00 56.30 55.52 1xa1 h ASN 177 Cb -0.04 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.94 1xa1 h ASN 177 CO -0.06 1.25 0.00 -0.61 -1.06 0.00 0.00 177.43 176.95 1xa1 h GLN 178 N 0.65 0.93 0.08 0.81 4.15 -0.90 -1.59 115.11 119.25 1xa1 h GLN 178 Ca 0.03 -0.30 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 1xa1 h GLN 178 Cb 1.09 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1xa1 h GLN 178 CO 0.11 0.95 -0.04 1.25 -1.93 0.00 0.00 178.83 179.17 1xa1 h LEU 179 N 0.81 -0.09 -0.62 -2.39 5.85 -0.91 -2.49 115.31 115.46 1xa1 h LEU 179 Ca 0.15 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1xa1 h LEU 179 Cb 0.53 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 1xa1 h LEU 179 CO 0.03 0.03 0.17 0.28 -0.34 0.00 0.00 178.44 178.60 1xa1 h SER 180 N -0.21 0.09 -0.69 1.25 0.02 -0.91 -1.51 113.55 111.59 1xa1 h SER 180 Ca -0.01 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1xa1 h SER 180 Cb 0.17 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1xa1 h SER 180 CO 0.02 0.05 0.43 -1.28 -1.14 0.00 0.00 176.83 174.90 1xa1 h SER 181 N 0.31 0.83 0.84 3.07 0.87 -1.01 -0.97 113.55 117.49 1xa1 h SER 181 Ca 0.32 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1xa1 h SER 181 Cb 0.46 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1xa1 h SER 181 CO -0.38 0.64 -0.11 0.77 -0.53 0.00 0.00 176.83 177.21 1xa1 h SER 182 N 0.96 0.00 0.26 6.23 4.64 -0.85 -3.02 113.55 121.77 1xa1 h SER 182 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1xa1 h SER 182 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1xa1 h SER 182 CO -0.05 0.11 -0.43 0.18 -0.87 0.00 0.00 176.83 175.77 1xa1 n LEU 183 N -3.30 1.00 -4.70 5.97 4.77 -0.42 -4.51 117.00 115.81 1xa1 n LEU 183 Ca -0.00 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.29 1xa1 n LEU 183 Cb 0.34 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1xa1 n LEU 183 CO 0.30 0.20 1.33 -0.22 -1.33 0.00 0.00 177.39 177.67 1xa1 s LEU 184 N -2.70 4.37 -0.13 2.23 2.96 -0.87 -1.28 118.68 123.27 1xa1 s LEU 184 Ca 0.18 2.60 -0.04 0.00 -0.22 0.00 0.00 54.13 56.65 1xa1 s LEU 184 Cb 0.18 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.23 1xa1 s LEU 184 CO 0.62 -0.90 -0.15 -0.38 -1.32 0.00 0.00 176.35 174.22 1xa1 n ILE 185 N 4.45 0.71 -3.94 6.68 5.41 0.36 -4.94 119.36 128.10 1xa1 n ILE 185 Ca 0.16 -0.22 -0.12 0.00 1.00 0.00 0.00 62.75 63.57 1xa1 n ILE 185 Cb 0.39 -1.39 -0.13 0.00 -0.71 0.00 0.00 39.64 37.80 1xa1 n ILE 185 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1xa1 s LYS 186 N -2.24 0.14 -0.08 0.38 1.02 -0.83 -5.00 119.74 113.13 1xa1 s LYS 186 Ca -0.18 -0.17 -0.03 0.00 0.02 0.00 0.00 55.97 55.61 1xa1 s LYS 186 Cb 0.06 -0.05 0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1xa1 s LYS 186 CO 0.25 0.01 0.17 0.21 -0.92 0.00 0.00 175.35 175.07 1xa1 s LYS 187 N -0.36 0.10 0.04 1.68 2.20 -1.26 -0.74 119.74 121.40 1xa1 s LYS 187 Ca -0.03 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1xa1 s LYS 187 Cb -0.03 -0.18 -0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1xa1 s LYS 187 CO -0.00 -0.20 0.05 0.27 -0.36 0.00 0.00 175.35 175.11 1xa1 n ASN 188 N 4.51 -0.15 0.25 1.43 0.23 -0.31 -5.01 115.26 116.20 1xa1 n ASN 188 Ca -0.21 -1.24 0.09 0.00 -0.53 0.00 0.00 54.58 52.69 1xa1 n ASN 188 Cb 0.51 0.29 0.63 0.00 -2.08 0.00 0.00 39.78 39.13 1xa1 n ASN 188 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xa1 h GLU 189 N 0.00 0.00 0.09 -3.83 3.07 -2.01 -3.17 114.58 108.73 1xa1 h GLU 189 Ca -0.03 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.47 1xa1 h GLU 189 Cb 0.15 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1xa1 h GLU 189 CO 0.04 0.14 -1.99 1.63 -1.40 0.00 0.00 179.01 177.44 1xa1 n LYS 190 N -3.98 0.73 -3.55 2.33 5.02 -1.26 -4.92 118.16 112.54 1xa1 n LYS 190 Ca -0.02 0.26 -0.10 0.00 -2.02 0.00 0.00 58.31 56.42 1xa1 n LYS 190 Cb 0.23 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1xa1 n LYS 190 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1xa1 s TYR 191 N -2.56 -0.44 -0.15 2.13 1.13 -1.20 -3.93 117.35 112.34 1xa1 s TYR 191 Ca -0.20 0.16 -0.01 0.00 -1.41 0.00 0.00 57.07 55.61 1xa1 s TYR 191 Cb 0.07 0.60 0.04 0.00 -1.10 0.00 0.00 41.96 41.57 1xa1 s TYR 191 CO 0.77 -0.95 -0.03 -2.00 -2.51 0.00 0.00 175.55 170.82 1xa1 s GLU 192 N -3.78 1.20 -0.13 -3.49 2.12 -0.11 -1.16 118.70 113.35 1xa1 s GLU 192 Ca 0.04 -0.36 -0.02 0.00 0.36 0.00 0.00 54.97 54.99 1xa1 s GLU 192 Cb -0.02 -1.79 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 1xa1 s GLU 192 CO -0.07 -0.42 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.01 1xa1 s LEU 193 N 1.73 3.20 0.12 2.70 0.20 0.08 -0.77 118.68 125.93 1xa1 s LEU 193 Ca 0.02 -0.11 0.09 0.00 0.69 0.00 0.00 54.13 54.82 1xa1 s LEU 193 Cb -0.15 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1xa1 s LEU 193 CO -0.07 0.22 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.68 1xa1 s TYR 194 N 0.03 1.92 0.00 5.38 2.02 -0.04 -0.49 117.35 126.18 1xa1 s TYR 194 Ca -0.00 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1xa1 s TYR 194 Cb -0.13 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.39 1xa1 s TYR 194 CO 0.03 0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 1xa1 n GLY 195 N 0.95 0.15 2.99 0.71 0.00 -0.40 -1.83 105.19 107.75 1xa1 n GLY 195 Ca -0.18 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1xa1 n GLY 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xa1 s LYS 196 N -2.00 0.15 0.62 1.61 2.47 0.15 -4.77 119.74 117.97 1xa1 s LYS 196 Ca 0.00 0.44 -0.10 0.00 -1.56 0.00 0.00 55.97 54.75 1xa1 s LYS 196 Cb 0.00 -0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.21 1xa1 s LYS 196 CO 0.00 -0.16 1.00 0.95 0.16 0.00 0.00 175.35 177.30 1xa1 s THR 197 N 1.18 4.30 -0.08 3.43 -4.23 -1.26 -1.93 115.64 117.04 1xa1 s THR 197 Ca -0.09 0.57 -0.07 0.00 -1.18 0.00 0.00 61.69 60.93 1xa1 s THR 197 Cb -0.11 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.04 1xa1 s THR 197 CO -0.07 -0.89 0.21 -0.83 -0.54 0.00 0.00 174.62 172.50 1xa1 s GLY 198 N -4.23 -0.14 -0.04 3.99 0.00 -0.51 -3.42 107.32 102.97 1xa1 s GLY 198 Ca 0.55 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.89 1xa1 s GLY 198 CO 0.51 0.62 0.02 -1.59 0.00 0.00 0.00 173.10 172.67 1xa1 s THR 199 N 0.32 0.09 -0.14 0.90 2.01 -1.26 -0.49 115.64 117.07 1xa1 s THR 199 Ca -0.02 0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 1xa1 s THR 199 Cb -0.03 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1xa1 s THR 199 CO -0.01 0.17 0.07 -0.83 -0.69 0.00 0.00 174.62 173.33 1xa1 s GLY 200 N 1.57 1.97 -0.08 4.40 0.00 0.11 -4.78 107.32 110.50 1xa1 s GLY 200 Ca -0.02 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.01 1xa1 s GLY 200 CO -0.03 -0.21 -0.19 -0.42 0.00 0.00 0.00 173.10 172.25 1xa1 s ILE 201 N -0.32 1.68 -0.09 0.90 1.01 -1.26 -1.80 121.20 121.32 1xa1 s ILE 201 Ca 0.09 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1xa1 s ILE 201 Cb -0.12 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.90 1xa1 s ILE 201 CO 0.02 0.47 -0.09 -0.69 0.00 0.00 0.00 174.94 174.65 1xa1 s VAL 202 N 0.42 1.03 -1.52 2.92 1.01 -0.68 -4.79 120.40 118.79 1xa1 s VAL 202 Ca -0.16 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1xa1 s VAL 202 Cb -0.17 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.28 1xa1 s VAL 202 CO 0.06 0.35 0.61 0.59 0.00 0.00 0.00 175.10 176.71 1xa1 n ASN 203 N 4.36 -1.80 0.00 3.32 3.02 -1.26 -2.08 115.26 120.82 1xa1 n ASN 203 Ca -0.18 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1xa1 n ASN 203 Cb 0.51 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 1xa1 n ASN 203 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xa1 n GLY 204 N -1.75 1.26 3.37 7.41 0.00 -1.26 -5.00 105.19 109.21 1xa1 n GLY 204 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1xa1 n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xa1 s LYS 205 N -0.09 2.77 0.35 1.61 -0.14 -0.88 -5.09 119.74 118.26 1xa1 s LYS 205 Ca 0.00 -0.77 -0.29 0.00 -1.36 0.00 0.00 55.97 53.55 1xa1 s LYS 205 Cb 0.00 -2.37 -0.11 0.00 -1.68 0.00 0.00 37.83 33.67 1xa1 s LYS 205 CO 0.00 0.42 1.48 0.66 -0.76 0.00 0.00 175.35 177.14 1xa1 n TYR 206 N 2.90 2.83 -0.98 3.18 4.01 -1.26 -1.68 117.16 126.15 1xa1 n TYR 206 Ca -0.18 0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 1xa1 n TYR 206 Cb 0.52 -2.53 0.00 0.00 -0.31 0.00 0.00 39.34 37.03 1xa1 n TYR 206 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1xa1 n ASN 207 N 0.93 0.02 -3.15 7.72 6.94 -0.74 -4.66 115.26 122.32 1xa1 n ASN 207 Ca 0.04 -1.00 0.05 0.00 -0.02 0.00 0.00 54.58 53.64 1xa1 n ASN 207 Cb 0.38 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.79 1xa1 n ASN 207 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xa1 s ASN 208 N -0.00 -0.77 -0.07 0.53 2.47 -1.06 -4.74 114.94 111.30 1xa1 s ASN 208 Ca 0.00 0.32 0.04 0.00 0.42 0.00 0.00 52.86 53.64 1xa1 s ASN 208 Cb 0.00 1.58 -0.00 0.00 -1.45 0.00 0.00 41.25 41.38 1xa1 s ASN 208 CO 0.00 -0.14 -0.20 -0.83 -3.72 0.00 0.00 177.10 172.20 1xa1 s GLY 209 N 2.92 1.12 0.08 1.21 0.00 -0.63 0.06 107.32 112.08 1xa1 s GLY 209 Ca 0.11 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 44.07 1xa1 s GLY 209 CO -0.18 -0.32 -0.12 -0.98 0.00 0.00 0.00 173.10 171.50 1xa1 s TRP 210 N 0.22 1.15 -0.11 1.90 0.52 0.36 -0.31 118.94 122.67 1xa1 s TRP 210 Ca -0.11 -0.53 -0.04 0.00 0.02 0.00 0.00 56.10 55.44 1xa1 s TRP 210 Cb -0.15 -0.64 0.06 0.00 -1.15 0.00 0.00 33.47 31.59 1xa1 s TRP 210 CO 0.05 0.04 0.23 0.12 0.02 0.00 0.00 176.95 177.41 1xa1 s PHE 211 N -1.73 -0.34 -0.05 -1.98 5.36 -0.69 -1.42 117.98 117.14 1xa1 s PHE 211 Ca 0.01 0.85 0.05 0.00 -0.96 0.00 0.00 56.93 56.88 1xa1 s PHE 211 Cb -0.07 -0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.50 1xa1 s PHE 211 CO 0.02 -0.32 -0.21 0.14 -1.46 0.00 0.00 175.22 173.38 1xa1 s VAL 212 N 2.32 1.73 0.00 3.12 -7.23 -0.81 -1.21 120.40 118.32 1xa1 s VAL 212 Ca 0.01 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1xa1 s VAL 212 Cb -0.12 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.35 1xa1 s VAL 212 CO -0.08 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 1xa1 n GLY 213 N 3.01 1.77 3.20 2.32 0.00 -0.50 -0.67 105.19 114.32 1xa1 n GLY 213 Ca -0.18 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1xa1 n GLY 213 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xa1 s TYR 214 N -5.52 0.10 -0.02 1.61 1.13 -0.76 -1.04 117.35 112.84 1xa1 s TYR 214 Ca 0.00 -0.44 0.02 0.00 -1.41 0.00 0.00 57.07 55.24 1xa1 s TYR 214 Cb 0.00 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1xa1 s TYR 214 CO 0.00 -0.50 -0.07 0.54 -2.51 0.00 0.00 175.55 173.00 1xa1 s VAL 215 N -3.34 0.67 -0.25 -3.49 0.11 0.35 -0.86 120.40 113.60 1xa1 s VAL 215 Ca 0.01 -0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 58.68 1xa1 s VAL 215 Cb 0.02 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1xa1 s VAL 215 CO -0.08 0.22 0.10 -0.63 -3.33 0.00 0.00 175.10 171.38 1xa1 s ILE 216 N 0.27 4.68 0.57 7.04 1.01 0.05 -1.04 121.20 133.77 1xa1 s ILE 216 Ca -0.04 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1xa1 s ILE 216 Cb -0.08 -3.19 0.06 0.00 0.01 0.00 0.00 42.46 39.26 1xa1 s ILE 216 CO 0.00 0.33 0.53 0.42 0.00 0.00 0.00 174.94 176.22 1xa1 s THR 217 N 1.47 1.64 -0.30 2.92 -4.23 -0.30 -0.94 115.64 115.91 1xa1 s THR 217 Ca 0.06 -1.36 0.27 0.00 -1.18 0.00 0.00 61.69 59.48 1xa1 s THR 217 Cb -0.15 -2.00 0.30 0.00 1.34 0.00 0.00 72.50 71.99 1xa1 s THR 217 CO 0.05 0.00 1.80 0.78 -0.54 0.00 0.00 174.62 176.72 1xa1 h ASN 218 N 0.53 0.00 0.00 3.99 2.35 -1.92 -3.28 115.58 117.25 1xa1 h ASN 218 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1xa1 h ASN 218 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1xa1 h ASN 218 CO 0.52 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.71 1xa1 n HIS 219 N -2.53 0.00 -3.76 1.19 8.25 -1.26 -5.10 115.22 112.01 1xa1 n HIS 219 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1xa1 n HIS 219 Cb 0.27 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.38 1xa1 n HIS 219 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xa1 s ASP 220 N -0.18 -0.07 -0.03 0.41 3.68 -1.24 -4.94 116.67 114.29 1xa1 s ASP 220 Ca 0.00 -0.34 0.02 0.00 2.13 0.00 0.00 52.55 54.36 1xa1 s ASP 220 Cb 0.00 0.33 0.01 0.00 -1.45 0.00 0.00 42.92 41.80 1xa1 s ASP 220 CO 0.00 -0.62 -0.09 -0.75 0.13 0.00 0.00 175.17 173.84 1xa1 s LYS 221 N -2.57 1.01 -0.09 4.34 2.20 -1.26 -1.14 119.74 122.22 1xa1 s LYS 221 Ca 0.17 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1xa1 s LYS 221 Cb 0.01 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.40 1xa1 s LYS 221 CO 0.00 0.07 -0.21 0.71 -0.36 0.00 0.00 175.35 175.57 1xa1 s TYR 222 N 0.36 2.26 0.06 4.03 2.02 -0.21 -1.07 117.35 124.80 1xa1 s TYR 222 Ca -0.06 -0.93 -0.08 0.00 -0.37 0.00 0.00 57.07 55.63 1xa1 s TYR 222 Cb -0.10 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1xa1 s TYR 222 CO 0.01 -0.40 0.34 0.71 -1.57 0.00 0.00 175.55 174.64 1xa1 s TYR 223 N 0.48 3.57 0.14 2.71 1.51 -0.31 -0.49 117.35 124.95 1xa1 s TYR 223 Ca -0.17 0.67 -0.16 0.00 -1.01 0.00 0.00 57.07 56.40 1xa1 s TYR 223 Cb -0.17 -2.07 0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1xa1 s TYR 223 CO 0.07 0.55 0.42 -0.59 -1.11 0.00 0.00 175.55 174.88 1xa1 s PHE 224 N -1.39 -0.16 -0.21 2.71 -0.12 -0.21 -0.39 117.98 118.22 1xa1 s PHE 224 Ca 0.32 -0.17 -0.19 0.00 -0.05 0.00 0.00 56.93 56.84 1xa1 s PHE 224 Cb -0.13 0.27 0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1xa1 s PHE 224 CO 0.18 -0.74 0.54 0.00 -0.05 0.00 0.00 175.22 175.15 1xa1 s ALA 225 N -3.83 -1.35 -0.11 1.99 0.00 0.02 -1.41 121.76 117.07 1xa1 s ALA 225 Ca 0.05 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.55 1xa1 s ALA 225 Cb 0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1xa1 s ALA 225 CO -0.10 -0.26 -0.05 0.99 0.00 0.00 0.00 175.76 176.34 1xa1 s THR 226 N 0.35 3.79 -0.02 0.00 2.01 -0.35 -1.07 115.64 120.36 1xa1 s THR 226 Ca -0.01 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 61.65 1xa1 s THR 226 Cb -0.04 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1xa1 s THR 226 CO -0.00 0.55 -0.22 -2.28 -0.69 0.00 0.00 174.62 171.98 1xa1 s HIS 227 N -0.19 2.46 -0.10 4.92 2.46 -0.79 -1.70 115.29 122.36 1xa1 s HIS 227 Ca 0.03 -0.34 0.04 0.00 0.47 0.00 0.00 55.06 55.26 1xa1 s HIS 227 Cb -0.13 -1.52 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 1xa1 s HIS 227 CO 0.03 0.07 -0.24 -0.51 -2.47 0.00 0.00 174.74 171.62 1xa1 s LEU 228 N -0.80 2.08 -0.11 8.88 1.43 0.58 -1.43 118.68 129.31 1xa1 s LEU 228 Ca 0.11 -0.55 0.13 0.00 -1.03 0.00 0.00 54.13 52.79 1xa1 s LEU 228 Cb -0.10 -1.39 -0.19 0.00 0.03 0.00 0.00 46.19 44.54 1xa1 s LEU 228 CO 0.00 0.16 0.13 -1.54 0.23 0.00 0.00 176.35 175.33 1xa1 n SER 229 N 3.52 1.53 -3.82 2.29 3.41 -0.48 -1.60 113.62 118.47 1xa1 n SER 229 Ca -0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.33 1xa1 n SER 229 Cb 0.53 1.08 -0.07 0.00 -0.26 0.00 0.00 64.21 65.49 1xa1 n SER 229 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xa1 s ASP 230 N -4.46 0.05 0.00 4.04 1.11 -1.20 -4.64 116.67 111.56 1xa1 s ASP 230 Ca -0.07 -0.55 0.00 0.00 0.18 0.00 0.00 52.55 52.11 1xa1 s ASP 230 Cb 0.06 0.36 0.00 0.00 1.07 0.00 0.00 42.92 44.40 1xa1 s ASP 230 CO 0.59 -0.73 0.00 0.61 1.18 0.00 0.00 175.17 176.82 1xa1 n GLY 231 N 0.00 1.10 2.79 0.21 0.00 -1.26 -1.52 105.19 106.51 1xa1 n GLY 231 Ca -0.16 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1xa1 n GLY 231 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xa1 n LYS 232 N 0.00 1.59 -2.09 1.61 2.85 -1.26 -5.03 118.16 115.83 1xa1 n LYS 232 Ca 0.00 -4.27 -0.42 0.00 -1.05 0.00 0.00 58.31 52.56 1xa1 n LYS 232 Cb 0.00 -2.18 0.00 0.00 -0.65 0.00 0.00 35.03 32.21 1xa1 n LYS 232 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1xa1 n PRO 233 N 2.04 3.22 -4.03 -1.58 -0.04 -1.26 -4.78 135.00 128.58 1xa1 n PRO 233 Ca 0.22 -3.09 -0.22 0.00 -0.04 0.00 0.00 63.50 60.38 1xa1 n PRO 233 Cb 0.38 -3.13 -0.04 0.00 -0.04 0.00 0.00 33.50 30.66 1xa1 n PRO 233 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xa1 s SER 234 N 2.23 5.52 0.26 3.54 1.04 -1.26 -2.18 113.70 122.85 1xa1 s SER 234 Ca 0.44 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 1xa1 s SER 234 Cb 0.11 -1.32 0.33 0.00 0.10 0.00 0.00 66.02 65.24 1xa1 s SER 234 CO -0.04 -0.12 1.82 1.23 0.98 0.00 0.00 173.24 177.11 1xa1 h GLY 235 N 1.41 1.02 0.91 7.32 0.00 -1.73 -1.60 103.07 110.40 1xa1 h GLY 235 Ca -0.48 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.31 1xa1 h GLY 235 CO 0.60 0.53 0.39 1.70 0.00 0.00 0.00 176.54 179.77 1xa1 h LYS 236 N 0.92 0.76 -0.35 4.80 3.64 -1.87 0.22 116.57 124.69 1xa1 h LYS 236 Ca 0.21 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1xa1 h LYS 236 Cb 0.26 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1xa1 h LYS 236 CO -0.01 0.50 -0.35 -0.97 -2.27 0.00 0.00 179.45 176.35 1xa1 h ASN 237 N 0.78 0.85 -0.28 4.20 -0.00 -1.80 -1.61 115.58 117.72 1xa1 h ASN 237 Ca 0.24 -0.37 -0.05 0.00 -0.00 0.00 0.00 56.30 56.13 1xa1 h ASN 237 Cb -0.01 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.05 1xa1 h ASN 237 CO -0.09 1.12 0.04 0.00 -0.00 0.00 0.00 177.43 178.50 1xa1 h ALA 238 N 0.93 1.37 -0.15 1.57 0.00 -0.78 -0.69 119.26 121.51 1xa1 h ALA 238 Ca 0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1xa1 h ALA 238 Cb 0.91 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1xa1 h ALA 238 CO 0.08 0.44 -0.18 1.49 0.00 0.00 0.00 179.25 181.09 1xa1 h GLU 239 N 0.55 0.38 -0.33 0.00 4.81 -0.71 -0.93 114.58 118.36 1xa1 h GLU 239 Ca 0.12 -0.21 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1xa1 h GLU 239 Cb 0.29 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 1xa1 h GLU 239 CO 0.01 0.78 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.97 1xa1 h LEU 240 N 0.01 -0.19 -0.48 1.64 3.38 -1.04 -1.43 115.31 117.21 1xa1 h LEU 240 Ca 0.02 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xa1 h LEU 240 Cb 0.72 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1xa1 h LEU 240 CO 0.04 -0.06 0.20 0.40 0.09 0.00 0.00 178.44 179.12 1xa1 h ILE 241 N 0.06 1.20 -0.46 1.22 2.04 -1.12 -1.15 117.51 119.30 1xa1 h ILE 241 Ca 0.16 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.50 1xa1 h ILE 241 Cb 0.23 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 1xa1 h ILE 241 CO -0.29 0.23 -0.03 0.28 0.00 0.00 0.00 178.15 178.34 1xa1 h SER 242 N 0.63 -0.26 -0.08 1.72 0.02 -0.79 -0.53 113.55 114.27 1xa1 h SER 242 Ca 0.16 0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 61.11 1xa1 h SER 242 Cb 0.17 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1xa1 h SER 242 CO -0.02 -0.09 -0.34 -0.33 -1.14 0.00 0.00 176.83 174.91 1xa1 h GLU 243 N 0.08 0.57 -0.47 3.45 5.08 -0.97 -0.34 114.58 121.97 1xa1 h GLU 243 Ca 0.23 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1xa1 h GLU 243 Cb 0.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1xa1 h GLU 243 CO -0.41 0.83 0.04 0.87 -1.00 0.00 0.00 179.01 179.35 1xa1 h LYS 244 N 0.48 0.80 -0.25 2.33 1.57 -0.59 -1.77 116.57 119.15 1xa1 h LYS 244 Ca 0.05 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1xa1 h LYS 244 Cb 0.82 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1xa1 h LYS 244 CO 0.07 0.83 -0.03 0.82 -0.57 0.00 0.00 179.45 180.57 1xa1 h ILE 245 N 0.66 1.27 -0.99 1.86 2.04 -0.88 -0.80 117.51 120.67 1xa1 h ILE 245 Ca 0.14 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1xa1 h ILE 245 Cb 0.44 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1xa1 h ILE 245 CO 0.02 0.31 0.65 -0.07 0.00 0.00 0.00 178.15 179.05 1xa1 h LEU 246 N 0.21 1.08 -0.17 1.44 3.38 -0.99 -0.24 115.31 120.03 1xa1 h LEU 246 Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xa1 h LEU 246 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xa1 h LEU 246 CO 0.02 0.74 -0.00 0.50 0.09 0.00 0.00 178.44 179.78 1xa1 h LYS 247 N 1.25 0.30 -0.16 1.13 3.64 -1.19 -1.46 116.57 120.08 1xa1 h LYS 247 Ca 0.40 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1xa1 h LYS 247 Cb 0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1xa1 h LYS 247 CO -0.13 0.52 -0.10 1.49 -2.27 0.00 0.00 179.45 178.96 1xa1 h GLU 248 N 0.04 0.25 -0.01 1.90 4.22 -0.59 -1.98 114.58 118.42 1xa1 h GLU 248 Ca 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1xa1 h GLU 248 Cb 0.39 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1xa1 h GLU 248 CO 0.01 0.36 -0.02 -1.33 -2.18 0.00 0.00 179.01 175.85 1xa1 n MET 249 N -4.30 1.21 -0.64 1.92 2.81 -0.15 -4.91 117.12 113.07 1xa1 n MET 249 Ca -0.01 -0.44 0.00 0.00 -1.81 0.00 0.00 57.70 55.44 1xa1 n MET 249 Cb 0.25 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1xa1 n MET 249 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xa1 n GLY 250 N 1.12 0.67 0.18 3.03 0.00 -0.74 -4.95 105.19 104.51 1xa1 n GLY 250 Ca 0.20 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1xa1 n GLY 250 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xa1 h VAL 251 N 0.00 0.90 -0.31 1.61 2.07 -1.47 -3.27 116.25 115.79 1xa1 h VAL 251 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1xa1 h VAL 251 Cb 0.00 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1xa1 h VAL 251 CO 0.00 0.40 0.00 0.18 0.02 0.00 0.00 177.57 178.17 1xa1 n LEU 252 N -3.49 3.27 -0.49 2.57 4.32 -1.24 -4.88 117.00 117.05 1xa1 n LEU 252 Ca 0.00 -1.42 0.14 0.00 -0.02 0.00 0.00 56.01 54.71 1xa1 n LEU 252 Cb 0.55 -0.20 0.51 0.00 -1.62 0.00 0.00 43.42 42.66 1xa1 n LEU 252 CO 0.37 0.68 0.86 -0.46 -1.22 0.00 0.00 177.39 177.63