#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxe n GLU 4 N 0.00 0.73 -5.19 3.23 1.02 0.23 -4.69 120.64 115.97 1xxe n GLU 4 Ca 0.00 0.27 -0.30 0.00 -0.02 0.00 0.00 57.16 57.12 1xxe n GLU 4 Cb 0.00 -1.79 -0.16 0.00 -0.02 0.00 0.00 31.44 29.47 1xxe n GLU 4 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1xxe s LYS 5 N -2.06 2.00 0.27 3.49 2.47 -1.26 -1.15 119.74 123.50 1xxe s LYS 5 Ca 0.68 -0.85 0.03 0.00 -1.56 0.00 0.00 55.97 54.26 1xxe s LYS 5 Cb -0.49 -1.89 -0.04 0.00 -1.46 0.00 0.00 37.83 33.95 1xxe s LYS 5 CO 0.54 0.49 0.18 -0.08 0.16 0.00 0.00 175.35 176.64 1xxe s THR 6 N -0.50 0.12 0.19 3.43 -1.32 -0.78 -2.13 115.64 114.65 1xxe s THR 6 Ca 0.07 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.32 1xxe s THR 6 Cb -0.10 -2.51 -0.08 0.00 -1.51 0.00 0.00 72.50 68.30 1xxe s THR 6 CO -0.00 0.00 0.77 0.68 -2.21 0.00 0.00 174.62 173.85 1xxe s VAL 7 N -3.79 4.42 0.05 5.08 -7.23 -1.26 0.63 120.40 118.31 1xxe s VAL 7 Ca 0.38 1.59 -0.18 0.00 -1.81 0.00 0.00 61.98 61.96 1xxe s VAL 7 Cb 0.05 -4.05 -0.14 0.00 0.56 0.00 0.00 36.38 32.80 1xxe s VAL 7 CO 0.18 0.42 1.32 0.50 -0.31 0.00 0.00 175.10 177.21 1xxe h LYS 8 N 4.03 0.50 -5.03 4.82 3.64 -0.29 -3.43 116.57 120.81 1xxe h LYS 8 Ca -0.47 -0.31 -0.32 0.00 -1.27 0.00 0.00 60.65 58.28 1xxe h LYS 8 Cb 1.20 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.91 1xxe h LYS 8 CO 0.66 0.91 -0.71 -1.21 -2.27 0.00 0.00 179.45 176.82 1xxe s GLU 9 N -4.08 1.02 0.30 1.90 2.02 -1.26 -4.99 118.70 113.61 1xxe s GLU 9 Ca -0.13 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.15 1xxe s GLU 9 Cb 0.06 -0.58 -0.11 0.00 0.10 0.00 0.00 34.13 33.60 1xxe s GLU 9 CO 0.80 0.07 1.51 0.21 0.02 0.00 0.00 175.26 177.86 1xxe s LYS 10 N -3.67 4.18 0.23 1.61 2.36 -1.26 -4.86 119.74 118.34 1xxe s LYS 10 Ca 0.15 2.47 0.10 0.00 -2.55 0.00 0.00 55.97 56.14 1xxe s LYS 10 Cb 0.02 -3.04 -0.04 0.00 -1.05 0.00 0.00 37.83 33.71 1xxe s LYS 10 CO 0.00 -0.52 -0.12 -0.51 1.55 0.00 0.00 175.35 175.75 1xxe s LEU 11 N -0.83 2.84 -0.05 5.43 1.43 -0.61 -4.95 118.68 121.95 1xxe s LEU 11 Ca 0.59 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1xxe s LEU 11 Cb -0.45 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.34 1xxe s LEU 11 CO 0.49 0.06 0.25 -0.94 0.23 0.00 0.00 176.35 176.45 1xxe s SER 12 N -3.21 -0.18 0.19 2.29 1.04 -1.26 -0.50 113.70 112.07 1xxe s SER 12 Ca 0.27 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.96 1xxe s SER 12 Cb -0.07 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 1xxe s SER 12 CO 0.16 -0.27 -0.04 -0.36 0.98 0.00 0.00 173.24 173.70 1xxe s PHE 13 N -0.69 1.37 -0.13 5.02 0.08 -0.19 -4.97 117.98 118.47 1xxe s PHE 13 Ca -0.08 -0.89 -0.09 0.00 0.12 0.00 0.00 56.93 55.99 1xxe s PHE 13 Cb -0.04 -0.76 0.04 0.00 -0.57 0.00 0.00 43.02 41.68 1xxe s PHE 13 CO 0.02 -0.04 0.32 -1.83 -0.10 0.00 0.00 175.22 173.60 1xxe s GLU 14 N -3.84 0.34 0.00 0.44 -1.05 -1.26 -1.68 118.70 111.66 1xxe s GLU 14 Ca 0.23 0.54 0.00 0.00 -0.15 0.00 0.00 54.97 55.59 1xxe s GLU 14 Cb 0.05 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1xxe s GLU 14 CO 0.05 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1xxe n GLY 15 N 3.50 1.54 3.85 -3.83 0.00 -0.74 -4.94 105.19 104.57 1xxe n GLY 15 Ca -0.18 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1xxe n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxe s VAL 16 N -2.00 4.84 0.40 1.61 0.11 -1.26 -1.80 120.40 122.29 1xxe s VAL 16 Ca 0.00 0.78 -0.26 0.00 -2.93 0.00 0.00 61.98 59.57 1xxe s VAL 16 Cb 0.00 -3.70 -0.09 0.00 -1.53 0.00 0.00 36.38 31.06 1xxe s VAL 16 CO 0.00 0.11 1.19 -0.83 -3.33 0.00 0.00 175.10 172.24 1xxe s GLY 17 N -1.95 2.89 0.19 6.54 0.00 -0.76 -2.58 107.32 111.66 1xxe s GLY 17 Ca 0.42 1.02 -0.07 0.00 0.00 0.00 0.00 44.72 46.09 1xxe s GLY 17 CO 0.20 1.55 1.61 1.19 0.00 0.00 0.00 173.10 177.64 1xxe h ILE 18 N 2.38 1.27 0.10 0.90 2.10 -1.82 -0.54 117.51 121.90 1xxe h ILE 18 Ca -0.49 -1.33 -0.31 0.00 1.08 0.00 0.00 64.86 63.81 1xxe h ILE 18 Cb 1.24 1.14 -0.02 0.00 -1.09 0.00 0.00 36.82 38.09 1xxe h ILE 18 CO 0.63 0.45 -1.61 0.45 -1.08 0.00 0.00 178.15 176.99 1xxe h HIS 19 N 0.77 0.38 0.19 2.19 3.86 -1.88 3.33 115.15 123.98 1xxe h HIS 19 Ca 0.11 -0.28 -0.35 0.00 -1.16 0.00 0.00 60.37 58.69 1xxe h HIS 19 Cb 0.74 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.20 1xxe h HIS 19 CO 0.04 1.38 -1.74 1.15 0.86 0.00 0.00 177.93 179.61 1xxe h THR 20 N 0.06 0.95 0.00 2.45 2.02 -1.90 -2.54 112.91 113.94 1xxe h THR 20 Ca -0.27 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.39 1xxe h THR 20 Cb 2.01 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 71.20 1xxe h THR 20 CO 0.14 0.86 0.00 0.61 0.37 0.00 0.00 175.52 177.50 1xxe n GLY 21 N 1.86 0.49 3.83 2.16 0.00 -0.21 -4.50 105.19 108.82 1xxe n GLY 21 Ca -0.24 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1xxe n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xxe s GLU 22 N -1.12 3.10 0.28 1.61 2.02 -1.26 -4.82 118.70 118.51 1xxe s GLU 22 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1xxe s GLU 22 Cb 0.00 -2.84 -0.10 0.00 0.10 0.00 0.00 34.13 31.29 1xxe s GLU 22 CO 0.00 0.58 1.19 -0.47 0.02 0.00 0.00 175.26 176.58 1xxe s TYR 23 N -1.46 3.36 0.07 1.61 5.04 -1.26 -1.83 117.35 122.87 1xxe s TYR 23 Ca 0.32 1.55 -0.08 0.00 -2.44 0.00 0.00 57.07 56.41 1xxe s TYR 23 Cb -0.12 -3.45 -0.00 0.00 0.35 0.00 0.00 41.96 38.73 1xxe s TYR 23 CO 0.24 -1.14 0.17 0.45 -1.34 0.00 0.00 175.55 173.94 1xxe s SER 24 N -0.57 0.11 0.10 4.32 0.15 -0.74 -4.86 113.70 112.21 1xxe s SER 24 Ca 0.47 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.60 1xxe s SER 24 Cb -0.35 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1xxe s SER 24 CO 0.45 -0.65 -0.10 -0.75 1.20 0.00 0.00 173.24 173.39 1xxe s LYS 25 N -3.32 0.87 0.03 5.44 2.20 -0.80 -1.79 119.74 122.36 1xxe s LYS 25 Ca 0.01 -1.19 0.04 0.00 -0.36 0.00 0.00 55.97 54.47 1xxe s LYS 25 Cb 0.03 -0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 35.78 1xxe s LYS 25 CO -0.08 0.08 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.37 1xxe s LEU 26 N -2.52 2.14 -0.05 5.43 1.43 -0.67 -0.42 118.68 124.02 1xxe s LEU 26 Ca 0.07 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1xxe s LEU 26 Cb -0.02 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.77 1xxe s LEU 26 CO 0.00 -0.00 -0.06 -0.63 0.23 0.00 0.00 176.35 175.89 1xxe s ILE 27 N -0.77 0.69 -0.18 -0.59 1.01 -0.57 -1.03 121.20 119.77 1xxe s ILE 27 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1xxe s ILE 27 Cb -0.07 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 1xxe s ILE 27 CO 0.01 0.26 -0.09 -0.63 0.00 0.00 0.00 174.94 174.49 1xxe s ILE 28 N 0.90 3.14 0.17 2.92 1.01 0.35 0.21 121.20 129.90 1xxe s ILE 28 Ca -0.11 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.05 1xxe s ILE 28 Cb -0.15 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1xxe s ILE 28 CO 0.01 0.47 -0.19 -1.00 0.00 0.00 0.00 174.94 174.23 1xxe s HIS 29 N 1.06 2.44 0.82 3.97 3.76 -0.95 -1.57 115.29 124.83 1xxe s HIS 29 Ca 0.00 -0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 54.50 1xxe s HIS 29 Cb -0.15 -1.22 0.09 0.00 1.11 0.00 0.00 32.58 32.41 1xxe s HIS 29 CO -0.01 0.47 1.13 -1.25 -0.85 0.00 0.00 174.74 174.23 1xxe s PRO 30 N -2.59 1.74 0.33 8.40 0.04 -1.26 -1.66 135.00 140.00 1xxe s PRO 30 Ca 0.21 1.39 0.05 0.00 0.04 0.00 0.00 61.00 62.69 1xxe s PRO 30 Cb -0.09 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1xxe s PRO 30 CO 0.11 -2.07 0.17 0.39 0.04 0.00 0.00 177.00 175.65 1xxe n GLU 31 N -3.71 0.52 -2.98 4.56 -0.58 -1.26 -4.65 120.64 112.54 1xxe n GLU 31 Ca 0.11 -2.97 -0.33 0.00 -0.42 0.00 0.00 57.16 53.54 1xxe n GLU 31 Cb 0.52 1.91 -0.07 0.00 -0.57 0.00 0.00 31.44 33.24 1xxe n GLU 31 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xxe s LYS 32 N -3.29 4.15 0.50 3.49 2.20 -1.26 -4.93 119.74 120.60 1xxe s LYS 32 Ca 0.24 0.91 -0.20 0.00 -0.36 0.00 0.00 55.97 56.56 1xxe s LYS 32 Cb 0.01 -2.37 -0.11 0.00 -1.51 0.00 0.00 37.83 33.85 1xxe s LYS 32 CO 0.17 0.10 0.45 0.39 -0.36 0.00 0.00 175.35 176.10 1xxe n GLU 33 N -0.36 0.48 -1.95 4.03 4.71 -1.26 -1.20 120.64 125.09 1xxe n GLU 33 Ca 0.05 0.18 -0.20 0.00 -0.01 0.00 0.00 57.16 57.17 1xxe n GLU 33 Cb 0.53 -1.54 -0.05 0.00 -1.01 0.00 0.00 31.44 29.37 1xxe n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xxe n GLY 34 N 1.87 0.88 0.13 0.62 0.00 -1.26 -4.85 105.19 102.58 1xxe n GLY 34 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1xxe n GLY 34 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xxe h THR 35 N 0.00 1.35 0.00 2.61 2.02 -1.37 -3.50 112.91 114.01 1xxe h THR 35 Ca -0.45 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 63.88 1xxe h THR 35 Cb 1.35 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.73 1xxe h THR 35 CO 0.60 0.85 0.00 0.61 0.37 0.00 0.00 175.52 177.94 1xxe n GLY 36 N 1.65 -1.80 3.54 2.16 0.00 0.21 -4.87 105.19 106.08 1xxe n GLY 36 Ca -0.14 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1xxe n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxe s ILE 37 N 0.00 4.69 -0.01 -0.61 -1.09 -1.24 -2.24 121.20 120.70 1xxe s ILE 37 Ca 0.00 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.38 1xxe s ILE 37 Cb 0.00 -3.17 -0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1xxe s ILE 37 CO 0.00 0.36 -0.04 0.00 -1.23 0.00 0.00 174.94 174.03 1xxe s ARG 38 N 1.21 0.38 0.09 2.79 1.70 -1.02 -1.95 118.95 122.16 1xxe s ARG 38 Ca 0.05 -0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 1xxe s ARG 38 Cb -0.14 -0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 1xxe s ARG 38 CO 0.04 0.08 0.24 -0.06 -1.08 0.00 0.00 175.30 174.52 1xxe s PHE 39 N -0.01 3.51 -0.01 5.89 0.08 -0.76 -1.55 117.98 125.12 1xxe s PHE 39 Ca 0.01 0.23 0.04 0.00 0.12 0.00 0.00 56.93 57.33 1xxe s PHE 39 Cb -0.03 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1xxe s PHE 39 CO -0.00 0.56 -0.14 0.12 -0.10 0.00 0.00 175.22 175.66 1xxe s PHE 40 N -1.59 1.23 -0.29 0.36 2.19 -0.67 0.44 117.98 119.65 1xxe s PHE 40 Ca 0.35 -0.24 -0.24 0.00 0.33 0.00 0.00 56.93 57.13 1xxe s PHE 40 Cb -0.12 -0.80 0.14 0.00 -1.31 0.00 0.00 43.02 40.93 1xxe s PHE 40 CO 0.28 -0.03 1.13 0.21 1.83 0.00 0.00 175.22 178.64 1xxe s LYS 41 N -0.27 0.38 -1.72 10.12 2.20 -0.14 -1.14 119.74 129.17 1xxe s LYS 41 Ca 0.04 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1xxe s LYS 41 Cb -0.06 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1xxe s LYS 41 CO -0.00 -0.05 0.00 -1.71 -0.36 0.00 0.00 175.35 173.23 1xxe n ASN 42 N 2.24 -5.56 -0.81 1.43 2.85 -1.26 -1.27 115.26 112.88 1xxe n ASN 42 Ca -0.13 0.05 -0.10 0.00 -0.11 0.00 0.00 54.58 54.30 1xxe n ASN 42 Cb 0.56 -4.62 -0.03 0.00 1.24 0.00 0.00 39.78 36.93 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xxe n GLY 43 N -0.96 0.87 3.14 8.20 0.00 -1.26 -5.01 105.19 110.17 1xxe n GLY 43 Ca -0.23 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1xxe n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxe s VAL 44 N -2.38 1.05 0.04 1.61 1.01 -0.40 -5.14 120.40 116.19 1xxe s VAL 44 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1xxe s VAL 44 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1xxe s VAL 44 CO 0.00 -0.07 0.24 -0.31 0.00 0.00 0.00 175.10 174.96 1xxe s TYR 45 N -0.95 3.53 -0.32 5.22 1.51 -1.26 -0.97 117.35 124.11 1xxe s TYR 45 Ca -0.00 0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 56.45 1xxe s TYR 45 Cb -0.08 -1.87 0.12 0.00 -0.11 0.00 0.00 41.96 40.02 1xxe s TYR 45 CO 0.01 0.58 0.19 0.42 -1.11 0.00 0.00 175.55 175.65 1xxe s ILE 46 N -1.44 0.00 0.35 2.71 1.01 0.17 -4.96 121.20 119.05 1xxe s ILE 46 Ca 0.32 -1.22 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 1xxe s ILE 46 Cb -0.13 -1.03 -0.13 0.00 0.01 0.00 0.00 42.46 41.18 1xxe s ILE 46 CO 0.22 -0.84 0.84 -2.65 0.00 0.00 0.00 174.94 172.51 1xxe n PRO 47 N 4.62 1.01 -2.94 2.79 -0.02 -1.26 -1.82 135.00 137.38 1xxe n PRO 47 Ca 0.04 0.36 -0.44 0.00 -2.02 0.00 0.00 63.50 61.44 1xxe n PRO 47 Cb 0.40 -1.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1xxe n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xxe s ALA 48 N -1.22 3.81 0.05 3.55 0.00 -0.83 -4.81 121.76 122.30 1xxe s ALA 48 Ca 0.62 -3.18 0.01 0.00 0.00 0.00 0.00 51.96 49.40 1xxe s ALA 48 Cb -0.66 -4.11 -0.03 0.00 0.00 0.00 0.00 23.12 18.33 1xxe s ALA 48 CO 0.58 -2.84 -0.05 1.03 0.00 0.00 0.00 175.76 174.48 1xxe s ARG 49 N 1.93 0.54 0.16 0.00 0.52 -1.26 -4.57 118.95 116.28 1xxe s ARG 49 Ca 0.40 -0.90 -0.17 0.00 -0.52 0.00 0.00 55.73 54.54 1xxe s ARG 49 Cb -0.03 -0.08 0.09 0.00 0.52 0.00 0.00 34.95 35.45 1xxe s ARG 49 CO -0.03 -0.02 1.68 1.12 0.02 0.00 0.00 175.30 178.08 1xxe h HIS 50 N 4.04 -0.14 -1.54 -0.53 2.07 -1.93 0.99 115.15 118.11 1xxe h HIS 50 Ca -0.34 0.03 0.45 0.00 -2.85 0.00 0.00 60.37 57.66 1xxe h HIS 50 Cb 1.19 0.12 -0.07 0.00 2.57 0.00 0.00 27.41 31.22 1xxe h HIS 50 CO 0.62 -0.14 1.10 0.93 -3.07 0.00 0.00 177.93 177.37 1xxe h GLU 51 N 0.04 0.02 0.00 5.12 5.08 -1.97 3.07 114.58 125.94 1xxe h GLU 51 Ca 0.19 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xxe h GLU 51 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xxe h GLU 51 CO -0.37 0.01 0.00 1.19 -1.00 0.00 0.00 179.01 178.84 1xxe n PHE 52 N -4.12 0.00 -1.69 4.33 3.01 0.34 -4.85 117.46 114.48 1xxe n PHE 52 Ca 0.35 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.36 1xxe n PHE 52 Cb 1.58 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 41.02 1xxe n PHE 52 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xxe n VAL 53 N -0.80 0.33 0.00 -4.37 0.31 1.02 -2.39 118.33 112.43 1xxe n VAL 53 Ca 0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1xxe n VAL 53 Cb 0.06 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 1xxe n VAL 53 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xxe n VAL 54 N 3.04 0.00 -3.65 2.52 0.24 -1.04 -4.84 118.33 114.61 1xxe n VAL 54 Ca 0.15 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.34 1xxe n VAL 54 Cb 0.31 -0.63 -0.11 0.00 -1.47 0.00 0.00 33.84 31.95 1xxe n VAL 54 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xxe s HIS 55 N -1.88 -0.66 -0.12 6.34 5.65 -1.20 -5.05 115.29 118.37 1xxe s HIS 55 Ca 0.00 1.31 -0.00 0.00 0.25 0.00 0.00 55.06 56.61 1xxe s HIS 55 Cb 0.00 0.17 -0.02 0.00 -1.18 0.00 0.00 32.58 31.55 1xxe s HIS 55 CO 0.00 -0.44 -0.12 0.95 -0.65 0.00 0.00 174.74 174.48 1xxe s THR 56 N 2.54 3.18 0.00 0.89 -4.23 -1.26 -1.78 115.64 114.97 1xxe s THR 56 Ca -0.00 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1xxe s THR 56 Cb -0.12 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1xxe s THR 56 CO -0.11 0.53 0.00 -3.20 -0.54 0.00 0.00 174.62 171.30 1xxe n ASN 57 N 3.34 0.00 0.15 3.99 2.85 -1.26 -4.89 115.26 119.44 1xxe n ASN 57 Ca -0.18 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.32 1xxe n ASN 57 Cb 0.53 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.70 1xxe n ASN 57 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1xxe n HIS 58 N 0.00 0.20 -4.25 1.20 8.25 -1.26 -4.37 115.22 114.99 1xxe n HIS 58 Ca 0.00 0.10 -0.14 0.00 -0.26 0.00 0.00 57.72 57.43 1xxe n HIS 58 Cb 0.00 -0.30 -0.10 0.00 1.12 0.00 0.00 29.99 30.71 1xxe n HIS 58 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xxe s SER 59 N -2.88 1.09 -0.24 0.41 0.15 -1.26 -5.02 113.70 105.95 1xxe s SER 59 Ca -0.01 -1.22 -0.08 0.00 0.70 0.00 0.00 55.95 55.34 1xxe s SER 59 Cb 0.02 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1xxe s SER 59 CO 0.05 -0.62 0.10 -0.89 1.20 0.00 0.00 173.24 173.08 1xxe s THR 60 N -3.73 4.67 -0.02 6.45 2.01 -1.26 -4.59 115.64 119.17 1xxe s THR 60 Ca 0.27 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.29 1xxe s THR 60 Cb 0.07 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1xxe s THR 60 CO 0.06 0.35 -0.24 -1.81 -0.69 0.00 0.00 174.62 172.28 1xxe s ASP 61 N 1.34 2.84 0.24 3.53 1.01 -0.73 -1.02 116.67 123.86 1xxe s ASP 61 Ca 0.06 -0.44 0.11 0.00 0.71 0.00 0.00 52.55 52.98 1xxe s ASP 61 Cb -0.15 -0.34 -0.05 0.00 1.01 0.00 0.00 42.92 43.40 1xxe s ASP 61 CO 0.05 0.29 -0.20 -0.76 0.21 0.00 0.00 175.17 174.76 1xxe s LEU 62 N -0.55 2.53 -0.26 1.23 1.43 -0.73 -2.48 118.68 119.84 1xxe s LEU 62 Ca 0.09 -0.97 -0.27 0.00 -1.03 0.00 0.00 54.13 51.94 1xxe s LEU 62 Cb -0.09 -1.02 0.17 0.00 0.03 0.00 0.00 46.19 45.27 1xxe s LEU 62 CO -0.01 0.02 1.25 -0.83 0.23 0.00 0.00 176.35 177.02 1xxe s GLY 63 N -3.19 0.06 0.01 -3.19 0.00 -1.01 0.23 107.32 100.24 1xxe s GLY 63 Ca 0.25 2.88 -0.06 0.00 0.00 0.00 0.00 44.72 47.78 1xxe s GLY 63 CO 0.12 1.51 0.12 -0.12 0.00 0.00 0.00 173.10 174.72 1xxe s PHE 64 N -0.45 0.09 -1.73 1.90 5.36 0.58 -4.74 117.98 118.98 1xxe s PHE 64 Ca 0.05 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1xxe s PHE 64 Cb -0.03 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.58 1xxe s PHE 64 CO -0.08 -0.30 0.00 1.63 -1.46 0.00 0.00 175.22 175.01 1xxe n LYS 65 N 1.32 -1.58 -0.32 10.12 4.76 -1.26 -0.53 118.16 130.67 1xxe n LYS 65 Ca -0.22 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 1xxe n LYS 65 Cb 0.56 -5.42 0.00 0.00 -1.84 0.00 0.00 35.03 28.33 1xxe n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xxe n GLY 66 N -0.56 0.72 3.88 0.72 0.00 -1.26 -5.05 105.19 103.63 1xxe n GLY 66 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1xxe n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xxe s GLN 67 N -0.64 3.56 0.03 1.61 -1.52 0.31 -5.09 119.66 117.91 1xxe s GLN 67 Ca 0.00 -0.05 0.01 0.00 -1.95 0.00 0.00 55.36 53.37 1xxe s GLN 67 Cb 0.00 -3.15 -0.02 0.00 -0.22 0.00 0.00 33.01 29.62 1xxe s GLN 67 CO 0.00 0.71 -0.05 -0.98 -0.25 0.00 0.00 175.29 174.72 1xxe s ARG 68 N -1.37 0.43 0.01 2.91 1.70 -1.26 -0.31 118.95 121.06 1xxe s ARG 68 Ca 0.22 -0.73 0.03 0.00 -0.47 0.00 0.00 55.73 54.78 1xxe s ARG 68 Cb -0.13 -0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 34.19 1xxe s ARG 68 CO 0.11 -0.01 -0.10 0.42 -1.08 0.00 0.00 175.30 174.63 1xxe s ILE 69 N -1.66 0.80 0.09 4.99 1.01 0.14 -4.81 121.20 121.76 1xxe s ILE 69 Ca -0.11 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 59.94 1xxe s ILE 69 Cb -0.08 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 1xxe s ILE 69 CO -0.01 0.06 -0.05 -0.54 0.00 0.00 0.00 174.94 174.40 1xxe s LYS 70 N -0.67 2.35 -0.84 2.79 1.02 -0.82 -1.78 119.74 121.79 1xxe s LYS 70 Ca 0.01 -0.92 -0.03 0.00 0.02 0.00 0.00 55.97 55.05 1xxe s LYS 70 Cb -0.06 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1xxe s LYS 70 CO 0.00 0.53 0.71 2.41 -0.92 0.00 0.00 175.35 178.08 1xxe n THR 71 N 0.65 -7.98 0.33 2.17 -1.04 -0.19 -2.10 114.28 106.12 1xxe n THR 71 Ca -0.12 -0.39 0.04 0.00 -2.04 0.00 0.00 64.05 61.54 1xxe n THR 71 Cb 0.52 -5.66 0.01 0.00 -1.82 0.00 0.00 70.33 63.38 1xxe n THR 71 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1xxe n VAL 72 N -2.41 0.00 0.20 12.58 0.24 -1.19 -4.35 118.33 123.39 1xxe n VAL 72 Ca -0.09 -0.44 0.06 0.00 -2.04 0.00 0.00 64.34 61.83 1xxe n VAL 72 Cb 0.57 1.11 0.38 0.00 -1.47 0.00 0.00 33.84 34.42 1xxe n VAL 72 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1xxe h GLU 73 N 0.99 0.00 0.70 7.34 4.11 -1.88 -2.67 114.58 123.17 1xxe h GLU 73 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1xxe h GLU 73 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1xxe h GLU 73 CO 0.00 0.34 -0.33 0.45 0.07 0.00 0.00 179.01 179.54 1xxe h HIS 74 N 0.00 -0.87 -0.66 2.06 3.86 -1.91 -0.66 115.15 116.97 1xxe h HIS 74 Ca -0.00 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1xxe h HIS 74 Cb 0.83 0.29 -0.05 0.00 1.06 0.00 0.00 27.41 29.53 1xxe h HIS 74 CO 0.00 -0.54 0.37 0.97 0.86 0.00 0.00 177.93 179.59 1xxe h ILE 75 N -1.20 0.97 -0.90 2.45 6.09 -1.86 -0.34 117.51 122.70 1xxe h ILE 75 Ca -0.10 -0.23 0.10 0.00 -1.37 0.00 0.00 64.86 63.26 1xxe h ILE 75 Cb 0.72 0.23 -0.07 0.00 0.47 0.00 0.00 36.82 38.17 1xxe h ILE 75 CO 0.16 0.12 0.58 -0.07 -3.07 0.00 0.00 178.15 175.87 1xxe h LEU 76 N 0.68 0.81 -0.09 2.19 3.38 -1.44 -1.58 115.31 119.25 1xxe h LEU 76 Ca 0.30 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1xxe h LEU 76 Cb 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xxe h LEU 76 CO -0.18 0.47 0.06 -1.28 0.09 0.00 0.00 178.44 177.59 1xxe h SER 77 N 0.89 0.11 0.24 -0.43 0.87 0.56 0.88 113.55 116.66 1xxe h SER 77 Ca 0.42 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1xxe h SER 77 Cb 0.43 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1xxe h SER 77 CO -0.19 0.12 -0.24 0.58 -0.53 0.00 0.00 176.83 176.58 1xxe h VAL 78 N 0.09 0.49 -0.75 2.23 2.07 -0.96 -1.52 116.25 117.90 1xxe h VAL 78 Ca 0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.69 1xxe h VAL 78 Cb 0.03 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 30.20 1xxe h VAL 78 CO -0.01 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.82 1xxe h LEU 79 N -0.51 0.29 -0.02 2.57 3.38 -1.12 0.21 115.31 120.11 1xxe h LEU 79 Ca -0.00 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1xxe h LEU 79 Cb 0.47 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1xxe h LEU 79 CO -0.05 0.11 -0.23 -0.74 0.09 0.00 0.00 178.44 177.62 1xxe h HIS 80 N 0.45 -0.60 -0.44 1.13 2.76 0.03 0.23 115.15 118.71 1xxe h HIS 80 Ca 0.41 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.52 1xxe h HIS 80 Cb 0.61 0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.83 1xxe h HIS 80 CO -0.16 -0.31 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.02 1xxe h LEU 81 N -0.35 0.75 0.00 0.26 3.38 -0.32 -2.07 115.31 116.96 1xxe h LEU 81 Ca 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xxe h LEU 81 Cb 0.44 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xxe h LEU 81 CO -0.22 0.85 0.00 0.18 0.09 0.00 0.00 178.44 179.34 1xxe n LEU 82 N -4.19 0.00 -3.08 1.67 4.77 0.63 -4.90 117.00 111.90 1xxe n LEU 82 Ca 0.02 0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 56.21 1xxe n LEU 82 Cb 0.33 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1xxe n LEU 82 CO 0.42 -0.07 0.12 -0.62 -1.33 0.00 0.00 177.39 175.92 1xxe n GLU 83 N -1.37 -5.92 -3.26 3.23 1.02 0.74 -4.97 120.64 110.09 1xxe n GLU 83 Ca 0.09 0.72 -0.39 0.00 -0.02 0.00 0.00 57.16 57.55 1xxe n GLU 83 Cb 0.23 -5.36 -0.07 0.00 -0.02 0.00 0.00 31.44 26.22 1xxe n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xxe s ILE 84 N -3.30 5.11 -0.03 -3.67 -1.09 -0.80 -4.04 121.20 113.38 1xxe s ILE 84 Ca 0.13 0.88 0.09 0.00 -2.23 0.00 0.00 60.65 59.53 1xxe s ILE 84 Cb -0.06 -3.82 -0.14 0.00 -1.58 0.00 0.00 42.46 36.86 1xxe s ILE 84 CO 0.62 0.15 0.18 0.35 -1.23 0.00 0.00 174.94 175.01 1xxe n THR 85 N 4.77 0.11 -3.93 2.92 -2.24 -0.90 -4.83 114.28 110.18 1xxe n THR 85 Ca -0.05 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.18 1xxe n THR 85 Cb 0.50 0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 68.66 1xxe n THR 85 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xxe s ASN 86 N -3.28 3.62 -0.26 3.42 -0.87 -1.18 -0.62 114.94 115.76 1xxe s ASN 86 Ca -0.04 -1.06 -0.25 0.00 -1.57 0.00 0.00 52.86 49.94 1xxe s ASN 86 Cb 0.05 -1.13 0.10 0.00 -0.02 0.00 0.00 41.25 40.25 1xxe s ASN 86 CO 0.39 -0.22 0.90 0.68 -2.57 0.00 0.00 177.10 176.28 1xxe s VAL 87 N 1.44 0.00 -0.44 1.60 -7.23 -0.95 -4.05 120.40 110.77 1xxe s VAL 87 Ca -0.04 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.08 1xxe s VAL 87 Cb -0.18 -1.00 0.12 0.00 0.56 0.00 0.00 36.38 35.88 1xxe s VAL 87 CO -0.07 0.00 0.27 -0.89 -0.31 0.00 0.00 175.10 174.10 1xxe s THR 88 N 0.18 3.64 -0.45 5.32 2.01 -0.66 -2.42 115.64 123.26 1xxe s THR 88 Ca 0.01 -2.00 -0.23 0.00 0.31 0.00 0.00 61.69 59.78 1xxe s THR 88 Cb -0.05 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 69.04 1xxe s THR 88 CO -0.03 -0.73 0.80 -0.63 -0.69 0.00 0.00 174.62 173.34 1xxe s ILE 89 N 1.17 4.63 -0.21 1.82 1.01 -0.60 -2.23 121.20 126.79 1xxe s ILE 89 Ca 0.08 0.47 -0.23 0.00 0.00 0.00 0.00 60.65 60.97 1xxe s ILE 89 Cb -0.24 -4.33 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 1xxe s ILE 89 CO -0.03 -0.73 0.73 -1.61 0.00 0.00 0.00 174.94 173.31 1xxe s GLU 90 N 3.34 4.22 -0.39 2.79 2.02 0.13 -1.67 118.70 129.14 1xxe s GLU 90 Ca 0.31 0.80 -0.10 0.00 0.02 0.00 0.00 54.97 55.99 1xxe s GLU 90 Cb -0.12 -3.60 0.05 0.00 0.10 0.00 0.00 34.13 30.56 1xxe s GLU 90 CO 0.23 -0.35 0.21 0.08 0.02 0.00 0.00 175.26 175.45 1xxe s VAL 91 N 2.27 4.39 -0.43 2.63 1.01 -0.29 -1.51 120.40 128.46 1xxe s VAL 91 Ca 0.32 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 1xxe s VAL 91 Cb -0.16 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1xxe s VAL 91 CO 0.10 -0.32 0.71 -0.63 0.00 0.00 0.00 175.10 174.96 1xxe s ILE 92 N 1.50 4.75 -2.48 2.22 1.09 0.44 -4.67 121.20 124.05 1xxe s ILE 92 Ca 0.02 0.31 0.00 0.00 -1.10 0.00 0.00 60.65 59.88 1xxe s ILE 92 Cb -0.20 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 36.95 1xxe s ILE 92 CO 0.05 -0.62 0.00 0.61 -0.10 0.00 0.00 174.94 174.88 1xxe n GLY 93 N 4.96 0.76 0.00 6.18 0.00 -1.26 -1.91 105.19 113.92 1xxe n GLY 93 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1xxe n GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xxe n ASN 94 N 0.01 2.57 -3.98 1.61 4.13 -1.26 -5.01 115.26 113.33 1xxe n ASN 94 Ca 0.00 -0.24 -0.15 0.00 1.68 0.00 0.00 54.58 55.87 1xxe n ASN 94 Cb 0.00 1.01 -0.14 0.00 -1.54 0.00 0.00 39.78 39.12 1xxe n ASN 94 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1xxe s GLU 95 N -1.58 0.43 0.05 3.52 1.03 -1.26 -1.94 118.70 118.95 1xxe s GLU 95 Ca -0.00 -0.30 -0.31 0.00 0.03 0.00 0.00 54.97 54.40 1xxe s GLU 95 Cb 0.00 -0.36 -0.07 0.00 -0.80 0.00 0.00 34.13 32.90 1xxe s GLU 95 CO 0.03 0.09 1.49 0.42 -1.33 0.00 0.00 175.26 175.96 1xxe s ILE 96 N -0.38 3.37 0.09 1.83 -1.09 -0.89 -4.55 121.20 119.57 1xxe s ILE 96 Ca -0.01 0.84 -0.36 0.00 -2.23 0.00 0.00 60.65 58.89 1xxe s ILE 96 Cb -0.04 -3.54 -0.17 0.00 -1.58 0.00 0.00 42.46 37.13 1xxe s ILE 96 CO -0.00 0.01 1.21 -2.65 -1.23 0.00 0.00 174.94 172.28 1xxe n PRO 97 N 5.12 0.83 0.15 2.79 -0.02 -1.26 -4.57 135.00 138.04 1xxe n PRO 97 Ca 0.14 0.30 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1xxe n PRO 97 Cb 0.42 -1.86 0.15 0.00 -0.02 0.00 0.00 33.50 32.19 1xxe n PRO 97 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xxe h ILE 98 N 3.03 1.01 0.00 4.25 6.09 -1.79 -3.48 117.51 126.63 1xxe h ILE 98 Ca -0.47 -2.08 0.00 0.00 -1.37 0.00 0.00 64.86 60.95 1xxe h ILE 98 Cb 1.36 2.26 0.00 0.00 0.47 0.00 0.00 36.82 40.91 1xxe h ILE 98 CO 0.72 0.51 0.00 0.18 -3.07 0.00 0.00 178.15 176.49 1xxe n LEU 99 N -3.40 0.00 0.03 2.19 4.77 -1.26 -0.70 117.00 118.64 1xxe n LEU 99 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1xxe n LEU 99 Cb 0.66 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1xxe n LEU 99 CO 0.40 0.00 -0.28 -0.67 -1.33 0.00 0.00 177.39 175.51 1xxe n ASP 100 N 9.48 0.47 0.00 -1.43 -0.08 -1.26 -4.53 116.55 119.20 1xxe n ASP 100 Ca 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1xxe n ASP 100 Cb 0.00 1.16 0.00 0.00 2.34 0.00 0.00 41.12 44.62 1xxe n ASP 100 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xxe n GLY 101 N 1.29 0.74 0.00 0.27 0.00 0.12 -4.16 105.19 103.46 1xxe n GLY 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xxe n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xxe n SER 102 N 0.00 1.07 -0.11 1.61 3.41 -1.26 -0.78 113.62 117.56 1xxe n SER 102 Ca 0.00 -0.73 0.03 0.00 -0.26 0.00 0.00 58.87 57.91 1xxe n SER 102 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xxe n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xxe n GLY 103 N 2.68 -0.21 0.33 5.00 0.00 -0.99 -4.66 105.19 107.35 1xxe n GLY 103 Ca 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.05 1xxe n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1xxe h TRP 104 N 0.55 0.84 0.18 1.61 2.91 -1.81 0.21 115.95 120.44 1xxe h TRP 104 Ca 0.00 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1xxe h TRP 104 Cb 0.17 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 1xxe h TRP 104 CO 0.00 -0.05 -0.09 0.93 -1.03 0.00 0.00 178.44 178.20 1xxe h GLU 105 N 0.43 -0.23 -0.51 2.65 4.39 -1.90 0.73 114.58 120.15 1xxe h GLU 105 Ca 0.64 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.33 1xxe h GLU 105 Cb 1.29 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 1xxe h GLU 105 CO -0.54 -0.09 0.24 0.74 -1.16 0.00 0.00 179.01 178.20 1xxe h PHE 106 N -0.32 0.74 -0.72 4.33 0.04 -1.45 -1.05 116.94 118.51 1xxe h PHE 106 Ca -0.02 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 1xxe h PHE 106 Cb 0.25 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1xxe h PHE 106 CO -0.04 0.59 0.25 -0.92 -0.60 0.00 0.00 178.31 177.59 1xxe h TYR 107 N 0.68 1.13 -0.05 -0.55 5.03 -0.43 0.63 116.97 123.40 1xxe h TYR 107 Ca 0.17 -0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1xxe h TYR 107 Cb 0.13 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.08 1xxe h TYR 107 CO -0.00 0.88 -0.05 0.93 -1.32 0.00 0.00 178.16 178.59 1xxe h GLU 108 N 1.06 0.13 0.02 1.82 4.39 0.87 -2.04 114.58 120.84 1xxe h GLU 108 Ca 0.24 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 1xxe h GLU 108 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1xxe h GLU 108 CO -0.01 0.58 -0.01 0.00 -1.16 0.00 0.00 179.01 178.41 1xxe h ALA 109 N 0.55 -0.03 -0.58 3.43 0.00 -1.17 -3.22 119.26 118.24 1xxe h ALA 109 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xxe h ALA 109 Cb 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1xxe h ALA 109 CO 0.01 -0.11 0.35 0.82 0.00 0.00 0.00 179.25 180.32 1xxe h ILE 110 N -0.86 1.17 -0.22 0.00 2.04 -1.01 -1.80 117.51 116.83 1xxe h ILE 110 Ca -0.00 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.53 1xxe h ILE 110 Cb 0.74 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1xxe h ILE 110 CO 0.01 0.18 0.17 -0.09 0.00 0.00 0.00 178.15 178.42 1xxe h ARG 111 N 0.78 0.00 0.00 2.37 2.43 -1.49 0.38 114.38 118.86 1xxe h ARG 111 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1xxe h ARG 111 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1xxe h ARG 111 CO -0.04 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 179.59 1xxe n LYS 112 N -4.30 0.17 -1.21 0.20 4.81 -0.70 -3.54 118.16 113.59 1xxe n LYS 112 Ca 0.02 0.15 -0.07 0.00 -0.87 0.00 0.00 58.31 57.54 1xxe n LYS 112 Cb 0.32 -1.70 0.13 0.00 0.02 0.00 0.00 35.03 33.80 1xxe n LYS 112 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xxe n ASN 113 N -1.99 3.10 -4.86 3.14 4.13 0.13 -5.03 115.26 113.87 1xxe n ASN 113 Ca 0.06 -3.84 -0.34 0.00 1.68 0.00 0.00 54.58 52.14 1xxe n ASN 113 Cb 0.39 -0.45 -0.06 0.00 -1.54 0.00 0.00 39.78 38.13 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xxe s ILE 114 N -3.83 4.91 0.13 2.41 1.01 -0.98 0.39 121.20 125.25 1xxe s ILE 114 Ca 0.44 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.75 1xxe s ILE 114 Cb 0.39 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1xxe s ILE 114 CO -0.02 0.08 -0.10 -0.22 0.00 0.00 0.00 174.94 174.68 1xxe s LEU 115 N -2.40 2.49 -0.00 2.97 2.96 0.21 -4.47 118.68 120.44 1xxe s LEU 115 Ca 0.42 -0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1xxe s LEU 115 Cb -0.13 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 1xxe s LEU 115 CO 0.20 -0.30 0.14 0.20 -1.32 0.00 0.00 176.35 175.27 1xxe s ASN 116 N -2.96 6.09 0.00 3.68 0.02 -1.26 -1.87 114.94 118.65 1xxe s ASN 116 Ca 0.14 0.26 0.00 0.00 -1.02 0.00 0.00 52.86 52.24 1xxe s ASN 116 Cb 0.01 -1.85 0.00 0.00 0.02 0.00 0.00 41.25 39.43 1xxe s ASN 116 CO 0.01 0.26 0.00 0.00 0.02 0.00 0.00 177.10 177.39 1xxe n GLN 117 N 0.99 2.35 -3.48 -0.60 6.02 -0.30 -4.87 117.38 117.49 1xxe n GLN 117 Ca -0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.61 1xxe n GLN 117 Cb 0.53 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.70 1xxe n GLN 117 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1xxe n ASN 118 N -1.11 2.88 -3.63 1.08 6.94 -1.26 -4.60 115.26 115.56 1xxe n ASN 118 Ca 0.00 -3.24 -0.12 0.00 -0.02 0.00 0.00 54.58 51.20 1xxe n ASN 118 Cb 0.00 -0.68 -0.07 0.00 -2.36 0.00 0.00 39.78 36.67 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1xxe s ARG 119 N -1.97 0.71 -0.12 -3.83 3.52 -1.26 -4.94 118.95 111.07 1xxe s ARG 119 Ca 0.36 0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 1xxe s ARG 119 Cb 0.11 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1xxe s ARG 119 CO -0.07 -0.10 1.09 -2.00 -0.81 0.00 0.00 175.30 173.41 1xxe s GLU 120 N 0.22 4.36 0.32 5.12 -6.30 -1.26 0.74 118.70 121.90 1xxe s GLU 120 Ca 0.01 1.49 -0.28 0.00 -2.50 0.00 0.00 54.97 53.68 1xxe s GLU 120 Cb -0.05 -3.58 -0.10 0.00 0.00 0.00 0.00 34.13 30.41 1xxe s GLU 120 CO -0.01 -0.43 1.17 0.42 0.02 0.00 0.00 175.26 176.42 1xxe s ILE 121 N 2.37 3.22 -1.07 -3.70 1.01 -1.26 -4.73 121.20 117.04 1xxe s ILE 121 Ca 0.50 1.17 -0.19 0.00 0.00 0.00 0.00 60.65 62.14 1xxe s ILE 121 Cb -0.20 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.65 1xxe s ILE 121 CO 0.17 0.24 1.38 -0.62 0.00 0.00 0.00 174.94 176.11 1xxe s ASP 122 N -0.85 6.72 0.53 3.58 2.15 -1.26 -4.88 116.67 122.66 1xxe s ASP 122 Ca 0.49 -2.13 -0.22 0.00 0.43 0.00 0.00 52.55 51.11 1xxe s ASP 122 Cb -0.33 -2.48 -0.05 0.00 -0.30 0.00 0.00 42.92 39.76 1xxe s ASP 122 CO 0.43 -1.14 1.30 -0.31 -0.17 0.00 0.00 175.17 175.28 1xxe s TYR 123 N 3.35 2.43 -0.25 -5.34 1.51 -1.26 -4.72 117.35 113.08 1xxe s TYR 123 Ca 0.42 1.43 -0.10 0.00 -1.01 0.00 0.00 57.07 57.81 1xxe s TYR 123 Cb -0.02 -3.67 -0.04 0.00 -0.11 0.00 0.00 41.96 38.12 1xxe s TYR 123 CO -0.05 -2.51 0.14 0.12 -1.11 0.00 0.00 175.55 172.15 1xxe s PHE 124 N -1.38 3.23 -0.03 2.71 2.19 -0.25 -5.00 117.98 119.44 1xxe s PHE 124 Ca 0.70 0.04 0.06 0.00 0.33 0.00 0.00 56.93 58.06 1xxe s PHE 124 Cb -0.37 -2.29 -0.01 0.00 -1.31 0.00 0.00 43.02 39.05 1xxe s PHE 124 CO 0.43 -0.09 -0.20 0.08 1.83 0.00 0.00 175.22 177.27 1xxe s VAL 125 N 1.36 1.63 0.12 3.12 1.01 -1.26 0.28 120.40 126.65 1xxe s VAL 125 Ca 0.07 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 1xxe s VAL 125 Cb -0.15 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 1xxe s VAL 125 CO 0.06 0.46 0.87 -0.69 0.00 0.00 0.00 175.10 175.81 1xxe s VAL 126 N -0.34 4.49 -0.13 2.92 1.01 -0.68 -4.92 120.40 122.75 1xxe s VAL 126 Ca 0.04 1.89 0.02 0.00 0.00 0.00 0.00 61.98 63.93 1xxe s VAL 126 Cb -0.09 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1xxe s VAL 126 CO 0.00 0.39 0.14 -0.62 0.00 0.00 0.00 175.10 175.02 1xxe n GLU 127 N 2.41 5.62 -3.88 2.72 1.02 -1.26 -4.24 120.64 123.04 1xxe n GLU 127 Ca -0.01 -0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 1xxe n GLU 127 Cb 0.49 -0.65 -0.12 0.00 -0.02 0.00 0.00 31.44 31.14 1xxe n GLU 127 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1xxe s GLU 128 N -1.13 0.19 0.78 3.49 -1.05 -1.26 -4.83 118.70 114.89 1xxe s GLU 128 Ca 0.01 -0.12 -0.11 0.00 -0.15 0.00 0.00 54.97 54.60 1xxe s GLU 128 Cb 0.02 0.08 0.06 0.00 -0.44 0.00 0.00 34.13 33.85 1xxe s GLU 128 CO 0.09 -0.03 1.08 -1.25 0.95 0.00 0.00 175.26 176.10 1xxe s PRO 129 N -0.49 2.19 -0.09 -4.83 0.04 -1.26 -4.61 135.00 125.95 1xxe s PRO 129 Ca -0.06 0.98 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1xxe s PRO 129 Cb -0.04 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1xxe s PRO 129 CO 0.00 -1.64 0.37 -1.50 0.04 0.00 0.00 177.00 174.27 1xxe s ILE 130 N -2.98 0.02 -0.09 0.56 2.07 -0.83 -4.95 121.20 115.01 1xxe s ILE 130 Ca 0.61 -0.17 -0.00 0.00 -1.41 0.00 0.00 60.65 59.68 1xxe s ILE 130 Cb -0.16 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 41.87 1xxe s ILE 130 CO 0.56 -0.09 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.80 1xxe s ILE 131 N -0.40 0.85 -0.17 2.00 1.09 -1.26 -0.94 121.20 122.38 1xxe s ILE 131 Ca -0.05 -0.21 0.01 0.00 -1.10 0.00 0.00 60.65 59.29 1xxe s ILE 131 Cb -0.03 -0.89 0.03 0.00 -1.06 0.00 0.00 42.46 40.51 1xxe s ILE 131 CO 0.02 0.33 -0.14 0.68 -0.10 0.00 0.00 174.94 175.73 1xxe s VAL 132 N 1.52 1.69 -0.05 2.92 -7.23 -0.60 -5.00 120.40 113.65 1xxe s VAL 132 Ca 0.00 -0.78 0.06 0.00 -1.81 0.00 0.00 61.98 59.46 1xxe s VAL 132 Cb -0.13 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 1xxe s VAL 132 CO -0.05 0.41 -0.25 -0.70 -0.31 0.00 0.00 175.10 174.20 1xxe s GLU 133 N 1.43 2.42 -0.21 4.82 2.12 -1.26 -1.50 118.70 126.52 1xxe s GLU 133 Ca 0.04 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.17 1xxe s GLU 133 Cb -0.14 -2.11 0.15 0.00 0.26 0.00 0.00 34.13 32.30 1xxe s GLU 133 CO -0.11 0.41 1.15 0.34 -0.54 0.00 0.00 175.26 176.52 1xxe s ASP 134 N -0.25 -0.22 -1.62 -1.70 2.15 -0.65 -4.96 116.67 109.41 1xxe s ASP 134 Ca -0.01 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.20 1xxe s ASP 134 Cb -0.13 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 1xxe s ASP 134 CO 0.03 -0.22 0.00 -0.62 -0.17 0.00 0.00 175.17 174.19 1xxe n GLU 135 N 0.58 -1.63 -0.99 4.34 -0.58 -1.26 0.14 120.64 121.25 1xxe n GLU 135 Ca -0.06 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 1xxe n GLU 135 Cb 0.58 -5.37 0.00 0.00 -0.57 0.00 0.00 31.44 26.09 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xxe n GLY 136 N -0.58 0.53 3.83 0.62 0.00 -1.26 -5.01 105.19 103.32 1xxe n GLY 136 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1xxe n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 137 N -0.21 2.47 0.02 1.61 0.52 0.12 -4.97 118.95 118.51 1xxe s ARG 137 Ca 0.00 -1.58 -0.28 0.00 -0.52 0.00 0.00 55.73 53.34 1xxe s ARG 137 Cb 0.00 -2.28 0.07 0.00 0.52 0.00 0.00 34.95 33.26 1xxe s ARG 137 CO 0.00 -0.12 0.65 -1.17 0.02 0.00 0.00 175.30 174.68 1xxe s LEU 138 N -4.04 -0.62 -0.12 2.53 0.20 -1.01 -1.64 118.68 113.98 1xxe s LEU 138 Ca 0.45 0.46 -0.09 0.00 0.69 0.00 0.00 54.13 55.64 1xxe s LEU 138 Cb -0.02 2.56 0.04 0.00 -0.43 0.00 0.00 46.19 48.34 1xxe s LEU 138 CO 0.26 -0.74 0.31 -0.63 -0.29 0.00 0.00 176.35 175.26 1xxe s ILE 139 N -2.10 -0.01 0.01 6.68 1.01 -0.56 -0.46 121.20 125.76 1xxe s ILE 139 Ca -0.07 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1xxe s ILE 139 Cb -0.00 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 1xxe s ILE 139 CO 0.02 0.02 -0.18 -0.75 0.00 0.00 0.00 174.94 174.04 1xxe s LYS 140 N 0.62 1.38 0.10 2.79 2.20 -0.14 -1.56 119.74 125.12 1xxe s LYS 140 Ca -0.04 -0.75 0.10 0.00 -0.36 0.00 0.00 55.97 54.93 1xxe s LYS 140 Cb -0.05 -1.39 -0.04 0.00 -1.51 0.00 0.00 37.83 34.85 1xxe s LYS 140 CO -0.04 0.37 -0.25 0.00 -0.36 0.00 0.00 175.35 175.07 1xxe s ALA 141 N -0.58 2.21 -0.08 3.13 0.00 -0.11 -0.46 121.76 125.86 1xxe s ALA 141 Ca 0.06 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.60 1xxe s ALA 141 Cb -0.08 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1xxe s ALA 141 CO 0.00 0.50 0.22 -2.00 0.00 0.00 0.00 175.76 174.48 1xxe s GLU 142 N -1.75 0.23 0.51 0.00 -6.30 0.12 -1.97 118.70 109.53 1xxe s GLU 142 Ca 0.12 0.35 -0.21 0.00 -2.50 0.00 0.00 54.97 52.72 1xxe s GLU 142 Cb -0.10 0.06 -0.08 0.00 0.00 0.00 0.00 34.13 34.01 1xxe s GLU 142 CO 0.04 -0.06 0.98 -0.35 0.02 0.00 0.00 175.26 175.89 1xxe n PRO 143 N 3.28 1.16 -3.54 4.30 -0.04 -1.26 0.45 135.00 139.35 1xxe n PRO 143 Ca -0.16 0.43 -0.13 0.00 -0.04 0.00 0.00 63.50 63.60 1xxe n PRO 143 Cb 0.57 -2.10 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 1xxe n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xxe s SER 144 N -0.96 -0.49 0.00 3.54 0.15 -1.26 -4.39 113.70 110.29 1xxe s SER 144 Ca 0.68 0.45 0.26 0.00 0.70 0.00 0.00 55.95 58.05 1xxe s SER 144 Cb -0.49 0.42 1.28 0.00 -1.71 0.00 0.00 66.02 65.52 1xxe s SER 144 CO 0.53 -0.51 1.86 0.47 1.20 0.00 0.00 173.24 176.78 1xxe n ASP 145 N 0.62 0.82 -4.03 5.45 8.00 -1.26 -3.74 116.55 122.41 1xxe n ASP 145 Ca -0.14 -1.37 -0.11 0.00 0.71 0.00 0.00 54.79 53.88 1xxe n ASP 145 Cb 0.58 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xxe s THR 146 N -1.96 0.34 -0.30 -3.53 -4.23 -1.26 -4.94 115.64 99.76 1xxe s THR 146 Ca 0.39 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.59 1xxe s THR 146 Cb 0.19 -0.48 0.01 0.00 1.34 0.00 0.00 72.50 73.56 1xxe s THR 146 CO 0.31 -0.45 0.99 -0.22 -0.54 0.00 0.00 174.62 174.71 1xxe s LEU 147 N -1.57 4.00 -0.01 4.79 2.96 -1.26 -2.89 118.68 124.70 1xxe s LEU 147 Ca -0.12 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 1xxe s LEU 147 Cb -0.09 -3.41 0.01 0.00 0.50 0.00 0.00 46.19 43.19 1xxe s LEU 147 CO -0.00 -0.77 -0.01 -0.70 -1.32 0.00 0.00 176.35 173.54 1xxe s GLU 148 N 3.39 0.15 -0.00 1.98 2.12 -0.78 -3.50 118.70 122.05 1xxe s GLU 148 Ca 0.41 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.76 1xxe s GLU 148 Cb -0.13 -0.23 -0.00 0.00 0.26 0.00 0.00 34.13 34.03 1xxe s GLU 148 CO 0.13 -0.03 -0.04 0.08 -0.54 0.00 0.00 175.26 174.86 1xxe s VAL 149 N 0.36 0.29 -0.01 3.70 1.01 -0.94 -0.68 120.40 124.13 1xxe s VAL 149 Ca -0.03 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1xxe s VAL 149 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 1xxe s VAL 149 CO -0.01 0.08 -0.19 -0.89 0.00 0.00 0.00 175.10 174.09 1xxe s THR 150 N -0.05 1.53 -0.08 3.92 2.01 0.12 -0.10 115.64 122.99 1xxe s THR 150 Ca 0.01 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1xxe s THR 150 Cb -0.02 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.22 1xxe s THR 150 CO -0.00 0.41 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.70 1xxe s TYR 151 N -0.48 1.86 -0.29 4.92 5.04 -0.95 0.60 117.35 128.05 1xxe s TYR 151 Ca 0.07 -0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1xxe s TYR 151 Cb -0.08 -1.31 0.04 0.00 0.35 0.00 0.00 41.96 40.97 1xxe s TYR 151 CO -0.01 -0.33 -0.02 -2.00 -1.34 0.00 0.00 175.55 171.85 1xxe s GLU 152 N 0.55 2.51 0.03 4.97 2.12 0.12 -1.81 118.70 127.19 1xxe s GLU 152 Ca -0.16 -1.20 0.01 0.00 0.36 0.00 0.00 54.97 53.98 1xxe s GLU 152 Cb -0.17 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1xxe s GLU 152 CO 0.06 -0.57 0.05 0.20 -0.54 0.00 0.00 175.26 174.46 1xxe s GLY 153 N 1.26 1.97 -0.50 -1.50 0.00 -0.77 -0.61 107.32 107.17 1xxe s GLY 153 Ca -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1xxe s GLY 153 CO -0.02 -0.86 0.31 -1.83 0.00 0.00 0.00 173.10 170.70 1xxe s GLU 154 N -1.91 1.56 0.15 2.90 -1.05 -1.26 -2.00 118.70 117.08 1xxe s GLU 154 Ca 0.24 -2.39 -0.07 0.00 -0.15 0.00 0.00 54.97 52.61 1xxe s GLU 154 Cb -0.12 -2.54 -0.06 0.00 -0.44 0.00 0.00 34.13 30.98 1xxe s GLU 154 CO 0.15 -1.22 0.42 -0.06 0.95 0.00 0.00 175.26 175.50 1xxe s PHE 155 N -0.16 3.48 -1.05 4.83 0.08 0.18 -4.94 117.98 120.39 1xxe s PHE 155 Ca 0.22 0.66 0.25 0.00 0.12 0.00 0.00 56.93 58.18 1xxe s PHE 155 Cb -0.16 -2.09 0.53 0.00 -0.57 0.00 0.00 43.02 40.74 1xxe s PHE 155 CO -0.07 0.41 1.43 1.63 -0.10 0.00 0.00 175.22 178.52 1xxe n LYS 156 N 0.17 0.06 -0.19 0.44 5.02 -1.26 -2.83 118.16 119.57 1xxe n LYS 156 Ca -0.03 -0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.16 1xxe n LYS 156 Cb 0.52 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1xxe n LYS 156 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xxe n ASN 157 N -1.44 -1.71 0.20 4.39 6.94 -1.26 -4.63 115.26 117.74 1xxe n ASN 157 Ca 0.06 -0.51 0.18 0.00 -0.02 0.00 0.00 54.58 54.30 1xxe n ASN 157 Cb 0.34 -0.24 0.82 0.00 -2.36 0.00 0.00 39.78 38.33 1xxe n ASN 157 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 1xxe h PHE 158 N -2.01 0.00 -0.53 -2.53 -0.00 -1.47 -0.53 116.94 109.87 1xxe h PHE 158 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.83 1xxe h PHE 158 Cb 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.24 1xxe h PHE 158 CO 0.00 0.00 0.17 -0.07 -0.00 0.00 0.00 178.31 178.41 1xxe h LEU 159 N 0.00 0.77 0.00 2.10 3.38 -1.87 -3.47 115.31 116.22 1xxe h LEU 159 Ca 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xxe h LEU 159 Cb 0.68 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xxe h LEU 159 CO -0.00 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1xxe n GLY 160 N -0.71 2.68 3.46 0.83 0.00 -0.21 -4.71 105.19 106.54 1xxe n GLY 160 Ca 0.02 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1xxe n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 161 N 0.00 2.41 -0.21 1.61 0.52 -1.26 0.47 118.95 122.49 1xxe s ARG 161 Ca 0.00 -0.76 -0.20 0.00 -0.52 0.00 0.00 55.73 54.25 1xxe s ARG 161 Cb 0.00 -2.33 0.06 0.00 0.52 0.00 0.00 34.95 33.20 1xxe s ARG 161 CO 0.00 0.61 0.58 -1.14 0.02 0.00 0.00 175.30 175.36 1xxe s GLN 162 N -0.85 0.68 0.13 3.54 0.74 -0.85 -4.99 119.66 118.06 1xxe s GLN 162 Ca 0.12 0.78 0.09 0.00 0.05 0.00 0.00 55.36 56.40 1xxe s GLN 162 Cb -0.11 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.30 1xxe s GLN 162 CO 0.01 -0.09 -0.21 -1.59 -0.55 0.00 0.00 175.29 172.87 1xxe s LYS 163 N 0.26 1.21 -0.06 1.67 -2.85 -1.26 -1.84 119.74 116.86 1xxe s LYS 163 Ca -0.00 -1.27 -0.01 0.00 -1.00 0.00 0.00 55.97 53.69 1xxe s LYS 163 Cb -0.04 -1.43 0.03 0.00 -2.06 0.00 0.00 37.83 34.32 1xxe s LYS 163 CO 0.01 0.32 0.00 0.12 0.10 0.00 0.00 175.35 175.91 1xxe s PHE 164 N -1.44 0.59 -0.26 1.78 5.36 -0.75 -4.99 117.98 118.27 1xxe s PHE 164 Ca 0.10 -0.12 -0.11 0.00 -0.96 0.00 0.00 56.93 55.84 1xxe s PHE 164 Cb -0.09 -0.74 -0.05 0.00 -0.34 0.00 0.00 43.02 41.81 1xxe s PHE 164 CO 0.05 -0.30 0.20 0.99 -1.46 0.00 0.00 175.22 174.70 1xxe s THR 165 N 1.88 5.32 -0.11 0.12 2.01 -1.26 -2.25 115.64 121.35 1xxe s THR 165 Ca 0.03 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.13 1xxe s THR 165 Cb -0.12 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1xxe s THR 165 CO -0.04 0.29 0.31 0.12 -0.69 0.00 0.00 174.62 174.61 1xxe s PHE 166 N 1.41 3.56 0.15 4.92 5.36 0.85 -4.99 117.98 129.24 1xxe s PHE 166 Ca 0.08 0.71 0.06 0.00 -0.96 0.00 0.00 56.93 56.82 1xxe s PHE 166 Cb -0.15 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 1xxe s PHE 166 CO 0.08 0.42 -0.13 0.08 -1.46 0.00 0.00 175.22 174.21 1xxe s VAL 167 N -0.18 1.34 -0.07 3.12 1.01 -1.26 -2.21 120.40 122.16 1xxe s VAL 167 Ca 0.19 -1.93 -0.29 0.00 0.00 0.00 0.00 61.98 59.95 1xxe s VAL 167 Cb -0.14 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 1xxe s VAL 167 CO 0.07 -0.57 2.05 -1.61 0.00 0.00 0.00 175.10 175.04 1xxe s GLU 168 N -3.22 3.75 0.00 2.72 8.01 -1.23 -1.97 118.70 126.76 1xxe s GLU 168 Ca 0.14 2.37 0.00 0.00 0.01 0.00 0.00 54.97 57.49 1xxe s GLU 168 Cb -0.02 -4.24 0.00 0.00 -4.31 0.00 0.00 34.13 25.57 1xxe s GLU 168 CO 0.03 -1.40 0.00 0.41 0.01 0.00 0.00 175.26 174.31 1xxe n GLY 169 N 5.00 1.20 1.29 -1.39 0.00 -1.26 -4.97 105.19 105.06 1xxe n GLY 169 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1xxe n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xxe n ASN 170 N 0.00 1.13 0.16 1.61 4.13 -0.83 -4.84 115.26 116.62 1xxe n ASN 170 Ca 0.00 -2.39 0.02 0.00 1.68 0.00 0.00 54.58 53.89 1xxe n ASN 170 Cb 0.00 -0.34 0.35 0.00 -1.54 0.00 0.00 39.78 38.25 1xxe n ASN 170 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1xxe h GLU 171 N 0.97 0.07 0.00 3.52 5.08 -1.94 -2.72 114.58 119.57 1xxe h GLU 171 Ca -0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1xxe h GLU 171 Cb 1.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1xxe h GLU 171 CO 0.08 0.40 0.13 0.39 -1.00 0.00 0.00 179.01 179.01 1xxe n GLU 172 N -4.13 0.00 0.00 2.33 1.02 -1.26 -0.27 120.64 118.33 1xxe n GLU 172 Ca -0.02 0.34 0.10 0.00 -0.02 0.00 0.00 57.16 57.56 1xxe n GLU 172 Cb 0.39 -1.63 0.01 0.00 -0.02 0.00 0.00 31.44 30.18 1xxe n GLU 172 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xxe n GLU 173 N -1.33 1.50 -0.11 3.49 -0.58 -1.03 -4.38 120.64 118.20 1xxe n GLU 173 Ca 0.00 -1.00 0.05 0.00 -0.42 0.00 0.00 57.16 55.79 1xxe n GLU 173 Cb 0.13 -1.38 0.10 0.00 -0.57 0.00 0.00 31.44 29.72 1xxe n GLU 173 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1xxe n ILE 174 N 0.07 1.35 -0.04 -3.67 -5.35 0.62 -4.56 119.36 107.79 1xxe n ILE 174 Ca 0.08 -1.38 -0.03 0.00 -0.27 0.00 0.00 62.75 61.15 1xxe n ILE 174 Cb 0.42 0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.49 1xxe n ILE 174 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1xxe n VAL 175 N -0.46 0.51 1.42 7.28 0.24 -1.22 -4.53 118.33 121.58 1xxe n VAL 175 Ca 0.09 -0.35 0.14 0.00 -2.04 0.00 0.00 64.34 62.18 1xxe n VAL 175 Cb 0.46 -0.62 0.47 0.00 -1.47 0.00 0.00 33.84 32.68 1xxe n VAL 175 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xxe n LEU 176 N -2.25 1.68 -4.66 1.34 4.32 -1.26 -2.17 117.00 114.00 1xxe n LEU 176 Ca -0.12 -0.57 -0.43 0.00 -0.02 0.00 0.00 56.01 54.87 1xxe n LEU 176 Cb 0.71 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.48 1xxe n LEU 176 CO 0.19 0.28 1.07 0.00 -1.22 0.00 0.00 177.39 177.71 1xxe s ALA 177 N -1.98 3.64 0.28 -1.18 0.00 -1.26 -4.92 121.76 116.32 1xxe s ALA 177 Ca 0.37 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1xxe s ALA 177 Cb 0.21 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 1xxe s ALA 177 CO 0.33 -1.22 0.64 1.03 0.00 0.00 0.00 175.76 176.54 1xxe s ARG 178 N 3.53 3.89 0.18 0.00 0.52 -1.26 -4.56 118.95 121.25 1xxe s ARG 178 Ca 0.54 0.46 -0.33 0.00 -0.52 0.00 0.00 55.73 55.88 1xxe s ARG 178 Cb -0.20 -2.54 -0.13 0.00 0.52 0.00 0.00 34.95 32.60 1xxe s ARG 178 CO 0.14 0.24 1.68 -2.37 0.02 0.00 0.00 175.30 175.01 1xxe n THR 179 N -0.27 0.04 -3.90 0.02 5.66 0.04 -4.80 114.28 111.07 1xxe n THR 179 Ca 0.02 -0.01 -0.22 0.00 -3.05 0.00 0.00 64.05 60.79 1xxe n THR 179 Cb 0.53 -1.83 -0.05 0.00 -1.55 0.00 0.00 70.33 67.43 1xxe n THR 179 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xxe s PHE 180 N 1.27 2.76 0.12 1.09 -0.71 -1.26 -2.40 117.98 118.86 1xxe s PHE 180 Ca 0.77 -0.40 -0.16 0.00 -1.04 0.00 0.00 56.93 56.10 1xxe s PHE 180 Cb -0.57 -1.83 0.04 0.00 -1.21 0.00 0.00 43.02 39.45 1xxe s PHE 180 CO 0.35 0.18 0.41 0.00 -1.34 0.00 0.00 175.22 174.83 1xxe s PHE 182 N -3.75 3.29 0.63 0.00 0.08 -1.26 0.06 117.98 117.03 1xxe s PHE 182 Ca 0.02 0.18 0.37 0.00 0.12 0.00 0.00 56.93 57.63 1xxe s PHE 182 Cb 0.02 -1.71 2.14 0.00 -0.57 0.00 0.00 43.02 42.89 1xxe s PHE 182 CO -0.12 0.55 2.32 0.38 -0.10 0.00 0.00 175.22 178.25 1xxe h ASP 183 N 3.76 0.00 0.70 1.36 3.04 -1.81 -0.98 116.42 122.48 1xxe h ASP 183 Ca -0.48 0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.05 1xxe h ASP 183 Cb 1.17 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 1xxe h ASP 183 CO 0.65 0.00 -1.28 4.11 -2.04 0.00 0.00 179.24 180.68 1xxe h TRP 184 N 0.00 0.28 0.00 4.15 0.09 -1.94 -3.28 115.95 115.25 1xxe h TRP 184 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 58.89 58.78 1xxe h TRP 184 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.23 1xxe h TRP 184 CO 0.00 1.19 -0.42 1.05 0.09 0.00 0.00 178.44 180.35 1xxe h GLU 185 N 0.04 0.00 0.35 0.12 4.11 -1.74 -3.36 114.58 114.11 1xxe h GLU 185 Ca -0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1xxe h GLU 185 Cb 1.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.17 1xxe h GLU 185 CO 0.16 0.00 -0.20 0.82 0.07 0.00 0.00 179.01 179.86 1xxe h ILE 186 N 0.00 0.58 -0.22 -1.06 2.04 -1.27 -0.67 117.51 116.91 1xxe h ILE 186 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1xxe h ILE 186 Cb 0.82 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 1xxe h ILE 186 CO 0.00 0.00 -0.26 -0.33 0.00 0.00 0.00 178.15 177.56 1xxe h GLU 187 N -0.52 -0.27 -0.53 2.37 3.07 -1.72 0.28 114.58 117.26 1xxe h GLU 187 Ca -0.04 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 58.94 1xxe h GLU 187 Cb 0.43 0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.32 1xxe h GLU 187 CO 0.05 -0.18 0.07 1.25 -1.40 0.00 0.00 179.01 178.80 1xxe h HIS 188 N -0.28 0.10 -0.46 4.33 2.76 -1.69 1.12 115.15 121.04 1xxe h HIS 188 Ca 0.13 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1xxe h HIS 188 Cb 0.48 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1xxe h HIS 188 CO -0.40 -0.05 0.30 0.82 -1.30 0.00 0.00 177.93 177.30 1xxe h ILE 189 N 0.20 1.07 0.00 6.26 2.04 0.48 -0.54 117.51 127.01 1xxe h ILE 189 Ca 0.27 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.82 1xxe h ILE 189 Cb 0.39 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1xxe h ILE 189 CO -0.38 0.10 -0.60 0.11 0.00 0.00 0.00 178.15 177.38 1xxe h LYS 190 N 0.54 0.00 0.00 2.37 1.79 0.33 -1.86 116.57 119.74 1xxe h LYS 190 Ca 0.18 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.63 1xxe h LYS 190 Cb 0.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1xxe h LYS 190 CO -0.04 0.58 -0.11 0.87 -1.08 0.00 0.00 179.45 179.67 1xxe h LYS 191 N 0.00 0.00 -0.54 3.15 1.57 0.26 -2.94 116.57 118.07 1xxe h LYS 191 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xxe h LYS 191 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1xxe h LYS 191 CO 0.08 0.11 0.00 1.33 -0.57 0.00 0.00 179.45 180.39 1xxe n VAL 192 N -3.15 0.88 -1.73 0.50 0.24 -0.68 -4.87 118.33 109.53 1xxe n VAL 192 Ca 0.03 -0.61 -0.07 0.00 -2.04 0.00 0.00 64.34 61.64 1xxe n VAL 192 Cb 0.51 0.03 -0.01 0.00 -1.47 0.00 0.00 33.84 32.90 1xxe n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xxe n GLY 193 N 0.85 0.44 3.43 7.63 0.00 -1.11 -5.02 105.19 111.41 1xxe n GLY 193 Ca 0.14 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 1xxe n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxe s LEU 194 N -1.81 2.34 -0.32 0.99 1.43 -0.70 -4.78 118.68 115.84 1xxe s LEU 194 Ca 0.00 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 1xxe s LEU 194 Cb 0.00 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.72 1xxe s LEU 194 CO 0.00 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.71 1xxe n GLY 195 N -0.62 0.62 0.12 -3.19 0.00 -1.23 -3.38 105.19 97.51 1xxe n GLY 195 Ca -0.04 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1xxe n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe h LYS 196 N 0.24 -0.21 0.00 1.61 1.57 -1.13 -2.21 116.57 116.45 1xxe h LYS 196 Ca -0.06 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xxe h LYS 196 Cb 0.26 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1xxe h LYS 196 CO 0.09 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 1xxe n GLY 197 N -0.62 -0.73 3.72 3.86 0.00 1.07 -4.77 105.19 107.72 1xxe n GLY 197 Ca -0.09 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1xxe n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xxe s GLY 198 N -2.44 1.50 0.26 -0.02 0.00 0.76 -4.64 107.32 102.75 1xxe s GLY 198 Ca 0.17 1.41 -0.01 0.00 0.00 0.00 0.00 44.72 46.28 1xxe s GLY 198 CO 0.22 2.67 0.28 -1.35 0.00 0.00 0.00 173.10 174.92 1xxe s SER 199 N 1.15 0.60 0.00 1.64 1.04 -1.26 -5.02 113.70 111.85 1xxe s SER 199 Ca 0.71 -1.42 0.31 0.00 0.48 0.00 0.00 55.95 56.03 1xxe s SER 199 Cb -0.45 0.50 1.76 0.00 0.10 0.00 0.00 66.02 67.94 1xxe s SER 199 CO 0.31 -1.02 2.15 0.18 0.98 0.00 0.00 173.24 175.85 1xxe n LEU 200 N -0.42 0.00 0.00 2.42 4.77 -1.26 -1.23 117.00 121.28 1xxe n LEU 200 Ca 0.03 0.09 0.11 0.00 -0.03 0.00 0.00 56.01 56.20 1xxe n LEU 200 Cb 0.64 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1xxe n LEU 200 CO 0.31 -0.00 0.06 1.17 -1.33 0.00 0.00 177.39 177.59 1xxe n LYS 201 N -1.09 0.03 -0.16 3.23 4.81 -1.26 -4.35 118.16 119.37 1xxe n LYS 201 Ca 0.21 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1xxe n LYS 201 Cb 0.15 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.70 1xxe n LYS 201 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xxe n ASN 202 N -1.54 0.06 -3.73 3.14 4.13 -1.13 -4.71 115.26 111.48 1xxe n ASN 202 Ca 0.04 -1.36 -0.12 0.00 1.68 0.00 0.00 54.58 54.82 1xxe n ASN 202 Cb 0.34 -0.07 -0.11 0.00 -1.54 0.00 0.00 39.78 38.40 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xxe s THR 203 N -0.05 -0.02 -0.31 3.41 2.01 -0.36 -3.73 115.64 116.59 1xxe s THR 203 Ca 0.00 0.08 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 1xxe s THR 203 Cb 0.00 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 1xxe s THR 203 CO 0.00 0.03 0.54 -0.22 -0.69 0.00 0.00 174.62 174.28 1xxe s LEU 204 N 0.97 4.19 -0.20 4.42 2.96 -1.01 -4.43 118.68 125.59 1xxe s LEU 204 Ca -0.06 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1xxe s LEU 204 Cb -0.07 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1xxe s LEU 204 CO -0.07 -0.41 0.04 -0.69 -1.32 0.00 0.00 176.35 173.89 1xxe s VAL 205 N 2.41 4.39 -0.02 1.68 1.01 -1.26 -0.26 120.40 128.36 1xxe s VAL 205 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1xxe s VAL 205 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1xxe s VAL 205 CO 0.12 0.43 0.04 -0.76 0.00 0.00 0.00 175.10 174.92 1xxe s LEU 206 N 0.79 3.71 0.13 3.92 1.43 0.11 -2.87 118.68 125.89 1xxe s LEU 206 Ca 0.02 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1xxe s LEU 206 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1xxe s LEU 206 CO 0.02 0.30 0.18 -0.83 0.23 0.00 0.00 176.35 176.25 1xxe s GLY 207 N -1.51 1.84 0.51 -3.19 0.00 0.33 -2.19 107.32 103.11 1xxe s GLY 207 Ca 0.20 -1.06 0.41 0.00 0.00 0.00 0.00 44.72 44.27 1xxe s GLY 207 CO 0.10 -1.06 1.62 0.07 0.00 0.00 0.00 173.10 173.83 1xxe h LYS 208 N 2.59 0.03 0.00 2.90 2.10 -1.98 -2.82 116.57 119.39 1xxe h LYS 208 Ca -0.47 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1xxe h LYS 208 Cb 1.19 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1xxe h LYS 208 CO 0.67 0.02 -0.07 -3.47 -2.00 0.00 0.00 179.45 174.60 1xxe n ASP 209 N -4.28 0.00 -3.97 7.07 2.03 -1.26 -1.38 116.55 114.76 1xxe n ASP 209 Ca 0.40 -1.14 -0.11 0.00 0.52 0.00 0.00 54.79 54.46 1xxe n ASP 209 Cb 1.70 -0.03 -0.12 0.00 -0.72 0.00 0.00 41.12 41.96 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1xxe s LYS 210 N 0.00 0.28 -0.23 -0.67 1.02 -1.06 -4.98 119.74 114.10 1xxe s LYS 210 Ca 0.00 -0.48 -0.12 0.00 0.02 0.00 0.00 55.97 55.39 1xxe s LYS 210 Cb 0.00 0.00 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 1xxe s LYS 210 CO 0.00 -0.02 0.23 0.08 -0.92 0.00 0.00 175.35 174.73 1xxe s VAL 211 N -1.07 5.31 -0.05 3.17 1.01 -1.26 0.12 120.40 127.63 1xxe s VAL 211 Ca -0.11 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 1xxe s VAL 211 Cb -0.07 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.58 1xxe s VAL 211 CO -0.01 0.32 0.85 1.88 0.00 0.00 0.00 175.10 178.15 1xxe h TYR 212 N 7.42 -0.21 -2.76 5.22 -1.99 -1.88 -3.44 116.97 119.33 1xxe h TYR 212 Ca -0.38 -0.00 -0.59 0.00 2.00 0.00 0.00 58.73 59.76 1xxe h TYR 212 Cb 1.17 0.07 0.11 0.00 2.00 0.00 0.00 36.73 40.07 1xxe h TYR 212 CO 0.67 0.22 0.32 0.09 -0.00 0.00 0.00 178.16 179.46 1xxe n ASN 213 N -4.92 1.97 -0.02 3.88 5.03 -1.26 -4.89 115.26 115.05 1xxe n ASN 213 Ca -0.08 1.18 -0.13 0.00 0.87 0.00 0.00 54.58 56.43 1xxe n ASN 213 Cb 0.26 -1.37 -0.01 0.00 -1.02 0.00 0.00 39.78 37.64 1xxe n ASN 213 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1xxe h PRO 214 N 2.50 0.69 0.00 3.52 0.13 -1.97 -2.95 132.00 133.92 1xxe h PRO 214 Ca -0.43 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 1xxe h PRO 214 Cb 1.31 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1xxe h PRO 214 CO 0.63 1.11 0.00 -1.91 -0.23 0.00 0.00 178.00 177.60 1xxe n GLU 215 N -3.95 0.29 0.00 0.86 2.13 -1.26 -4.98 120.64 113.74 1xxe n GLU 215 Ca -0.05 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1xxe n GLU 215 Cb 0.67 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1xxe n GLU 215 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxe n GLY 216 N 0.06 -1.61 3.80 8.31 0.00 -1.12 -4.80 105.19 109.83 1xxe n GLY 216 Ca 0.09 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1xxe n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxe s LEU 217 N 0.00 3.92 -0.03 0.99 1.43 -1.26 -4.92 118.68 118.81 1xxe s LEU 217 Ca 0.00 1.93 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 1xxe s LEU 217 Cb 0.00 -4.47 -0.12 0.00 0.03 0.00 0.00 46.19 41.64 1xxe s LEU 217 CO 0.00 -0.68 0.80 0.03 0.23 0.00 0.00 176.35 176.73 1xxe h ARG 218 N 1.81 -0.49 -5.72 1.70 3.08 -1.98 -3.46 114.38 109.31 1xxe h ARG 218 Ca -0.49 0.03 -0.61 0.00 0.07 0.00 0.00 59.98 58.98 1xxe h ARG 218 Cb 1.22 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.27 1xxe h ARG 218 CO 0.60 -0.23 -0.55 0.71 -1.07 0.00 0.00 179.97 179.43 1xxe s TYR 219 N -3.64 2.48 -0.28 3.04 2.02 -1.26 -5.01 117.35 114.70 1xxe s TYR 219 Ca -0.10 -0.67 0.28 0.00 -0.37 0.00 0.00 57.07 56.21 1xxe s TYR 219 Cb 0.01 -1.84 0.96 0.00 -0.40 0.00 0.00 41.96 40.69 1xxe s TYR 219 CO 0.34 0.31 1.80 0.93 -1.57 0.00 0.00 175.55 177.37 1xxe h GLU 220 N 1.59 0.00 0.00 -0.62 3.07 -2.04 -3.15 114.58 113.42 1xxe h GLU 220 Ca -0.43 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.35 1xxe h GLU 220 Cb 1.25 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.00 1xxe h GLU 220 CO 0.76 0.00 -0.72 0.09 -1.40 0.00 0.00 179.01 177.74 1xxe n ASN 221 N -2.78 1.42 0.28 1.42 3.02 -1.26 -4.84 115.26 112.52 1xxe n ASN 221 Ca 0.02 -3.12 0.13 0.00 -0.03 0.00 0.00 54.58 51.59 1xxe n ASN 221 Cb 0.36 -0.44 0.80 0.00 -0.61 0.00 0.00 39.78 39.89 1xxe n ASN 221 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1xxe h GLU 222 N 1.00 0.00 0.09 3.52 -0.00 -1.94 -1.08 114.58 116.17 1xxe h GLU 222 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.14 1xxe h GLU 222 Cb 1.37 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.13 1xxe h GLU 222 CO 0.04 0.07 -0.56 -1.00 -0.00 0.00 0.00 179.01 177.56 1xxe h PRO 223 N 0.00 0.18 0.00 1.06 0.14 -1.88 -2.49 132.00 129.01 1xxe h PRO 223 Ca -0.00 -0.31 -0.03 0.00 0.14 0.00 0.00 66.00 65.80 1xxe h PRO 223 Cb 0.20 0.12 -0.00 0.00 0.14 0.00 0.00 31.00 31.46 1xxe h PRO 223 CO 0.01 1.15 -0.14 -0.39 0.14 0.00 0.00 178.00 178.77 1xxe h VAL 224 N -0.61 0.31 -0.01 1.56 -1.51 -1.92 -2.61 116.25 111.46 1xxe h VAL 224 Ca -0.10 -0.99 -0.01 0.00 -1.23 0.00 0.00 66.70 64.37 1xxe h VAL 224 Cb 1.41 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 1xxe h VAL 224 CO 0.08 0.13 -0.02 0.03 -1.23 0.00 0.00 177.57 176.57 1xxe h ARG 225 N 0.00 0.03 -0.81 5.19 3.08 -1.25 -2.25 114.38 118.37 1xxe h ARG 225 Ca -0.00 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.12 1xxe h ARG 225 Cb 0.76 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 1xxe h ARG 225 CO 0.02 0.59 0.46 1.25 -1.07 0.00 0.00 179.97 181.22 1xxe h HIS 226 N -0.52 0.83 -0.54 3.04 2.76 -1.30 0.19 115.15 119.61 1xxe h HIS 226 Ca 0.00 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 1xxe h HIS 226 Cb 0.59 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 29.25 1xxe h HIS 226 CO 0.12 0.33 0.27 0.87 -1.30 0.00 0.00 177.93 178.23 1xxe h LYS 227 N 0.77 0.51 0.01 5.26 1.79 -1.37 0.45 116.57 123.99 1xxe h LYS 227 Ca 0.39 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1xxe h LYS 227 Cb 0.37 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1xxe h LYS 227 CO -0.25 0.34 -0.01 0.28 -1.08 0.00 0.00 179.45 178.73 1xxe h VAL 228 N 0.53 1.01 -1.02 0.50 2.07 -0.35 0.14 116.25 119.13 1xxe h VAL 228 Ca 0.24 -0.09 0.25 0.00 0.82 0.00 0.00 66.70 67.92 1xxe h VAL 228 Cb 0.15 1.07 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 1xxe h VAL 228 CO -0.17 0.02 0.64 0.15 0.02 0.00 0.00 177.57 178.24 1xxe h PHE 229 N -0.06 0.76 -0.07 1.57 3.57 0.15 0.32 116.94 123.19 1xxe h PHE 229 Ca -0.00 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.29 1xxe h PHE 229 Cb 0.05 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.58 1xxe h PHE 229 CO -0.07 0.09 -0.90 -0.44 -2.23 0.00 0.00 178.31 174.77 1xxe h ASP 230 N 0.48 0.86 -0.79 0.41 5.19 0.23 -2.59 116.42 120.21 1xxe h ASP 230 Ca 0.59 -0.63 0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1xxe h ASP 230 Cb 1.35 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.55 1xxe h ASP 230 CO -0.33 1.42 0.52 0.25 -3.12 0.00 0.00 179.24 177.98 1xxe h LEU 231 N 0.44 0.69 -0.03 1.55 5.85 0.23 -0.73 115.31 123.31 1xxe h LEU 231 Ca -0.08 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1xxe h LEU 231 Cb 1.53 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1xxe h LEU 231 CO 0.18 0.42 -0.09 0.40 -0.34 0.00 0.00 178.44 179.01 1xxe h ILE 232 N 0.77 1.46 -1.03 4.05 2.04 -1.29 -1.90 117.51 121.62 1xxe h ILE 232 Ca 0.36 -1.50 0.28 0.00 1.00 0.00 0.00 64.86 64.99 1xxe h ILE 232 Cb 0.37 2.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.77 1xxe h ILE 232 CO -0.13 0.41 0.70 1.23 0.00 0.00 0.00 178.15 180.36 1xxe h GLY 233 N -0.44 0.52 1.76 5.37 0.00 -0.91 0.61 103.07 109.97 1xxe h GLY 233 Ca -0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 47.33 47.05 1xxe h GLY 233 CO 0.02 -0.05 -0.99 -0.55 0.00 0.00 0.00 176.54 174.97 1xxe h ASP 234 N 0.18 0.00 1.68 0.19 5.19 -0.99 -3.28 116.42 119.40 1xxe h ASP 234 Ca 0.53 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.87 1xxe h ASP 234 Cb 1.73 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 1xxe h ASP 234 CO -0.13 0.81 -0.30 -0.07 -3.12 0.00 0.00 179.24 176.43 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.91 -3.05 115.31 118.11 1xxe h LEU 235 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xxe h LEU 235 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1xxe h LEU 235 CO 0.10 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.93 1xxe n TYR 236 N -3.18 0.00 0.09 1.13 9.36 0.29 -2.74 117.16 122.12 1xxe n TYR 236 Ca 0.03 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.45 1xxe n TYR 236 Cb 0.65 -0.41 0.74 0.00 -0.63 0.00 0.00 39.34 39.69 1xxe n TYR 236 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1xxe h LEU 237 N 0.00 0.00 -2.63 2.98 3.38 -1.67 0.83 115.31 118.19 1xxe h LEU 237 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xxe h LEU 237 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xxe h LEU 237 CO 0.00 0.00 0.08 -0.07 0.09 0.00 0.00 178.44 178.54 1xxe h LEU 238 N 0.00 0.00 0.00 1.67 3.38 -1.79 -3.30 115.31 115.27 1xxe h LEU 238 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1xxe h LEU 238 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1xxe h LEU 238 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1xxe n GLY 239 N -1.20 0.65 3.47 0.83 0.00 0.29 -5.03 105.19 104.21 1xxe n GLY 239 Ca -0.02 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 1xxe n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxe s SER 240 N -2.22 -0.58 0.17 1.61 1.04 -1.26 -4.85 113.70 107.61 1xxe s SER 240 Ca 0.00 0.64 -0.33 0.00 0.48 0.00 0.00 55.95 56.74 1xxe s SER 240 Cb 0.00 0.53 -0.16 0.00 0.10 0.00 0.00 66.02 66.49 1xxe s SER 240 CO 0.00 -0.57 1.16 -2.65 0.98 0.00 0.00 173.24 172.16 1xxe n PRO 241 N 1.04 1.13 -3.79 4.02 -0.01 -1.26 -4.65 135.00 131.47 1xxe n PRO 241 Ca -0.19 0.40 -0.36 0.00 -0.01 0.00 0.00 63.50 63.34 1xxe n PRO 241 Cb 0.57 -1.90 -0.07 0.00 -0.01 0.00 0.00 33.50 32.09 1xxe n PRO 241 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1xxe s VAL 242 N -0.18 5.41 -0.14 -1.45 1.01 -1.26 -1.09 120.40 122.70 1xxe s VAL 242 Ca 0.74 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1xxe s VAL 242 Cb -0.86 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1xxe s VAL 242 CO 0.52 0.50 -0.22 -0.54 0.00 0.00 0.00 175.10 175.36 1xxe s LYS 243 N -0.09 2.98 0.00 2.72 -0.14 0.14 -4.61 119.74 120.74 1xxe s LYS 243 Ca 0.10 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.87 1xxe s LYS 243 Cb -0.11 -2.41 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 1xxe s LYS 243 CO 0.00 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 174.99 1xxe n GLY 244 N 4.07 1.56 3.52 -3.33 0.00 -1.14 -1.68 105.19 108.19 1xxe n GLY 244 Ca -0.20 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 1xxe n GLY 244 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxe s LYS 245 N -1.96 3.62 0.09 1.61 2.20 0.17 -1.87 119.74 123.61 1xxe s LYS 245 Ca 0.00 -0.54 0.09 0.00 -0.36 0.00 0.00 55.97 55.16 1xxe s LYS 245 Cb 0.00 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1xxe s LYS 245 CO 0.00 -0.32 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.40 1xxe s PHE 246 N 1.70 2.47 -0.02 4.03 0.40 0.15 0.11 117.98 126.82 1xxe s PHE 246 Ca 0.06 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.12 1xxe s PHE 246 Cb -0.17 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 1xxe s PHE 246 CO 0.09 0.30 -0.12 -0.47 0.70 0.00 0.00 175.22 175.72 1xxe s TYR 247 N -1.01 1.18 -0.06 0.36 6.14 0.39 -0.71 117.35 123.64 1xxe s TYR 247 Ca 0.15 -0.26 0.01 0.00 0.64 0.00 0.00 57.07 57.61 1xxe s TYR 247 Cb -0.10 -0.78 0.02 0.00 0.42 0.00 0.00 41.96 41.52 1xxe s TYR 247 CO 0.07 -0.06 -0.04 -1.54 0.64 0.00 0.00 175.55 174.61 1xxe s SER 248 N -0.13 1.22 -0.29 4.32 1.04 0.20 -0.97 113.70 119.09 1xxe s SER 248 Ca 0.02 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1xxe s SER 248 Cb -0.07 -0.50 0.01 0.00 0.10 0.00 0.00 66.02 65.57 1xxe s SER 248 CO 0.00 -0.08 0.07 0.12 0.98 0.00 0.00 173.24 174.33 1xxe s PHE 249 N 1.17 3.15 -1.30 5.02 2.19 0.39 0.16 117.98 128.75 1xxe s PHE 249 Ca -0.07 -1.08 -0.18 0.00 0.33 0.00 0.00 56.93 55.93 1xxe s PHE 249 Cb -0.14 -2.23 0.01 0.00 -1.31 0.00 0.00 43.02 39.35 1xxe s PHE 249 CO -0.01 -0.61 0.52 0.54 1.83 0.00 0.00 175.22 177.49 1xxe n ARG 250 N 4.84 -1.25 -2.78 10.12 5.12 0.22 -2.39 116.66 130.54 1xxe n ARG 250 Ca -0.15 0.24 -0.36 0.00 -1.93 0.00 0.00 57.85 55.65 1xxe n ARG 250 Cb 0.48 -3.53 -0.06 0.00 -1.16 0.00 0.00 32.46 28.18 1xxe n ARG 250 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1xxe s GLY 251 N -3.86 2.69 0.31 -0.13 0.00 -1.26 -4.47 107.32 100.60 1xxe s GLY 251 Ca 0.29 0.50 0.09 0.00 0.00 0.00 0.00 44.72 45.61 1xxe s GLY 251 CO 0.93 0.91 0.05 -0.32 0.00 0.00 0.00 173.10 174.67 1xxe s GLY 252 N -1.75 1.85 0.12 0.20 0.00 -1.26 -4.98 107.32 101.50 1xxe s GLY 252 Ca 0.54 -1.79 -0.21 0.00 0.00 0.00 0.00 44.72 43.27 1xxe s GLY 252 CO 0.21 -1.78 1.71 0.45 0.00 0.00 0.00 173.10 173.69 1xxe h HIS 253 N 1.76 -0.11 0.52 1.90 3.86 -1.95 0.85 115.15 121.98 1xxe h HIS 253 Ca -0.44 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.77 1xxe h HIS 253 Cb 1.25 0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.79 1xxe h HIS 253 CO 0.67 -0.08 -0.30 1.03 0.86 0.00 0.00 177.93 180.11 1xxe h SER 254 N -0.01 -0.73 -1.00 2.45 0.87 -1.90 -1.49 113.55 111.74 1xxe h SER 254 Ca 0.08 0.04 0.16 0.00 -1.23 0.00 0.00 61.79 60.84 1xxe h SER 254 Cb 0.14 0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 62.21 1xxe h SER 254 CO -0.18 -0.48 0.62 0.25 -0.53 0.00 0.00 176.83 176.51 1xxe h LEU 255 N -0.77 0.82 0.35 2.23 5.85 -1.92 -0.82 115.31 121.06 1xxe h LEU 255 Ca -0.06 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xxe h LEU 255 Cb 0.61 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1xxe h LEU 255 CO 0.08 0.35 -0.25 0.78 -0.34 0.00 0.00 178.44 179.07 1xxe h ASN 256 N 0.83 -0.63 -0.93 1.25 -0.26 -0.27 -1.71 115.58 113.86 1xxe h ASN 256 Ca 0.54 0.04 0.22 0.00 -0.56 0.00 0.00 56.30 56.55 1xxe h ASN 256 Cb 0.76 0.20 -0.12 0.00 -1.06 0.00 0.00 38.32 38.10 1xxe h ASN 256 CO -0.33 -0.38 0.48 0.58 -1.06 0.00 0.00 177.43 176.72 1xxe h VAL 257 N -0.59 0.54 -0.32 2.81 2.07 -0.15 0.15 116.25 120.75 1xxe h VAL 257 Ca -0.03 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1xxe h VAL 257 Cb 0.50 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1xxe h VAL 257 CO 0.01 0.09 0.01 0.11 0.02 0.00 0.00 177.57 177.82 1xxe h LYS 258 N 0.50 0.11 -0.89 1.57 1.57 -0.51 0.56 116.57 119.48 1xxe h LYS 258 Ca 0.58 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.50 1xxe h LYS 258 Cb 1.06 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.25 1xxe h LYS 258 CO -0.48 0.07 0.48 1.25 -0.57 0.00 0.00 179.45 180.20 1xxe h LEU 259 N 0.11 0.61 -0.16 2.94 5.85 -0.27 -0.38 115.31 124.00 1xxe h LEU 259 Ca 0.15 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1xxe h LEU 259 Cb 0.20 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1xxe h LEU 259 CO -0.24 0.26 -0.22 0.58 -0.34 0.00 0.00 178.44 178.48 1xxe h VAL 260 N 0.68 1.35 -0.25 1.05 2.07 -0.52 -2.43 116.25 118.20 1xxe h VAL 260 Ca 0.48 -1.43 0.06 0.00 0.82 0.00 0.00 66.70 66.63 1xxe h VAL 260 Cb 0.67 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 1xxe h VAL 260 CO -0.35 0.43 -0.13 0.11 0.02 0.00 0.00 177.57 177.65 1xxe h LYS 261 N 0.06 -0.10 -0.19 1.57 1.57 0.14 0.53 116.57 120.15 1xxe h LYS 261 Ca 0.02 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xxe h LYS 261 Cb 0.79 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1xxe h LYS 261 CO 0.05 -0.06 0.08 0.93 -0.57 0.00 0.00 179.45 179.88 1xxe h GLU 262 N -0.10 0.29 -0.56 3.15 4.39 -1.17 -0.24 114.58 120.35 1xxe h GLU 262 Ca 0.13 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1xxe h GLU 262 Cb 0.30 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1xxe h GLU 262 CO -0.31 0.35 0.37 -0.07 -1.16 0.00 0.00 179.01 178.19 1xxe h LEU 263 N 0.16 0.63 -1.13 1.33 3.38 -0.92 0.21 115.31 118.97 1xxe h LEU 263 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 263 Cb 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xxe h LEU 263 CO -0.01 0.45 0.01 0.00 0.09 0.00 0.00 178.44 178.99 1xxe h ALA 264 N 1.21 1.29 0.00 1.53 0.00 0.27 -1.72 119.26 121.83 1xxe h ALA 264 Ca 0.21 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1xxe h ALA 264 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xxe h ALA 264 CO -0.05 0.48 -0.46 0.87 0.00 0.00 0.00 179.25 180.09 1xxe h LYS 265 N 0.59 0.00 -0.12 0.00 1.57 -0.27 -2.96 116.57 115.38 1xxe h LYS 265 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1xxe h LYS 265 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xxe h LYS 265 CO 0.01 0.46 0.00 0.87 -0.57 0.00 0.00 179.45 180.23 1xxe h LYS 266 N 0.00 0.20 -0.24 3.15 1.57 0.29 -2.56 116.57 118.99 1xxe h LYS 266 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xxe h LYS 266 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1xxe h LYS 266 CO 0.06 0.44 0.00 1.04 -0.57 0.00 0.00 179.45 180.42 1xxe n GLN 267 N -4.81 1.37 0.11 3.15 3.00 -0.97 -3.46 117.38 115.77 1xxe n GLN 267 Ca -0.06 -0.51 0.11 0.00 -0.01 0.00 0.00 57.00 56.54 1xxe n GLN 267 Cb 0.20 -1.17 0.01 0.00 0.00 0.00 0.00 30.24 29.27 1xxe n GLN 267 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1xxe h LYS 268 N 0.80 0.00 0.00 -1.09 3.64 -1.28 -3.28 116.57 115.36 1xxe h LYS 268 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xxe h LYS 268 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xxe h LYS 268 CO 0.01 0.00 -0.29 1.28 -2.27 0.00 0.00 179.45 178.18 1xxe n LEU 269 N -2.71 0.31 0.00 5.20 4.77 -1.23 -5.10 117.00 118.24 1xxe n LEU 269 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1xxe n LEU 269 Cb 0.55 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1xxe n LEU 269 CO 0.40 0.06 0.00 0.35 -1.33 0.00 0.00 177.39 176.87