#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 0.48 -5.07 3.23 -0.58 0.45 -4.66 120.64 114.50 1xxe n GLU 4 Ca 0.00 0.18 -0.28 0.00 -0.42 0.00 0.00 57.16 56.64 1xxe n GLU 4 Cb 0.00 -1.55 -0.16 0.00 -0.57 0.00 0.00 31.44 29.16 1xxe n GLU 4 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xxe s LYS 5 N -1.76 1.87 0.28 3.49 2.47 -1.26 -0.84 119.74 123.99 1xxe s LYS 5 Ca 0.65 -0.77 0.02 0.00 -1.56 0.00 0.00 55.97 54.31 1xxe s LYS 5 Cb -0.51 -1.75 -0.05 0.00 -1.46 0.00 0.00 37.83 34.07 1xxe s LYS 5 CO 0.57 0.43 0.11 -0.08 0.16 0.00 0.00 175.35 176.54 1xxe s THR 6 N -0.40 0.54 0.22 3.43 -1.32 0.93 -1.89 115.64 117.15 1xxe s THR 6 Ca 0.05 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.27 1xxe s THR 6 Cb -0.09 -2.60 -0.09 0.00 -1.51 0.00 0.00 72.50 68.21 1xxe s THR 6 CO 0.00 0.00 0.85 0.68 -2.21 0.00 0.00 174.62 173.94 1xxe s VAL 7 N -3.67 4.26 -0.03 5.08 -7.23 -1.26 0.18 120.40 117.73 1xxe s VAL 7 Ca 0.37 1.83 -0.23 0.00 -1.81 0.00 0.00 61.98 62.13 1xxe s VAL 7 Cb 0.07 -4.17 -0.24 0.00 0.56 0.00 0.00 36.38 32.60 1xxe s VAL 7 CO 0.15 0.45 1.05 0.50 -0.31 0.00 0.00 175.10 176.93 1xxe h LYS 8 N 4.05 0.25 -5.78 4.82 3.11 -0.35 -3.42 116.57 119.25 1xxe h LYS 8 Ca -0.46 -0.26 -0.49 0.00 -2.81 0.00 0.00 60.65 56.62 1xxe h LYS 8 Cb 1.20 0.07 -0.18 0.00 -1.00 0.00 0.00 32.23 32.32 1xxe h LYS 8 CO 0.67 0.98 -0.78 -2.00 -2.81 0.00 0.00 179.45 175.51 1xxe s GLU 9 N -3.14 1.17 0.24 1.90 2.12 -1.26 -4.99 118.70 114.74 1xxe s GLU 9 Ca -0.15 -1.32 -0.31 0.00 0.36 0.00 0.00 54.97 53.55 1xxe s GLU 9 Cb 0.02 -1.19 -0.13 0.00 0.26 0.00 0.00 34.13 33.08 1xxe s GLU 9 CO 0.77 0.24 1.38 1.17 -0.54 0.00 0.00 175.26 178.27 1xxe n LYS 10 N 0.46 1.98 -4.39 4.30 4.81 -1.26 -4.90 118.16 119.15 1xxe n LYS 10 Ca -0.15 0.70 -0.26 0.00 -0.87 0.00 0.00 58.31 57.73 1xxe n LYS 10 Cb 0.57 -2.34 -0.12 0.00 0.02 0.00 0.00 35.03 33.16 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 0.05 2.39 -0.07 3.14 1.43 -0.86 -4.97 118.68 119.79 1xxe s LEU 11 Ca 0.67 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 1xxe s LEU 11 Cb -0.66 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1xxe s LEU 11 CO 0.51 0.11 0.41 -0.94 0.23 0.00 0.00 176.35 176.66 1xxe s SER 12 N -2.45 -0.35 0.22 2.29 1.04 -1.26 -0.37 113.70 112.82 1xxe s SER 12 Ca 0.17 0.46 0.06 0.00 0.48 0.00 0.00 55.95 57.12 1xxe s SER 12 Cb -0.08 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 1xxe s SER 12 CO 0.08 -0.37 -0.08 -0.36 0.98 0.00 0.00 173.24 173.49 1xxe s PHE 13 N -0.76 1.66 -0.12 5.02 0.40 -0.51 -4.94 117.98 118.73 1xxe s PHE 13 Ca -0.08 -0.71 -0.07 0.00 -0.60 0.00 0.00 56.93 55.46 1xxe s PHE 13 Cb -0.04 -0.87 0.04 0.00 0.51 0.00 0.00 43.02 42.67 1xxe s PHE 13 CO 0.04 0.20 0.28 -1.83 0.70 0.00 0.00 175.22 174.61 1xxe s GLU 14 N -3.73 0.27 0.00 0.44 -1.05 -1.26 -1.03 118.70 112.33 1xxe s GLU 14 Ca 0.24 0.54 0.00 0.00 -0.15 0.00 0.00 54.97 55.60 1xxe s GLU 14 Cb 0.02 -0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.68 1xxe s GLU 14 CO 0.07 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.56 1xxe n GLY 15 N 3.91 1.51 3.85 -3.83 0.00 -0.73 -4.95 105.19 104.94 1xxe n GLY 15 Ca -0.22 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 3.37 0.00 1.61 0.11 -1.26 -2.07 120.40 120.17 1xxe s VAL 16 Ca 0.00 0.45 -0.17 0.00 -2.93 0.00 0.00 61.98 59.32 1xxe s VAL 16 Cb 0.00 -3.33 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1xxe s VAL 16 CO 0.00 -0.58 0.49 -0.83 -3.33 0.00 0.00 175.10 170.85 1xxe s GLY 17 N -4.14 2.54 0.13 6.54 0.00 -0.71 -1.40 107.32 110.28 1xxe s GLY 17 Ca 0.59 -0.11 -0.19 0.00 0.00 0.00 0.00 44.72 45.01 1xxe s GLY 17 CO 0.53 0.42 1.76 1.19 0.00 0.00 0.00 173.10 177.00 1xxe h ILE 18 N 3.88 0.97 0.14 0.90 2.10 -1.81 0.52 117.51 124.21 1xxe h ILE 18 Ca -0.48 -0.07 -0.34 0.00 1.08 0.00 0.00 64.86 65.05 1xxe h ILE 18 Cb 1.21 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 1xxe h ILE 18 CO 0.65 0.04 -1.76 0.45 -1.08 0.00 0.00 178.15 176.45 1xxe h HIS 19 N 0.20 0.54 -0.09 2.19 3.86 -1.88 3.38 115.15 123.36 1xxe h HIS 19 Ca 0.09 -0.39 -0.24 0.00 -1.16 0.00 0.00 60.37 58.67 1xxe h HIS 19 Cb 0.05 -0.02 0.02 0.00 1.06 0.00 0.00 27.41 28.51 1xxe h HIS 19 CO -0.11 1.59 -0.89 1.15 0.86 0.00 0.00 177.93 180.52 1xxe h THR 20 N 0.08 1.27 -0.75 2.45 2.02 -1.92 -1.98 112.91 114.10 1xxe h THR 20 Ca -0.34 -2.08 -0.20 0.00 0.77 0.00 0.00 66.41 64.56 1xxe h THR 20 Cb 2.06 2.14 -0.06 0.00 -1.74 0.00 0.00 68.15 70.55 1xxe h THR 20 CO 0.14 0.66 -0.20 0.61 0.37 0.00 0.00 175.52 177.10 1xxe n GLY 21 N 0.86 0.77 3.61 2.16 0.00 0.18 -4.55 105.19 108.22 1xxe n GLY 21 Ca -0.09 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1xxe n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xxe s GLU 22 N -3.33 2.22 0.19 1.61 2.56 -1.26 -4.78 118.70 115.91 1xxe s GLU 22 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 54.97 53.64 1xxe s GLU 22 Cb 0.00 -2.34 -0.08 0.00 2.00 0.00 0.00 34.13 33.71 1xxe s GLU 22 CO 0.00 0.50 1.26 -0.47 -0.56 0.00 0.00 175.26 175.98 1xxe s TYR 23 N -1.35 3.34 0.05 5.30 5.04 -1.26 -1.73 117.35 126.74 1xxe s TYR 23 Ca 0.23 1.31 -0.02 0.00 -2.44 0.00 0.00 57.07 56.15 1xxe s TYR 23 Cb -0.11 -3.52 -0.03 0.00 0.35 0.00 0.00 41.96 38.65 1xxe s TYR 23 CO 0.15 -1.57 0.01 0.45 -1.34 0.00 0.00 175.55 173.25 1xxe s SER 24 N 0.29 0.39 0.09 4.32 0.15 -0.88 -4.86 113.70 113.21 1xxe s SER 24 Ca 0.55 -0.86 0.04 0.00 0.70 0.00 0.00 55.95 56.37 1xxe s SER 24 Cb -0.34 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1xxe s SER 24 CO 0.37 -0.58 -0.10 -0.75 1.20 0.00 0.00 173.24 173.38 1xxe s LYS 25 N -3.54 0.83 0.11 5.44 2.20 -0.85 -1.77 119.74 122.16 1xxe s LYS 25 Ca 0.03 -1.14 0.06 0.00 -0.36 0.00 0.00 55.97 54.57 1xxe s LYS 25 Cb 0.05 -0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 35.81 1xxe s LYS 25 CO -0.09 0.08 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.32 1xxe s LEU 26 N -2.40 2.35 -0.05 5.43 1.43 -0.20 -0.39 118.68 124.84 1xxe s LEU 26 Ca 0.05 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1xxe s LEU 26 Cb -0.03 -0.62 0.04 0.00 0.03 0.00 0.00 46.19 45.60 1xxe s LEU 26 CO -0.00 -0.08 0.11 -0.63 0.23 0.00 0.00 176.35 175.98 1xxe s ILE 27 N -1.68 -0.11 -0.22 -0.59 1.01 -0.51 -1.43 121.20 117.67 1xxe s ILE 27 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 1xxe s ILE 27 Cb -0.08 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.21 1xxe s ILE 27 CO 0.03 0.11 -0.09 -0.63 0.00 0.00 0.00 174.94 174.37 1xxe s ILE 28 N 1.56 2.84 0.10 2.92 1.01 0.51 0.40 121.20 130.54 1xxe s ILE 28 Ca -0.04 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.83 1xxe s ILE 28 Cb -0.12 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1xxe s ILE 28 CO -0.05 0.34 -0.10 -1.00 0.00 0.00 0.00 174.94 174.13 1xxe s HIS 29 N 1.36 2.73 0.97 3.97 3.76 -0.91 -2.03 115.29 125.15 1xxe s HIS 29 Ca 0.03 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 54.67 1xxe s HIS 29 Cb -0.15 -1.44 0.17 0.00 1.11 0.00 0.00 32.58 32.27 1xxe s HIS 29 CO -0.06 0.41 1.10 -1.25 -0.85 0.00 0.00 174.74 174.10 1xxe s PRO 30 N -2.13 0.63 0.19 8.40 0.04 -1.26 -1.62 135.00 139.25 1xxe s PRO 30 Ca 0.21 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.52 1xxe s PRO 30 Cb -0.11 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1xxe s PRO 30 CO 0.13 -2.80 0.13 0.39 0.04 0.00 0.00 177.00 174.89 1xxe n GLU 31 N -4.32 0.39 -3.05 4.56 -0.58 -1.26 -4.66 120.64 111.73 1xxe n GLU 31 Ca 0.09 -1.81 -0.31 0.00 -0.42 0.00 0.00 57.16 54.71 1xxe n GLU 31 Cb 0.53 1.31 -0.05 0.00 -0.57 0.00 0.00 31.44 32.66 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 -2.76 3.88 0.63 3.49 2.20 -1.26 -4.96 119.74 120.96 1xxe s LYS 32 Ca 0.18 0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 56.15 1xxe s LYS 32 Cb 0.01 -2.44 -0.06 0.00 -1.51 0.00 0.00 37.83 33.83 1xxe s LYS 32 CO 0.13 0.09 0.67 -1.91 -0.36 0.00 0.00 175.35 173.97 1xxe n GLU 33 N -0.74 0.56 -1.48 4.03 0.00 -1.26 -1.81 120.64 119.94 1xxe n GLU 33 Ca 0.03 0.23 -0.17 0.00 0.00 0.00 0.00 57.16 57.25 1xxe n GLU 33 Cb 0.53 -1.89 -0.07 0.00 0.00 0.00 0.00 31.44 30.02 1xxe n GLU 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xxe n GLY 34 N 1.58 1.65 0.10 8.31 0.00 -1.26 -4.87 105.19 110.70 1xxe n GLY 34 Ca 0.12 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 1.47 0.00 2.61 2.02 -1.73 -3.51 112.91 113.77 1xxe h THR 35 Ca -0.34 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.42 1xxe h THR 35 Cb 1.11 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.62 1xxe h THR 35 CO 0.50 0.64 0.00 0.61 0.37 0.00 0.00 175.52 177.64 1xxe n GLY 36 N 1.64 -2.08 3.63 2.16 0.00 -1.26 -4.90 105.19 104.37 1xxe n GLY 36 Ca -0.16 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.18 5.26 0.01 -0.61 -1.09 -1.14 -2.37 121.20 121.08 1xxe s ILE 37 Ca 0.00 0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 1xxe s ILE 37 Cb 0.00 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1xxe s ILE 37 CO 0.00 0.24 -0.04 0.00 -1.23 0.00 0.00 174.94 173.91 1xxe s ARG 38 N 1.62 0.33 0.15 2.79 1.70 -1.06 -1.62 118.95 122.87 1xxe s ARG 38 Ca 0.12 -0.36 0.05 0.00 -0.47 0.00 0.00 55.73 55.06 1xxe s ARG 38 Cb -0.15 -0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.00 1xxe s ARG 38 CO 0.09 0.04 0.13 -0.06 -1.08 0.00 0.00 175.30 174.41 1xxe s PHE 39 N -0.65 3.14 0.01 5.89 0.08 -0.57 -1.70 117.98 124.18 1xxe s PHE 39 Ca -0.05 -0.01 0.04 0.00 0.12 0.00 0.00 56.93 57.04 1xxe s PHE 39 Cb -0.05 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1xxe s PHE 39 CO -0.00 0.52 -0.14 0.12 -0.10 0.00 0.00 175.22 175.62 1xxe s PHE 40 N -1.71 1.21 -0.29 0.36 2.19 -0.73 0.53 117.98 119.54 1xxe s PHE 40 Ca 0.31 -0.27 -0.23 0.00 0.33 0.00 0.00 56.93 57.06 1xxe s PHE 40 Cb -0.10 -0.75 0.15 0.00 -1.31 0.00 0.00 43.02 41.01 1xxe s PHE 40 CO 0.23 0.00 1.18 0.21 1.83 0.00 0.00 175.22 178.67 1xxe s LYS 41 N -0.61 0.31 -1.72 10.12 2.20 -0.15 -1.69 119.74 128.21 1xxe s LYS 41 Ca 0.04 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1xxe s LYS 41 Cb -0.06 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1xxe s LYS 41 CO 0.00 -0.04 0.00 0.09 -0.36 0.00 0.00 175.35 175.04 1xxe n ASN 42 N 2.23 -5.69 -1.00 1.43 4.13 -1.26 -0.97 115.26 114.13 1xxe n ASN 42 Ca -0.13 0.02 -0.10 0.00 1.68 0.00 0.00 54.58 56.05 1xxe n ASN 42 Cb 0.56 -4.75 -0.02 0.00 -1.54 0.00 0.00 39.78 34.03 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xxe n GLY 43 N -0.98 0.44 3.01 7.41 0.00 -1.26 -5.01 105.19 108.79 1xxe n GLY 43 Ca -0.24 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.45 0.65 0.11 1.61 1.01 -0.14 -5.14 120.40 116.05 1xxe s VAL 44 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 1xxe s VAL 44 Cb 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 1xxe s VAL 44 CO 0.00 0.19 0.41 -0.31 0.00 0.00 0.00 175.10 175.39 1xxe s TYR 45 N -0.17 3.54 -0.30 5.22 1.51 -1.26 -0.98 117.35 124.91 1xxe s TYR 45 Ca 0.03 0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 56.80 1xxe s TYR 45 Cb -0.03 -2.14 0.10 0.00 -0.11 0.00 0.00 41.96 39.78 1xxe s TYR 45 CO -0.00 0.47 0.14 0.42 -1.11 0.00 0.00 175.55 175.46 1xxe s ILE 46 N -1.51 0.00 0.32 2.71 1.01 0.19 -4.89 121.20 119.04 1xxe s ILE 46 Ca 0.37 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.85 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 0.20 -0.76 1.02 -2.65 0.00 0.00 0.00 174.94 172.75 1xxe n PRO 47 N 5.10 1.40 -2.85 2.79 -0.02 -1.26 -1.51 135.00 138.65 1xxe n PRO 47 Ca -0.04 0.49 -0.44 0.00 -2.02 0.00 0.00 63.50 61.50 1xxe n PRO 47 Cb 0.41 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1xxe n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xxe n ALA 48 N 0.05 3.82 -2.52 3.55 0.00 -0.64 -4.83 120.51 119.95 1xxe n ALA 48 Ca 0.09 -4.15 -0.10 0.00 0.00 0.00 0.00 53.44 49.28 1xxe n ALA 48 Cb 0.34 -3.19 -0.11 0.00 0.00 0.00 0.00 19.45 16.50 1xxe n ALA 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xxe s ARG 49 N 2.19 0.59 0.15 0.00 3.52 -1.26 -4.53 118.95 119.61 1xxe s ARG 49 Ca 0.46 -1.00 -0.18 0.00 -0.13 0.00 0.00 55.73 54.88 1xxe s ARG 49 Cb -0.01 -0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.34 1xxe s ARG 49 CO 0.02 -0.02 1.70 1.12 -0.81 0.00 0.00 175.30 177.30 1xxe h HIS 50 N 3.79 -0.09 0.00 5.12 2.07 -1.93 0.11 115.15 124.22 1xxe h HIS 50 Ca -0.34 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.20 1xxe h HIS 50 Cb 1.18 0.09 0.00 0.00 2.57 0.00 0.00 27.41 31.25 1xxe h HIS 50 CO 0.61 -0.09 0.54 0.93 -3.07 0.00 0.00 177.93 176.84 1xxe h GLU 51 N 0.04 0.00 -0.56 5.12 5.08 -1.97 2.75 114.58 125.05 1xxe h GLU 51 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xxe h GLU 51 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xxe h GLU 51 CO -0.28 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 178.92 1xxe n PHE 52 N -2.09 0.74 -1.92 4.33 3.72 0.36 -4.94 117.46 117.66 1xxe n PHE 52 Ca -0.01 -0.37 -0.42 0.00 -0.05 0.00 0.00 57.45 56.61 1xxe n PHE 52 Cb 0.55 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.26 2.50 -0.05 -4.37 1.01 0.92 -1.92 120.40 117.23 1xxe s VAL 53 Ca 0.43 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.82 1xxe s VAL 53 Cb 0.23 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1xxe s VAL 53 CO 0.31 0.05 -0.01 1.33 0.00 0.00 0.00 175.10 176.78 1xxe n VAL 54 N 3.02 0.30 -3.67 2.92 0.24 -0.99 -4.83 118.33 115.31 1xxe n VAL 54 Ca 0.10 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 62.14 1xxe n VAL 54 Cb 0.39 -0.81 -0.11 0.00 -1.47 0.00 0.00 33.84 31.84 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 -0.63 -0.14 6.34 5.65 -1.19 -5.05 115.29 118.15 1xxe s HIS 55 Ca -0.04 1.29 -0.01 0.00 0.25 0.00 0.00 55.06 56.54 1xxe s HIS 55 Cb 0.02 0.20 -0.02 0.00 -1.18 0.00 0.00 32.58 31.59 1xxe s HIS 55 CO 0.15 -0.40 -0.10 0.95 -0.65 0.00 0.00 174.74 174.69 1xxe s THR 56 N 2.20 3.34 0.00 0.89 -4.23 -1.26 -1.82 115.64 114.75 1xxe s THR 56 Ca -0.03 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1xxe s THR 56 Cb -0.11 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1xxe s THR 56 CO -0.11 0.51 0.00 -3.20 -0.54 0.00 0.00 174.62 171.28 1xxe n ASN 57 N 3.59 0.00 0.20 3.99 2.85 -1.26 -4.82 115.26 119.80 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 0.18 0.00 1.24 0.00 0.00 39.78 41.73 1xxe n ASN 57 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1xxe h HIS 58 N 0.00 0.00 -3.95 1.20 3.86 -2.03 -3.39 115.15 110.83 1xxe h HIS 58 Ca 0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 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 -0.65 0.45 0.86 0.00 0.00 177.93 178.59 1xxe s SER 59 N -3.01 0.96 -0.25 2.45 0.15 -1.26 -5.02 113.70 107.71 1xxe s SER 59 Ca -0.01 -1.22 -0.09 0.00 0.70 0.00 0.00 55.95 55.33 1xxe s SER 59 Cb 0.02 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1xxe s SER 59 CO 0.06 -0.64 0.12 -0.89 1.20 0.00 0.00 173.24 173.10 1xxe s THR 60 N -3.78 4.84 -0.04 6.45 2.01 -1.26 -4.59 115.64 119.27 1xxe s THR 60 Ca 0.26 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1xxe s THR 60 Cb 0.07 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1xxe s THR 60 CO 0.05 0.31 -0.24 -1.81 -0.69 0.00 0.00 174.62 172.24 1xxe s ASP 61 N 1.51 3.16 0.32 3.53 1.11 -0.76 -0.77 116.67 124.78 1xxe s ASP 61 Ca 0.06 -0.46 0.10 0.00 0.18 0.00 0.00 52.55 52.43 1xxe s ASP 61 Cb -0.15 -0.58 -0.06 0.00 1.07 0.00 0.00 42.92 43.20 1xxe s ASP 61 CO 0.06 0.29 -0.08 -0.76 1.18 0.00 0.00 175.17 175.87 1xxe s LEU 62 N -0.45 2.81 0.00 1.23 1.43 -0.71 -2.34 118.68 120.65 1xxe s LEU 62 Ca 0.05 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1xxe s LEU 62 Cb -0.11 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1xxe s LEU 62 CO 0.01 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1xxe n GLY 63 N -0.81 1.37 3.13 -3.19 0.00 -0.81 0.03 105.19 104.91 1xxe n GLY 63 Ca -0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.62 0.07 -1.82 1.61 5.36 0.56 -4.69 117.98 117.44 1xxe s PHE 64 Ca 0.00 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1xxe s PHE 64 Cb 0.00 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1xxe s PHE 64 CO 0.00 -0.33 0.00 1.63 -1.46 0.00 0.00 175.22 175.06 1xxe n LYS 65 N 1.17 -1.56 -0.31 10.12 4.76 -1.26 -0.71 118.16 130.36 1xxe n LYS 65 Ca -0.21 1.02 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 1xxe n LYS 65 Cb 0.57 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.28 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 -0.57 0.81 3.89 0.72 0.00 -1.26 -5.05 105.19 103.73 1xxe n GLY 66 Ca -0.20 0.00 -0.35 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 -0.60 3.50 0.04 1.61 -1.52 0.12 -5.10 119.66 117.72 1xxe s GLN 67 Ca 0.00 -0.16 -0.04 0.00 -1.95 0.00 0.00 55.36 53.21 1xxe s GLN 67 Cb 0.00 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.65 1xxe s GLN 67 CO 0.00 0.69 0.06 1.03 -0.25 0.00 0.00 175.29 176.83 1xxe s ARG 68 N -1.60 0.58 0.03 2.91 0.52 -1.26 -0.32 118.95 119.80 1xxe s ARG 68 Ca 0.24 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.64 1xxe s ARG 68 Cb -0.13 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.55 1xxe s ARG 68 CO 0.14 -0.14 -0.11 0.42 0.02 0.00 0.00 175.30 175.62 1xxe s ILE 69 N -2.83 0.89 0.10 1.52 1.01 0.10 -4.87 121.20 117.12 1xxe s ILE 69 Ca -0.03 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.79 1xxe s ILE 69 Cb 0.00 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1xxe s ILE 69 CO -0.06 -0.05 -0.05 -0.54 0.00 0.00 0.00 174.94 174.25 1xxe s LYS 70 N -1.05 2.33 -0.80 2.79 1.02 -0.80 -1.74 119.74 121.49 1xxe s LYS 70 Ca -0.01 -0.95 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 1xxe s LYS 70 Cb -0.07 -2.42 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1xxe s LYS 70 CO 0.01 0.52 0.69 2.41 -0.92 0.00 0.00 175.35 178.06 1xxe n THR 71 N 0.58 -8.20 0.33 2.17 -1.04 0.05 -1.92 114.28 106.25 1xxe n THR 71 Ca -0.12 -0.28 0.03 0.00 -2.04 0.00 0.00 64.05 61.64 1xxe n THR 71 Cb 0.52 -5.78 -0.04 0.00 -1.82 0.00 0.00 70.33 63.22 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 -2.19 0.00 0.30 12.58 0.24 -1.06 -4.33 118.33 123.88 1xxe n VAL 72 Ca -0.09 -0.34 0.18 0.00 -2.04 0.00 0.00 64.34 62.05 1xxe n VAL 72 Cb 0.56 1.01 0.83 0.00 -1.47 0.00 0.00 33.84 34.77 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 0.07 0.00 0.36 7.34 -0.00 -1.87 -2.46 114.58 118.01 1xxe h GLU 73 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1xxe h GLU 73 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.93 1xxe h GLU 73 CO 0.00 0.00 -0.17 0.45 -0.00 0.00 0.00 179.01 179.29 1xxe h HIS 74 N 0.00 -0.45 -0.78 2.06 3.86 -1.91 -1.91 115.15 116.03 1xxe h HIS 74 Ca 0.00 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1xxe h HIS 74 Cb 0.30 0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.86 1xxe h HIS 74 CO 0.00 -0.28 0.47 0.97 0.86 0.00 0.00 177.93 179.95 1xxe h ILE 75 N -1.04 1.00 -1.00 2.45 6.09 -1.86 -0.38 117.51 122.77 1xxe h ILE 75 Ca -0.05 -0.29 0.11 0.00 -1.37 0.00 0.00 64.86 63.26 1xxe h ILE 75 Cb 0.37 0.08 -0.08 0.00 0.47 0.00 0.00 36.82 37.66 1xxe h ILE 75 CO 0.08 0.15 0.63 -0.07 -3.07 0.00 0.00 178.15 175.87 1xxe h LEU 76 N 0.84 0.94 -0.12 2.19 3.38 -1.50 -1.21 115.31 119.83 1xxe h LEU 76 Ca 0.35 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1xxe h LEU 76 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xxe h LEU 76 CO -0.19 0.52 0.08 -1.28 0.09 0.00 0.00 178.44 177.66 1xxe h SER 77 N 1.02 0.14 0.19 -0.43 0.87 -0.22 0.75 113.55 115.87 1xxe h SER 77 Ca 0.48 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 61.03 1xxe h SER 77 Cb 0.43 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1xxe h SER 77 CO -0.25 0.13 -0.24 0.58 -0.53 0.00 0.00 176.83 176.52 1xxe h VAL 78 N 0.15 0.47 -0.75 2.23 2.07 -0.96 -1.39 116.25 118.07 1xxe h VAL 78 Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.71 1xxe h VAL 78 Cb 0.01 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 30.15 1xxe h VAL 78 CO -0.01 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.81 1xxe h LEU 79 N -0.49 0.27 0.23 2.57 3.38 -1.02 0.16 115.31 120.42 1xxe h LEU 79 Ca 0.01 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1xxe h LEU 79 Cb 0.48 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1xxe h LEU 79 CO -0.09 0.10 -0.36 -0.74 0.09 0.00 0.00 178.44 177.44 1xxe h HIS 80 N 0.44 -0.98 -0.62 1.13 2.76 0.09 0.24 115.15 118.21 1xxe h HIS 80 Ca 0.41 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.56 1xxe h HIS 80 Cb 0.63 0.40 -0.03 0.00 1.55 0.00 0.00 27.41 29.96 1xxe h HIS 80 CO -0.17 -0.48 0.23 -0.07 -1.30 0.00 0.00 177.93 176.14 1xxe h LEU 81 N -0.66 0.84 0.00 0.26 3.38 -0.42 -1.34 115.31 117.36 1xxe h LEU 81 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1xxe h LEU 81 Cb 0.64 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1xxe h LEU 81 CO -0.14 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.33 1xxe n LEU 82 N -4.30 0.00 -3.12 1.67 4.77 0.49 -4.89 117.00 111.61 1xxe n LEU 82 Ca 0.05 0.31 -0.19 0.00 -0.03 0.00 0.00 56.01 56.15 1xxe n LEU 82 Cb 0.18 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1xxe n LEU 82 CO 0.39 -0.04 0.18 -0.62 -1.33 0.00 0.00 177.39 175.98 1xxe n GLU 83 N -1.31 -6.55 -3.18 3.23 1.02 0.71 -4.97 120.64 109.60 1xxe n GLU 83 Ca 0.12 0.71 -0.39 0.00 -0.02 0.00 0.00 57.16 57.58 1xxe n GLU 83 Cb 0.22 -5.38 -0.06 0.00 -0.02 0.00 0.00 31.44 26.19 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 -3.28 5.08 0.00 -3.67 -1.09 -0.51 -4.14 121.20 113.59 1xxe s ILE 84 Ca 0.38 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1xxe s ILE 84 Cb -0.17 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 1xxe s ILE 84 CO 0.62 0.20 0.00 0.35 -1.23 0.00 0.00 174.94 174.88 1xxe n THR 85 N 4.29 0.00 -2.68 2.92 -2.24 -0.79 -4.78 114.28 110.99 1xxe n THR 85 Ca -0.03 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 1xxe n THR 85 Cb 0.51 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.73 6.76 -0.20 3.42 0.02 -1.22 -2.89 114.94 119.10 1xxe s ASN 86 Ca 0.00 0.72 -0.27 0.00 -1.02 0.00 0.00 52.86 52.29 1xxe s ASN 86 Cb 0.00 -2.52 0.10 0.00 0.02 0.00 0.00 41.25 38.85 1xxe s ASN 86 CO 0.00 -0.99 0.88 0.68 0.02 0.00 0.00 177.10 177.69 1xxe s VAL 87 N 3.84 0.00 -0.41 1.60 -7.23 -1.00 -4.10 120.40 113.10 1xxe s VAL 87 Ca 0.44 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.56 1xxe s VAL 87 Cb -0.11 -1.00 0.10 0.00 0.56 0.00 0.00 36.38 35.94 1xxe s VAL 87 CO 0.21 0.00 0.22 -0.89 -0.31 0.00 0.00 175.10 174.34 1xxe s THR 88 N -0.34 3.60 -0.41 5.32 2.01 -0.64 -2.55 115.64 122.64 1xxe s THR 88 Ca -0.02 -1.84 -0.22 0.00 0.31 0.00 0.00 61.69 59.93 1xxe s THR 88 Cb -0.03 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 69.13 1xxe s THR 88 CO 0.01 -0.63 0.70 -0.63 -0.69 0.00 0.00 174.62 173.38 1xxe s ILE 89 N 1.24 4.78 -0.26 1.82 1.01 -0.69 -2.15 121.20 126.96 1xxe s ILE 89 Ca 0.06 0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.97 1xxe s ILE 89 Cb -0.23 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1xxe s ILE 89 CO -0.02 -0.53 0.52 -1.61 0.00 0.00 0.00 174.94 173.30 1xxe s GLU 90 N 2.96 4.07 -0.36 2.79 2.02 0.16 -1.77 118.70 128.57 1xxe s GLU 90 Ca 0.26 0.33 -0.12 0.00 0.02 0.00 0.00 54.97 55.47 1xxe s GLU 90 Cb -0.13 -3.65 0.01 0.00 0.10 0.00 0.00 34.13 30.45 1xxe s GLU 90 CO 0.19 -0.36 0.23 0.08 0.02 0.00 0.00 175.26 175.42 1xxe s VAL 91 N 2.32 4.91 -0.45 2.63 1.01 -0.68 -1.42 120.40 128.72 1xxe s VAL 91 Ca 0.21 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1xxe s VAL 91 Cb -0.16 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1xxe s VAL 91 CO 0.09 -0.14 0.67 -0.63 0.00 0.00 0.00 175.10 175.08 1xxe s ILE 92 N 1.63 4.80 -2.84 2.22 1.09 0.48 -4.69 121.20 123.89 1xxe s ILE 92 Ca 0.04 0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.71 1xxe s ILE 92 Cb -0.18 -4.23 0.00 0.00 -1.06 0.00 0.00 42.46 36.98 1xxe s ILE 92 CO 0.08 -0.64 0.00 0.61 -0.10 0.00 0.00 174.94 174.90 1xxe n GLY 93 N 5.04 0.78 0.00 6.18 0.00 -1.26 -2.00 105.19 113.94 1xxe n GLY 93 Ca -0.01 -2.06 0.01 0.00 0.00 0.00 0.00 46.02 43.96 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 0.13 2.78 -3.99 1.61 4.13 -1.26 -5.01 115.26 113.65 1xxe n ASN 94 Ca 0.00 -0.22 -0.15 0.00 1.68 0.00 0.00 54.58 55.89 1xxe n ASN 94 Cb 0.00 1.05 -0.14 0.00 -1.54 0.00 0.00 39.78 39.15 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 -1.73 0.48 0.06 3.52 2.12 -1.26 -1.91 118.70 119.98 1xxe s GLU 95 Ca -0.00 -0.35 -0.31 0.00 0.36 0.00 0.00 54.97 54.67 1xxe s GLU 95 Cb 0.01 -0.42 -0.07 0.00 0.26 0.00 0.00 34.13 33.91 1xxe s GLU 95 CO 0.07 0.11 1.49 0.42 -0.54 0.00 0.00 175.26 176.81 1xxe s ILE 96 N -0.45 3.31 -0.02 -3.70 -1.09 -0.81 -4.64 121.20 113.80 1xxe s ILE 96 Ca -0.01 0.82 -0.38 0.00 -2.23 0.00 0.00 60.65 58.84 1xxe s ILE 96 Cb -0.04 -3.52 -0.17 0.00 -1.58 0.00 0.00 42.46 37.14 1xxe s ILE 96 CO -0.00 0.02 1.37 -2.65 -1.23 0.00 0.00 174.94 172.45 1xxe n PRO 97 N 4.97 0.89 0.16 2.79 -0.02 -1.26 -4.54 135.00 137.98 1xxe n PRO 97 Ca 0.14 0.32 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 1xxe n PRO 97 Cb 0.42 -1.94 0.16 0.00 -0.02 0.00 0.00 33.50 32.12 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 3.68 0.92 0.00 4.25 6.09 -1.51 -3.48 117.51 127.46 1xxe h ILE 98 Ca -0.48 -1.99 0.00 0.00 -1.37 0.00 0.00 64.86 61.03 1xxe h ILE 98 Cb 1.35 2.23 0.00 0.00 0.47 0.00 0.00 36.82 40.87 1xxe h ILE 98 CO 0.80 0.47 0.00 0.18 -3.07 0.00 0.00 178.15 176.52 1xxe n LEU 99 N -3.36 0.00 -0.13 2.19 4.77 -1.26 -0.46 117.00 118.74 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 0.65 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.86 1xxe n LEU 99 CO 0.39 0.00 0.31 -0.67 -1.33 0.00 0.00 177.39 176.09 1xxe n ASP 100 N 8.09 1.02 0.00 -1.43 2.03 -1.26 -4.52 116.55 120.48 1xxe n ASP 100 Ca 0.00 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1xxe n ASP 100 Cb 0.00 0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 1.46 1.21 0.77 0.27 0.00 0.39 -4.36 105.19 104.92 1xxe n GLY 101 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 1.35 -0.06 1.61 3.41 -1.26 -2.01 113.62 116.66 1xxe n SER 102 Ca 0.00 -1.38 0.03 0.00 -0.26 0.00 0.00 58.87 57.25 1xxe n SER 102 Cb 0.00 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 3.66 0.17 0.37 5.00 0.00 -0.75 -4.64 105.19 109.01 1xxe n GLY 103 Ca -0.00 -0.16 0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 0.28 0.83 0.17 1.61 2.91 -1.75 0.19 115.95 120.19 1xxe h TRP 104 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1xxe h TRP 104 Cb 0.16 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1xxe h TRP 104 CO 0.00 -0.06 -0.08 0.93 -1.03 0.00 0.00 178.44 178.20 1xxe h GLU 105 N 0.38 -0.22 -0.50 2.65 3.07 -1.89 0.67 114.58 118.74 1xxe h GLU 105 Ca 0.69 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.53 1xxe h GLU 105 Cb 1.64 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.57 1xxe h GLU 105 CO -0.47 -0.07 0.19 0.74 -1.40 0.00 0.00 179.01 178.00 1xxe h PHE 106 N -0.32 0.76 -0.92 4.33 0.04 -1.29 -0.69 116.94 118.86 1xxe h PHE 106 Ca -0.02 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 1xxe h PHE 106 Cb 0.25 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 1xxe h PHE 106 CO -0.04 0.64 0.55 -0.92 -0.60 0.00 0.00 178.31 177.94 1xxe h TYR 107 N 0.66 1.21 -0.07 -0.55 3.20 -0.51 0.76 116.97 121.68 1xxe h TYR 107 Ca 0.16 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1xxe h TYR 107 Cb 0.21 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1xxe h TYR 107 CO 0.01 0.81 -0.23 0.93 -1.64 0.00 0.00 178.16 178.03 1xxe h GLU 108 N 1.27 0.29 0.03 1.82 4.39 0.76 -2.27 114.58 120.85 1xxe h GLU 108 Ca 0.33 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1xxe h GLU 108 Cb -0.05 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1xxe h GLU 108 CO -0.06 0.84 -0.01 0.00 -1.16 0.00 0.00 179.01 178.61 1xxe h ALA 109 N 0.45 -0.03 -0.67 3.43 0.00 -1.05 -3.21 119.26 118.17 1xxe h ALA 109 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1xxe h ALA 109 Cb 0.86 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1xxe h ALA 109 CO 0.05 -0.12 0.37 0.82 0.00 0.00 0.00 179.25 180.37 1xxe h ILE 110 N -0.84 1.21 -0.23 0.00 2.04 -1.00 -1.94 117.51 116.75 1xxe h ILE 110 Ca -0.00 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.40 1xxe h ILE 110 Cb 0.73 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1xxe h ILE 110 CO 0.01 0.23 0.19 -0.09 0.00 0.00 0.00 178.15 178.48 1xxe h ARG 111 N 0.91 0.00 0.00 2.37 2.43 -1.52 0.22 114.38 118.80 1xxe h ARG 111 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1xxe h ARG 111 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1xxe h ARG 111 CO -0.04 0.00 -0.01 1.17 -1.51 0.00 0.00 179.97 179.58 1xxe n LYS 112 N -4.25 0.11 -1.43 0.20 4.81 -0.74 -3.69 118.16 113.18 1xxe n LYS 112 Ca 0.03 0.09 -0.07 0.00 -0.87 0.00 0.00 58.31 57.49 1xxe n LYS 112 Cb 0.33 -1.63 0.10 0.00 0.02 0.00 0.00 35.03 33.86 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 -1.83 2.97 -4.83 3.14 3.02 0.75 -5.04 115.26 113.44 1xxe n ASN 113 Ca 0.06 -3.55 -0.34 0.00 -0.03 0.00 0.00 54.58 50.72 1xxe n ASN 113 Cb 0.38 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 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 -3.59 4.64 0.03 2.41 1.01 -1.04 0.31 121.20 124.97 1xxe s ILE 114 Ca 0.42 1.10 0.04 0.00 0.00 0.00 0.00 60.65 62.21 1xxe s ILE 114 Cb 0.38 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1xxe s ILE 114 CO -0.03 0.02 -0.11 -0.22 0.00 0.00 0.00 174.94 174.60 1xxe s LEU 115 N -2.46 2.16 0.13 2.97 2.96 0.49 -4.41 118.68 120.51 1xxe s LEU 115 Ca 0.48 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 1xxe s LEU 115 Cb -0.13 -0.46 -0.06 0.00 0.50 0.00 0.00 46.19 46.03 1xxe s LEU 115 CO 0.19 -0.01 0.46 0.21 -1.32 0.00 0.00 176.35 175.89 1xxe s ASN 116 N -1.04 6.68 0.00 3.68 2.47 -1.26 -0.05 114.94 125.42 1xxe s ASN 116 Ca -0.01 0.87 0.00 0.00 0.42 0.00 0.00 52.86 54.15 1xxe s ASN 116 Cb -0.07 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.52 1xxe s ASN 116 CO 0.01 0.11 0.00 0.00 -3.72 0.00 0.00 177.10 173.49 1xxe n GLN 117 N 0.65 1.80 -3.41 0.43 6.02 -0.02 -4.81 117.38 118.04 1xxe n GLN 117 Ca -0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.66 1xxe n GLN 117 Cb 0.52 0.00 -0.08 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 -1.74 3.82 -3.45 1.08 2.04 -1.26 -4.64 115.26 111.11 1xxe n ASN 118 Ca 0.00 -3.45 0.01 0.00 -0.44 0.00 0.00 54.58 50.70 1xxe n ASN 118 Cb 0.00 -0.68 -0.05 0.00 -2.53 0.00 0.00 39.78 36.53 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1xxe s ARG 119 N -2.50 0.30 0.27 -3.83 3.52 -1.26 -4.97 118.95 110.48 1xxe s ARG 119 Ca 0.40 0.69 -0.31 0.00 -0.13 0.00 0.00 55.73 56.38 1xxe s ARG 119 Cb 0.15 0.36 -0.12 0.00 -1.56 0.00 0.00 34.95 33.77 1xxe s ARG 119 CO -0.01 -0.09 1.54 -1.91 -0.81 0.00 0.00 175.30 174.01 1xxe n GLU 120 N 4.70 2.46 -2.55 5.12 4.07 -1.26 0.17 120.64 133.35 1xxe n GLU 120 Ca -0.11 0.88 -0.38 0.00 -0.06 0.00 0.00 57.16 57.49 1xxe n GLU 120 Cb 0.54 -2.62 -0.04 0.00 -0.06 0.00 0.00 31.44 29.25 1xxe n GLU 120 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1xxe s ILE 121 N 0.04 3.69 -0.97 6.31 1.01 -1.26 -4.64 121.20 125.38 1xxe s ILE 121 Ca 0.66 1.46 -0.20 0.00 0.00 0.00 0.00 60.65 62.57 1xxe s ILE 121 Cb -0.55 -3.84 0.11 0.00 0.01 0.00 0.00 42.46 38.18 1xxe s ILE 121 CO 0.48 0.17 1.24 -0.62 0.00 0.00 0.00 174.94 176.22 1xxe s ASP 122 N -1.30 6.60 0.53 3.58 -1.08 -1.26 -4.93 116.67 118.81 1xxe s ASP 122 Ca 0.51 -1.88 -0.21 0.00 -0.52 0.00 0.00 52.55 50.45 1xxe s ASP 122 Cb -0.26 -2.45 -0.05 0.00 -1.46 0.00 0.00 42.92 38.70 1xxe s ASP 122 CO 0.32 -1.20 1.28 -0.31 0.52 0.00 0.00 175.17 175.79 1xxe s TYR 123 N 3.40 2.45 -0.22 -5.34 1.51 -1.26 -4.66 117.35 113.23 1xxe s TYR 123 Ca 0.37 1.44 -0.07 0.00 -1.01 0.00 0.00 57.07 57.80 1xxe s TYR 123 Cb -0.03 -3.64 -0.04 0.00 -0.11 0.00 0.00 41.96 38.14 1xxe s TYR 123 CO -0.09 -2.44 0.07 0.12 -1.11 0.00 0.00 175.55 172.10 1xxe s PHE 124 N -1.41 3.16 0.01 2.71 2.19 0.12 -4.98 117.98 119.79 1xxe s PHE 124 Ca 0.71 -0.15 0.05 0.00 0.33 0.00 0.00 56.93 57.87 1xxe s PHE 124 Cb -0.36 -2.16 -0.02 0.00 -1.31 0.00 0.00 43.02 39.18 1xxe s PHE 124 CO 0.42 -0.09 -0.16 0.08 1.83 0.00 0.00 175.22 177.30 1xxe s VAL 125 N 0.99 1.24 0.17 3.12 1.01 -1.26 0.13 120.40 125.80 1xxe s VAL 125 Ca 0.04 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1xxe s VAL 125 Cb -0.14 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 1xxe s VAL 125 CO 0.03 0.21 0.79 -0.69 0.00 0.00 0.00 175.10 175.45 1xxe s VAL 126 N -0.58 4.34 -0.05 2.92 1.01 -0.78 -4.94 120.40 122.32 1xxe s VAL 126 Ca 0.05 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.79 1xxe s VAL 126 Cb -0.07 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1xxe s VAL 126 CO 0.00 0.52 0.05 -0.62 0.00 0.00 0.00 175.10 175.05 1xxe n GLU 127 N 1.61 5.92 -3.88 2.72 1.02 -1.26 -4.33 120.64 122.44 1xxe n GLU 127 Ca -0.05 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 1xxe n GLU 127 Cb 0.48 -0.61 -0.12 0.00 -0.02 0.00 0.00 31.44 31.18 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 -1.21 0.26 0.72 3.49 -1.05 -1.26 -4.84 118.70 114.80 1xxe s GLU 128 Ca 0.00 -0.18 -0.11 0.00 -0.15 0.00 0.00 54.97 54.53 1xxe s GLU 128 Cb 0.01 0.11 0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1xxe s GLU 128 CO 0.05 -0.05 1.07 -1.25 0.95 0.00 0.00 175.26 176.03 1xxe s PRO 129 N -0.68 2.71 -0.17 -4.83 0.04 -1.26 -4.62 135.00 126.20 1xxe s PRO 129 Ca -0.08 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 61.79 1xxe s PRO 129 Cb -0.05 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1xxe s PRO 129 CO 0.00 -1.27 0.47 -1.50 0.04 0.00 0.00 177.00 174.74 1xxe s ILE 130 N -3.01 0.00 -0.09 0.56 2.07 -0.88 -4.97 121.20 114.88 1xxe s ILE 130 Ca 0.59 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 1xxe s ILE 130 Cb -0.15 -0.67 0.02 0.00 0.13 0.00 0.00 42.46 41.79 1xxe s ILE 130 CO 0.55 -0.01 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.85 1xxe s ILE 131 N 0.13 0.99 -0.18 2.00 1.01 -1.26 -1.09 121.20 122.78 1xxe s ILE 131 Ca -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1xxe s ILE 131 Cb -0.03 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.50 1xxe s ILE 131 CO 0.01 0.34 -0.15 0.68 0.00 0.00 0.00 174.94 175.82 1xxe s VAL 132 N 1.28 1.83 0.19 2.92 -7.23 -0.88 -4.99 120.40 113.52 1xxe s VAL 132 Ca -0.03 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 1xxe s VAL 132 Cb -0.14 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 1xxe s VAL 132 CO -0.03 0.37 0.32 -0.70 -0.31 0.00 0.00 175.10 174.75 1xxe s GLU 133 N 1.35 3.44 -0.30 4.82 -6.30 -1.26 -1.65 118.70 118.80 1xxe s GLU 133 Ca 0.02 -0.65 -0.06 0.00 -2.50 0.00 0.00 54.97 51.78 1xxe s GLU 133 Cb -0.14 -2.93 0.18 0.00 0.00 0.00 0.00 34.13 31.24 1xxe s GLU 133 CO -0.10 0.48 0.80 0.34 0.02 0.00 0.00 175.26 176.80 1xxe s ASP 134 N -3.52 -0.97 -1.50 -1.70 2.15 0.69 -4.92 116.67 106.90 1xxe s ASP 134 Ca 0.34 0.63 -0.04 0.00 0.43 0.00 0.00 52.55 53.92 1xxe s ASP 134 Cb -0.10 1.83 0.00 0.00 -0.30 0.00 0.00 42.92 44.35 1xxe s ASP 134 CO 0.29 -0.18 0.13 -0.62 -0.17 0.00 0.00 175.17 174.61 1xxe n GLU 135 N 5.44 -1.14 -1.00 4.34 -0.58 -1.26 0.14 120.64 126.59 1xxe n GLU 135 Ca -0.04 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1xxe n GLU 135 Cb 0.52 -3.58 0.00 0.00 -0.57 0.00 0.00 31.44 27.81 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 -2.46 0.65 3.29 0.62 0.00 -1.26 -5.01 105.19 101.01 1xxe n GLY 136 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.01 2.94 0.09 1.61 0.52 0.37 -4.81 118.95 119.66 1xxe s ARG 137 Ca 0.00 -0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 1xxe s ARG 137 Cb 0.00 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 1xxe s ARG 137 CO 0.00 0.28 0.13 -1.17 0.02 0.00 0.00 175.30 174.56 1xxe s LEU 138 N 0.12 1.69 -0.08 2.53 0.20 -1.04 0.25 118.68 122.35 1xxe s LEU 138 Ca -0.10 -0.80 -0.04 0.00 0.69 0.00 0.00 54.13 53.88 1xxe s LEU 138 Cb -0.16 0.78 0.04 0.00 -0.43 0.00 0.00 46.19 46.42 1xxe s LEU 138 CO 0.06 -0.71 0.18 -0.63 -0.29 0.00 0.00 176.35 174.96 1xxe s ILE 139 N -3.90 -0.06 -0.00 6.68 1.01 -0.66 -1.45 121.20 122.82 1xxe s ILE 139 Ca 0.08 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.96 1xxe s ILE 139 Cb 0.06 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1xxe s ILE 139 CO -0.09 0.07 -0.18 -0.75 0.00 0.00 0.00 174.94 173.99 1xxe s LYS 140 N 1.25 2.24 0.03 2.79 2.20 -0.23 -2.08 119.74 125.94 1xxe s LYS 140 Ca -0.09 -0.86 0.07 0.00 -0.36 0.00 0.00 55.97 54.73 1xxe s LYS 140 Cb -0.11 -2.24 -0.02 0.00 -1.51 0.00 0.00 37.83 33.95 1xxe s LYS 140 CO -0.07 0.58 -0.21 0.00 -0.36 0.00 0.00 175.35 175.28 1xxe s ALA 141 N -0.80 1.81 -0.03 3.13 0.00 -0.25 -0.49 121.76 125.12 1xxe s ALA 141 Ca 0.13 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1xxe s ALA 141 Cb -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1xxe s ALA 141 CO 0.02 0.42 0.08 -2.00 0.00 0.00 0.00 175.76 174.28 1xxe s GLU 142 N -1.03 0.08 0.51 0.00 2.12 0.48 -2.08 118.70 118.77 1xxe s GLU 142 Ca 0.08 0.12 -0.22 0.00 0.36 0.00 0.00 54.97 55.31 1xxe s GLU 142 Cb -0.09 0.01 -0.08 0.00 0.26 0.00 0.00 34.13 34.24 1xxe s GLU 142 CO 0.01 -0.03 1.06 -0.35 -0.54 0.00 0.00 175.26 175.41 1xxe n PRO 143 N 3.17 1.29 -3.55 4.30 -0.04 -1.26 0.23 135.00 139.14 1xxe n PRO 143 Ca -0.14 0.47 -0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1xxe n PRO 143 Cb 0.59 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 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 -0.45 0.00 3.54 0.15 -1.26 -4.39 113.70 110.37 1xxe s SER 144 Ca 0.68 0.40 0.30 0.00 0.70 0.00 0.00 55.95 58.03 1xxe s SER 144 Cb -0.48 0.38 1.40 0.00 -1.71 0.00 0.00 66.02 65.61 1xxe s SER 144 CO 0.52 -0.47 1.94 -0.67 1.20 0.00 0.00 173.24 175.77 1xxe n ASP 145 N 0.58 0.69 -4.06 5.45 2.03 -1.26 -3.63 116.55 116.35 1xxe n ASP 145 Ca -0.12 -1.08 -0.16 0.00 0.52 0.00 0.00 54.79 53.95 1xxe n ASP 145 Cb 0.59 -0.02 -0.13 0.00 -0.72 0.00 0.00 41.12 40.84 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1xxe s THR 146 N -2.13 0.69 -0.23 5.18 -4.23 -1.26 -4.92 115.64 108.74 1xxe s THR 146 Ca 0.39 -0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 59.77 1xxe s THR 146 Cb 0.21 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.38 1xxe s THR 146 CO 0.39 -0.14 0.98 -0.22 -0.54 0.00 0.00 174.62 175.08 1xxe s LEU 147 N -1.09 4.10 -0.01 4.79 2.96 -1.26 -3.16 118.68 125.01 1xxe s LEU 147 Ca -0.03 1.28 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 1xxe s LEU 147 Cb -0.07 -3.44 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1xxe s LEU 147 CO 0.01 -0.62 -0.02 -0.70 -1.32 0.00 0.00 176.35 173.70 1xxe s GLU 148 N 3.06 0.23 -0.08 1.98 2.12 -0.65 -3.03 118.70 122.33 1xxe s GLU 148 Ca 0.41 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.67 1xxe s GLU 148 Cb -0.15 -0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.01 1xxe s GLU 148 CO 0.07 0.02 0.03 0.08 -0.54 0.00 0.00 175.26 174.91 1xxe s VAL 149 N 0.16 0.20 -0.02 3.70 1.01 -0.88 -0.24 120.40 124.31 1xxe s VAL 149 Ca -0.01 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1xxe s VAL 149 Cb -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1xxe s VAL 149 CO -0.00 0.16 0.04 -0.89 0.00 0.00 0.00 175.10 174.41 1xxe s THR 150 N 2.04 4.46 -0.05 3.92 2.01 0.21 -1.45 115.64 126.78 1xxe s THR 150 Ca 0.04 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1xxe s THR 150 Cb -0.13 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.41 1xxe s THR 150 CO -0.05 0.42 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.75 1xxe s TYR 151 N -1.09 1.02 -0.34 4.92 5.04 -0.92 0.41 117.35 126.40 1xxe s TYR 151 Ca 0.19 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.48 1xxe s TYR 151 Cb -0.12 -0.80 0.07 0.00 0.35 0.00 0.00 41.96 41.46 1xxe s TYR 151 CO 0.10 -0.20 0.08 -2.00 -1.34 0.00 0.00 175.55 172.19 1xxe s GLU 152 N 0.69 2.25 0.20 4.97 2.12 0.93 -1.95 118.70 127.92 1xxe s GLU 152 Ca -0.11 -1.48 0.01 0.00 0.36 0.00 0.00 54.97 53.74 1xxe s GLU 152 Cb -0.14 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1xxe s GLU 152 CO 0.02 -0.80 0.37 0.20 -0.54 0.00 0.00 175.26 174.51 1xxe s GLY 153 N 1.45 1.69 -0.33 -1.50 0.00 -0.06 -1.20 107.32 107.37 1xxe s GLY 153 Ca 0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1xxe s GLY 153 CO -0.02 -0.89 0.13 1.85 0.00 0.00 0.00 173.10 174.16 1xxe s GLU 154 N -3.43 0.74 0.04 2.90 2.12 -1.26 -2.00 118.70 117.80 1xxe s GLU 154 Ca 0.37 -1.17 -0.00 0.00 0.36 0.00 0.00 54.97 54.53 1xxe s GLU 154 Cb -0.11 -1.92 -0.04 0.00 0.26 0.00 0.00 34.13 32.32 1xxe s GLU 154 CO 0.29 -1.03 0.17 -0.06 -0.54 0.00 0.00 175.26 174.09 1xxe s PHE 155 N 1.45 3.45 -1.66 5.30 0.08 0.43 -4.97 117.98 122.05 1xxe s PHE 155 Ca 0.11 0.24 0.25 0.00 0.12 0.00 0.00 56.93 57.65 1xxe s PHE 155 Cb -0.18 -1.75 0.48 0.00 -0.57 0.00 0.00 43.02 40.99 1xxe s PHE 155 CO -0.21 0.59 1.39 1.63 -0.10 0.00 0.00 175.22 178.52 1xxe n LYS 156 N 0.57 0.75 -0.54 0.44 4.76 -1.26 -2.77 118.16 120.11 1xxe n LYS 156 Ca -0.08 -0.51 -0.11 0.00 -2.87 0.00 0.00 58.31 54.74 1xxe n LYS 156 Cb 0.52 -1.49 0.09 0.00 -1.84 0.00 0.00 35.03 32.30 1xxe n LYS 156 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xxe n ASN 157 N -0.68 -0.76 0.24 4.39 0.23 -1.26 -4.71 115.26 112.70 1xxe n ASN 157 Ca 0.10 -0.94 0.11 0.00 -0.53 0.00 0.00 54.58 53.32 1xxe n ASN 157 Cb 0.37 -0.38 0.59 0.00 -2.08 0.00 0.00 39.78 38.28 1xxe n ASN 157 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 1xxe h PHE 158 N -1.66 0.00 -0.00 -2.53 -0.00 -1.56 -0.94 116.94 110.26 1xxe h PHE 158 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.81 1xxe h PHE 158 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.41 1xxe h PHE 158 CO 0.00 0.00 -0.00 -0.07 -0.00 0.00 0.00 178.31 178.24 1xxe h LEU 159 N 0.00 0.00 0.00 2.10 3.38 -1.87 -3.48 115.31 115.45 1xxe h LEU 159 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1xxe h LEU 159 Cb 0.55 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xxe h LEU 159 CO 0.00 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1xxe n GLY 160 N -0.13 1.79 3.39 0.83 0.00 -0.36 -4.77 105.19 105.94 1xxe n GLY 160 Ca -0.08 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 2.35 0.04 1.61 0.52 -1.26 0.16 118.95 122.37 1xxe s ARG 161 Ca 0.00 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.37 1xxe s ARG 161 Cb 0.00 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 1xxe s ARG 161 CO 0.00 0.58 0.05 -0.65 0.02 0.00 0.00 175.30 175.29 1xxe s GLN 162 N -0.63 0.56 -0.03 3.54 1.11 -0.85 -4.97 119.66 118.40 1xxe s GLN 162 Ca 0.10 -0.86 -0.04 0.00 0.01 0.00 0.00 55.36 54.57 1xxe s GLN 162 Cb -0.11 0.21 0.01 0.00 -1.01 0.00 0.00 33.01 32.11 1xxe s GLN 162 CO 0.00 -0.13 0.09 0.15 0.01 0.00 0.00 175.29 175.41 1xxe s LYS 163 N -2.82 0.18 -0.05 2.91 1.02 -1.26 -0.88 119.74 118.83 1xxe s LYS 163 Ca -0.03 -0.00 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 1xxe s LYS 163 Cb 0.00 0.08 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 1xxe s LYS 163 CO -0.06 -0.03 -0.01 0.12 -0.92 0.00 0.00 175.35 174.46 1xxe s PHE 164 N -0.27 0.52 -0.24 3.18 2.19 -0.82 -5.00 117.98 117.54 1xxe s PHE 164 Ca -0.03 -0.09 -0.08 0.00 0.33 0.00 0.00 56.93 57.06 1xxe s PHE 164 Cb -0.02 -0.61 -0.04 0.00 -1.31 0.00 0.00 43.02 41.04 1xxe s PHE 164 CO 0.00 -0.22 0.10 0.99 1.83 0.00 0.00 175.22 177.93 1xxe s THR 165 N 1.40 4.75 -0.14 0.12 2.01 -1.26 -2.16 115.64 120.35 1xxe s THR 165 Ca -0.04 -0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 1xxe s THR 165 Cb -0.13 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1xxe s THR 165 CO -0.03 0.35 0.14 0.12 -0.69 0.00 0.00 174.62 174.51 1xxe s PHE 166 N 1.29 3.54 0.10 4.92 5.36 -0.53 -4.98 117.98 127.68 1xxe s PHE 166 Ca 0.06 0.47 0.04 0.00 -0.96 0.00 0.00 56.93 56.53 1xxe s PHE 166 Cb -0.15 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 1xxe s PHE 166 CO 0.05 0.60 -0.10 0.08 -1.46 0.00 0.00 175.22 174.39 1xxe s VAL 167 N -0.61 0.96 -0.01 3.12 1.01 -1.26 -2.08 120.40 121.54 1xxe s VAL 167 Ca 0.13 -1.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 1xxe s VAL 167 Cb -0.12 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 1xxe s VAL 167 CO 0.02 -0.59 1.99 -0.62 0.00 0.00 0.00 175.10 175.90 1xxe n GLU 168 N 0.44 2.69 0.00 2.72 1.02 -1.17 -1.83 120.64 124.51 1xxe n GLU 168 Ca -0.15 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1xxe n GLU 168 Cb 0.58 -2.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 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 4.68 0.96 1.10 0.62 0.00 -1.26 -4.96 105.19 106.34 1xxe n GLY 169 Ca 0.22 0.00 0.05 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 1.30 0.04 1.61 4.13 -0.76 -4.83 115.26 116.75 1xxe n ASN 170 Ca 0.00 -2.81 0.01 0.00 1.68 0.00 0.00 54.58 53.45 1xxe n ASN 170 Cb 0.00 -0.40 0.33 0.00 -1.54 0.00 0.00 39.78 38.18 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 0.98 0.42 0.00 3.52 5.08 -1.93 -2.45 114.58 120.20 1xxe h GLU 171 Ca -0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1xxe h GLU 171 Cb 1.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1xxe h GLU 171 CO 0.06 0.48 0.24 0.39 -1.00 0.00 0.00 179.01 179.18 1xxe n GLU 172 N -4.28 0.06 0.00 2.33 1.02 -1.26 0.16 120.64 118.67 1xxe n GLU 172 Ca 0.01 0.49 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 1xxe n GLU 172 Cb 0.25 -1.94 0.18 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.81 1.21 0.00 3.49 -0.58 -0.92 -4.24 120.64 117.78 1xxe n GLU 173 Ca -0.01 -0.90 0.01 0.00 -0.42 0.00 0.00 57.16 55.84 1xxe n GLU 173 Cb 0.25 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 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 -0.11 0.00 -0.00 -3.67 -5.35 0.12 -4.52 119.36 105.83 1xxe n ILE 174 Ca 0.11 -0.46 -0.13 0.00 -0.27 0.00 0.00 62.75 62.01 1xxe n ILE 174 Cb 0.43 1.01 -0.14 0.00 -1.74 0.00 0.00 39.64 39.20 1xxe n ILE 174 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 1xxe h VAL 175 N 0.08 0.84 -0.05 7.28 -1.51 -1.68 -3.34 116.25 117.88 1xxe h VAL 175 Ca 0.00 -2.64 0.00 0.00 -1.23 0.00 0.00 66.70 62.83 1xxe h VAL 175 Cb 0.06 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1xxe h VAL 175 CO 0.00 0.64 0.00 0.18 -1.23 0.00 0.00 177.57 177.16 1xxe n LEU 176 N -3.21 1.24 -4.64 4.19 4.77 -1.26 -1.80 117.00 116.29 1xxe n LEU 176 Ca -0.20 -0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 54.90 1xxe n LEU 176 Cb 1.05 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 42.09 1xxe n LEU 176 CO 0.45 0.22 0.96 0.00 -1.33 0.00 0.00 177.39 177.69 1xxe s ALA 177 N -1.95 3.52 0.31 -1.18 0.00 -1.25 -4.89 121.76 116.32 1xxe s ALA 177 Ca 0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 1xxe s ALA 177 Cb 0.20 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1xxe s ALA 177 CO 0.32 -1.43 0.63 1.03 0.00 0.00 0.00 175.76 176.31 1xxe s ARG 178 N 3.60 3.75 0.57 0.00 0.52 -1.26 -4.52 118.95 121.61 1xxe s ARG 178 Ca 0.46 0.26 -0.21 0.00 -0.52 0.00 0.00 55.73 55.72 1xxe s ARG 178 Cb -0.13 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1xxe s ARG 178 CO 0.14 0.15 1.31 -0.08 0.02 0.00 0.00 175.30 176.84 1xxe s THR 179 N -2.10 2.24 0.38 0.02 -1.32 -0.85 -4.77 115.64 109.23 1xxe s THR 179 Ca 0.48 0.17 0.04 0.00 -1.21 0.00 0.00 61.69 61.16 1xxe s THR 179 Cb -0.11 -3.08 -0.03 0.00 -1.51 0.00 0.00 72.50 67.77 1xxe s THR 179 CO 0.27 -0.01 0.12 0.72 -2.21 0.00 0.00 174.62 173.51 1xxe s PHE 180 N -1.38 1.79 0.18 9.09 -0.71 -1.26 -2.27 117.98 123.41 1xxe s PHE 180 Ca 0.74 -1.24 -0.23 0.00 -1.04 0.00 0.00 56.93 55.16 1xxe s PHE 180 Cb -0.37 -1.15 0.06 0.00 -1.21 0.00 0.00 43.02 40.35 1xxe s PHE 180 CO 0.43 -0.27 0.67 0.00 -1.34 0.00 0.00 175.22 174.71 1xxe s PHE 182 N -3.72 3.26 0.56 0.00 0.08 -1.26 -0.04 117.98 116.85 1xxe s PHE 182 Ca 0.04 0.18 0.37 0.00 0.12 0.00 0.00 56.93 57.64 1xxe s PHE 182 Cb -0.02 -1.71 2.04 0.00 -0.57 0.00 0.00 43.02 42.75 1xxe s PHE 182 CO -0.07 0.54 2.27 0.38 -0.10 0.00 0.00 175.22 178.24 1xxe h ASP 183 N 3.94 0.00 1.09 1.36 2.03 -1.82 -0.94 116.42 122.07 1xxe h ASP 183 Ca -0.49 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.63 1xxe h ASP 183 Cb 1.18 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.65 1xxe h ASP 183 CO 0.63 0.02 -0.93 4.11 -1.03 0.00 0.00 179.24 182.04 1xxe h TRP 184 N 0.00 0.00 0.00 4.15 0.09 -1.94 -3.29 115.95 114.96 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.34 1xxe h TRP 184 CO 0.00 0.84 -1.08 -0.85 0.09 0.00 0.00 178.44 177.44 1xxe n GLU 185 N -3.27 0.27 0.16 0.12 0.28 -0.79 -4.33 120.64 113.07 1xxe n GLU 185 Ca -0.01 -0.02 -0.14 0.00 -0.16 0.00 0.00 57.16 56.83 1xxe n GLU 185 Cb 0.89 -1.57 -0.07 0.00 1.43 0.00 0.00 31.44 32.11 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 0.64 -0.20 3.84 2.04 -1.26 0.03 117.51 122.60 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 0.72 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1xxe h ILE 186 CO 0.00 0.00 -0.23 -0.33 0.00 0.00 0.00 178.15 177.59 1xxe h GLU 187 N -0.40 -0.24 -0.50 2.37 5.08 -1.76 0.32 114.58 119.46 1xxe h GLU 187 Ca -0.01 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1xxe h GLU 187 Cb 0.35 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 1xxe h GLU 187 CO -0.00 -0.16 0.05 0.45 -1.00 0.00 0.00 179.01 178.35 1xxe h HIS 188 N -0.25 0.07 -0.51 4.33 3.86 -1.71 0.72 115.15 121.66 1xxe h HIS 188 Ca 0.12 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1xxe h HIS 188 Cb 0.44 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1xxe h HIS 188 CO -0.36 -0.06 0.34 0.82 0.86 0.00 0.00 177.93 179.53 1xxe h ILE 189 N 0.17 1.04 0.00 2.45 2.04 0.64 -0.60 117.51 123.25 1xxe h ILE 189 Ca 0.25 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.78 1xxe h ILE 189 Cb 0.36 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1xxe h ILE 189 CO -0.37 0.10 -0.65 0.11 0.00 0.00 0.00 178.15 177.34 1xxe h LYS 190 N 0.56 0.00 0.00 2.37 1.57 0.34 -2.00 116.57 119.40 1xxe h LYS 190 Ca 0.21 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1xxe h LYS 190 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1xxe h LYS 190 CO -0.05 0.65 -0.51 0.87 -0.57 0.00 0.00 179.45 179.84 1xxe h LYS 191 N 0.00 0.00 -0.14 3.15 1.57 0.18 -2.84 116.57 118.49 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 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1xxe h LYS 191 CO 0.08 0.51 0.00 1.33 -0.57 0.00 0.00 179.45 180.80 1xxe n VAL 192 N -3.48 0.19 -1.39 0.50 0.24 -0.78 -4.85 118.33 108.76 1xxe n VAL 192 Ca 0.00 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.34 62.08 1xxe n VAL 192 Cb 0.62 0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 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 0.78 0.46 3.46 7.63 0.00 -1.07 -5.04 105.19 111.40 1xxe n GLY 193 Ca 0.07 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.55 2.54 0.00 0.99 1.43 -0.76 -4.72 118.68 117.62 1xxe s LEU 194 Ca 0.00 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 1xxe s LEU 194 Cb 0.00 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1xxe s LEU 194 CO 0.00 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1xxe n GLY 195 N -0.36 0.38 0.26 -3.19 0.00 -1.24 -3.51 105.19 97.52 1xxe n GLY 195 Ca -0.07 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.35 116.57 116.17 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1xxe h LYS 196 CO 0.00 0.10 -0.44 0.41 -0.57 0.00 0.00 179.45 178.95 1xxe n GLY 197 N -0.15 0.02 3.69 3.86 0.00 1.07 -4.65 105.19 109.03 1xxe n GLY 197 Ca -0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.33 1.52 0.15 -0.02 0.00 0.18 -4.61 107.32 102.21 1xxe s GLY 198 Ca 0.17 1.27 0.02 0.00 0.00 0.00 0.00 44.72 46.18 1xxe s GLY 198 CO 0.53 2.88 0.06 -1.14 0.00 0.00 0.00 173.10 175.43 1xxe n SER 199 N 5.31 0.98 -0.44 1.64 3.41 -1.26 -5.01 113.62 118.25 1xxe n SER 199 Ca 0.16 -1.83 0.13 0.00 -0.26 0.00 0.00 58.87 57.07 1xxe n SER 199 Cb 0.40 0.41 0.41 0.00 -0.26 0.00 0.00 64.21 65.17 1xxe n SER 199 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xxe n LEU 200 N 0.00 1.48 -0.61 1.04 4.77 -1.26 -2.03 117.00 120.38 1xxe n LEU 200 Ca -0.02 -0.47 0.11 0.00 -0.03 0.00 0.00 56.01 55.60 1xxe n LEU 200 Cb 0.23 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1xxe n LEU 200 CO 0.12 0.26 0.39 1.17 -1.33 0.00 0.00 177.39 178.00 1xxe n LYS 201 N -0.03 1.50 0.00 3.23 4.81 -1.26 -4.43 118.16 121.98 1xxe n LYS 201 Ca 0.16 -1.24 0.00 0.00 -0.87 0.00 0.00 58.31 56.36 1xxe n LYS 201 Cb 0.38 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 0.33 0.01 -3.97 3.14 5.03 -1.24 -4.68 115.26 113.88 1xxe n ASN 202 Ca 0.10 -0.24 -0.24 0.00 0.87 0.00 0.00 54.58 55.08 1xxe n ASN 202 Cb 0.50 0.03 -0.17 0.00 -1.02 0.00 0.00 39.78 39.12 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xxe s THR 203 N -0.03 0.97 -0.33 3.41 2.01 -0.86 -3.67 115.64 117.13 1xxe s THR 203 Ca 0.00 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.42 1xxe s THR 203 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1xxe s THR 203 CO 0.00 0.32 0.70 -0.22 -0.69 0.00 0.00 174.62 174.74 1xxe s LEU 204 N 0.88 4.16 -0.20 4.42 2.96 -0.96 -4.47 118.68 125.47 1xxe s LEU 204 Ca -0.11 0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 54.11 1xxe s LEU 204 Cb -0.15 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1xxe s LEU 204 CO 0.01 -0.60 0.09 -0.69 -1.32 0.00 0.00 176.35 173.84 1xxe s VAL 205 N 2.82 4.89 0.03 1.68 1.01 -1.26 0.21 120.40 129.78 1xxe s VAL 205 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1xxe s VAL 205 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1xxe s VAL 205 CO 0.14 0.42 0.11 -0.76 0.00 0.00 0.00 175.10 175.01 1xxe s LEU 206 N 0.64 3.99 0.09 3.92 1.43 0.94 -2.69 118.68 126.99 1xxe s LEU 206 Ca 0.05 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1xxe s LEU 206 Cb -0.13 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1xxe s LEU 206 CO 0.01 0.23 0.12 -0.83 0.23 0.00 0.00 176.35 176.11 1xxe s GLY 207 N -2.04 2.02 0.64 -3.19 0.00 0.36 -2.29 107.32 102.83 1xxe s GLY 207 Ca 0.27 -0.99 0.18 0.00 0.00 0.00 0.00 44.72 44.17 1xxe s GLY 207 CO 0.18 -0.98 1.42 1.70 0.00 0.00 0.00 173.10 175.42 1xxe h LYS 208 N 3.13 0.00 0.00 2.90 3.64 -1.98 -2.63 116.57 121.62 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 0.68 0.00 -0.03 -0.40 -2.27 0.00 0.00 179.45 177.43 1xxe n ASP 209 N -2.95 0.00 -3.85 4.20 5.75 -1.26 -1.60 116.55 116.84 1xxe n ASP 209 Ca 0.06 -1.07 -0.10 0.00 -0.01 0.00 0.00 54.79 53.68 1xxe n ASP 209 Cb 0.94 -0.01 -0.08 0.00 -1.03 0.00 0.00 41.12 40.93 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1xxe s LYS 210 N 0.00 0.71 -0.23 0.11 1.02 -0.99 -4.98 119.74 115.38 1xxe s LYS 210 Ca 0.00 -0.67 -0.12 0.00 0.02 0.00 0.00 55.97 55.20 1xxe s LYS 210 Cb 0.00 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.55 1xxe s LYS 210 CO 0.00 -0.21 0.21 0.08 -0.92 0.00 0.00 175.35 174.51 1xxe s VAL 211 N -2.73 5.33 -0.05 3.17 1.01 -1.26 0.14 120.40 126.01 1xxe s VAL 211 Ca -0.04 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1xxe s VAL 211 Cb -0.00 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.68 1xxe s VAL 211 CO -0.05 0.34 0.84 1.88 0.00 0.00 0.00 175.10 178.11 1xxe h TYR 212 N 7.41 -0.21 -1.95 5.22 -1.99 -1.86 -3.45 116.97 120.14 1xxe h TYR 212 Ca -0.38 -0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.70 1xxe h TYR 212 Cb 1.17 0.07 0.09 0.00 2.00 0.00 0.00 36.73 40.05 1xxe h TYR 212 CO 0.66 0.21 0.17 0.09 -0.00 0.00 0.00 178.16 179.30 1xxe n ASN 213 N -4.93 1.10 -0.06 3.88 4.13 -1.26 -4.87 115.26 113.25 1xxe n ASN 213 Ca -0.08 1.15 -0.15 0.00 1.68 0.00 0.00 54.58 57.18 1xxe n ASN 213 Cb 0.26 -1.20 -0.05 0.00 -1.54 0.00 0.00 39.78 37.24 1xxe n ASN 213 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1xxe h PRO 214 N 2.89 0.77 0.00 3.52 0.13 -1.95 -2.93 132.00 134.43 1xxe h PRO 214 Ca -0.41 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1xxe h PRO 214 Cb 1.35 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1xxe h PRO 214 CO 0.67 1.14 0.00 -1.91 -0.23 0.00 0.00 178.00 177.67 1xxe n GLU 215 N -4.09 0.24 0.00 0.86 2.13 -1.26 -4.94 120.64 113.58 1xxe n GLU 215 Ca -0.05 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1xxe n GLU 215 Cb 0.61 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.82 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 -0.50 -1.40 3.84 8.31 0.00 -1.11 -4.81 105.19 109.52 1xxe n GLY 216 Ca 0.06 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 4.03 -0.06 0.99 1.43 -1.26 -4.90 118.68 118.91 1xxe s LEU 217 Ca 0.00 1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 54.46 1xxe s LEU 217 Cb 0.00 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 1xxe s LEU 217 CO 0.00 -0.25 0.25 -0.09 0.23 0.00 0.00 176.35 176.49 1xxe h ARG 218 N 2.17 -0.19 -6.07 1.70 9.65 -1.99 -3.47 114.38 116.18 1xxe h ARG 218 Ca -0.48 0.01 -0.59 0.00 -1.10 0.00 0.00 59.98 57.82 1xxe h ARG 218 Cb 1.18 0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 29.68 1xxe h ARG 218 CO 0.64 -0.13 -0.66 0.71 2.80 0.00 0.00 179.97 183.33 1xxe s TYR 219 N -2.15 2.49 -0.40 2.20 2.02 -1.26 -5.00 117.35 115.25 1xxe s TYR 219 Ca -0.03 -0.39 0.23 0.00 -0.37 0.00 0.00 57.07 56.51 1xxe s TYR 219 Cb 0.00 -1.32 1.03 0.00 -0.40 0.00 0.00 41.96 41.27 1xxe s TYR 219 CO 0.09 0.57 1.69 0.39 -1.57 0.00 0.00 175.55 176.71 1xxe n GLU 220 N -0.85 0.17 -1.59 -0.62 1.02 -1.26 -2.55 120.64 114.96 1xxe n GLU 220 Ca -0.05 0.49 0.01 0.00 -0.02 0.00 0.00 57.16 57.59 1xxe n GLU 220 Cb 0.62 -1.89 0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1xxe n GLU 220 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xxe n ASN 221 N -2.23 1.62 -0.23 1.62 3.02 -1.26 -4.87 115.26 112.94 1xxe n ASN 221 Ca 0.01 -2.61 0.03 0.00 -0.03 0.00 0.00 54.58 51.98 1xxe n ASN 221 Cb 0.17 -0.39 0.28 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.41 0.92 -0.23 3.52 4.81 -1.88 0.19 114.58 123.32 1xxe h GLU 222 Ca -0.11 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1xxe h GLU 222 Cb 1.54 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 1xxe h GLU 222 CO 0.15 0.61 -0.32 -1.35 -0.73 0.00 0.00 179.01 177.36 1xxe h PRO 223 N 0.95 0.62 0.00 0.92 0.11 -1.86 -1.99 132.00 130.74 1xxe h PRO 223 Ca 0.31 -0.36 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 1xxe h PRO 223 Cb 0.06 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1xxe h PRO 223 CO -0.09 0.97 -0.55 -0.39 -0.21 0.00 0.00 178.00 177.73 1xxe h VAL 224 N 0.32 0.99 -0.54 3.15 -1.51 -1.90 -2.62 116.25 114.13 1xxe h VAL 224 Ca 0.02 -2.27 -0.10 0.00 -1.23 0.00 0.00 66.70 63.12 1xxe h VAL 224 Cb 0.91 2.40 -0.02 0.00 -2.13 0.00 0.00 31.29 32.45 1xxe h VAL 224 CO 0.08 0.54 -0.05 0.03 -1.23 0.00 0.00 177.57 176.94 1xxe h ARG 225 N 0.00 0.99 -0.61 5.19 3.08 -0.57 -1.60 114.38 120.86 1xxe h ARG 225 Ca -0.01 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.64 1xxe h ARG 225 Cb 1.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 1xxe h ARG 225 CO 0.07 1.02 0.13 1.25 -1.07 0.00 0.00 179.97 181.37 1xxe h HIS 226 N 0.87 1.05 -0.26 3.04 2.76 -1.27 -0.81 115.15 120.53 1xxe h HIS 226 Ca 0.15 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1xxe h HIS 226 Cb 0.60 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1xxe h HIS 226 CO 0.04 0.89 0.06 -0.22 -1.30 0.00 0.00 177.93 177.40 1xxe h LYS 227 N 0.91 0.16 -0.15 5.26 3.11 -1.07 -0.35 116.57 124.42 1xxe h LYS 227 Ca 0.19 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.04 1xxe h LYS 227 Cb 0.38 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.56 1xxe h LYS 227 CO 0.01 0.10 0.03 0.28 -2.81 0.00 0.00 179.45 177.06 1xxe h VAL 228 N 0.16 0.93 -1.00 2.00 2.07 -1.00 -0.66 116.25 118.75 1xxe h VAL 228 Ca 0.12 -0.03 0.23 0.00 0.82 0.00 0.00 66.70 67.84 1xxe h VAL 228 Cb 0.11 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 30.61 1xxe h VAL 228 CO -0.15 0.02 0.62 0.15 0.02 0.00 0.00 177.57 178.23 1xxe h PHE 229 N 0.09 0.87 -0.20 1.57 3.57 -0.40 0.95 116.94 123.40 1xxe h PHE 229 Ca 0.07 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.39 1xxe h PHE 229 Cb 0.06 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.55 1xxe h PHE 229 CO -0.13 0.13 -0.70 -0.44 -2.23 0.00 0.00 178.31 174.94 1xxe h ASP 230 N 0.57 0.97 -0.84 0.41 5.19 0.20 -2.52 116.42 120.39 1xxe h ASP 230 Ca 0.59 -0.59 0.09 0.00 -0.62 0.00 0.00 57.03 56.49 1xxe h ASP 230 Cb 1.19 -0.28 -0.06 0.00 0.18 0.00 0.00 39.33 40.36 1xxe h ASP 230 CO -0.35 1.40 0.55 0.25 -3.12 0.00 0.00 179.24 177.96 1xxe h LEU 231 N 0.60 0.76 -0.05 1.55 5.85 0.59 -0.89 115.31 123.71 1xxe h LEU 231 Ca -0.03 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1xxe h LEU 231 Cb 1.32 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1xxe h LEU 231 CO 0.15 0.46 -0.08 0.40 -0.34 0.00 0.00 178.44 179.03 1xxe h ILE 232 N 0.84 1.41 -1.07 4.05 2.04 -1.35 -1.93 117.51 121.50 1xxe h ILE 232 Ca 0.38 -1.34 0.29 0.00 1.00 0.00 0.00 64.86 65.19 1xxe h ILE 232 Cb 0.37 2.20 -0.07 0.00 -0.74 0.00 0.00 36.82 38.57 1xxe h ILE 232 CO -0.15 0.37 0.72 1.23 0.00 0.00 0.00 178.15 180.32 1xxe h GLY 233 N -0.36 0.74 1.77 5.37 0.00 -0.84 0.61 103.07 110.36 1xxe h GLY 233 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1xxe h GLY 233 CO 0.02 -0.09 -0.86 -0.55 0.00 0.00 0.00 176.54 175.06 1xxe h ASP 234 N 0.23 0.00 1.89 0.19 5.19 -0.97 -3.27 116.42 119.69 1xxe h ASP 234 Ca 0.57 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.96 1xxe h ASP 234 Cb 1.77 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.28 1xxe h ASP 234 CO -0.18 0.68 -0.11 -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 0.94 -3.05 115.31 118.13 1xxe h LEU 235 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xxe h LEU 235 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1xxe h LEU 235 CO 0.08 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1xxe n TYR 236 N -3.12 0.00 0.09 1.13 9.36 -0.08 -2.77 117.16 121.76 1xxe n TYR 236 Ca 0.04 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.46 1xxe n TYR 236 Cb 0.57 -0.42 0.75 0.00 -0.63 0.00 0.00 39.34 39.61 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 -2.83 2.98 3.38 -1.69 0.83 115.31 117.97 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 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xxe h LEU 237 CO 0.00 0.00 -0.00 -0.07 0.09 0.00 0.00 178.44 178.46 1xxe h LEU 238 N 0.00 0.00 0.00 1.67 3.38 -1.79 -3.31 115.31 115.26 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 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 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 -0.96 0.55 3.48 0.83 0.00 0.29 -5.03 105.19 104.35 1xxe n GLY 239 Ca -0.03 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.43 -0.60 0.05 1.61 1.04 -1.26 -4.89 113.70 107.23 1xxe s SER 240 Ca 0.00 0.66 -0.38 0.00 0.48 0.00 0.00 55.95 56.71 1xxe s SER 240 Cb 0.00 0.55 -0.18 0.00 0.10 0.00 0.00 66.02 66.49 1xxe s SER 240 CO 0.00 -0.57 1.21 -2.65 0.98 0.00 0.00 173.24 172.21 1xxe n PRO 241 N 1.05 0.60 -3.72 4.02 -0.02 -1.26 -4.61 135.00 131.07 1xxe n PRO 241 Ca -0.19 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 1xxe n PRO 241 Cb 0.57 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.23 5.40 -0.12 -1.45 1.01 -1.26 -0.70 120.40 123.51 1xxe s VAL 242 Ca 0.87 0.30 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1xxe s VAL 242 Cb -1.10 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 31.79 1xxe s VAL 242 CO 0.52 0.48 -0.20 -0.54 0.00 0.00 0.00 175.10 175.36 1xxe s LYS 243 N -0.06 2.74 0.00 2.72 -0.14 0.12 -4.65 119.74 120.47 1xxe s LYS 243 Ca 0.12 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 1xxe s LYS 243 Cb -0.12 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 1xxe s LYS 243 CO 0.02 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.01 1xxe n GLY 244 N 4.04 1.37 3.42 -3.33 0.00 -1.19 -1.87 105.19 107.64 1xxe n GLY 244 Ca -0.20 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.98 3.11 0.08 1.61 2.20 0.14 -1.63 119.74 123.26 1xxe s LYS 245 Ca 0.00 -0.89 0.07 0.00 -0.36 0.00 0.00 55.97 54.79 1xxe s LYS 245 Cb 0.00 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1xxe s LYS 245 CO 0.00 -0.56 -0.12 -0.06 -0.36 0.00 0.00 175.35 174.25 1xxe s PHE 246 N 1.61 2.71 0.03 4.03 0.40 0.67 -0.39 117.98 127.03 1xxe s PHE 246 Ca 0.04 -0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 1xxe s PHE 246 Cb -0.18 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 1xxe s PHE 246 CO 0.07 0.39 -0.14 -0.47 0.70 0.00 0.00 175.22 175.77 1xxe s TYR 247 N -1.14 1.26 -0.03 0.36 6.14 0.35 -0.62 117.35 123.67 1xxe s TYR 247 Ca 0.19 -0.32 -0.00 0.00 0.64 0.00 0.00 57.07 57.58 1xxe s TYR 247 Cb -0.11 -0.76 0.03 0.00 0.42 0.00 0.00 41.96 41.54 1xxe s TYR 247 CO 0.11 0.02 0.03 0.45 0.64 0.00 0.00 175.55 176.81 1xxe s SER 248 N -0.94 0.39 -0.28 4.32 0.15 0.17 -1.07 113.70 116.44 1xxe s SER 248 Ca 0.03 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 1xxe s SER 248 Cb -0.07 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1xxe s SER 248 CO 0.01 -0.15 0.01 0.12 1.20 0.00 0.00 173.24 174.43 1xxe s PHE 249 N 1.32 3.12 -1.27 3.44 2.19 -0.53 -0.05 117.98 126.20 1xxe s PHE 249 Ca -0.06 -1.29 -0.18 0.00 0.33 0.00 0.00 56.93 55.73 1xxe s PHE 249 Cb -0.13 -2.16 0.01 0.00 -1.31 0.00 0.00 43.02 39.43 1xxe s PHE 249 CO -0.03 -0.66 0.58 0.54 1.83 0.00 0.00 175.22 177.49 1xxe n ARG 250 N 4.76 -1.42 -3.28 10.12 1.74 -0.34 -2.50 116.66 125.74 1xxe n ARG 250 Ca -0.15 0.29 -0.31 0.00 -0.77 0.00 0.00 57.85 56.91 1xxe n ARG 250 Cb 0.47 -3.71 -0.05 0.00 -1.02 0.00 0.00 32.46 28.15 1xxe n ARG 250 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xxe s GLY 251 N -3.81 2.20 0.33 -0.13 0.00 -1.26 -4.37 107.32 100.28 1xxe s GLY 251 Ca 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1xxe s GLY 251 CO 0.91 -0.08 0.01 0.61 0.00 0.00 0.00 173.10 174.56 1xxe n GLY 252 N -0.42 3.76 0.11 0.20 0.00 -1.26 -5.02 105.19 102.56 1xxe n GLY 252 Ca 0.01 -2.31 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 1xxe n GLY 252 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xxe h HIS 253 N 1.15 -0.13 0.09 1.61 3.86 -1.95 -2.35 115.15 117.43 1xxe h HIS 253 Ca -0.27 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.96 1xxe h HIS 253 Cb 0.83 0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.30 1xxe h HIS 253 CO 0.00 0.34 -0.29 1.03 0.86 0.00 0.00 177.93 179.86 1xxe h SER 254 N -0.70 -0.85 -0.91 2.45 0.87 -1.87 -1.12 113.55 111.42 1xxe h SER 254 Ca -0.01 0.10 0.18 0.00 -1.23 0.00 0.00 61.79 60.82 1xxe h SER 254 Cb 0.53 0.33 -0.10 0.00 -0.44 0.00 0.00 62.40 62.71 1xxe h SER 254 CO 0.02 -0.38 0.49 0.25 -0.53 0.00 0.00 176.83 176.69 1xxe h LEU 255 N -0.50 0.59 0.28 2.23 5.85 -1.97 -0.69 115.31 121.10 1xxe h LEU 255 Ca 0.04 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xxe h LEU 255 Cb 0.54 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1xxe h LEU 255 CO -0.19 0.20 -0.23 0.78 -0.34 0.00 0.00 178.44 178.66 1xxe h ASN 256 N 0.63 -0.60 -0.86 1.25 2.35 -0.67 -1.93 115.58 115.76 1xxe h ASN 256 Ca 0.53 0.05 0.19 0.00 -0.55 0.00 0.00 56.30 56.52 1xxe h ASN 256 Cb 0.82 0.20 -0.12 0.00 0.05 0.00 0.00 38.32 39.28 1xxe h ASN 256 CO -0.40 -0.35 0.36 0.58 -1.65 0.00 0.00 177.43 175.97 1xxe h VAL 257 N -0.53 0.54 -0.51 2.81 2.07 -0.19 0.18 116.25 120.62 1xxe h VAL 257 Ca -0.02 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1xxe h VAL 257 Cb 0.47 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1xxe h VAL 257 CO -0.02 0.08 0.16 0.50 0.02 0.00 0.00 177.57 178.31 1xxe h LYS 258 N 0.42 0.32 -0.38 1.57 1.63 -0.58 0.74 116.57 120.29 1xxe h LYS 258 Ca 0.51 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.35 1xxe h LYS 258 Cb 0.91 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.42 1xxe h LYS 258 CO -0.49 0.21 0.09 1.25 -3.45 0.00 0.00 179.45 177.06 1xxe h LEU 259 N 0.33 0.05 -0.42 5.20 5.85 -0.24 -1.28 115.31 124.80 1xxe h LEU 259 Ca 0.25 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 1xxe h LEU 259 Cb 0.29 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1xxe h LEU 259 CO -0.27 0.06 -0.06 0.58 -0.34 0.00 0.00 178.44 178.41 1xxe h VAL 260 N 0.22 1.27 -0.41 1.05 2.07 -0.57 -2.26 116.25 117.63 1xxe h VAL 260 Ca 0.18 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1xxe h VAL 260 Cb 0.20 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1xxe h VAL 260 CO -0.22 0.39 0.04 0.11 0.02 0.00 0.00 177.57 177.91 1xxe h LYS 261 N 0.61 0.15 -0.21 1.57 1.79 0.11 0.51 116.57 121.10 1xxe h LYS 261 Ca 0.11 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1xxe h LYS 261 Cb 0.58 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1xxe h LYS 261 CO 0.03 0.10 -0.16 0.93 -1.08 0.00 0.00 179.45 179.28 1xxe h GLU 262 N 0.16 0.48 -0.45 3.15 5.08 -1.21 -1.96 114.58 119.83 1xxe h GLU 262 Ca 0.20 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xxe h GLU 262 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1xxe h GLU 262 CO -0.30 0.80 0.29 -0.07 -1.00 0.00 0.00 179.01 178.73 1xxe h LEU 263 N 0.17 0.53 -1.01 1.33 3.38 -0.97 0.12 115.31 118.85 1xxe h LEU 263 Ca 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 263 Cb 0.69 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1xxe h LEU 263 CO 0.04 0.41 0.54 0.00 0.09 0.00 0.00 178.44 179.52 1xxe h ALA 264 N 1.15 1.26 0.00 1.53 0.00 0.05 -1.39 119.26 121.86 1xxe h ALA 264 Ca 0.16 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xxe h ALA 264 Cb -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1xxe h ALA 264 CO -0.03 0.64 -0.56 0.87 0.00 0.00 0.00 179.25 180.17 1xxe h LYS 265 N 1.24 0.00 -0.10 0.00 1.57 -0.78 -2.16 116.57 116.35 1xxe h LYS 265 Ca 0.32 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1xxe h LYS 265 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1xxe h LYS 265 CO -0.06 0.56 -0.03 0.87 -0.57 0.00 0.00 179.45 180.22 1xxe h LYS 266 N 0.00 0.19 -0.08 3.15 1.57 0.26 -2.87 116.57 118.78 1xxe h LYS 266 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xxe h LYS 266 Cb 1.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1xxe h LYS 266 CO 0.07 0.51 0.00 1.04 -0.57 0.00 0.00 179.45 180.50 1xxe n GLN 267 N -4.77 1.37 0.14 3.15 1.13 -0.72 -4.20 117.38 113.48 1xxe n GLN 267 Ca -0.06 -0.56 -0.06 0.00 -1.94 0.00 0.00 57.00 54.37 1xxe n GLN 267 Cb 0.24 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 1xxe n GLN 267 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1xxe h LYS 268 N 1.14 -0.37 0.00 -1.09 3.64 -1.15 -3.40 116.57 115.35 1xxe h LYS 268 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xxe h LYS 268 Cb 0.25 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1xxe h LYS 268 CO 0.00 -0.25 0.00 1.28 -2.27 0.00 0.00 179.45 178.21 1xxe n LEU 269 N -3.79 0.20 0.00 5.20 4.77 -1.26 -5.11 117.00 117.01 1xxe n LEU 269 Ca -0.05 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1xxe n LEU 269 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1xxe n LEU 269 CO 0.12 0.00 0.20 0.35 -1.33 0.00 0.00 177.39 176.72