#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 0.50 -5.06 3.23 1.02 0.58 -4.64 120.64 116.26 1xxe n GLU 4 Ca 0.00 0.18 -0.30 0.00 -0.02 0.00 0.00 57.16 57.01 1xxe n GLU 4 Cb 0.00 -1.35 -0.15 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.29 1.93 0.23 3.49 2.47 -1.26 -0.42 119.74 124.88 1xxe s LYS 5 Ca 0.62 -1.04 -0.01 0.00 -1.56 0.00 0.00 55.97 53.98 1xxe s LYS 5 Cb -0.76 -2.01 -0.03 0.00 -1.46 0.00 0.00 37.83 33.58 1xxe s LYS 5 CO 0.58 0.53 0.21 -0.08 0.16 0.00 0.00 175.35 176.76 1xxe s THR 6 N -0.73 0.00 0.16 3.43 -1.32 -0.50 -1.99 115.64 114.70 1xxe s THR 6 Ca 0.11 -1.91 -0.28 0.00 -1.21 0.00 0.00 61.69 58.40 1xxe s THR 6 Cb -0.10 -2.47 -0.07 0.00 -1.51 0.00 0.00 72.50 68.35 1xxe s THR 6 CO 0.01 0.00 0.88 0.68 -2.21 0.00 0.00 174.62 173.98 1xxe s VAL 7 N -3.98 4.35 0.02 5.08 -7.23 -1.26 0.59 120.40 117.97 1xxe s VAL 7 Ca 0.37 1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 62.25 1xxe s VAL 7 Cb 0.05 -4.25 -0.16 0.00 0.56 0.00 0.00 36.38 32.58 1xxe s VAL 7 CO 0.14 0.44 1.30 0.50 -0.31 0.00 0.00 175.10 177.18 1xxe h LYS 8 N 4.78 0.29 -5.38 4.82 3.64 -0.37 -3.41 116.57 120.94 1xxe h LYS 8 Ca -0.45 -0.17 -0.40 0.00 -1.27 0.00 0.00 60.65 58.36 1xxe h LYS 8 Cb 1.21 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.89 1xxe h LYS 8 CO 0.69 0.73 -0.73 -2.00 -2.27 0.00 0.00 179.45 175.86 1xxe s GLU 9 N -4.18 1.19 0.28 1.90 -6.30 -1.26 -4.99 118.70 105.33 1xxe s GLU 9 Ca -0.14 -1.48 -0.30 0.00 -2.50 0.00 0.00 54.97 50.54 1xxe s GLU 9 Cb 0.04 -0.92 -0.12 0.00 0.00 0.00 0.00 34.13 33.13 1xxe s GLU 9 CO 0.74 0.15 1.64 1.17 0.02 0.00 0.00 175.26 178.98 1xxe n LYS 10 N -0.16 2.75 -4.46 4.30 4.81 -1.26 -4.88 118.16 119.25 1xxe n LYS 10 Ca -0.10 0.98 -0.23 0.00 -0.87 0.00 0.00 58.31 58.09 1xxe n LYS 10 Cb 0.60 -2.78 -0.10 0.00 0.02 0.00 0.00 35.03 32.76 1xxe n LYS 10 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xxe s LEU 11 N -0.11 2.60 -0.05 3.14 1.43 -0.76 -4.97 118.68 119.96 1xxe s LEU 11 Ca 0.66 -1.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.45 1xxe s LEU 11 Cb -0.49 -1.02 0.06 0.00 0.03 0.00 0.00 46.19 44.77 1xxe s LEU 11 CO 0.45 -0.03 0.58 -0.94 0.23 0.00 0.00 176.35 176.63 1xxe s SER 12 N -3.49 -0.53 0.26 2.29 1.04 -1.26 -0.47 113.70 111.53 1xxe s SER 12 Ca 0.29 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.33 1xxe s SER 12 Cb -0.03 0.51 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 1xxe s SER 12 CO 0.14 -0.55 -0.00 -0.36 0.98 0.00 0.00 173.24 173.45 1xxe s PHE 13 N -1.16 1.72 -0.21 5.02 0.40 -0.29 -4.95 117.98 118.51 1xxe s PHE 13 Ca -0.11 -0.89 -0.14 0.00 -0.60 0.00 0.00 56.93 55.18 1xxe s PHE 13 Cb -0.02 -1.02 0.06 0.00 0.51 0.00 0.00 43.02 42.56 1xxe s PHE 13 CO 0.08 0.03 0.53 -1.83 0.70 0.00 0.00 175.22 174.73 1xxe s GLU 14 N -3.85 0.56 0.00 0.44 -1.05 -1.26 -1.47 118.70 112.07 1xxe s GLU 14 Ca 0.30 0.89 0.00 0.00 -0.15 0.00 0.00 54.97 56.02 1xxe s GLU 14 Cb 0.06 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1xxe s GLU 14 CO 0.11 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.60 1xxe n GLY 15 N 3.75 1.72 3.74 -3.83 0.00 -0.72 -4.99 105.19 104.87 1xxe n GLY 15 Ca -0.19 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 2.96 -0.02 1.61 0.11 -1.26 -2.21 120.40 119.59 1xxe s VAL 16 Ca 0.00 0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 59.24 1xxe s VAL 16 Cb 0.00 -2.68 -0.05 0.00 -1.53 0.00 0.00 36.38 32.12 1xxe s VAL 16 CO 0.00 -0.40 0.35 -0.83 -3.33 0.00 0.00 175.10 170.89 1xxe s GLY 17 N -3.15 2.39 0.10 6.54 0.00 -0.70 -1.46 107.32 111.04 1xxe s GLY 17 Ca 0.63 -0.33 -0.23 0.00 0.00 0.00 0.00 44.72 44.79 1xxe s GLY 17 CO 0.56 -0.01 1.72 1.19 0.00 0.00 0.00 173.10 176.56 1xxe h ILE 18 N 3.66 0.88 0.16 0.90 2.10 -1.83 0.52 117.51 123.90 1xxe h ILE 18 Ca -0.52 0.00 -0.34 0.00 1.08 0.00 0.00 64.86 65.08 1xxe h ILE 18 Cb 1.22 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1xxe h ILE 18 CO 0.61 0.00 -1.75 0.45 -1.08 0.00 0.00 178.15 176.38 1xxe h HIS 19 N -0.07 0.61 -0.13 2.19 3.86 -1.89 2.33 115.15 122.05 1xxe h HIS 19 Ca 0.02 -0.45 -0.19 0.00 -1.16 0.00 0.00 60.37 58.60 1xxe h HIS 19 Cb 0.10 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 1xxe h HIS 19 CO -0.12 1.62 -0.68 1.79 0.86 0.00 0.00 177.93 181.40 1xxe h THR 20 N 0.09 1.34 -1.35 2.45 1.35 -1.93 -2.30 112.91 112.56 1xxe h THR 20 Ca -0.34 -1.99 -0.34 0.00 -0.55 0.00 0.00 66.41 63.20 1xxe h THR 20 Cb 2.07 1.97 -0.09 0.00 -1.73 0.00 0.00 68.15 70.37 1xxe h THR 20 CO 0.16 0.61 -0.35 0.61 -0.25 0.00 0.00 175.52 176.30 1xxe n GLY 21 N 0.49 0.95 3.52 5.82 0.00 0.18 -4.63 105.19 111.52 1xxe n GLY 21 Ca -0.05 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1xxe n GLY 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xxe s GLU 22 N -3.91 1.88 0.08 1.61 4.04 -1.26 -4.76 118.70 116.37 1xxe s GLU 22 Ca 0.00 -1.33 -0.31 0.00 0.04 0.00 0.00 54.97 53.37 1xxe s GLU 22 Cb 0.00 -2.06 -0.07 0.00 0.02 0.00 0.00 34.13 32.02 1xxe s GLU 22 CO 0.00 0.43 1.33 -0.47 -1.84 0.00 0.00 175.26 174.70 1xxe s TYR 23 N -1.64 3.26 0.12 4.83 6.14 -1.26 -1.72 117.35 127.07 1xxe s TYR 23 Ca 0.23 1.05 0.04 0.00 0.64 0.00 0.00 57.07 59.04 1xxe s TYR 23 Cb -0.09 -3.59 -0.04 0.00 0.42 0.00 0.00 41.96 38.66 1xxe s TYR 23 CO 0.13 -2.01 -0.10 0.45 0.64 0.00 0.00 175.55 174.66 1xxe s SER 24 N 1.19 1.65 0.06 4.32 0.15 -0.94 -4.88 113.70 115.26 1xxe s SER 24 Ca 0.62 -0.92 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1xxe s SER 24 Cb -0.34 -0.00 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 1xxe s SER 24 CO 0.29 -0.30 -0.09 -0.75 1.20 0.00 0.00 173.24 173.60 1xxe s LYS 25 N -3.30 0.66 0.06 5.44 2.20 -0.76 -1.75 119.74 122.28 1xxe s LYS 25 Ca 0.12 -0.95 0.05 0.00 -0.36 0.00 0.00 55.97 54.83 1xxe s LYS 25 Cb 0.00 -0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 35.93 1xxe s LYS 25 CO 0.00 0.05 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.39 1xxe s LEU 26 N -2.00 2.23 -0.04 5.43 1.43 -0.54 -0.68 118.68 124.50 1xxe s LEU 26 Ca -0.03 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1xxe s LEU 26 Cb -0.06 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1xxe s LEU 26 CO -0.00 -0.02 -0.03 -0.63 0.23 0.00 0.00 176.35 175.89 1xxe s ILE 27 N -1.08 0.46 -0.16 -0.59 1.01 -0.62 -1.13 121.20 119.09 1xxe s ILE 27 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 1xxe s ILE 27 Cb -0.09 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1xxe s ILE 27 CO 0.02 0.21 -0.13 -0.63 0.00 0.00 0.00 174.94 174.41 1xxe s ILE 28 N 0.98 2.88 0.10 2.92 1.01 0.38 0.03 121.20 129.50 1xxe s ILE 28 Ca -0.10 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 59.94 1xxe s ILE 28 Cb -0.14 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 1xxe s ILE 28 CO -0.00 0.50 -0.22 -1.00 0.00 0.00 0.00 174.94 174.22 1xxe s HIS 29 N 0.80 1.87 0.90 3.97 3.76 -0.85 -1.83 115.29 123.92 1xxe s HIS 29 Ca -0.05 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.35 1xxe s HIS 29 Cb -0.15 -1.03 0.14 0.00 1.11 0.00 0.00 32.58 32.64 1xxe s HIS 29 CO 0.01 0.21 1.13 -1.25 -0.85 0.00 0.00 174.74 173.99 1xxe s PRO 30 N -1.86 1.15 0.36 8.40 0.04 -1.26 -1.25 135.00 140.58 1xxe s PRO 30 Ca 0.08 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.58 1xxe s PRO 30 Cb -0.10 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1xxe s PRO 30 CO 0.04 -2.49 0.19 0.39 0.04 0.00 0.00 177.00 175.17 1xxe n GLU 31 N -4.13 0.51 -2.80 4.56 -0.58 -1.25 -4.64 120.64 112.31 1xxe n GLU 31 Ca 0.11 -3.26 -0.34 0.00 -0.42 0.00 0.00 57.16 53.24 1xxe n GLU 31 Cb 0.52 2.12 -0.07 0.00 -0.57 0.00 0.00 31.44 33.45 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 -3.42 4.36 0.60 3.49 2.47 -1.26 -4.92 119.74 121.06 1xxe s LYS 32 Ca 0.27 1.20 -0.18 0.00 -1.56 0.00 0.00 55.97 55.70 1xxe s LYS 32 Cb 0.01 -2.41 -0.09 0.00 -1.46 0.00 0.00 37.83 33.88 1xxe s LYS 32 CO 0.19 0.08 0.43 0.39 0.16 0.00 0.00 175.35 176.61 1xxe n GLU 33 N -0.19 0.41 -1.61 4.03 4.71 -1.26 -1.34 120.64 125.39 1xxe n GLU 33 Ca 0.05 0.16 -0.20 0.00 -0.01 0.00 0.00 57.16 57.16 1xxe n GLU 33 Cb 0.53 -1.63 -0.08 0.00 -1.01 0.00 0.00 31.44 29.24 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 1.84 0.10 0.62 0.00 -1.26 -4.86 105.19 103.51 1xxe n GLY 34 Ca 0.11 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 1.52 0.00 2.61 2.02 -1.58 -3.51 112.91 113.98 1xxe h THR 35 Ca -0.41 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.30 1xxe h THR 35 Cb 1.31 3.18 0.00 0.00 -1.74 0.00 0.00 68.15 70.90 1xxe h THR 35 CO 0.60 0.68 0.00 0.61 0.37 0.00 0.00 175.52 177.78 1xxe n GLY 36 N 1.65 -1.39 3.59 2.16 0.00 -1.26 -4.92 105.19 105.02 1xxe n GLY 36 Ca -0.15 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 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 4.93 0.04 -0.61 -1.09 -1.19 -2.36 121.20 120.93 1xxe s ILE 37 Ca 0.00 0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 1xxe s ILE 37 Cb 0.00 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1xxe s ILE 37 CO 0.00 0.36 -0.05 0.00 -1.23 0.00 0.00 174.94 174.01 1xxe s ARG 38 N 1.15 0.51 0.18 2.79 1.70 -1.04 -1.95 118.95 122.28 1xxe s ARG 38 Ca 0.06 -0.87 0.09 0.00 -0.47 0.00 0.00 55.73 54.54 1xxe s ARG 38 Cb -0.14 -0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.15 1xxe s ARG 38 CO 0.04 -0.02 -0.10 -0.06 -1.08 0.00 0.00 175.30 174.08 1xxe s PHE 39 N -2.17 2.62 -0.01 5.89 0.08 -0.23 -1.41 117.98 122.75 1xxe s PHE 39 Ca -0.06 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.80 1xxe s PHE 39 Cb -0.05 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1xxe s PHE 39 CO -0.03 0.51 -0.12 0.12 -0.10 0.00 0.00 175.22 175.61 1xxe s PHE 40 N -1.70 1.08 -0.28 0.36 2.19 -0.81 0.60 117.98 119.41 1xxe s PHE 40 Ca 0.25 -0.23 -0.23 0.00 0.33 0.00 0.00 56.93 57.05 1xxe s PHE 40 Cb -0.09 -0.72 0.13 0.00 -1.31 0.00 0.00 43.02 41.04 1xxe s PHE 40 CO 0.15 -0.05 1.05 0.21 1.83 0.00 0.00 175.22 178.41 1xxe s LYS 41 N -0.16 0.45 -1.83 10.12 2.20 -0.74 -1.02 119.74 128.77 1xxe s LYS 41 Ca 0.02 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1xxe s LYS 41 Cb -0.06 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1xxe s LYS 41 CO -0.00 -0.06 0.00 0.09 -0.36 0.00 0.00 175.35 175.02 1xxe n ASN 42 N 2.45 -5.82 -1.26 1.43 3.02 -1.26 -1.40 115.26 112.43 1xxe n ASN 42 Ca -0.13 0.05 -0.11 0.00 -0.03 0.00 0.00 54.58 54.36 1xxe n ASN 42 Cb 0.56 -4.87 -0.00 0.00 -0.61 0.00 0.00 39.78 34.86 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xxe n GLY 43 N -0.94 -0.05 2.86 7.41 0.00 -1.26 -5.01 105.19 108.20 1xxe n GLY 43 Ca -0.24 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.57 0.34 0.26 1.61 1.01 -0.49 -5.14 120.40 115.43 1xxe s VAL 44 Ca 0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 1xxe s VAL 44 Cb -0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 1xxe s VAL 44 CO 0.02 0.17 0.80 -0.31 0.00 0.00 0.00 175.10 175.79 1xxe s TYR 45 N 0.82 3.66 -0.30 5.22 2.02 -1.26 -1.79 117.35 125.73 1xxe s TYR 45 Ca -0.09 1.53 -0.03 0.00 -0.37 0.00 0.00 57.07 58.10 1xxe s TYR 45 Cb -0.13 -2.73 0.11 0.00 -0.40 0.00 0.00 41.96 38.81 1xxe s TYR 45 CO -0.01 0.29 0.16 0.42 -1.57 0.00 0.00 175.55 174.84 1xxe s ILE 46 N -1.56 -0.09 0.48 2.71 1.01 0.20 -4.96 121.20 118.99 1xxe s ILE 46 Ca 0.46 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 60.08 1xxe s ILE 46 Cb -0.17 -0.99 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 1xxe s ILE 46 CO 0.22 -0.72 1.00 -2.65 0.00 0.00 0.00 174.94 172.79 1xxe n PRO 47 N 5.16 1.25 -3.15 2.79 -0.02 -1.26 -1.06 135.00 138.70 1xxe n PRO 47 Ca -0.04 0.46 -0.45 0.00 -2.02 0.00 0.00 63.50 61.44 1xxe n PRO 47 Cb 0.42 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.36 3.97 0.05 3.55 0.00 -0.82 -4.81 121.76 122.34 1xxe s ALA 48 Ca 0.67 -3.25 0.00 0.00 0.00 0.00 0.00 51.96 49.38 1xxe s ALA 48 Cb -0.51 -3.78 -0.03 0.00 0.00 0.00 0.00 23.12 18.80 1xxe s ALA 48 CO 0.54 -2.55 -0.04 0.50 0.00 0.00 0.00 175.76 174.20 1xxe s ARG 49 N 0.89 0.52 0.22 0.00 3.52 -1.26 -4.46 118.95 118.38 1xxe s ARG 49 Ca 0.28 -0.93 -0.08 0.00 -0.13 0.00 0.00 55.73 54.87 1xxe s ARG 49 Cb -0.07 0.02 0.33 0.00 -1.56 0.00 0.00 34.95 33.67 1xxe s ARG 49 CO -0.08 -0.04 1.72 1.12 -0.81 0.00 0.00 175.30 177.21 1xxe h HIS 50 N 3.91 0.32 -1.16 5.12 2.07 -1.94 0.24 115.15 123.70 1xxe h HIS 50 Ca -0.34 0.03 0.33 0.00 -2.85 0.00 0.00 60.37 57.55 1xxe h HIS 50 Cb 1.18 -0.04 -0.05 0.00 2.57 0.00 0.00 27.41 31.06 1xxe h HIS 50 CO 0.61 0.02 0.82 0.93 -3.07 0.00 0.00 177.93 177.24 1xxe h GLU 51 N 0.34 0.05 -0.04 5.12 5.08 -1.96 1.67 114.58 124.84 1xxe h GLU 51 Ca 0.34 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1xxe h GLU 51 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xxe h GLU 51 CO -0.38 0.03 0.00 1.19 -1.00 0.00 0.00 179.01 178.85 1xxe n PHE 52 N -4.25 0.05 -1.80 4.33 3.72 0.83 -4.85 117.46 115.49 1xxe n PHE 52 Ca 0.25 -0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 1xxe n PHE 52 Cb 1.19 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.70 1xxe n PHE 52 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xxe s VAL 53 N -1.95 2.43 -0.05 -4.37 1.01 0.57 -2.19 120.40 115.85 1xxe s VAL 53 Ca 0.28 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1xxe s VAL 53 Cb 0.13 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 1xxe s VAL 53 CO 0.22 0.01 0.01 1.33 0.00 0.00 0.00 175.10 176.67 1xxe n VAL 54 N 4.28 0.32 -3.66 2.92 0.24 -1.02 -4.87 118.33 116.54 1xxe n VAL 54 Ca 0.16 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.34 62.18 1xxe n VAL 54 Cb 0.37 -0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 31.79 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 -2.11 -0.86 -0.12 6.34 5.65 -1.20 -5.05 115.29 117.94 1xxe s HIS 55 Ca -0.03 1.64 0.00 0.00 0.25 0.00 0.00 55.06 56.92 1xxe s HIS 55 Cb 0.01 0.39 -0.02 0.00 -1.18 0.00 0.00 32.58 31.79 1xxe s HIS 55 CO 0.19 -0.49 -0.12 0.95 -0.65 0.00 0.00 174.74 174.62 1xxe s THR 56 N 2.39 3.12 0.00 0.89 -4.23 -1.26 -1.83 115.64 114.73 1xxe s THR 56 Ca -0.04 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1xxe s THR 56 Cb -0.11 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1xxe s THR 56 CO -0.14 0.53 0.00 -3.20 -0.54 0.00 0.00 174.62 171.27 1xxe n ASN 57 N 3.31 0.00 0.19 3.99 5.15 -1.26 -4.87 115.26 121.76 1xxe n ASN 57 Ca -0.18 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.84 1xxe n ASN 57 Cb 0.53 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 39.97 1xxe n ASN 57 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1xxe h HIS 58 N 0.00 0.00 -3.68 1.20 3.86 -2.03 -3.39 115.15 111.11 1xxe h HIS 58 Ca 0.00 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.90 1xxe h HIS 58 Cb 0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 1xxe h HIS 58 CO 0.00 0.00 -0.66 0.45 0.86 0.00 0.00 177.93 178.58 1xxe s SER 59 N -3.02 1.33 -0.25 2.45 0.15 -1.26 -5.06 113.70 108.04 1xxe s SER 59 Ca -0.01 -1.21 -0.09 0.00 0.70 0.00 0.00 55.95 55.35 1xxe s SER 59 Cb 0.02 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1xxe s SER 59 CO 0.06 -0.58 0.12 -0.89 1.20 0.00 0.00 173.24 173.15 1xxe s THR 60 N -3.62 4.80 -0.03 6.45 2.01 -1.26 -4.60 115.64 119.39 1xxe s THR 60 Ca 0.27 -0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.33 1xxe s THR 60 Cb 0.06 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1xxe s THR 60 CO 0.06 0.33 -0.25 -1.81 -0.69 0.00 0.00 174.62 172.26 1xxe s ASP 61 N 1.41 3.01 0.33 3.53 1.11 -0.76 -0.98 116.67 124.31 1xxe s ASP 61 Ca 0.06 -0.48 0.10 0.00 0.18 0.00 0.00 52.55 52.41 1xxe s ASP 61 Cb -0.15 -0.50 -0.06 0.00 1.07 0.00 0.00 42.92 43.28 1xxe s ASP 61 CO 0.06 0.29 -0.12 -0.76 1.18 0.00 0.00 175.17 175.82 1xxe s LEU 62 N -0.45 2.69 0.00 1.23 1.43 -0.56 -2.43 118.68 120.59 1xxe s LEU 62 Ca 0.05 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1xxe s LEU 62 Cb -0.11 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1xxe s LEU 62 CO 0.01 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1xxe n GLY 63 N -0.75 1.21 3.11 -3.19 0.00 -0.93 0.26 105.19 104.90 1xxe n GLY 63 Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1xxe n GLY 63 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xxe s PHE 64 N -1.27 0.04 -1.44 1.61 5.36 0.57 -4.73 117.98 118.11 1xxe s PHE 64 Ca 0.00 -0.15 -0.07 0.00 -0.96 0.00 0.00 56.93 55.75 1xxe s PHE 64 Cb 0.00 -0.05 0.04 0.00 -0.34 0.00 0.00 43.02 42.67 1xxe s PHE 64 CO 0.00 -0.30 0.62 1.63 -1.46 0.00 0.00 175.22 175.71 1xxe n LYS 65 N 1.38 -4.56 -0.99 10.12 4.76 -1.26 -0.32 118.16 127.29 1xxe n LYS 65 Ca -0.23 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 1xxe n LYS 65 Cb 0.56 -5.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.21 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 -1.43 0.89 3.89 0.72 0.00 -1.26 -5.01 105.19 102.98 1xxe n GLY 66 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.01 3.53 0.00 1.61 -1.52 0.56 -5.10 119.66 118.74 1xxe s GLN 67 Ca 0.00 -0.14 -0.03 0.00 -1.95 0.00 0.00 55.36 53.24 1xxe s GLN 67 Cb 0.00 -3.10 -0.01 0.00 -0.22 0.00 0.00 33.01 29.68 1xxe s GLN 67 CO 0.00 0.68 0.05 -0.98 -0.25 0.00 0.00 175.29 174.79 1xxe s ARG 68 N -1.69 0.31 0.02 2.91 1.70 -1.26 -0.31 118.95 120.63 1xxe s ARG 68 Ca 0.26 -0.36 0.04 0.00 -0.47 0.00 0.00 55.73 55.20 1xxe s ARG 68 Cb -0.13 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1xxe s ARG 68 CO 0.15 -0.06 -0.13 0.42 -1.08 0.00 0.00 175.30 174.59 1xxe s ILE 69 N -1.05 1.06 0.15 4.99 1.01 0.14 -4.87 121.20 122.63 1xxe s ILE 69 Ca -0.11 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.83 1xxe s ILE 69 Cb -0.07 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1xxe s ILE 69 CO 0.00 0.13 -0.10 -0.54 0.00 0.00 0.00 174.94 174.43 1xxe s LYS 70 N -0.75 2.05 -0.90 2.79 1.02 -0.70 -1.50 119.74 121.75 1xxe s LYS 70 Ca 0.03 -1.18 -0.06 0.00 0.02 0.00 0.00 55.97 54.78 1xxe s LYS 70 Cb -0.07 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1xxe s LYS 70 CO 0.00 0.46 0.73 2.41 -0.92 0.00 0.00 175.35 178.04 1xxe n THR 71 N 0.34 -7.50 0.33 2.17 -1.04 -0.16 -2.28 114.28 106.13 1xxe n THR 71 Ca -0.12 -0.52 0.04 0.00 -2.04 0.00 0.00 64.05 61.41 1xxe n THR 71 Cb 0.54 -5.37 0.01 0.00 -1.82 0.00 0.00 70.33 63.68 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 -2.75 0.00 0.18 12.58 0.24 -1.17 -4.17 118.33 123.24 1xxe n VAL 72 Ca -0.10 -0.44 0.03 0.00 -2.04 0.00 0.00 64.34 61.79 1xxe n VAL 72 Cb 0.58 1.10 0.32 0.00 -1.47 0.00 0.00 33.84 34.38 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 0.98 0.00 0.66 7.34 4.11 -1.88 -2.19 114.58 123.61 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 0.43 -0.32 0.45 0.07 0.00 0.00 179.01 179.64 1xxe h HIS 74 N 0.00 -0.83 -0.56 2.06 3.86 -1.93 0.12 115.15 117.87 1xxe h HIS 74 Ca -0.00 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1xxe h HIS 74 Cb 0.85 0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.55 1xxe h HIS 74 CO 0.00 -0.51 0.31 0.97 0.86 0.00 0.00 177.93 179.56 1xxe h ILE 75 N -1.23 1.00 -0.92 2.45 6.09 -1.85 -1.37 117.51 121.67 1xxe h ILE 75 Ca -0.09 -0.21 0.07 0.00 -1.37 0.00 0.00 64.86 63.26 1xxe h ILE 75 Cb 0.69 0.34 -0.07 0.00 0.47 0.00 0.00 36.82 38.26 1xxe h ILE 75 CO 0.15 0.11 0.58 -0.07 -3.07 0.00 0.00 178.15 175.85 1xxe h LEU 76 N 0.60 0.92 -0.28 2.19 3.38 -1.38 -1.48 115.31 119.26 1xxe h LEU 76 Ca 0.24 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1xxe h LEU 76 Cb 0.10 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1xxe h LEU 76 CO -0.14 0.58 0.12 -1.28 0.09 0.00 0.00 178.44 177.82 1xxe h SER 77 N 1.05 0.17 0.30 -0.43 0.87 0.35 0.26 113.55 116.12 1xxe h SER 77 Ca 0.41 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1xxe h SER 77 Cb 0.19 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1xxe h SER 77 CO -0.18 0.14 -0.23 0.58 -0.53 0.00 0.00 176.83 176.61 1xxe h VAL 78 N 0.27 0.51 -0.69 2.23 2.07 -0.89 -0.52 116.25 119.23 1xxe h VAL 78 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 1xxe h VAL 78 Cb 0.06 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 1xxe h VAL 78 CO -0.10 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.67 1xxe h LEU 79 N -0.54 0.21 0.50 2.57 3.38 -0.94 0.15 115.31 120.64 1xxe h LEU 79 Ca -0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xxe h LEU 79 Cb 0.47 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1xxe h LEU 79 CO -0.01 0.10 -0.44 -0.74 0.09 0.00 0.00 178.44 177.44 1xxe h HIS 80 N 0.40 -1.21 -0.76 1.13 2.76 0.25 0.16 115.15 117.88 1xxe h HIS 80 Ca 0.37 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.59 1xxe h HIS 80 Cb 0.53 0.46 -0.05 0.00 1.55 0.00 0.00 27.41 29.91 1xxe h HIS 80 CO -0.18 -0.62 0.50 -0.07 -1.30 0.00 0.00 177.93 176.26 1xxe h LEU 81 N -0.94 0.76 0.00 0.26 3.38 -0.51 0.10 115.31 118.37 1xxe h LEU 81 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xxe h LEU 81 Cb 0.81 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xxe h LEU 81 CO -0.03 0.51 0.00 0.18 0.09 0.00 0.00 178.44 179.19 1xxe n LEU 82 N -4.47 0.00 -2.56 1.67 4.77 0.48 -4.88 117.00 112.01 1xxe n LEU 82 Ca 0.10 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 1xxe n LEU 82 Cb 0.16 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1xxe n LEU 82 CO 0.34 -0.03 -0.03 -0.62 -1.33 0.00 0.00 177.39 175.73 1xxe n GLU 83 N -1.24 -3.90 -2.71 3.23 1.02 0.41 -4.95 120.64 112.50 1xxe n GLU 83 Ca 0.14 0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 57.66 1xxe n GLU 83 Cb 0.20 -5.39 -0.03 0.00 -0.02 0.00 0.00 31.44 26.20 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 -3.07 4.82 0.00 -3.67 -1.09 -0.37 -4.35 121.20 113.47 1xxe s ILE 84 Ca 0.23 2.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.66 1xxe s ILE 84 Cb -0.10 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1xxe s ILE 84 CO 0.28 0.06 0.00 0.35 -1.23 0.00 0.00 174.94 174.41 1xxe n THR 85 N 4.32 0.00 -2.68 2.92 -2.24 -0.84 -4.76 114.28 110.99 1xxe n THR 85 Ca 0.07 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.54 1xxe n THR 85 Cb 0.50 -1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.61 6.76 -0.27 3.42 0.01 -1.18 -3.16 114.94 118.90 1xxe s ASN 86 Ca 0.00 0.72 -0.24 0.00 -0.71 0.00 0.00 52.86 52.63 1xxe s ASN 86 Cb 0.00 -2.52 0.09 0.00 0.41 0.00 0.00 41.25 39.23 1xxe s ASN 86 CO 0.00 -0.98 0.83 0.68 -1.51 0.00 0.00 177.10 176.12 1xxe s VAL 87 N 3.82 0.00 -0.40 1.60 -7.23 -0.99 -3.90 120.40 113.30 1xxe s VAL 87 Ca 0.44 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.54 1xxe s VAL 87 Cb -0.11 -1.00 0.08 0.00 0.56 0.00 0.00 36.38 35.92 1xxe s VAL 87 CO 0.21 0.00 0.21 -0.89 -0.31 0.00 0.00 175.10 174.32 1xxe s THR 88 N 0.42 3.86 -0.50 5.32 2.01 -0.38 -2.50 115.64 123.87 1xxe s THR 88 Ca 0.00 -1.54 -0.19 0.00 0.31 0.00 0.00 61.69 60.27 1xxe s THR 88 Cb -0.05 -3.40 0.06 0.00 0.01 0.00 0.00 72.50 69.11 1xxe s THR 88 CO -0.03 -0.49 0.63 -0.63 -0.69 0.00 0.00 174.62 173.40 1xxe s ILE 89 N 1.34 4.87 -0.23 1.82 1.09 -0.50 -2.00 121.20 127.59 1xxe s ILE 89 Ca 0.03 -0.48 -0.25 0.00 -1.10 0.00 0.00 60.65 58.85 1xxe s ILE 89 Cb -0.23 -4.30 -0.00 0.00 -1.06 0.00 0.00 42.46 36.88 1xxe s ILE 89 CO 0.00 -0.80 0.87 -1.61 -0.10 0.00 0.00 174.94 173.30 1xxe s GLU 90 N 2.63 4.21 -0.39 2.79 2.02 0.10 -1.92 118.70 128.15 1xxe s GLU 90 Ca 0.15 1.03 -0.13 0.00 0.02 0.00 0.00 54.97 56.05 1xxe s GLU 90 Cb -0.19 -3.64 0.02 0.00 0.10 0.00 0.00 34.13 30.42 1xxe s GLU 90 CO 0.12 -0.52 0.25 0.08 0.02 0.00 0.00 175.26 175.20 1xxe s VAL 91 N 2.85 4.89 -0.48 2.63 1.01 -0.19 -1.59 120.40 129.52 1xxe s VAL 91 Ca 0.37 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1xxe s VAL 91 Cb -0.15 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1xxe s VAL 91 CO 0.07 -0.26 0.66 -0.63 0.00 0.00 0.00 175.10 174.94 1xxe s ILE 92 N 1.61 4.81 -3.30 2.22 1.09 0.14 -4.66 121.20 123.12 1xxe s ILE 92 Ca 0.03 -0.15 0.00 0.00 -1.10 0.00 0.00 60.65 59.44 1xxe s ILE 92 Cb -0.19 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 36.94 1xxe s ILE 92 CO 0.08 -0.73 0.00 0.61 -0.10 0.00 0.00 174.94 174.80 1xxe n GLY 93 N 5.11 0.81 0.00 6.18 0.00 -1.26 -1.83 105.19 114.19 1xxe n GLY 93 Ca -0.04 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 43.99 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 0.54 2.30 -3.91 1.61 4.13 -1.26 -5.00 115.26 113.67 1xxe n ASN 94 Ca 0.00 -0.25 -0.11 0.00 1.68 0.00 0.00 54.58 55.91 1xxe n ASN 94 Cb 0.00 1.18 -0.11 0.00 -1.54 0.00 0.00 39.78 39.31 1xxe n ASN 94 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1xxe s GLU 95 N -2.13 0.31 0.09 3.52 2.12 -1.26 -1.72 118.70 119.63 1xxe s GLU 95 Ca -0.01 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 54.65 1xxe s GLU 95 Cb 0.04 0.12 -0.07 0.00 0.26 0.00 0.00 34.13 34.48 1xxe s GLU 95 CO 0.27 -0.06 1.40 0.42 -0.54 0.00 0.00 175.26 176.75 1xxe s ILE 96 N -1.06 3.39 0.09 -3.70 -1.09 -0.97 -4.72 121.20 113.14 1xxe s ILE 96 Ca -0.12 0.95 -0.36 0.00 -2.23 0.00 0.00 60.65 58.90 1xxe s ILE 96 Cb -0.07 -3.61 -0.17 0.00 -1.58 0.00 0.00 42.46 37.03 1xxe s ILE 96 CO 0.00 0.05 1.20 -2.65 -1.23 0.00 0.00 174.94 172.31 1xxe n PRO 97 N 4.33 0.80 0.16 2.79 -0.02 -1.26 -4.55 135.00 137.26 1xxe n PRO 97 Ca 0.12 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1xxe n PRO 97 Cb 0.43 -1.84 0.13 0.00 -0.02 0.00 0.00 33.50 32.20 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 3.00 0.80 0.00 4.25 6.09 -1.52 -3.48 117.51 126.64 1xxe h ILE 98 Ca -0.47 -1.95 0.00 0.00 -1.37 0.00 0.00 64.86 61.08 1xxe h ILE 98 Cb 1.37 2.26 0.00 0.00 0.47 0.00 0.00 36.82 40.92 1xxe h ILE 98 CO 0.72 0.42 0.00 0.18 -3.07 0.00 0.00 178.15 176.40 1xxe n LEU 99 N -3.28 0.00 -0.04 2.19 4.77 -1.26 -0.57 117.00 118.81 1xxe n LEU 99 Ca 0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.11 1xxe n LEU 99 Cb 0.66 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.85 1xxe n LEU 99 CO 0.39 0.00 0.26 -0.67 -1.33 0.00 0.00 177.39 176.03 1xxe n ASP 100 N 7.63 0.80 0.00 -1.43 2.03 -1.26 -4.70 116.55 119.62 1xxe n ASP 100 Ca 0.00 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.66 1xxe n ASP 100 Cb 0.00 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1xxe n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xxe n GLY 101 N 1.49 0.69 1.35 0.27 0.00 0.26 -4.40 105.19 104.84 1xxe n GLY 101 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 2.39 -0.14 1.61 3.41 -1.26 -1.53 113.62 118.09 1xxe n SER 102 Ca 0.00 -1.80 0.03 0.00 -0.26 0.00 0.00 58.87 56.84 1xxe n SER 102 Cb 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 2.74 -0.34 0.42 5.00 0.00 -0.91 -4.67 105.19 107.42 1xxe n GLY 103 Ca -0.07 -0.15 0.27 0.00 0.00 0.00 0.00 46.02 46.07 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 0.67 0.64 0.17 1.61 2.91 -1.80 -0.63 115.95 119.53 1xxe h TRP 104 Ca 0.00 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1xxe h TRP 104 Cb 0.19 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1xxe h TRP 104 CO 0.00 -0.04 -0.08 0.93 -1.03 0.00 0.00 178.44 178.22 1xxe h GLU 105 N 0.30 -0.22 -0.43 2.65 3.07 -1.89 0.32 114.58 118.37 1xxe h GLU 105 Ca 0.67 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.53 1xxe h GLU 105 Cb 1.82 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.77 1xxe h GLU 105 CO -0.36 -0.03 0.21 0.74 -1.40 0.00 0.00 179.01 178.18 1xxe h PHE 106 N -0.38 0.62 -0.96 4.33 0.04 -1.51 0.19 116.94 119.26 1xxe h PHE 106 Ca -0.02 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.74 1xxe h PHE 106 Cb 0.30 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1xxe h PHE 106 CO -0.02 0.50 0.63 -0.92 -0.60 0.00 0.00 178.31 177.90 1xxe h TYR 107 N 0.56 1.20 -0.12 -0.55 5.03 -1.09 0.96 116.97 122.96 1xxe h TYR 107 Ca 0.15 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.35 1xxe h TYR 107 Cb 0.11 -0.40 0.00 0.00 1.55 0.00 0.00 36.73 37.99 1xxe h TYR 107 CO -0.01 0.73 -0.45 0.93 -1.32 0.00 0.00 178.16 178.04 1xxe h GLU 108 N 1.27 0.52 0.00 1.82 4.39 0.14 -2.26 114.58 120.47 1xxe h GLU 108 Ca 0.37 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1xxe h GLU 108 Cb -0.09 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1xxe h GLU 108 CO -0.10 1.02 -0.04 0.00 -1.16 0.00 0.00 179.01 178.74 1xxe h ALA 109 N 0.50 0.00 -0.53 3.43 0.00 -0.79 -3.22 119.26 118.66 1xxe h ALA 109 Ca -0.02 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1xxe h ALA 109 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1xxe h ALA 109 CO 0.09 -0.06 -0.01 0.82 0.00 0.00 0.00 179.25 180.09 1xxe h ILE 110 N -0.78 1.26 -0.08 0.00 2.04 -0.95 -2.71 117.51 116.29 1xxe h ILE 110 Ca -0.01 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1xxe h ILE 110 Cb 0.86 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1xxe h ILE 110 CO 0.01 0.40 0.07 -0.09 0.00 0.00 0.00 178.15 178.53 1xxe h ARG 111 N 0.81 0.00 0.00 2.37 2.43 -1.53 0.53 114.38 118.99 1xxe h ARG 111 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1xxe h ARG 111 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1xxe h ARG 111 CO 0.03 0.00 0.00 -0.22 -1.51 0.00 0.00 179.97 178.27 1xxe h LYS 112 N 0.00 0.00 -0.38 0.20 3.64 -1.49 -3.27 116.57 115.27 1xxe h LYS 112 Ca 0.04 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.15 1xxe h LYS 112 Cb 0.17 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 31.79 1xxe h LYS 112 CO -0.00 0.00 -0.55 0.09 -2.27 0.00 0.00 179.45 176.72 1xxe n ASN 113 N -2.77 3.32 -4.82 4.20 3.02 0.14 -5.05 115.26 113.30 1xxe n ASN 113 Ca 0.04 -3.83 -0.34 0.00 -0.03 0.00 0.00 54.58 50.42 1xxe n ASN 113 Cb 0.45 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xxe s ILE 114 N -3.86 4.49 0.09 2.41 1.01 -0.99 0.31 121.20 124.66 1xxe s ILE 114 Ca 0.45 1.33 0.05 0.00 0.00 0.00 0.00 60.65 62.48 1xxe s ILE 114 Cb 0.39 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1xxe s ILE 114 CO -0.02 -0.10 -0.14 -0.22 0.00 0.00 0.00 174.94 174.46 1xxe s LEU 115 N -2.71 2.33 -0.15 2.97 2.96 0.20 -4.50 118.68 119.77 1xxe s LEU 115 Ca 0.54 -0.70 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1xxe s LEU 115 Cb -0.12 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 1xxe s LEU 115 CO 0.18 -0.12 0.13 0.20 -1.32 0.00 0.00 176.35 175.41 1xxe s ASN 116 N -2.03 6.26 0.00 3.68 0.02 -1.26 -1.41 114.94 120.20 1xxe s ASN 116 Ca 0.02 0.37 0.00 0.00 -1.02 0.00 0.00 52.86 52.23 1xxe s ASN 116 Cb -0.08 -2.05 0.00 0.00 0.02 0.00 0.00 41.25 39.14 1xxe s ASN 116 CO 0.02 0.33 0.00 0.00 0.02 0.00 0.00 177.10 177.47 1xxe n GLN 117 N 2.54 1.84 -3.52 -0.60 6.02 0.44 -4.90 117.38 119.20 1xxe n GLN 117 Ca -0.19 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.53 1xxe n GLN 117 Cb 0.54 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.71 1xxe n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1xxe n ASN 118 N -1.76 3.46 -3.60 1.08 5.15 -1.26 -4.57 115.26 113.75 1xxe n ASN 118 Ca 0.00 -3.36 -0.12 0.00 -0.60 0.00 0.00 54.58 50.50 1xxe n ASN 118 Cb 0.00 -0.69 -0.06 0.00 -0.53 0.00 0.00 39.78 38.50 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1xxe s ARG 119 N -2.20 0.66 -0.05 1.20 3.52 -1.26 -4.94 118.95 115.87 1xxe s ARG 119 Ca 0.37 0.43 -0.27 0.00 -0.13 0.00 0.00 55.73 56.12 1xxe s ARG 119 Cb 0.11 0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 33.79 1xxe s ARG 119 CO -0.05 -0.15 0.87 -2.00 -0.81 0.00 0.00 175.30 173.16 1xxe s GLU 120 N -0.45 4.48 0.30 5.12 2.12 -1.26 0.21 118.70 129.22 1xxe s GLU 120 Ca -0.01 1.20 -0.29 0.00 0.36 0.00 0.00 54.97 56.22 1xxe s GLU 120 Cb -0.03 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 1xxe s GLU 120 CO -0.00 -0.07 1.20 0.42 -0.54 0.00 0.00 175.26 176.27 1xxe s ILE 121 N 1.16 3.14 -1.32 -3.70 1.01 -1.26 -4.77 121.20 115.45 1xxe s ILE 121 Ca 0.45 1.13 -0.16 0.00 0.00 0.00 0.00 60.65 62.07 1xxe s ILE 121 Cb -0.19 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1xxe s ILE 121 CO 0.22 0.26 2.06 -0.67 0.00 0.00 0.00 174.94 176.81 1xxe n ASP 122 N 1.12 3.91 -4.60 3.58 -0.08 -1.26 -4.91 116.55 114.31 1xxe n ASP 122 Ca -0.00 -2.83 -0.42 0.00 -1.51 0.00 0.00 54.79 50.02 1xxe n ASP 122 Cb 0.43 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 42.28 1xxe n ASP 122 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xxe n TYR 123 N 7.21 1.12 -3.82 -0.67 4.01 -1.26 -4.77 117.16 118.98 1xxe n TYR 123 Ca 0.51 0.61 -0.36 0.00 -0.16 0.00 0.00 57.90 58.49 1xxe n TYR 123 Cb 0.41 -2.23 -0.11 0.00 -0.31 0.00 0.00 39.34 37.11 1xxe n TYR 123 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1xxe s PHE 124 N -1.21 3.18 0.02 -0.72 2.19 -0.27 -5.00 117.98 116.16 1xxe s PHE 124 Ca 0.61 -0.10 0.05 0.00 0.33 0.00 0.00 56.93 57.83 1xxe s PHE 124 Cb -0.61 -2.20 -0.02 0.00 -1.31 0.00 0.00 43.02 38.88 1xxe s PHE 124 CO 0.58 -0.10 -0.16 0.08 1.83 0.00 0.00 175.22 177.44 1xxe s VAL 125 N 1.13 1.29 0.09 3.12 1.01 -1.26 0.24 120.40 126.02 1xxe s VAL 125 Ca 0.05 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1xxe s VAL 125 Cb -0.14 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 1xxe s VAL 125 CO 0.04 0.21 0.91 -0.69 0.00 0.00 0.00 175.10 175.57 1xxe s VAL 126 N -0.60 4.56 -0.11 2.92 1.01 -0.36 -4.92 120.40 122.89 1xxe s VAL 126 Ca 0.05 1.95 0.03 0.00 0.00 0.00 0.00 61.98 64.01 1xxe s VAL 126 Cb -0.07 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1xxe s VAL 126 CO 0.00 0.33 0.11 -0.62 0.00 0.00 0.00 175.10 174.93 1xxe n GLU 127 N 2.77 4.99 -3.90 2.72 1.02 -1.26 -4.23 120.64 122.74 1xxe n GLU 127 Ca 0.01 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1xxe n GLU 127 Cb 0.49 -0.71 -0.14 0.00 -0.02 0.00 0.00 31.44 31.06 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 -1.44 0.08 0.98 3.49 -1.05 -1.26 -4.81 118.70 114.69 1xxe s GLU 128 Ca 0.01 -0.11 -0.12 0.00 -0.15 0.00 0.00 54.97 54.59 1xxe s GLU 128 Cb 0.02 -0.01 0.18 0.00 -0.44 0.00 0.00 34.13 33.88 1xxe s GLU 128 CO 0.12 -0.00 1.11 -1.25 0.95 0.00 0.00 175.26 176.18 1xxe s PRO 129 N -0.25 0.59 -0.21 -4.83 0.04 -1.26 -4.63 135.00 124.45 1xxe s PRO 129 Ca -0.02 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 61.19 1xxe s PRO 129 Cb -0.02 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.85 1xxe s PRO 129 CO -0.00 -2.60 0.85 -1.50 0.04 0.00 0.00 177.00 173.78 1xxe s ILE 130 N -3.05 0.00 -0.10 0.56 2.07 -0.83 -4.94 121.20 114.91 1xxe s ILE 130 Ca 0.65 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.89 1xxe s ILE 130 Cb -0.18 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.44 1xxe s ILE 130 CO 0.56 0.00 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.89 1xxe s ILE 131 N -0.20 0.95 -0.26 2.00 1.09 -1.26 -0.72 121.20 122.81 1xxe s ILE 131 Ca -0.02 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.28 1xxe s ILE 131 Cb -0.03 -0.98 0.04 0.00 -1.06 0.00 0.00 42.46 40.43 1xxe s ILE 131 CO 0.01 0.35 -0.08 0.68 -0.10 0.00 0.00 174.94 175.80 1xxe s VAL 132 N 1.63 2.57 -0.15 2.92 -7.23 -0.45 -4.99 120.40 114.70 1xxe s VAL 132 Ca 0.03 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1xxe s VAL 132 Cb -0.13 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 1xxe s VAL 132 CO -0.07 0.07 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.95 1xxe s GLU 133 N 1.22 3.25 -0.16 4.82 2.12 -1.26 -1.71 118.70 126.97 1xxe s GLU 133 Ca -0.04 -0.73 -0.33 0.00 0.36 0.00 0.00 54.97 54.23 1xxe s GLU 133 Cb -0.18 -2.65 0.14 0.00 0.26 0.00 0.00 34.13 31.69 1xxe s GLU 133 CO -0.05 0.04 1.14 0.34 -0.54 0.00 0.00 175.26 176.19 1xxe s ASP 134 N 0.78 -0.20 -1.62 -1.70 -1.08 -0.77 -4.95 116.67 107.14 1xxe s ASP 134 Ca -0.05 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 1xxe s ASP 134 Cb -0.15 0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 1xxe s ASP 134 CO 0.01 -0.30 0.00 -0.62 0.52 0.00 0.00 175.17 174.78 1xxe n GLU 135 N 0.04 -1.46 -0.85 4.34 1.02 -1.26 0.16 120.64 122.63 1xxe n GLU 135 Ca -0.03 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 1xxe n GLU 135 Cb 0.59 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 26.75 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 136 N -0.18 0.97 3.97 0.62 0.00 -1.26 -5.02 105.19 104.29 1xxe n GLY 136 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.13 2.59 -0.14 1.61 3.00 0.12 -4.93 118.95 121.08 1xxe s ARG 137 Ca 0.00 -1.47 -0.28 0.00 0.00 0.00 0.00 55.73 53.98 1xxe s ARG 137 Cb 0.00 -2.57 0.07 0.00 0.00 0.00 0.00 34.95 32.45 1xxe s ARG 137 CO 0.00 -0.39 0.71 -1.17 0.00 0.00 0.00 175.30 174.45 1xxe s LEU 138 N -4.34 -0.69 -0.12 2.53 0.20 -0.79 -1.84 118.68 113.64 1xxe s LEU 138 Ca 0.53 1.01 -0.08 0.00 0.69 0.00 0.00 54.13 56.28 1xxe s LEU 138 Cb -0.06 2.49 0.04 0.00 -0.43 0.00 0.00 46.19 48.23 1xxe s LEU 138 CO 0.32 -0.45 0.29 -0.63 -0.29 0.00 0.00 176.35 175.58 1xxe s ILE 139 N -0.53 -0.02 0.04 6.68 1.01 -0.70 -0.73 121.20 126.95 1xxe s ILE 139 Ca -0.06 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1xxe s ILE 139 Cb -0.02 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 1xxe s ILE 139 CO 0.06 0.03 -0.21 -0.75 0.00 0.00 0.00 174.94 174.07 1xxe s LYS 140 N 0.75 1.47 0.10 2.79 2.20 -0.34 -1.33 119.74 125.38 1xxe s LYS 140 Ca -0.05 -0.93 0.09 0.00 -0.36 0.00 0.00 55.97 54.72 1xxe s LYS 140 Cb -0.06 -1.57 -0.03 0.00 -1.51 0.00 0.00 37.83 34.65 1xxe s LYS 140 CO -0.05 0.41 -0.24 0.00 -0.36 0.00 0.00 175.35 175.11 1xxe s ALA 141 N -0.76 2.05 -0.12 3.13 0.00 0.11 -0.65 121.76 125.51 1xxe s ALA 141 Ca 0.08 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 1xxe s ALA 141 Cb -0.09 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.74 1xxe s ALA 141 CO 0.01 0.45 0.32 -2.00 0.00 0.00 0.00 175.76 174.54 1xxe s GLU 142 N -1.81 0.36 0.51 0.00 2.12 0.12 -1.96 118.70 118.05 1xxe s GLU 142 Ca 0.10 0.47 -0.22 0.00 0.36 0.00 0.00 54.97 55.68 1xxe s GLU 142 Cb -0.10 0.15 -0.07 0.00 0.26 0.00 0.00 34.13 34.36 1xxe s GLU 142 CO 0.04 -0.06 1.07 -0.35 -0.54 0.00 0.00 175.26 175.43 1xxe n PRO 143 N 3.08 1.31 -3.56 4.30 -0.04 -1.26 0.19 135.00 139.02 1xxe n PRO 143 Ca -0.14 0.48 -0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1xxe n PRO 143 Cb 0.57 -2.21 -0.06 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.92 -0.57 0.00 3.54 0.15 -1.26 -4.37 113.70 110.26 1xxe s SER 144 Ca 0.69 0.73 0.31 0.00 0.70 0.00 0.00 55.95 58.38 1xxe s SER 144 Cb -0.48 0.62 1.77 0.00 -1.71 0.00 0.00 66.02 66.22 1xxe s SER 144 CO 0.52 -0.45 2.15 0.47 1.20 0.00 0.00 173.24 177.13 1xxe n ASP 145 N 1.19 0.00 -4.14 5.45 8.00 -1.26 -3.76 116.55 122.03 1xxe n ASP 145 Ca -0.15 -0.77 -0.10 0.00 0.71 0.00 0.00 54.79 54.48 1xxe n ASP 145 Cb 0.57 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 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 -2.14 0.56 -0.23 -3.53 -4.23 -1.26 -4.94 115.64 99.86 1xxe s THR 146 Ca 0.42 -1.85 -0.22 0.00 -1.18 0.00 0.00 61.69 58.87 1xxe s THR 146 Cb 0.21 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 1xxe s THR 146 CO 0.38 -0.88 0.68 -0.22 -0.54 0.00 0.00 174.62 174.05 1xxe s LEU 147 N -2.92 4.09 -0.01 4.79 2.96 -1.26 -2.47 118.68 123.86 1xxe s LEU 147 Ca 0.09 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 1xxe s LEU 147 Cb 0.05 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.80 1xxe s LEU 147 CO -0.06 -0.38 -0.00 -0.70 -1.32 0.00 0.00 176.35 173.89 1xxe s GLU 148 N 2.41 0.15 -0.08 1.98 2.12 -0.31 -2.74 118.70 122.23 1xxe s GLU 148 Ca 0.29 0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.63 1xxe s GLU 148 Cb -0.16 -0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.01 1xxe s GLU 148 CO 0.09 -0.05 0.03 0.08 -0.54 0.00 0.00 175.26 174.87 1xxe s VAL 149 N 0.48 0.20 -0.12 3.70 1.01 -0.84 -0.15 120.40 124.68 1xxe s VAL 149 Ca -0.04 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1xxe s VAL 149 Cb -0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1xxe s VAL 149 CO -0.01 0.16 0.01 -0.89 0.00 0.00 0.00 175.10 174.37 1xxe s THR 150 N 2.04 4.40 -0.10 3.92 2.01 0.37 -1.31 115.64 126.97 1xxe s THR 150 Ca 0.04 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1xxe s THR 150 Cb -0.13 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.50 1xxe s THR 150 CO -0.05 0.56 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.79 1xxe s TYR 151 N -0.46 2.13 -0.35 4.92 5.04 -0.97 0.12 117.35 127.78 1xxe s TYR 151 Ca 0.09 -0.91 -0.01 0.00 -2.44 0.00 0.00 57.07 53.79 1xxe s TYR 151 Cb -0.12 -1.48 0.08 0.00 0.35 0.00 0.00 41.96 40.79 1xxe s TYR 151 CO 0.02 -0.42 0.08 -2.00 -1.34 0.00 0.00 175.55 171.90 1xxe s GLU 152 N 0.64 2.11 -0.21 4.97 2.12 0.15 -1.67 118.70 126.81 1xxe s GLU 152 Ca -0.13 -1.57 -0.12 0.00 0.36 0.00 0.00 54.97 53.50 1xxe s GLU 152 Cb -0.16 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 1xxe s GLU 152 CO 0.04 -0.84 0.22 0.20 -0.54 0.00 0.00 175.26 174.34 1xxe s GLY 153 N 1.41 2.04 -0.78 -1.50 0.00 -0.61 -1.08 107.32 106.80 1xxe s GLY 153 Ca 0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.99 1xxe s GLY 153 CO -0.03 0.43 0.64 1.85 0.00 0.00 0.00 173.10 175.98 1xxe s GLU 154 N 0.90 3.00 0.22 2.90 2.12 -1.26 -1.65 118.70 124.92 1xxe s GLU 154 Ca 0.11 -2.94 -0.11 0.00 0.36 0.00 0.00 54.97 52.40 1xxe s GLU 154 Cb -0.13 -3.88 -0.07 0.00 0.26 0.00 0.00 34.13 30.30 1xxe s GLU 154 CO 0.04 -1.23 0.56 -0.06 -0.54 0.00 0.00 175.26 174.03 1xxe s PHE 155 N -0.75 3.46 -1.67 5.30 0.08 0.20 -4.93 117.98 119.67 1xxe s PHE 155 Ca 0.23 0.93 0.26 0.00 0.12 0.00 0.00 56.93 58.47 1xxe s PHE 155 Cb -0.13 -2.30 0.59 0.00 -0.57 0.00 0.00 43.02 40.61 1xxe s PHE 155 CO -0.09 0.29 1.46 1.63 -0.10 0.00 0.00 175.22 178.42 1xxe n LYS 156 N 0.04 0.75 0.00 0.44 5.02 -1.26 -3.13 118.16 120.01 1xxe n LYS 156 Ca -0.00 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 1xxe n LYS 156 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.71 -0.91 0.28 4.39 6.94 -1.26 -4.71 115.26 119.29 1xxe n ASN 157 Ca 0.11 -0.33 0.13 0.00 -0.02 0.00 0.00 54.58 54.46 1xxe n ASN 157 Cb 0.36 0.00 0.84 0.00 -2.36 0.00 0.00 39.78 38.62 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 -1.36 0.00 0.10 -2.53 -5.15 -1.54 -2.26 116.94 104.20 1xxe h PHE 158 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1xxe h PHE 158 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 1xxe h PHE 158 CO 0.00 0.00 -0.09 -0.07 -2.00 0.00 0.00 178.31 176.15 1xxe h LEU 159 N 0.00 -0.23 0.00 2.10 3.38 -1.88 -3.47 115.31 115.21 1xxe h LEU 159 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xxe h LEU 159 Cb 0.01 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1xxe h LEU 159 CO -0.00 -0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.00 1xxe n GLY 160 N -1.20 1.57 3.23 0.83 0.00 -0.85 -4.85 105.19 103.91 1xxe n GLY 160 Ca -0.07 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 1.45 -0.10 1.61 3.00 -1.26 0.60 118.95 124.25 1xxe s ARG 161 Ca 0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 55.73 54.65 1xxe s ARG 161 Cb 0.00 -1.49 0.05 0.00 0.00 0.00 0.00 34.95 33.51 1xxe s ARG 161 CO 0.00 0.39 0.55 -0.65 0.00 0.00 0.00 175.30 175.60 1xxe s GLN 162 N -0.91 0.83 0.10 3.54 -0.21 -0.66 -4.99 119.66 117.36 1xxe s GLN 162 Ca 0.07 0.33 0.08 0.00 0.02 0.00 0.00 55.36 55.86 1xxe s GLN 162 Cb -0.08 0.39 -0.03 0.00 1.00 0.00 0.00 33.01 34.28 1xxe s GLN 162 CO 0.01 -0.21 -0.19 -1.59 -2.12 0.00 0.00 175.29 171.19 1xxe s LYS 163 N -0.72 1.08 -0.09 2.91 -2.85 -1.26 -1.58 119.74 117.23 1xxe s LYS 163 Ca -0.08 -1.16 -0.01 0.00 -1.00 0.00 0.00 55.97 53.72 1xxe s LYS 163 Cb -0.03 -1.26 0.03 0.00 -2.06 0.00 0.00 37.83 34.52 1xxe s LYS 163 CO 0.05 0.28 0.00 0.12 0.10 0.00 0.00 175.35 175.91 1xxe s PHE 164 N -1.33 0.75 -0.25 1.78 5.36 -0.67 -4.98 117.98 118.64 1xxe s PHE 164 Ca 0.06 -0.28 -0.15 0.00 -0.96 0.00 0.00 56.93 55.59 1xxe s PHE 164 Cb -0.09 -0.85 -0.04 0.00 -0.34 0.00 0.00 43.02 41.70 1xxe s PHE 164 CO 0.04 -0.37 0.40 0.99 -1.46 0.00 0.00 175.22 174.81 1xxe s THR 165 N 1.95 5.17 -0.12 0.12 2.01 -1.26 -2.28 115.64 121.22 1xxe s THR 165 Ca 0.04 0.65 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 1xxe s THR 165 Cb -0.13 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1xxe s THR 165 CO -0.06 0.18 0.15 0.12 -0.69 0.00 0.00 174.62 174.32 1xxe s PHE 166 N 1.84 3.59 0.04 4.92 5.36 -0.43 -4.97 117.98 128.32 1xxe s PHE 166 Ca 0.17 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 1xxe s PHE 166 Cb -0.15 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 1xxe s PHE 166 CO 0.09 0.70 -0.04 0.08 -1.46 0.00 0.00 175.22 174.59 1xxe s VAL 167 N -0.92 0.26 -0.12 3.12 1.01 -1.26 -1.99 120.40 120.50 1xxe s VAL 167 Ca 0.15 -1.23 -0.35 0.00 0.00 0.00 0.00 61.98 60.55 1xxe s VAL 167 Cb -0.12 -0.72 -0.13 0.00 0.00 0.00 0.00 36.38 35.41 1xxe s VAL 167 CO 0.04 -0.62 1.84 -0.62 0.00 0.00 0.00 175.10 175.74 1xxe n GLU 168 N 1.11 1.96 0.00 2.72 1.02 -1.11 -2.03 120.64 124.31 1xxe n GLU 168 Ca -0.21 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1xxe n GLU 168 Cb 0.57 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1xxe n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 169 N 4.33 1.22 1.34 0.62 0.00 -1.26 -4.96 105.19 106.47 1xxe n GLY 169 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 0.74 -0.08 1.61 3.02 -0.86 -4.88 115.26 114.81 1xxe n ASN 170 Ca 0.00 -1.99 -0.02 0.00 -0.03 0.00 0.00 54.58 52.54 1xxe n ASN 170 Cb 0.00 -0.25 0.23 0.00 -0.61 0.00 0.00 39.78 39.15 1xxe n ASN 170 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1xxe h GLU 171 N 0.80 0.70 0.00 3.52 5.08 -1.93 -2.28 114.58 120.47 1xxe h GLU 171 Ca -0.22 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1xxe h GLU 171 Cb 1.80 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1xxe h GLU 171 CO 0.06 0.67 0.23 0.39 -1.00 0.00 0.00 179.01 179.36 1xxe n GLU 172 N -4.27 0.06 0.00 2.33 1.02 -1.26 0.45 120.64 118.96 1xxe n GLU 172 Ca 0.03 0.47 0.13 0.00 -0.02 0.00 0.00 57.16 57.77 1xxe n GLU 172 Cb 0.24 -1.91 0.36 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.76 0.95 0.00 3.49 -0.58 -0.86 -4.06 120.64 117.82 1xxe n GLU 173 Ca -0.01 -0.58 0.00 0.00 -0.42 0.00 0.00 57.16 56.16 1xxe n GLU 173 Cb 0.24 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 -0.52 0.00 -0.02 -3.67 -5.35 0.17 -4.57 119.36 105.40 1xxe n ILE 174 Ca 0.13 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 62.05 1xxe n ILE 174 Cb 0.36 1.01 -0.13 0.00 -1.74 0.00 0.00 39.64 39.13 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 -0.69 1.51 1.43 7.28 0.24 -1.10 -4.00 118.33 123.00 1xxe n VAL 175 Ca 0.00 -0.78 0.14 0.00 -2.04 0.00 0.00 64.34 61.65 1xxe n VAL 175 Cb 0.00 -0.93 0.49 0.00 -1.47 0.00 0.00 33.84 31.93 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 -2.99 1.37 -4.65 1.34 4.77 -1.26 -2.10 117.00 113.48 1xxe n LEU 176 Ca -0.17 -0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 54.95 1xxe n LEU 176 Cb 1.02 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 42.06 1xxe n LEU 176 CO 0.44 0.23 0.99 0.00 -1.33 0.00 0.00 177.39 177.73 1xxe s ALA 177 N -2.13 3.58 0.33 -1.18 0.00 -1.26 -4.89 121.76 116.21 1xxe s ALA 177 Ca 0.34 0.14 -0.10 0.00 0.00 0.00 0.00 51.96 52.35 1xxe s ALA 177 Cb 0.21 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1xxe s ALA 177 CO 0.38 -1.31 0.67 1.03 0.00 0.00 0.00 175.76 176.53 1xxe s ARG 178 N 3.53 3.78 0.90 0.00 0.52 -1.26 -4.57 118.95 121.85 1xxe s ARG 178 Ca 0.48 0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 55.91 1xxe s ARG 178 Cb -0.16 -2.51 0.04 0.00 0.52 0.00 0.00 34.95 32.84 1xxe s ARG 178 CO 0.13 0.13 0.55 -2.37 0.02 0.00 0.00 175.30 173.76 1xxe n THR 179 N -0.82 0.46 -4.13 0.02 5.66 -0.59 -4.80 114.28 110.08 1xxe n THR 179 Ca 0.01 -0.21 -0.11 0.00 -3.05 0.00 0.00 64.05 60.69 1xxe n THR 179 Cb 0.53 -0.72 -0.09 0.00 -1.55 0.00 0.00 70.33 68.51 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 -2.31 0.90 0.21 1.09 -0.71 -1.26 -2.22 117.98 113.68 1xxe s PHE 180 Ca 0.60 -1.18 -0.23 0.00 -1.04 0.00 0.00 56.93 55.09 1xxe s PHE 180 Cb -0.24 -0.34 0.04 0.00 -1.21 0.00 0.00 43.02 41.27 1xxe s PHE 180 CO 0.64 -0.72 0.77 0.00 -1.34 0.00 0.00 175.22 174.57 1xxe s PHE 182 N -3.69 3.30 0.47 0.00 0.40 -1.26 -0.62 117.98 116.58 1xxe s PHE 182 Ca 0.10 0.22 0.32 0.00 -0.60 0.00 0.00 56.93 56.96 1xxe s PHE 182 Cb -0.04 -1.75 1.72 0.00 0.51 0.00 0.00 43.02 43.47 1xxe s PHE 182 CO 0.02 0.56 2.17 0.38 0.70 0.00 0.00 175.22 179.04 1xxe h ASP 183 N 4.15 0.00 1.23 1.36 3.04 -1.83 -1.82 116.42 122.55 1xxe h ASP 183 Ca -0.49 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.15 1xxe h ASP 183 Cb 1.18 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.45 1xxe h ASP 183 CO 0.62 0.06 -0.71 4.11 -2.04 0.00 0.00 179.24 181.28 1xxe h TRP 184 N 0.00 0.00 0.00 4.15 0.09 -1.94 -3.27 115.95 114.98 1xxe h TRP 184 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1xxe h TRP 184 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.45 1xxe h TRP 184 CO 0.00 0.71 -1.13 -0.85 0.09 0.00 0.00 178.44 177.26 1xxe n GLU 185 N -3.31 0.24 0.01 0.12 0.28 -0.97 -4.34 120.64 112.67 1xxe n GLU 185 Ca 0.01 -0.03 -0.10 0.00 -0.16 0.00 0.00 57.16 56.88 1xxe n GLU 185 Cb 0.81 -1.55 -0.04 0.00 1.43 0.00 0.00 31.44 32.09 1xxe n GLU 185 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1xxe h ILE 186 N 0.00 0.65 -0.72 3.84 2.04 -1.39 -1.76 117.51 120.16 1xxe h ILE 186 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1xxe h ILE 186 Cb 0.69 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 1xxe h ILE 186 CO 0.00 0.00 0.30 -0.33 0.00 0.00 0.00 178.15 178.12 1xxe h GLU 187 N -0.18 0.46 0.01 2.37 5.08 -1.76 0.74 114.58 121.31 1xxe h GLU 187 Ca 0.08 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1xxe h GLU 187 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1xxe h GLU 187 CO -0.20 0.30 -0.10 0.45 -1.00 0.00 0.00 179.01 178.46 1xxe h HIS 188 N 0.47 -0.26 -0.47 4.33 3.86 -1.58 0.34 115.15 121.85 1xxe h HIS 188 Ca 0.39 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.62 1xxe h HIS 188 Cb 0.54 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 1xxe h HIS 188 CO -0.16 -0.15 0.31 0.82 0.86 0.00 0.00 177.93 179.61 1xxe h ILE 189 N -0.18 1.08 0.00 2.45 2.04 -0.48 -0.66 117.51 121.76 1xxe h ILE 189 Ca 0.03 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 1xxe h ILE 189 Cb 0.22 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1xxe h ILE 189 CO -0.09 0.10 -0.51 0.11 0.00 0.00 0.00 178.15 177.76 1xxe h LYS 190 N 0.57 0.00 -0.02 2.37 1.57 0.30 -1.93 116.57 119.43 1xxe h LYS 190 Ca 0.18 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.77 1xxe h LYS 190 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xxe h LYS 190 CO -0.04 0.51 -0.81 0.87 -0.57 0.00 0.00 179.45 179.41 1xxe h LYS 191 N 0.00 0.26 -0.20 3.15 1.57 0.12 -2.88 116.57 118.59 1xxe h LYS 191 Ca -0.01 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1xxe h LYS 191 Cb 1.12 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1xxe h LYS 191 CO 0.07 0.94 0.00 1.33 -0.57 0.00 0.00 179.45 181.21 1xxe n VAL 192 N -3.74 0.00 -1.67 0.50 0.24 -0.88 -4.78 118.33 107.99 1xxe n VAL 192 Ca -0.04 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.20 1xxe n VAL 192 Cb 0.76 -0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.26 0.45 3.49 7.63 0.00 -1.09 -5.03 105.19 110.91 1xxe n GLY 193 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.52 2.66 0.00 0.99 1.43 -0.73 -4.71 118.68 116.80 1xxe s LEU 194 Ca 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1xxe s LEU 194 Cb 0.00 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1xxe s LEU 194 CO 0.00 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1xxe n GLY 195 N 0.06 0.46 0.26 -3.19 0.00 -1.25 -3.50 105.19 98.02 1xxe n GLY 195 Ca -0.11 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.00 -0.01 1.61 1.57 -1.22 -2.11 116.57 116.40 1xxe h LYS 196 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xxe h LYS 196 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1xxe h LYS 196 CO 0.00 0.10 -0.42 0.41 -0.57 0.00 0.00 179.45 178.98 1xxe n GLY 197 N -0.21 -0.03 3.69 3.86 0.00 0.76 -4.67 105.19 108.59 1xxe n GLY 197 Ca -0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.18 1.61 0.01 -0.02 0.00 0.57 -4.67 107.32 102.65 1xxe s GLY 198 Ca 0.15 1.19 -0.06 0.00 0.00 0.00 0.00 44.72 46.00 1xxe s GLY 198 CO 0.49 2.78 0.11 -0.45 0.00 0.00 0.00 173.10 176.03 1xxe s SER 199 N 2.10 0.08 0.22 1.64 0.15 -1.26 -5.00 113.70 111.63 1xxe s SER 199 Ca 0.72 -0.31 0.12 0.00 0.70 0.00 0.00 55.95 57.17 1xxe s SER 199 Cb -0.39 0.20 0.63 0.00 -1.71 0.00 0.00 66.02 64.75 1xxe s SER 199 CO 0.31 -0.40 1.28 0.18 1.20 0.00 0.00 173.24 175.82 1xxe n LEU 200 N 1.29 0.30 -0.13 3.45 4.77 -1.26 0.57 117.00 125.99 1xxe n LEU 200 Ca -0.22 0.57 0.15 0.00 -0.03 0.00 0.00 56.01 56.48 1xxe n LEU 200 Cb 0.56 -0.57 0.73 0.00 -2.33 0.00 0.00 43.42 41.81 1xxe n LEU 200 CO 0.21 -0.67 0.97 1.17 -1.33 0.00 0.00 177.39 177.74 1xxe n LYS 201 N -1.91 0.96 -0.38 3.23 4.81 -1.26 -3.79 118.16 119.81 1xxe n LYS 201 Ca -0.01 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.17 1xxe n LYS 201 Cb 0.16 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.72 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 -0.79 0.00 -3.50 3.14 3.02 0.19 -4.77 115.26 112.55 1xxe n ASN 202 Ca 0.19 -1.34 -0.08 0.00 -0.03 0.00 0.00 54.58 53.31 1xxe n ASN 202 Cb 0.23 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.24 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xxe s THR 203 N 0.00 -0.64 -0.44 3.41 2.01 0.13 -4.19 115.64 115.92 1xxe s THR 203 Ca 0.00 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 1xxe s THR 203 Cb 0.00 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.79 1xxe s THR 203 CO 0.00 -0.02 1.33 -0.22 -0.69 0.00 0.00 174.62 175.02 1xxe s LEU 204 N 2.59 3.59 -0.17 4.42 2.96 -0.94 -4.31 118.68 126.81 1xxe s LEU 204 Ca 0.06 0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 54.58 1xxe s LEU 204 Cb -0.14 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1xxe s LEU 204 CO -0.14 -1.40 0.07 -0.69 -1.32 0.00 0.00 176.35 172.87 1xxe s VAL 205 N 5.18 4.89 0.03 1.68 1.01 -1.26 -0.48 120.40 131.46 1xxe s VAL 205 Ca 0.57 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1xxe s VAL 205 Cb -0.11 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1xxe s VAL 205 CO 0.32 0.48 -0.14 -0.76 0.00 0.00 0.00 175.10 175.00 1xxe s LEU 206 N 0.18 2.81 0.08 3.92 1.43 0.21 -2.27 118.68 125.03 1xxe s LEU 206 Ca 0.05 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1xxe s LEU 206 Cb -0.12 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1xxe s LEU 206 CO 0.00 0.26 0.23 -0.83 0.23 0.00 0.00 176.35 176.24 1xxe s GLY 207 N -1.43 2.09 0.57 -3.19 0.00 0.97 -2.35 107.32 103.97 1xxe s GLY 207 Ca 0.16 -0.88 0.44 0.00 0.00 0.00 0.00 44.72 44.44 1xxe s GLY 207 CO 0.06 -0.86 1.56 1.70 0.00 0.00 0.00 173.10 175.56 1xxe h LYS 208 N 2.87 0.00 0.00 2.90 3.64 -1.99 -2.29 116.57 121.71 1xxe h LYS 208 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1xxe h LYS 208 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xxe h LYS 208 CO 0.74 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.52 1xxe n ASP 209 N -3.82 0.00 -3.94 4.20 5.68 -1.26 -1.50 116.55 115.91 1xxe n ASP 209 Ca 0.37 -1.00 -0.10 0.00 -0.50 0.00 0.00 54.79 53.57 1xxe n ASP 209 Cb 1.80 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 41.68 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1xxe s LYS 210 N 0.00 0.40 -0.22 0.11 2.20 -0.86 -5.03 119.74 116.34 1xxe s LYS 210 Ca 0.00 -0.56 -0.10 0.00 -0.36 0.00 0.00 55.97 54.95 1xxe s LYS 210 Cb 0.00 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 1xxe s LYS 210 CO 0.00 -0.08 0.14 0.08 -0.36 0.00 0.00 175.35 175.13 1xxe s VAL 211 N -1.58 5.35 -0.03 4.02 1.01 -1.26 0.32 120.40 128.23 1xxe s VAL 211 Ca -0.14 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 1xxe s VAL 211 Cb -0.08 -3.47 -0.16 0.00 0.00 0.00 0.00 36.38 32.67 1xxe s VAL 211 CO -0.01 0.39 1.01 1.88 0.00 0.00 0.00 175.10 178.37 1xxe h TYR 212 N 7.10 -0.26 -2.72 5.22 -1.99 -1.79 -3.44 116.97 119.09 1xxe h TYR 212 Ca -0.39 -0.01 -0.56 0.00 2.00 0.00 0.00 58.73 59.77 1xxe h TYR 212 Cb 1.16 0.09 0.07 0.00 2.00 0.00 0.00 36.73 40.05 1xxe h TYR 212 CO 0.62 0.13 0.79 0.09 -0.00 0.00 0.00 178.16 179.80 1xxe n ASN 213 N -5.00 3.32 0.25 3.88 5.03 -1.25 -4.86 115.26 116.64 1xxe n ASN 213 Ca -0.08 1.12 0.16 0.00 0.87 0.00 0.00 54.58 56.64 1xxe n ASN 213 Cb 0.26 -1.49 0.59 0.00 -1.02 0.00 0.00 39.78 38.12 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 5.21 0.00 -0.00 3.52 0.13 -1.99 -2.80 132.00 136.07 1xxe h PRO 214 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xxe h PRO 214 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xxe h PRO 214 CO 0.83 0.00 -0.02 -1.91 -0.23 0.00 0.00 178.00 176.67 1xxe n GLU 215 N -3.00 0.42 0.00 0.86 2.13 -1.26 -5.02 120.64 114.77 1xxe n GLU 215 Ca 0.01 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1xxe n GLU 215 Cb 0.33 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.54 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 1.31 -1.61 3.78 8.31 0.00 -1.06 -4.79 105.19 111.13 1xxe n GLY 216 Ca 0.13 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 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 4.04 -0.04 0.99 1.43 -1.26 -4.95 118.68 118.89 1xxe s LEU 217 Ca 0.00 2.04 -0.07 0.00 -1.03 0.00 0.00 54.13 55.06 1xxe s LEU 217 Cb 0.00 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.88 1xxe s LEU 217 CO 0.00 -0.62 0.37 -0.09 0.23 0.00 0.00 176.35 176.24 1xxe h ARG 218 N 2.19 -0.25 -6.59 1.70 9.65 -1.98 -3.46 114.38 115.63 1xxe h ARG 218 Ca -0.49 0.02 -0.69 0.00 -1.10 0.00 0.00 59.98 57.72 1xxe h ARG 218 Cb 1.22 0.06 -0.26 0.00 -1.39 0.00 0.00 29.97 29.60 1xxe h ARG 218 CO 0.61 -0.17 -0.84 0.71 2.80 0.00 0.00 179.97 183.08 1xxe s TYR 219 N -2.40 2.46 0.09 2.20 2.02 -1.26 -4.95 117.35 115.51 1xxe s TYR 219 Ca -0.04 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1xxe s TYR 219 Cb 0.00 -1.48 0.26 0.00 -0.40 0.00 0.00 41.96 40.35 1xxe s TYR 219 CO 0.12 0.13 0.93 -1.91 -1.57 0.00 0.00 175.55 173.24 1xxe n GLU 220 N 1.96 0.04 -1.45 -0.62 4.07 -1.26 0.96 120.64 124.34 1xxe n GLU 220 Ca -0.16 0.44 0.04 0.00 -0.06 0.00 0.00 57.16 57.41 1xxe n GLU 220 Cb 0.52 -2.13 0.04 0.00 -0.06 0.00 0.00 31.44 29.81 1xxe n GLU 220 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1xxe n ASN 221 N -1.73 1.12 -0.37 4.31 3.02 -1.26 -4.88 115.26 115.47 1xxe n ASN 221 Ca -0.00 -2.22 -0.02 0.00 -0.03 0.00 0.00 54.58 52.30 1xxe n ASN 221 Cb 0.51 -0.33 0.11 0.00 -0.61 0.00 0.00 39.78 39.45 1xxe n ASN 221 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1xxe h GLU 222 N 1.06 1.31 -0.03 3.52 4.81 0.22 0.63 114.58 126.11 1xxe h GLU 222 Ca -0.20 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1xxe h GLU 222 Cb 1.78 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 1xxe h GLU 222 CO 0.09 0.88 0.00 -1.35 -0.73 0.00 0.00 179.01 177.91 1xxe h PRO 223 N 1.35 0.05 0.00 0.92 0.11 -1.87 -0.57 132.00 131.98 1xxe h PRO 223 Ca 0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.43 1xxe h PRO 223 Cb -0.13 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 1xxe h PRO 223 CO -0.08 0.29 -0.14 -0.39 -0.21 0.00 0.00 178.00 177.48 1xxe h VAL 224 N -0.21 0.31 -0.12 3.15 -1.51 -1.92 -2.51 116.25 113.44 1xxe h VAL 224 Ca 0.01 -1.00 -0.07 0.00 -1.23 0.00 0.00 66.70 64.41 1xxe h VAL 224 Cb 0.27 1.78 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1xxe h VAL 224 CO 0.00 0.14 -0.20 0.03 -1.23 0.00 0.00 177.57 176.31 1xxe h ARG 225 N 0.00 0.35 -0.87 5.19 3.08 -0.63 -1.63 114.38 119.87 1xxe h ARG 225 Ca -0.00 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.87 1xxe h ARG 225 Cb 0.77 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 1xxe h ARG 225 CO 0.02 0.80 0.57 1.25 -1.07 0.00 0.00 179.97 181.54 1xxe h HIS 226 N -0.06 1.05 -0.65 3.04 2.76 -0.90 0.31 115.15 120.69 1xxe h HIS 226 Ca 0.01 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1xxe h HIS 226 Cb 0.77 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 1xxe h HIS 226 CO 0.10 0.61 0.29 0.87 -1.30 0.00 0.00 177.93 178.49 1xxe h LYS 227 N 1.08 0.96 -0.54 5.26 1.79 -1.25 -1.52 116.57 122.35 1xxe h LYS 227 Ca 0.35 -0.16 -0.10 0.00 -2.18 0.00 0.00 60.65 58.56 1xxe h LYS 227 Cb 0.04 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 1xxe h LYS 227 CO -0.11 0.78 -0.05 0.28 -1.08 0.00 0.00 179.45 179.28 1xxe h VAL 228 N 0.91 1.26 -0.03 0.50 2.07 -0.14 -0.40 116.25 120.42 1xxe h VAL 228 Ca 0.22 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1xxe h VAL 228 Cb 0.16 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1xxe h VAL 228 CO -0.02 0.41 -0.12 0.15 0.02 0.00 0.00 177.57 178.01 1xxe h PHE 229 N 0.88 -0.32 -0.01 1.57 3.57 0.22 -1.63 116.94 121.22 1xxe h PHE 229 Ca 0.15 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1xxe h PHE 229 Cb 0.58 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1xxe h PHE 229 CO 0.04 -0.19 -0.51 -0.44 -2.23 0.00 0.00 178.31 174.98 1xxe h ASP 230 N -0.20 0.01 -0.85 0.41 3.32 -1.18 -2.36 116.42 115.58 1xxe h ASP 230 Ca 0.05 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.18 1xxe h ASP 230 Cb 0.27 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 1xxe h ASP 230 CO -0.15 0.52 0.55 0.25 -1.72 0.00 0.00 179.24 178.69 1xxe h LEU 231 N 0.01 0.77 -0.03 1.55 5.85 -0.15 0.14 115.31 123.45 1xxe h LEU 231 Ca -0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1xxe h LEU 231 Cb 0.90 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1xxe h LEU 231 CO 0.07 0.47 -0.10 0.40 -0.34 0.00 0.00 178.44 178.93 1xxe h ILE 232 N 0.86 1.49 -1.17 4.05 2.04 -1.01 -2.00 117.51 121.77 1xxe h ILE 232 Ca 0.38 -1.58 0.33 0.00 1.00 0.00 0.00 64.86 64.99 1xxe h ILE 232 Cb 0.35 2.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 1xxe h ILE 232 CO -0.15 0.43 0.82 1.23 0.00 0.00 0.00 178.15 180.48 1xxe h GLY 233 N -0.48 0.32 1.76 5.37 0.00 -0.70 0.96 103.07 110.31 1xxe h GLY 233 Ca -0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 1xxe h GLY 233 CO 0.02 -0.05 -1.13 -0.55 0.00 0.00 0.00 176.54 174.84 1xxe h ASP 234 N 0.09 0.00 1.69 0.19 3.32 -0.54 -3.26 116.42 117.91 1xxe h ASP 234 Ca 0.58 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.59 1xxe h ASP 234 Cb 2.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.67 1xxe h ASP 234 CO -0.09 0.96 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.10 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.15 -2.98 115.31 117.41 1xxe h LEU 235 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xxe h LEU 235 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1xxe h LEU 235 CO 0.11 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.87 1xxe n TYR 236 N -3.17 0.00 -0.01 1.13 9.36 0.81 -2.77 117.16 122.52 1xxe n TYR 236 Ca 0.03 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.48 1xxe n TYR 236 Cb 0.61 -0.45 0.72 0.00 -0.63 0.00 0.00 39.34 39.59 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 -1.94 2.98 3.38 -1.65 0.62 115.31 118.69 1xxe h LEU 237 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.22 -0.07 0.09 0.00 0.00 178.44 178.68 1xxe h LEU 238 N 0.00 0.00 0.00 1.67 3.38 -1.79 -3.29 115.31 115.28 1xxe h LEU 238 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1xxe h LEU 238 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 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 -1.21 0.57 3.50 0.83 0.00 0.22 -5.02 105.19 104.08 1xxe n GLY 239 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.21 -0.62 0.13 1.61 1.04 -1.25 -4.78 113.70 107.63 1xxe s SER 240 Ca 0.00 0.80 -0.33 0.00 0.48 0.00 0.00 55.95 56.90 1xxe s SER 240 Cb 0.00 0.71 -0.17 0.00 0.10 0.00 0.00 66.02 66.66 1xxe s SER 240 CO 0.00 -0.50 0.91 -2.65 0.98 0.00 0.00 173.24 171.98 1xxe n PRO 241 N 1.38 0.41 -3.91 4.02 -0.02 -1.26 -4.60 135.00 131.03 1xxe n PRO 241 Ca -0.18 0.15 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1xxe n PRO 241 Cb 0.56 -1.47 -0.08 0.00 -0.02 0.00 0.00 33.50 32.49 1xxe n PRO 241 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xxe s VAL 242 N -0.44 5.14 -0.12 -1.45 1.01 -1.26 -1.12 120.40 122.17 1xxe s VAL 242 Ca 0.75 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1xxe s VAL 242 Cb -1.00 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1xxe s VAL 242 CO 0.55 0.50 -0.20 -0.54 0.00 0.00 0.00 175.10 175.42 1xxe s LYS 243 N -0.06 2.71 0.00 2.72 -0.14 0.14 -4.70 119.74 120.40 1xxe s LYS 243 Ca 0.08 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.95 1xxe s LYS 243 Cb -0.12 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 1xxe s LYS 243 CO 0.00 0.03 0.00 0.41 -0.76 0.00 0.00 175.35 175.03 1xxe n GLY 244 N 3.94 0.28 3.32 -3.33 0.00 -1.03 -1.23 105.19 107.15 1xxe n GLY 244 Ca -0.20 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.92 2.73 0.06 1.61 2.20 0.13 -1.17 119.74 123.39 1xxe s LYS 245 Ca 0.00 -1.12 0.05 0.00 -0.36 0.00 0.00 55.97 54.54 1xxe s LYS 245 Cb 0.00 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1xxe s LYS 245 CO 0.00 -0.68 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.17 1xxe s PHE 246 N 1.48 2.80 0.03 4.03 0.40 0.79 -0.70 117.98 126.80 1xxe s PHE 246 Ca 0.00 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1xxe s PHE 246 Cb -0.19 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 1xxe s PHE 246 CO 0.05 0.40 -0.17 -0.47 0.70 0.00 0.00 175.22 175.72 1xxe s TYR 247 N -1.12 1.50 -0.05 0.36 6.14 0.18 -0.47 117.35 123.88 1xxe s TYR 247 Ca 0.20 -0.34 0.01 0.00 0.64 0.00 0.00 57.07 57.57 1xxe s TYR 247 Cb -0.11 -0.91 0.02 0.00 0.42 0.00 0.00 41.96 41.38 1xxe s TYR 247 CO 0.11 0.04 -0.03 -1.12 0.64 0.00 0.00 175.55 175.19 1xxe s SER 248 N -0.98 1.00 -0.31 4.32 0.01 0.33 -1.19 113.70 116.87 1xxe s SER 248 Ca 0.05 -0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.16 1xxe s SER 248 Cb -0.08 -0.43 0.04 0.00 0.21 0.00 0.00 66.02 65.76 1xxe s SER 248 CO 0.01 -0.08 0.04 0.12 0.41 0.00 0.00 173.24 173.74 1xxe s PHE 249 N 1.09 3.24 -1.27 2.43 2.19 0.10 0.32 117.98 126.07 1xxe s PHE 249 Ca -0.08 -1.63 -0.14 0.00 0.33 0.00 0.00 56.93 55.40 1xxe s PHE 249 Cb -0.14 -2.17 0.00 0.00 -1.31 0.00 0.00 43.02 39.40 1xxe s PHE 249 CO -0.01 -0.76 0.60 0.54 1.83 0.00 0.00 175.22 177.42 1xxe n ARG 250 N 4.71 -1.83 -2.78 10.12 5.12 -0.24 -1.89 116.66 129.87 1xxe n ARG 250 Ca -0.13 0.36 -0.38 0.00 -1.93 0.00 0.00 57.85 55.76 1xxe n ARG 250 Cb 0.44 -4.00 -0.06 0.00 -1.16 0.00 0.00 32.46 27.69 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 2.96 0.26 -0.13 0.00 -1.26 -4.03 107.32 101.25 1xxe s GLY 251 Ca 0.28 0.56 0.09 0.00 0.00 0.00 0.00 44.72 45.64 1xxe s GLY 251 CO 0.90 1.06 0.06 -0.32 0.00 0.00 0.00 173.10 174.80 1xxe s GLY 252 N -1.39 1.58 0.14 0.20 0.00 -1.26 -4.99 107.32 101.60 1xxe s GLY 252 Ca 0.45 -1.56 -0.18 0.00 0.00 0.00 0.00 44.72 43.43 1xxe s GLY 252 CO 0.28 -1.61 1.72 0.45 0.00 0.00 0.00 173.10 173.93 1xxe h HIS 253 N 1.82 0.03 0.31 1.90 3.86 -1.97 0.17 115.15 121.28 1xxe h HIS 253 Ca -0.46 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1xxe h HIS 253 Cb 1.24 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 1xxe h HIS 253 CO 0.64 -0.02 -0.28 0.66 0.86 0.00 0.00 177.93 179.80 1xxe h SER 254 N 0.12 -0.73 -0.95 2.45 4.64 -1.89 -1.44 113.55 115.74 1xxe h SER 254 Ca 0.13 0.06 0.19 0.00 -0.47 0.00 0.00 61.79 61.70 1xxe h SER 254 Cb 0.16 0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 62.41 1xxe h SER 254 CO -0.20 -0.41 0.61 0.25 -0.87 0.00 0.00 176.83 176.20 1xxe h LEU 255 N -0.61 0.60 0.44 5.97 5.85 -1.87 -1.04 115.31 124.66 1xxe h LEU 255 Ca -0.02 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1xxe h LEU 255 Cb 0.54 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1xxe h LEU 255 CO -0.04 0.24 -0.29 0.78 -0.34 0.00 0.00 178.44 178.79 1xxe h ASN 256 N 0.60 -0.75 -0.84 1.25 -0.26 0.08 -1.96 115.58 113.70 1xxe h ASN 256 Ca 0.51 0.05 0.17 0.00 -0.56 0.00 0.00 56.30 56.47 1xxe h ASN 256 Cb 0.99 0.23 -0.10 0.00 -1.06 0.00 0.00 38.32 38.37 1xxe h ASN 256 CO -0.26 -0.46 0.38 0.58 -1.06 0.00 0.00 177.43 176.62 1xxe h VAL 257 N -0.71 0.63 -0.28 2.81 2.07 -0.60 -0.15 116.25 120.01 1xxe h VAL 257 Ca -0.05 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1xxe h VAL 257 Cb 0.59 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1xxe h VAL 257 CO 0.03 0.09 -0.03 0.50 0.02 0.00 0.00 177.57 178.19 1xxe h LYS 258 N 0.50 0.05 -0.93 1.57 3.64 -0.72 0.72 116.57 121.41 1xxe h LYS 258 Ca 0.48 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 60.01 1xxe h LYS 258 Cb 0.78 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.49 1xxe h LYS 258 CO -0.43 0.03 0.53 1.25 -2.27 0.00 0.00 179.45 178.57 1xxe h LEU 259 N 0.05 0.71 0.02 5.20 5.85 -0.33 0.32 115.31 127.13 1xxe h LEU 259 Ca 0.13 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1xxe h LEU 259 Cb 0.19 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xxe h LEU 259 CO -0.25 0.31 -0.01 0.58 -0.34 0.00 0.00 178.44 178.73 1xxe h VAL 260 N 0.76 1.42 -0.75 1.05 2.07 -0.50 -2.13 116.25 118.17 1xxe h VAL 260 Ca 0.50 -1.37 0.16 0.00 0.82 0.00 0.00 66.70 66.81 1xxe h VAL 260 Cb 0.66 2.33 -0.11 0.00 -1.52 0.00 0.00 31.29 32.66 1xxe h VAL 260 CO -0.34 0.35 0.23 0.11 0.02 0.00 0.00 177.57 177.95 1xxe h LYS 261 N -0.62 0.32 -0.24 1.57 1.57 0.13 0.55 116.57 119.84 1xxe h LYS 261 Ca -0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1xxe h LYS 261 Cb 0.59 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1xxe h LYS 261 CO 0.00 0.21 -0.35 1.49 -0.57 0.00 0.00 179.45 180.24 1xxe h GLU 262 N 0.33 0.66 -0.56 3.15 4.57 -1.00 -2.04 114.58 119.69 1xxe h GLU 262 Ca 0.43 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1xxe h GLU 262 Cb 0.72 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 1xxe h GLU 262 CO -0.48 1.00 0.29 -0.07 -1.18 0.00 0.00 179.01 178.57 1xxe h LEU 263 N 0.37 0.72 -1.17 1.64 3.38 -0.44 0.64 115.31 120.45 1xxe h LEU 263 Ca 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1xxe h LEU 263 Cb 0.93 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1xxe h LEU 263 CO 0.08 0.63 -0.10 0.00 0.09 0.00 0.00 178.44 179.14 1xxe h ALA 264 N 1.12 1.31 0.10 1.53 0.00 0.08 -2.74 119.26 120.66 1xxe h ALA 264 Ca 0.20 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 1xxe h ALA 264 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xxe h ALA 264 CO -0.03 0.46 -1.43 0.87 0.00 0.00 0.00 179.25 179.12 1xxe h LYS 265 N 0.42 0.22 -1.03 0.00 1.57 -0.90 -3.24 116.57 113.61 1xxe h LYS 265 Ca 0.08 -0.37 0.26 0.00 -1.87 0.00 0.00 60.65 58.75 1xxe h LYS 265 Cb 0.44 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 1xxe h LYS 265 CO 0.02 1.09 0.66 0.87 -0.57 0.00 0.00 179.45 181.52 1xxe h LYS 266 N 0.06 0.40 0.00 3.15 1.57 0.56 -2.29 116.57 120.01 1xxe h LYS 266 Ca -0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1xxe h LYS 266 Cb 1.98 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.20 1xxe h LYS 266 CO 0.16 0.26 0.00 0.94 -0.57 0.00 0.00 179.45 180.24 1xxe n GLN 267 N -4.63 0.00 -0.41 3.15 7.27 -1.08 -0.91 117.38 120.77 1xxe n GLN 267 Ca 0.25 0.98 0.05 0.00 0.07 0.00 0.00 57.00 58.35 1xxe n GLN 267 Cb 0.86 -1.48 0.22 0.00 2.41 0.00 0.00 30.24 32.25 1xxe n GLN 267 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1xxe n LYS 268 N -2.92 2.79 -0.76 3.69 5.02 -1.02 -3.96 118.16 121.01 1xxe n LYS 268 Ca 0.00 -1.72 -0.01 0.00 -2.02 0.00 0.00 58.31 54.56 1xxe n LYS 268 Cb 0.00 -1.72 0.25 0.00 -0.02 0.00 0.00 35.03 33.54 1xxe n LYS 268 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xxe n LEU 269 N 0.51 4.69 0.00 -0.35 4.77 -0.09 -5.15 117.00 121.38 1xxe n LEU 269 Ca 0.15 -3.36 0.08 0.00 -0.03 0.00 0.00 56.01 52.85 1xxe n LEU 269 Cb 0.64 -0.64 0.45 0.00 -2.33 0.00 0.00 43.42 41.54 1xxe n LEU 269 CO 0.16 0.93 0.66 0.41 -1.33 0.00 0.00 177.39 178.21