#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 0.34 -4.72 3.23 1.02 0.79 -4.48 120.64 116.82 1xxe n GLU 4 Ca 0.00 0.12 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 1xxe n GLU 4 Cb 0.00 -1.28 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.30 3.36 0.29 3.49 2.47 -1.26 0.40 119.74 127.19 1xxe s LYS 5 Ca 0.62 -0.66 0.03 0.00 -1.56 0.00 0.00 55.97 54.40 1xxe s LYS 5 Cb -0.67 -2.66 -0.06 0.00 -1.46 0.00 0.00 37.83 32.99 1xxe s LYS 5 CO 0.59 0.26 0.07 -0.08 0.16 0.00 0.00 175.35 176.35 1xxe s THR 6 N 0.24 0.89 0.13 3.43 -1.32 -0.01 -2.44 115.64 116.55 1xxe s THR 6 Ca -0.08 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.12 1xxe s THR 6 Cb -0.15 -2.69 -0.07 0.00 -1.51 0.00 0.00 72.50 68.08 1xxe s THR 6 CO 0.05 -0.02 0.89 0.68 -2.21 0.00 0.00 174.62 174.00 1xxe s VAL 7 N -3.52 4.46 0.03 5.08 -7.23 -1.26 0.20 120.40 118.15 1xxe s VAL 7 Ca 0.37 1.93 -0.22 0.00 -1.81 0.00 0.00 61.98 62.25 1xxe s VAL 7 Cb 0.08 -4.26 -0.16 0.00 0.56 0.00 0.00 36.38 32.61 1xxe s VAL 7 CO 0.14 0.39 1.33 0.50 -0.31 0.00 0.00 175.10 177.15 1xxe h LYS 8 N 5.18 0.27 -5.47 4.82 3.64 -0.27 -3.41 116.57 121.32 1xxe h LYS 8 Ca -0.44 -0.14 -0.42 0.00 -1.27 0.00 0.00 60.65 58.37 1xxe h LYS 8 Cb 1.21 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.87 1xxe h LYS 8 CO 0.70 0.68 -0.75 -1.83 -2.27 0.00 0.00 179.45 175.99 1xxe s GLU 9 N -4.29 1.14 0.26 1.90 -1.05 -1.26 -4.97 118.70 110.43 1xxe s GLU 9 Ca -0.15 -1.38 -0.30 0.00 -0.15 0.00 0.00 54.97 52.99 1xxe s GLU 9 Cb 0.04 -0.97 -0.11 0.00 -0.44 0.00 0.00 34.13 32.65 1xxe s GLU 9 CO 0.74 0.17 1.53 0.21 0.95 0.00 0.00 175.26 178.86 1xxe s LYS 10 N -3.10 4.19 0.29 -4.83 2.20 -1.26 -4.85 119.74 112.37 1xxe s LYS 10 Ca 0.14 2.45 0.11 0.00 -0.36 0.00 0.00 55.97 58.31 1xxe s LYS 10 Cb -0.03 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 1xxe s LYS 10 CO 0.04 -0.54 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.83 1xxe s LEU 11 N -0.29 2.72 -0.06 5.43 1.43 -0.78 -4.97 118.68 122.17 1xxe s LEU 11 Ca 0.62 -0.98 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 1xxe s LEU 11 Cb -0.45 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1xxe s LEU 11 CO 0.44 -0.01 0.32 -0.94 0.23 0.00 0.00 176.35 176.40 1xxe s SER 12 N -3.56 -0.26 0.24 2.29 1.04 -1.26 -0.97 113.70 111.23 1xxe s SER 12 Ca 0.31 0.33 0.05 0.00 0.48 0.00 0.00 55.95 57.12 1xxe s SER 12 Cb -0.04 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1xxe s SER 12 CO 0.16 -0.32 -0.04 -0.36 0.98 0.00 0.00 173.24 173.67 1xxe s PHE 13 N -0.72 1.70 -0.20 5.02 0.08 -0.21 -4.95 117.98 118.69 1xxe s PHE 13 Ca -0.08 -0.81 -0.14 0.00 0.12 0.00 0.00 56.93 56.02 1xxe s PHE 13 Cb -0.04 -0.96 0.06 0.00 -0.57 0.00 0.00 43.02 41.51 1xxe s PHE 13 CO 0.03 0.11 0.51 -1.83 -0.10 0.00 0.00 175.22 173.94 1xxe s GLU 14 N -3.79 0.54 0.00 0.44 4.04 -1.26 -1.49 118.70 117.18 1xxe s GLU 14 Ca 0.28 0.85 0.00 0.00 0.04 0.00 0.00 54.97 56.14 1xxe s GLU 14 Cb 0.04 0.13 0.00 0.00 0.02 0.00 0.00 34.13 34.32 1xxe s GLU 14 CO 0.09 -0.12 0.00 0.41 -1.84 0.00 0.00 175.26 173.80 1xxe n GLY 15 N 3.72 1.71 3.82 -3.83 0.00 -0.80 -4.98 105.19 104.83 1xxe n GLY 15 Ca -0.19 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1xxe n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxe s VAL 16 N -2.00 3.24 0.01 1.61 0.11 -1.26 -2.15 120.40 119.96 1xxe s VAL 16 Ca 0.00 0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 1xxe s VAL 16 Cb 0.00 -3.20 -0.05 0.00 -1.53 0.00 0.00 36.38 31.60 1xxe s VAL 16 CO 0.00 -0.52 0.35 -0.83 -3.33 0.00 0.00 175.10 170.76 1xxe s GLY 17 N -3.99 2.35 0.11 6.54 0.00 -0.78 -0.16 107.32 111.39 1xxe s GLY 17 Ca 0.60 -0.39 -0.20 0.00 0.00 0.00 0.00 44.72 44.73 1xxe s GLY 17 CO 0.54 -0.12 1.72 1.19 0.00 0.00 0.00 173.10 176.43 1xxe h ILE 18 N 3.35 1.10 0.17 0.90 2.10 -1.82 0.24 117.51 123.55 1xxe h ILE 18 Ca -0.51 -0.25 -0.36 0.00 1.08 0.00 0.00 64.86 64.83 1xxe h ILE 18 Cb 1.21 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1xxe h ILE 18 CO 0.63 0.09 -1.83 0.45 -1.08 0.00 0.00 178.15 176.41 1xxe h HIS 19 N 0.24 0.64 -0.18 2.19 -0.00 -1.89 3.52 115.15 119.67 1xxe h HIS 19 Ca 0.07 -0.47 -0.17 0.00 -0.00 0.00 0.00 60.37 59.80 1xxe h HIS 19 Cb 0.04 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.43 1xxe h HIS 19 CO -0.04 1.71 -0.60 1.15 -0.00 0.00 0.00 177.93 180.15 1xxe h THR 20 N 0.10 1.32 -1.38 2.45 2.02 -1.93 -2.23 112.91 113.26 1xxe h THR 20 Ca -0.37 -1.86 -0.32 0.00 0.77 0.00 0.00 66.41 64.64 1xxe h THR 20 Cb 2.08 1.82 -0.08 0.00 -1.74 0.00 0.00 68.15 70.23 1xxe h THR 20 CO 0.15 0.58 -0.34 0.61 0.37 0.00 0.00 175.52 176.89 1xxe n GLY 21 N 0.35 0.80 3.54 2.16 0.00 0.84 -4.63 105.19 108.26 1xxe n GLY 21 Ca -0.04 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1xxe n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xxe s GLU 22 N -3.95 1.96 0.11 1.61 2.02 -1.26 -4.80 118.70 114.40 1xxe s GLU 22 Ca 0.00 -1.22 -0.31 0.00 0.02 0.00 0.00 54.97 53.46 1xxe s GLU 22 Cb 0.00 -2.15 -0.07 0.00 0.10 0.00 0.00 34.13 32.01 1xxe s GLU 22 CO 0.00 0.46 1.25 -0.47 0.02 0.00 0.00 175.26 176.51 1xxe s TYR 23 N -1.47 3.38 0.06 1.61 5.04 -1.26 -1.86 117.35 122.85 1xxe s TYR 23 Ca 0.22 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 1xxe s TYR 23 Cb -0.10 -3.49 -0.04 0.00 0.35 0.00 0.00 41.96 38.68 1xxe s TYR 23 CO 0.13 -1.55 -0.04 0.45 -1.34 0.00 0.00 175.55 173.20 1xxe s SER 24 N 0.78 0.72 0.13 4.32 0.15 -0.91 -4.87 113.70 114.01 1xxe s SER 24 Ca 0.58 -0.95 0.03 0.00 0.70 0.00 0.00 55.95 56.32 1xxe s SER 24 Cb -0.32 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1xxe s SER 24 CO 0.32 -0.52 -0.09 -0.75 1.20 0.00 0.00 173.24 173.40 1xxe s LYS 25 N -3.63 0.97 0.02 5.44 2.20 -0.92 -1.90 119.74 121.92 1xxe s LYS 25 Ca 0.06 -1.39 0.03 0.00 -0.36 0.00 0.00 55.97 54.32 1xxe s LYS 25 Cb 0.05 -0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 35.88 1xxe s LYS 25 CO -0.07 0.04 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.36 1xxe s LEU 26 N -3.06 2.12 -0.07 5.43 1.43 -0.56 -1.17 118.68 122.81 1xxe s LEU 26 Ca 0.14 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1xxe s LEU 26 Cb 0.03 -0.40 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1xxe s LEU 26 CO -0.01 0.01 -0.02 -0.63 0.23 0.00 0.00 176.35 175.92 1xxe s ILE 27 N -0.67 0.50 -0.16 -0.59 1.01 -0.55 -1.05 121.20 119.70 1xxe s ILE 27 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 1xxe s ILE 27 Cb -0.06 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1xxe s ILE 27 CO 0.00 0.26 -0.10 -0.63 0.00 0.00 0.00 174.94 174.47 1xxe s ILE 28 N 1.57 3.13 0.11 2.92 1.01 -0.14 0.15 121.20 129.95 1xxe s ILE 28 Ca -0.01 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.13 1xxe s ILE 28 Cb -0.13 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1xxe s ILE 28 CO -0.04 0.50 -0.24 -1.00 0.00 0.00 0.00 174.94 174.16 1xxe s HIS 29 N 0.71 2.09 0.93 3.97 3.76 -0.97 -1.86 115.29 123.92 1xxe s HIS 29 Ca -0.05 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.36 1xxe s HIS 29 Cb -0.15 -1.15 0.12 0.00 1.11 0.00 0.00 32.58 32.51 1xxe s HIS 29 CO 0.02 0.26 0.96 -0.35 -0.85 0.00 0.00 174.74 174.78 1xxe n PRO 30 N 1.11 -0.46 -3.47 8.40 -0.04 -1.26 -2.04 135.00 137.24 1xxe n PRO 30 Ca -0.18 -0.07 -0.15 0.00 -0.04 0.00 0.00 63.50 63.06 1xxe n PRO 30 Cb 0.53 -2.25 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 1xxe n PRO 30 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xxe n GLU 31 N -3.65 0.56 -3.13 0.54 -0.58 -1.26 -4.63 120.64 108.49 1xxe n GLU 31 Ca 0.11 -2.13 -0.31 0.00 -0.42 0.00 0.00 57.16 54.40 1xxe n GLU 31 Cb 0.52 1.35 -0.05 0.00 -0.57 0.00 0.00 31.44 32.70 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 -2.93 3.83 0.43 3.49 2.20 -1.26 -4.94 119.74 120.55 1xxe s LYS 32 Ca 0.17 0.41 -0.23 0.00 -0.36 0.00 0.00 55.97 55.97 1xxe s LYS 32 Cb 0.01 -2.50 -0.12 0.00 -1.51 0.00 0.00 37.83 33.71 1xxe s LYS 32 CO 0.12 0.13 0.65 0.39 -0.36 0.00 0.00 175.35 176.29 1xxe n GLU 33 N -0.72 0.73 -2.04 4.03 4.71 -1.26 -1.20 120.64 124.89 1xxe n GLU 33 Ca 0.02 0.27 -0.20 0.00 -0.01 0.00 0.00 57.16 57.23 1xxe n GLU 33 Cb 0.53 -1.64 -0.04 0.00 -1.01 0.00 0.00 31.44 29.28 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 1.65 0.59 0.14 0.62 0.00 -1.26 -4.86 105.19 102.06 1xxe n GLY 34 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 1.29 0.00 2.61 2.02 -1.36 -3.51 112.91 113.96 1xxe h THR 35 Ca -0.46 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.10 1xxe h THR 35 Cb 1.35 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 70.80 1xxe h THR 35 CO 0.59 0.79 0.00 0.61 0.37 0.00 0.00 175.52 177.88 1xxe n GLY 36 N 1.72 0.49 3.64 2.16 0.00 -0.12 -4.92 105.19 108.16 1xxe n GLY 36 Ca -0.17 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.10 5.27 0.01 -0.61 -1.09 -1.23 -2.27 121.20 120.17 1xxe s ILE 37 Ca 0.00 0.40 -0.00 0.00 -2.23 0.00 0.00 60.65 58.82 1xxe s ILE 37 Cb 0.00 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.26 1xxe s ILE 37 CO 0.00 0.27 -0.01 0.00 -1.23 0.00 0.00 174.94 173.97 1xxe s ARG 38 N 1.44 0.19 0.10 2.79 1.70 -1.04 -1.89 118.95 122.25 1xxe s ARG 38 Ca 0.12 -0.34 0.01 0.00 -0.47 0.00 0.00 55.73 55.06 1xxe s ARG 38 Cb -0.15 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.26 1xxe s ARG 38 CO 0.07 -0.03 0.23 -0.06 -1.08 0.00 0.00 175.30 174.43 1xxe s PHE 39 N -0.84 3.46 0.01 5.89 0.08 -0.70 -1.48 117.98 124.39 1xxe s PHE 39 Ca -0.09 0.17 0.03 0.00 0.12 0.00 0.00 56.93 57.16 1xxe s PHE 39 Cb -0.06 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1xxe s PHE 39 CO -0.00 0.55 -0.09 0.12 -0.10 0.00 0.00 175.22 175.70 1xxe s PHE 40 N -1.61 0.81 -0.27 0.36 2.19 -0.04 0.39 117.98 119.80 1xxe s PHE 40 Ca 0.34 -0.21 -0.28 0.00 0.33 0.00 0.00 56.93 57.11 1xxe s PHE 40 Cb -0.12 -0.51 0.18 0.00 -1.31 0.00 0.00 43.02 41.26 1xxe s PHE 40 CO 0.28 -0.01 1.31 0.21 1.83 0.00 0.00 175.22 178.83 1xxe s LYS 41 N -0.49 0.17 -1.62 10.12 2.20 -0.37 -1.47 119.74 128.28 1xxe s LYS 41 Ca 0.02 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1xxe s LYS 41 Cb -0.05 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 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 1.03 -5.30 -1.29 1.43 3.02 -1.26 -0.91 115.26 111.99 1xxe n ASN 42 Ca -0.06 0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 1xxe n ASN 42 Cb 0.58 -4.46 -0.01 0.00 -0.61 0.00 0.00 39.78 35.28 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 -0.89 0.04 2.97 7.41 0.00 -1.26 -5.01 105.19 108.45 1xxe n GLY 43 Ca -0.22 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 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 0.39 -0.05 1.61 1.01 -0.09 -5.15 120.40 115.56 1xxe s VAL 44 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1xxe s VAL 44 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1xxe s VAL 44 CO 0.00 -0.03 0.13 -0.31 0.00 0.00 0.00 175.10 174.90 1xxe s TYR 45 N -0.44 3.48 -0.34 5.22 1.51 -1.26 -1.24 117.35 124.28 1xxe s TYR 45 Ca -0.01 0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 56.41 1xxe s TYR 45 Cb -0.04 -1.84 0.12 0.00 -0.11 0.00 0.00 41.96 40.08 1xxe s TYR 45 CO -0.00 0.64 0.16 0.42 -1.11 0.00 0.00 175.55 175.66 1xxe s ILE 46 N -1.17 0.61 0.45 2.71 1.01 0.16 -4.94 121.20 120.03 1xxe s ILE 46 Ca 0.21 -1.55 -0.22 0.00 0.00 0.00 0.00 60.65 59.09 1xxe s ILE 46 Cb -0.12 -1.46 -0.11 0.00 0.01 0.00 0.00 42.46 40.79 1xxe s ILE 46 CO 0.12 -0.80 0.80 -2.65 0.00 0.00 0.00 174.94 172.41 1xxe n PRO 47 N 4.50 0.95 -3.03 2.79 -0.02 -1.26 -1.73 135.00 137.20 1xxe n PRO 47 Ca 0.02 0.35 -0.44 0.00 -2.02 0.00 0.00 63.50 61.41 1xxe n PRO 47 Cb 0.39 -1.83 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.40 4.05 0.06 3.55 0.00 -0.79 -4.82 121.76 122.40 1xxe s ALA 48 Ca 0.65 -3.36 0.01 0.00 0.00 0.00 0.00 51.96 49.26 1xxe s ALA 48 Cb -0.55 -3.98 -0.03 0.00 0.00 0.00 0.00 23.12 18.55 1xxe s ALA 48 CO 0.56 -2.68 -0.06 0.50 0.00 0.00 0.00 175.76 174.08 1xxe s ARG 49 N 1.16 0.60 0.17 0.00 3.52 -1.26 -4.39 118.95 118.75 1xxe s ARG 49 Ca 0.38 -0.95 -0.16 0.00 -0.13 0.00 0.00 55.73 54.86 1xxe s ARG 49 Cb -0.05 -0.17 0.12 0.00 -1.56 0.00 0.00 34.95 33.30 1xxe s ARG 49 CO -0.03 0.00 1.67 1.12 -0.81 0.00 0.00 175.30 177.25 1xxe h HIS 50 N 3.93 -0.17 -1.43 5.12 2.07 -1.94 0.20 115.15 122.94 1xxe h HIS 50 Ca -0.35 0.04 0.43 0.00 -2.85 0.00 0.00 60.37 57.64 1xxe h HIS 50 Cb 1.19 0.14 -0.09 0.00 2.57 0.00 0.00 27.41 31.22 1xxe h HIS 50 CO 0.62 -0.16 0.98 0.93 -3.07 0.00 0.00 177.93 177.23 1xxe h GLU 51 N 0.03 0.08 -0.00 5.12 4.39 -1.96 2.90 114.58 125.14 1xxe h GLU 51 Ca 0.21 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1xxe h GLU 51 Cb 0.32 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1xxe h GLU 51 CO -0.42 0.05 0.00 1.19 -1.16 0.00 0.00 179.01 178.67 1xxe n PHE 52 N -4.36 0.01 -1.73 4.33 3.72 0.69 -4.84 117.46 115.27 1xxe n PHE 52 Ca 0.35 -0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.33 1xxe n PHE 52 Cb 1.48 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.99 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 -1.99 2.47 -0.08 -4.37 1.01 0.97 -2.63 120.40 115.78 1xxe s VAL 53 Ca 0.36 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1xxe s VAL 53 Cb 0.17 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 1xxe s VAL 53 CO 0.28 0.00 -0.02 1.33 0.00 0.00 0.00 175.10 176.69 1xxe n VAL 54 N 4.59 0.49 -3.68 2.92 0.24 -0.97 -4.87 118.33 117.05 1xxe n VAL 54 Ca 0.17 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1xxe n VAL 54 Cb 0.38 -0.82 -0.11 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.17 -0.58 -0.13 6.34 5.65 -1.20 -5.04 115.29 118.15 1xxe s HIS 55 Ca -0.07 1.21 -0.02 0.00 0.25 0.00 0.00 55.06 56.43 1xxe s HIS 55 Cb 0.02 0.16 -0.02 0.00 -1.18 0.00 0.00 32.58 31.56 1xxe s HIS 55 CO 0.25 -0.38 -0.07 0.95 -0.65 0.00 0.00 174.74 174.84 1xxe s THR 56 N 2.15 3.62 0.00 0.89 -4.23 -1.26 -1.97 115.64 114.84 1xxe s THR 56 Ca -0.03 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1xxe s THR 56 Cb -0.11 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1xxe s THR 56 CO -0.11 0.52 0.00 -3.20 -0.54 0.00 0.00 174.62 171.29 1xxe n ASN 57 N 3.32 0.00 0.06 3.99 2.85 -1.26 -4.86 115.26 119.35 1xxe n ASN 57 Ca -0.18 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.31 1xxe n ASN 57 Cb 0.53 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.63 1xxe n ASN 57 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1xxe n HIS 58 N 0.00 0.10 -4.19 1.20 8.25 -1.26 -4.41 115.22 114.91 1xxe n HIS 58 Ca 0.00 0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 1xxe n HIS 58 Cb 0.00 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 30.72 1xxe n HIS 58 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xxe s SER 59 N -2.64 0.61 -0.26 0.41 0.15 -1.26 -5.03 113.70 105.68 1xxe s SER 59 Ca -0.00 -1.23 -0.09 0.00 0.70 0.00 0.00 55.95 55.32 1xxe s SER 59 Cb 0.01 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1xxe s SER 59 CO 0.03 -0.70 0.13 -0.89 1.20 0.00 0.00 173.24 173.01 1xxe s THR 60 N -3.93 4.85 0.00 6.45 2.01 -1.26 -4.59 115.64 119.16 1xxe s THR 60 Ca 0.27 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1xxe s THR 60 Cb 0.07 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 1xxe s THR 60 CO 0.04 0.31 -0.26 -1.81 -0.69 0.00 0.00 174.62 172.22 1xxe s ASP 61 N 1.54 3.03 0.19 3.53 1.01 -0.83 -1.33 116.67 123.80 1xxe s ASP 61 Ca 0.06 -0.51 0.09 0.00 0.71 0.00 0.00 52.55 52.91 1xxe s ASP 61 Cb -0.15 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.42 1xxe s ASP 61 CO 0.07 0.29 -0.19 -0.76 0.21 0.00 0.00 175.17 174.78 1xxe s LEU 62 N -0.82 2.47 -0.27 1.23 1.43 -0.66 -2.30 118.68 119.75 1xxe s LEU 62 Ca 0.10 -0.90 -0.26 0.00 -1.03 0.00 0.00 54.13 52.05 1xxe s LEU 62 Cb -0.10 -0.92 0.15 0.00 0.03 0.00 0.00 46.19 45.36 1xxe s LEU 62 CO 0.00 -0.00 1.20 -0.83 0.23 0.00 0.00 176.35 176.95 1xxe s GLY 63 N -2.82 0.04 0.01 -3.19 0.00 -1.08 0.28 107.32 100.56 1xxe s GLY 63 Ca 0.19 2.91 -0.07 0.00 0.00 0.00 0.00 44.72 47.75 1xxe s GLY 63 CO 0.08 1.70 0.14 -0.12 0.00 0.00 0.00 173.10 174.90 1xxe s PHE 64 N -0.14 0.07 -1.56 1.90 5.36 0.66 -4.74 117.98 119.52 1xxe s PHE 64 Ca 0.05 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1xxe s PHE 64 Cb -0.04 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.58 1xxe s PHE 64 CO -0.09 -0.32 0.00 1.63 -1.46 0.00 0.00 175.22 174.98 1xxe n LYS 65 N 1.22 -1.80 -0.58 10.12 4.76 -1.26 -0.34 118.16 130.28 1xxe n LYS 65 Ca -0.22 0.88 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 1xxe n LYS 65 Cb 0.56 -5.45 0.00 0.00 -1.84 0.00 0.00 35.03 28.30 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 -0.80 0.78 3.89 0.72 0.00 -1.26 -5.04 105.19 103.48 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 -0.42 3.48 0.02 1.61 -1.52 0.54 -5.10 119.66 118.28 1xxe s GLN 67 Ca 0.00 -0.18 -0.03 0.00 -1.95 0.00 0.00 55.36 53.20 1xxe s GLN 67 Cb 0.00 -3.13 -0.01 0.00 -0.22 0.00 0.00 33.01 29.65 1xxe s GLN 67 CO 0.00 0.71 0.04 -0.98 -0.25 0.00 0.00 175.29 174.81 1xxe s ARG 68 N -1.56 0.42 0.02 2.91 1.70 -1.26 -0.25 118.95 120.93 1xxe s ARG 68 Ca 0.23 -0.60 0.02 0.00 -0.47 0.00 0.00 55.73 54.91 1xxe s ARG 68 Cb -0.13 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.40 1xxe s ARG 68 CO 0.13 -0.09 -0.07 0.42 -1.08 0.00 0.00 175.30 174.61 1xxe s ILE 69 N -1.74 0.51 0.17 4.99 1.01 0.14 -4.81 121.20 121.48 1xxe s ILE 69 Ca -0.13 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.02 1xxe s ILE 69 Cb -0.07 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 1xxe s ILE 69 CO -0.01 -0.07 -0.10 -0.54 0.00 0.00 0.00 174.94 174.22 1xxe s LYS 70 N -0.72 2.06 -0.84 2.79 1.02 -0.67 -1.66 119.74 121.72 1xxe s LYS 70 Ca -0.02 -1.24 -0.03 0.00 0.02 0.00 0.00 55.97 54.70 1xxe s LYS 70 Cb -0.05 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1xxe s LYS 70 CO 0.00 0.44 0.70 2.41 -0.92 0.00 0.00 175.35 177.99 1xxe n THR 71 N 0.14 -7.67 0.34 2.17 -1.04 -0.44 -2.21 114.28 105.58 1xxe n THR 71 Ca -0.11 -0.35 0.04 0.00 -2.04 0.00 0.00 64.05 61.59 1xxe n THR 71 Cb 0.55 -5.47 -0.01 0.00 -1.82 0.00 0.00 70.33 63.58 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 -2.42 0.00 0.19 12.58 0.24 -1.11 -4.04 118.33 123.77 1xxe n VAL 72 Ca -0.11 -0.40 0.03 0.00 -2.04 0.00 0.00 64.34 61.83 1xxe n VAL 72 Cb 0.57 1.07 0.38 0.00 -1.47 0.00 0.00 33.84 34.40 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 0.69 0.00 0.86 7.34 4.11 -1.87 -2.32 114.58 123.38 1xxe h GLU 73 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1xxe h GLU 73 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1xxe h GLU 73 CO 0.00 0.36 -0.41 0.45 0.07 0.00 0.00 179.01 179.48 1xxe h HIS 74 N 0.00 -1.07 -0.60 2.06 3.86 -1.92 0.26 115.15 117.74 1xxe h HIS 74 Ca -0.00 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1xxe h HIS 74 Cb 0.66 0.35 -0.04 0.00 1.06 0.00 0.00 27.41 29.45 1xxe h HIS 74 CO 0.00 -0.67 0.37 0.97 0.86 0.00 0.00 177.93 179.47 1xxe h ILE 75 N -1.28 1.10 -0.83 2.45 6.09 -1.86 -1.68 117.51 121.51 1xxe h ILE 75 Ca -0.12 -0.26 0.02 0.00 -1.37 0.00 0.00 64.86 63.13 1xxe h ILE 75 Cb 0.89 0.28 -0.04 0.00 0.47 0.00 0.00 36.82 38.42 1xxe h ILE 75 CO 0.19 0.14 0.55 -0.07 -3.07 0.00 0.00 178.15 175.89 1xxe h LEU 76 N 0.75 0.93 -0.21 2.19 3.38 -1.35 -2.06 115.31 118.94 1xxe h LEU 76 Ca 0.23 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1xxe h LEU 76 Cb -0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1xxe h LEU 76 CO -0.08 0.66 0.13 -1.28 0.09 0.00 0.00 178.44 177.96 1xxe h SER 77 N 1.09 0.22 0.19 -0.43 0.87 0.46 -0.54 113.55 115.40 1xxe h SER 77 Ca 0.31 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1xxe h SER 77 Cb -0.07 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1xxe h SER 77 CO -0.08 0.16 -0.20 0.58 -0.53 0.00 0.00 176.83 176.76 1xxe h VAL 78 N 0.27 0.56 -0.84 2.23 2.07 -1.04 -1.74 116.25 117.77 1xxe h VAL 78 Ca 0.08 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.76 1xxe h VAL 78 Cb -0.02 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.22 1xxe h VAL 78 CO -0.03 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 177.88 1xxe h LEU 79 N -0.43 0.41 0.29 2.57 3.38 -1.12 -0.62 115.31 119.80 1xxe h LEU 79 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xxe h LEU 79 Cb 0.40 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1xxe h LEU 79 CO -0.05 0.13 -0.38 -0.74 0.09 0.00 0.00 178.44 177.49 1xxe h HIS 80 N 0.52 -1.03 -0.90 1.13 2.76 -0.24 0.92 115.15 118.31 1xxe h HIS 80 Ca 0.48 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.72 1xxe h HIS 80 Cb 0.75 0.41 -0.06 0.00 1.55 0.00 0.00 27.41 30.07 1xxe h HIS 80 CO -0.12 -0.51 0.58 -0.07 -1.30 0.00 0.00 177.93 176.51 1xxe h LEU 81 N -0.72 0.90 -0.00 0.26 3.38 -0.63 -0.46 115.31 118.03 1xxe h LEU 81 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xxe h LEU 81 Cb 0.68 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1xxe h LEU 81 CO -0.12 0.58 -0.00 0.18 0.09 0.00 0.00 178.44 179.17 1xxe n LEU 82 N -4.49 0.01 -2.95 1.67 4.77 -0.34 -4.94 117.00 110.74 1xxe n LEU 82 Ca 0.13 0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 56.32 1xxe n LEU 82 Cb 0.19 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1xxe n LEU 82 CO 0.33 0.00 0.12 -0.62 -1.33 0.00 0.00 177.39 175.89 1xxe n GLU 83 N -1.29 -1.65 -3.98 3.23 4.71 0.26 -4.99 120.64 116.93 1xxe n GLU 83 Ca 0.14 0.96 -0.35 0.00 -0.01 0.00 0.00 57.16 57.90 1xxe n GLU 83 Cb 0.25 -5.21 -0.09 0.00 -1.01 0.00 0.00 31.44 25.38 1xxe n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xxe s ILE 84 N -3.22 4.96 -0.01 -3.67 -1.09 -0.97 -4.05 121.20 113.16 1xxe s ILE 84 Ca 0.26 0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 1xxe s ILE 84 Cb -0.03 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 1xxe s ILE 84 CO 0.64 0.50 0.03 0.35 -1.23 0.00 0.00 174.94 175.23 1xxe n THR 85 N 3.10 0.04 -3.80 2.92 -2.24 -1.02 -4.89 114.28 108.38 1xxe n THR 85 Ca -0.17 -0.06 -0.27 0.00 -2.27 0.00 0.00 64.05 61.28 1xxe n THR 85 Cb 0.53 -0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.58 2.82 -0.28 3.42 0.01 -1.24 -0.95 114.94 116.14 1xxe s ASN 86 Ca -0.01 -0.72 -0.23 0.00 -0.71 0.00 0.00 52.86 51.19 1xxe s ASN 86 Cb 0.01 -0.73 0.10 0.00 0.41 0.00 0.00 41.25 41.04 1xxe s ASN 86 CO 0.08 -0.25 0.86 0.68 -1.51 0.00 0.00 177.10 176.96 1xxe s VAL 87 N 1.76 0.00 -0.47 1.60 -7.23 -0.96 -4.01 120.40 111.09 1xxe s VAL 87 Ca -0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.07 1xxe s VAL 87 Cb -0.16 -1.00 0.12 0.00 0.56 0.00 0.00 36.38 35.90 1xxe s VAL 87 CO -0.07 0.00 0.35 -0.89 -0.31 0.00 0.00 175.10 174.18 1xxe s THR 88 N 0.58 4.25 -0.32 5.32 2.01 -0.87 -2.50 115.64 124.13 1xxe s THR 88 Ca -0.01 -1.76 -0.20 0.00 0.31 0.00 0.00 61.69 60.03 1xxe s THR 88 Cb -0.05 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1xxe s THR 88 CO -0.06 -0.77 0.62 -0.63 -0.69 0.00 0.00 174.62 173.08 1xxe s ILE 89 N 1.37 4.94 -0.30 1.82 1.01 -0.55 -2.30 121.20 127.19 1xxe s ILE 89 Ca 0.06 0.77 -0.17 0.00 0.00 0.00 0.00 60.65 61.31 1xxe s ILE 89 Cb -0.26 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 1xxe s ILE 89 CO -0.00 -0.17 0.46 -1.61 0.00 0.00 0.00 174.94 173.62 1xxe s GLU 90 N 2.60 3.86 -0.40 2.79 2.02 0.12 -0.86 118.70 128.83 1xxe s GLU 90 Ca 0.24 0.01 -0.10 0.00 0.02 0.00 0.00 54.97 55.14 1xxe s GLU 90 Cb -0.15 -3.72 0.05 0.00 0.10 0.00 0.00 34.13 30.42 1xxe s GLU 90 CO 0.12 -0.44 0.24 0.08 0.02 0.00 0.00 175.26 175.28 1xxe s VAL 91 N 2.24 4.41 -0.44 2.63 1.01 -0.54 -1.48 120.40 128.23 1xxe s VAL 91 Ca 0.18 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 1xxe s VAL 91 Cb -0.16 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1xxe s VAL 91 CO 0.11 -0.37 0.73 -0.63 0.00 0.00 0.00 175.10 174.93 1xxe s ILE 92 N 1.49 4.73 -4.06 2.22 1.01 -0.31 -4.68 121.20 121.59 1xxe s ILE 92 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1xxe s ILE 92 Cb -0.21 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 37.99 1xxe s ILE 92 CO 0.04 -0.64 0.00 0.61 0.00 0.00 0.00 174.94 174.95 1xxe n GLY 93 N 4.97 0.88 0.00 6.18 0.00 -1.26 -2.16 105.19 113.80 1xxe n GLY 93 Ca 0.01 -1.97 0.06 0.00 0.00 0.00 0.00 46.02 44.11 1xxe n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xxe n ASN 94 N 1.09 0.79 -3.66 1.61 2.85 -1.26 -4.99 115.26 111.69 1xxe n ASN 94 Ca 0.00 -0.66 -0.12 0.00 -0.11 0.00 0.00 54.58 53.68 1xxe n ASN 94 Cb 0.00 1.08 -0.06 0.00 1.24 0.00 0.00 39.78 42.04 1xxe n ASN 94 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1xxe s GLU 95 N -2.20 0.95 0.13 1.20 1.03 -1.26 -1.67 118.70 116.88 1xxe s GLU 95 Ca 0.03 -0.44 -0.31 0.00 0.03 0.00 0.00 54.97 54.28 1xxe s GLU 95 Cb 0.09 0.42 -0.07 0.00 -0.80 0.00 0.00 34.13 33.76 1xxe s GLU 95 CO 0.48 -0.34 1.27 0.42 -1.33 0.00 0.00 175.26 175.77 1xxe s ILE 96 N -2.77 3.57 0.22 1.83 -1.09 -0.94 -4.78 121.20 117.25 1xxe s ILE 96 Ca -0.03 1.20 -0.29 0.00 -2.23 0.00 0.00 60.65 59.29 1xxe s ILE 96 Cb -0.00 -3.76 -0.16 0.00 -1.58 0.00 0.00 42.46 36.96 1xxe s ILE 96 CO -0.04 0.13 0.88 -2.65 -1.23 0.00 0.00 174.94 172.02 1xxe n PRO 97 N 3.39 0.80 0.05 2.79 -0.02 -1.26 -4.58 135.00 136.16 1xxe n PRO 97 Ca 0.08 0.28 -0.19 0.00 -2.02 0.00 0.00 63.50 61.65 1xxe n PRO 97 Cb 0.44 -1.56 -0.09 0.00 -0.02 0.00 0.00 33.50 32.27 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 1.83 1.30 -0.41 4.25 6.09 -0.82 -3.47 117.51 126.28 1xxe h ILE 98 Ca -0.37 -2.28 0.00 0.00 -1.37 0.00 0.00 64.86 60.84 1xxe h ILE 98 Cb 1.38 2.39 0.00 0.00 0.47 0.00 0.00 36.82 41.06 1xxe h ILE 98 CO 0.61 0.70 0.00 0.18 -3.07 0.00 0.00 178.15 176.58 1xxe n LEU 99 N -3.83 0.00 0.00 2.19 4.77 -1.26 -1.08 117.00 117.79 1xxe n LEU 99 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1xxe n LEU 99 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1xxe n LEU 99 CO 0.55 -0.21 0.24 -0.67 -1.33 0.00 0.00 177.39 175.97 1xxe n ASP 100 N -3.25 0.00 0.00 -1.43 2.03 -1.26 -4.50 116.55 108.14 1xxe n ASP 100 Ca 0.00 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1xxe n ASP 100 Cb 0.00 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.96 1.82 0.00 0.27 0.00 -0.24 -4.67 105.19 101.41 1xxe n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.21 -0.19 1.61 3.41 -1.26 -1.43 113.62 116.97 1xxe n SER 102 Ca 0.00 -0.85 0.03 0.00 -0.26 0.00 0.00 58.87 57.78 1xxe n SER 102 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 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 5.00 -0.75 0.33 5.00 0.00 -0.78 -4.68 105.19 109.31 1xxe n GLY 103 Ca 0.00 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 0.95 0.80 0.18 1.61 2.91 -1.81 0.11 115.95 120.70 1xxe h TRP 104 Ca 0.00 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1xxe h TRP 104 Cb 0.21 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 1xxe h TRP 104 CO 0.00 -0.08 -0.09 0.93 -1.03 0.00 0.00 178.44 178.18 1xxe h GLU 105 N 0.40 -0.24 -0.41 2.65 5.08 -1.90 0.38 114.58 120.55 1xxe h GLU 105 Ca 0.64 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 59.00 1xxe h GLU 105 Cb 1.30 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1xxe h GLU 105 CO -0.55 -0.06 0.21 0.74 -1.00 0.00 0.00 179.01 178.34 1xxe h PHE 106 N -0.37 0.57 -0.88 4.33 0.04 -1.54 0.25 116.94 119.35 1xxe h PHE 106 Ca -0.03 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.74 1xxe h PHE 106 Cb 0.28 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1xxe h PHE 106 CO -0.03 0.46 0.58 -0.92 -0.60 0.00 0.00 178.31 177.80 1xxe h TYR 107 N 0.52 1.09 -0.07 -0.55 5.03 -0.69 0.27 116.97 122.58 1xxe h TYR 107 Ca 0.14 0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.27 1xxe h TYR 107 Cb 0.09 -0.37 0.01 0.00 1.55 0.00 0.00 36.73 38.01 1xxe h TYR 107 CO -0.02 0.68 -0.76 0.93 -1.32 0.00 0.00 178.16 177.67 1xxe h GLU 108 N 1.17 0.63 -0.01 1.82 3.07 0.22 -1.52 114.58 119.96 1xxe h GLU 108 Ca 0.33 -0.59 -0.03 0.00 -0.50 0.00 0.00 59.36 58.57 1xxe h GLU 108 Cb -0.10 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1xxe h GLU 108 CO -0.08 1.20 -0.12 0.00 -1.40 0.00 0.00 179.01 178.61 1xxe h ALA 109 N 0.44 0.03 -0.50 3.43 0.00 -0.33 -3.21 119.26 119.13 1xxe h ALA 109 Ca -0.08 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1xxe h ALA 109 Cb 1.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1xxe h ALA 109 CO 0.15 -0.03 -0.15 0.82 0.00 0.00 0.00 179.25 180.04 1xxe h ILE 110 N -0.56 1.27 -0.75 0.00 2.04 -0.59 -2.69 117.51 116.23 1xxe h ILE 110 Ca -0.01 -1.30 0.19 0.00 1.00 0.00 0.00 64.86 64.74 1xxe h ILE 110 Cb 0.83 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1xxe h ILE 110 CO 0.02 0.45 0.52 -0.09 0.00 0.00 0.00 178.15 179.06 1xxe h ARG 111 N 0.84 0.16 -0.00 2.37 9.65 -1.36 0.80 114.38 126.83 1xxe h ARG 111 Ca 0.12 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1xxe h ARG 111 Cb 0.72 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1xxe h ARG 111 CO 0.05 0.10 -0.16 1.17 2.80 0.00 0.00 179.97 183.94 1xxe n LYS 112 N -4.39 0.56 -0.89 0.20 4.81 -1.02 -3.88 118.16 113.54 1xxe n LYS 112 Ca 0.15 -0.21 0.05 0.00 -0.87 0.00 0.00 58.31 57.43 1xxe n LYS 112 Cb 0.71 -1.50 0.15 0.00 0.02 0.00 0.00 35.03 34.42 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 -1.04 1.59 -4.85 3.14 3.02 0.27 -5.01 115.26 112.38 1xxe n ASN 113 Ca 0.12 -3.38 -0.34 0.00 -0.03 0.00 0.00 54.58 50.95 1xxe n ASN 113 Cb 0.30 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 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 -2.41 4.85 0.16 2.41 1.01 -0.83 0.40 121.20 126.78 1xxe s ILE 114 Ca 0.37 0.75 0.04 0.00 0.00 0.00 0.00 60.65 61.81 1xxe s ILE 114 Cb 0.38 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1xxe s ILE 114 CO -0.09 0.12 -0.08 -0.22 0.00 0.00 0.00 174.94 174.66 1xxe s LEU 115 N -2.29 2.45 0.00 2.97 2.96 0.52 -4.43 118.68 120.87 1xxe s LEU 115 Ca 0.42 -1.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1xxe s LEU 115 Cb -0.14 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 1xxe s LEU 115 CO 0.20 -0.38 -0.00 0.21 -1.32 0.00 0.00 176.35 175.05 1xxe s ASN 116 N -3.18 5.08 0.00 3.68 3.04 -1.26 -0.83 114.94 121.46 1xxe s ASN 116 Ca 0.19 -0.02 0.00 0.00 0.04 0.00 0.00 52.86 53.06 1xxe s ASN 116 Cb 0.03 -1.31 0.00 0.00 -1.54 0.00 0.00 41.25 38.43 1xxe s ASN 116 CO 0.02 0.28 0.00 0.00 -3.04 0.00 0.00 177.10 174.35 1xxe n GLN 117 N 1.37 2.55 0.00 0.43 6.02 0.16 -4.84 117.38 123.07 1xxe n GLN 117 Ca -0.14 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.88 1xxe n GLN 117 Cb 0.53 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.79 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 -0.90 1.13 -4.83 1.08 2.85 -1.26 -4.54 115.26 108.79 1xxe n ASN 118 Ca 0.00 -1.07 -0.36 0.00 -0.11 0.00 0.00 54.58 53.04 1xxe n ASN 118 Cb 0.00 0.34 -0.06 0.00 1.24 0.00 0.00 39.78 41.30 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1xxe s ARG 119 N -0.92 4.04 -0.06 1.20 3.52 -1.26 -4.85 118.95 120.62 1xxe s ARG 119 Ca 0.06 0.56 -0.27 0.00 -0.13 0.00 0.00 55.73 55.96 1xxe s ARG 119 Cb 0.05 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.40 1xxe s ARG 119 CO 0.14 0.52 0.86 -2.00 -0.81 0.00 0.00 175.30 174.02 1xxe s GLU 120 N -1.71 4.46 0.28 5.12 2.12 -1.26 0.28 118.70 127.98 1xxe s GLU 120 Ca 0.35 1.16 -0.29 0.00 0.36 0.00 0.00 54.97 56.55 1xxe s GLU 120 Cb -0.16 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.65 1xxe s GLU 120 CO 0.19 -0.08 1.33 0.42 -0.54 0.00 0.00 175.26 176.58 1xxe s ILE 121 N 1.21 2.85 -0.91 -3.70 1.01 -1.26 -4.77 121.20 115.64 1xxe s ILE 121 Ca 0.44 0.78 -0.19 0.00 0.00 0.00 0.00 60.65 61.68 1xxe s ILE 121 Cb -0.19 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 38.90 1xxe s ILE 121 CO 0.21 0.15 1.13 -0.62 0.00 0.00 0.00 174.94 175.82 1xxe s ASP 122 N -0.08 6.57 0.51 3.58 2.15 -1.26 -5.01 116.67 123.13 1xxe s ASP 122 Ca 0.53 -1.89 -0.22 0.00 0.43 0.00 0.00 52.55 51.40 1xxe s ASP 122 Cb -0.39 -2.41 -0.06 0.00 -0.30 0.00 0.00 42.92 39.76 1xxe s ASP 122 CO 0.46 -1.14 1.25 -0.31 -0.17 0.00 0.00 175.17 175.27 1xxe s TYR 123 N 3.00 2.57 -0.26 -5.34 2.02 -1.26 -4.75 117.35 113.33 1xxe s TYR 123 Ca 0.32 1.47 -0.11 0.00 -0.37 0.00 0.00 57.07 58.39 1xxe s TYR 123 Cb -0.06 -3.56 -0.05 0.00 -0.40 0.00 0.00 41.96 37.89 1xxe s TYR 123 CO -0.07 -2.16 0.17 0.12 -1.57 0.00 0.00 175.55 172.03 1xxe s PHE 124 N -1.45 3.26 -0.02 2.71 2.19 -0.70 -5.01 117.98 118.96 1xxe s PHE 124 Ca 0.69 0.15 0.06 0.00 0.33 0.00 0.00 56.93 58.16 1xxe s PHE 124 Cb -0.34 -2.32 -0.01 0.00 -1.31 0.00 0.00 43.02 39.04 1xxe s PHE 124 CO 0.40 -0.05 -0.20 0.08 1.83 0.00 0.00 175.22 177.28 1xxe s VAL 125 N 1.39 1.57 0.14 3.12 1.01 -1.26 0.50 120.40 126.86 1xxe s VAL 125 Ca 0.07 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 1xxe s VAL 125 Cb -0.15 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 1xxe s VAL 125 CO 0.07 0.44 0.77 -0.69 0.00 0.00 0.00 175.10 175.70 1xxe s VAL 126 N -0.39 4.44 -0.14 2.92 1.01 -0.84 -4.94 120.40 122.46 1xxe s VAL 126 Ca 0.06 1.69 0.02 0.00 0.00 0.00 0.00 61.98 63.75 1xxe s VAL 126 Cb -0.08 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1xxe s VAL 126 CO -0.00 0.49 0.17 -0.62 0.00 0.00 0.00 175.10 175.14 1xxe n GLU 127 N 1.85 5.30 -3.85 2.72 -0.58 -1.26 -4.25 120.64 120.57 1xxe n GLU 127 Ca -0.05 -0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.48 1xxe n GLU 127 Cb 0.49 -0.67 -0.12 0.00 -0.57 0.00 0.00 31.44 30.57 1xxe n GLU 127 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1xxe s GLU 128 N -1.09 0.29 0.53 3.49 -1.05 -1.26 -4.80 118.70 114.81 1xxe s GLU 128 Ca 0.01 -0.06 -0.19 0.00 -0.15 0.00 0.00 54.97 54.58 1xxe s GLU 128 Cb 0.02 0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.77 1xxe s GLU 128 CO 0.09 -0.06 1.09 -1.25 0.95 0.00 0.00 175.26 176.09 1xxe s PRO 129 N -0.53 3.48 0.00 -4.83 0.04 -1.26 -4.57 135.00 127.33 1xxe s PRO 129 Ca -0.06 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1xxe s PRO 129 Cb -0.04 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1xxe s PRO 129 CO 0.01 -0.72 0.02 -1.50 0.04 0.00 0.00 177.00 174.84 1xxe s ILE 130 N -1.93 0.05 -0.09 0.56 2.07 -0.88 -4.96 121.20 116.02 1xxe s ILE 130 Ca 0.70 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 59.55 1xxe s ILE 130 Cb -0.20 -0.17 0.02 0.00 0.13 0.00 0.00 42.46 42.24 1xxe s ILE 130 CO 0.26 -0.22 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.34 1xxe s ILE 131 N -0.66 1.11 -0.23 2.00 1.01 -1.26 -1.15 121.20 122.03 1xxe s ILE 131 Ca -0.07 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1xxe s ILE 131 Cb -0.05 -1.06 0.06 0.00 0.01 0.00 0.00 42.46 41.42 1xxe s ILE 131 CO -0.00 0.36 -0.07 0.68 0.00 0.00 0.00 174.94 175.91 1xxe s VAL 132 N 1.09 1.61 -0.10 2.92 -7.23 -0.75 -5.00 120.40 112.94 1xxe s VAL 132 Ca -0.06 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1xxe s VAL 132 Cb -0.14 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1xxe s VAL 132 CO -0.01 -0.02 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.93 1xxe s GLU 133 N 1.37 3.11 -0.28 4.82 2.12 -1.26 -1.74 118.70 126.84 1xxe s GLU 133 Ca -0.05 -0.67 -0.35 0.00 0.36 0.00 0.00 54.97 54.27 1xxe s GLU 133 Cb -0.18 -2.58 0.17 0.00 0.26 0.00 0.00 34.13 31.80 1xxe s GLU 133 CO -0.07 0.37 1.36 0.34 -0.54 0.00 0.00 175.26 176.73 1xxe s ASP 134 N -0.05 -0.03 -1.80 -1.70 2.15 -0.69 -4.96 116.67 109.60 1xxe s ASP 134 Ca -0.02 0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.97 1xxe s ASP 134 Cb -0.14 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.51 1xxe s ASP 134 CO 0.04 -0.04 0.00 -0.62 -0.17 0.00 0.00 175.17 174.38 1xxe n GLU 135 N 0.18 -1.38 -0.99 4.34 -0.58 -1.26 0.56 120.64 121.51 1xxe n GLU 135 Ca 0.03 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.77 1xxe n GLU 135 Cb 0.57 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 26.12 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xxe n GLY 136 N -0.32 0.80 3.94 0.62 0.00 -1.26 -5.01 105.19 103.96 1xxe n GLY 136 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.04 2.60 -0.14 1.61 0.52 0.19 -4.92 118.95 118.77 1xxe s ARG 137 Ca 0.00 -1.47 -0.28 0.00 -0.52 0.00 0.00 55.73 53.46 1xxe s ARG 137 Cb 0.00 -2.52 0.07 0.00 0.52 0.00 0.00 34.95 33.02 1xxe s ARG 137 CO 0.00 -0.30 0.69 -1.17 0.02 0.00 0.00 175.30 174.54 1xxe s LEU 138 N -4.26 -0.68 -0.12 2.53 0.20 -0.97 -1.70 118.68 113.68 1xxe s LEU 138 Ca 0.51 1.00 -0.06 0.00 0.69 0.00 0.00 54.13 56.27 1xxe s LEU 138 Cb -0.06 2.50 0.05 0.00 -0.43 0.00 0.00 46.19 48.25 1xxe s LEU 138 CO 0.30 -0.47 0.28 -0.63 -0.29 0.00 0.00 176.35 175.55 1xxe s ILE 139 N -0.57 -0.17 0.08 6.68 1.01 -0.71 -0.99 121.20 126.53 1xxe s ILE 139 Ca -0.07 0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.85 1xxe s ILE 139 Cb -0.02 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1xxe s ILE 139 CO 0.06 0.07 -0.21 -0.75 0.00 0.00 0.00 174.94 174.12 1xxe s LYS 140 N 1.65 1.84 0.11 2.79 2.36 -0.45 -1.81 119.74 126.24 1xxe s LYS 140 Ca -0.06 -1.12 0.07 0.00 -2.55 0.00 0.00 55.97 52.31 1xxe s LYS 140 Cb -0.11 -2.09 -0.03 0.00 -1.05 0.00 0.00 37.83 34.55 1xxe s LYS 140 CO -0.09 0.50 -0.17 0.00 1.55 0.00 0.00 175.35 177.14 1xxe s ALA 141 N -0.98 1.57 -0.14 3.13 0.00 -0.30 -0.57 121.76 124.48 1xxe s ALA 141 Ca 0.15 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 1xxe s ALA 141 Cb -0.10 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.90 1xxe s ALA 141 CO 0.06 0.22 0.36 -2.00 0.00 0.00 0.00 175.76 174.41 1xxe s GLU 142 N -2.17 0.42 0.42 0.00 2.12 0.93 -2.06 118.70 118.35 1xxe s GLU 142 Ca 0.06 0.52 -0.24 0.00 0.36 0.00 0.00 54.97 55.67 1xxe s GLU 142 Cb -0.08 0.18 -0.11 0.00 0.26 0.00 0.00 34.13 34.39 1xxe s GLU 142 CO 0.04 -0.06 0.92 -0.35 -0.54 0.00 0.00 175.26 175.27 1xxe n PRO 143 N 3.00 1.18 -3.54 4.30 -0.04 -1.26 0.21 135.00 138.85 1xxe n PRO 143 Ca -0.14 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.61 1xxe n PRO 143 Cb 0.57 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.80 -0.49 0.00 3.54 0.15 -1.26 -4.45 113.70 110.39 1xxe s SER 144 Ca 0.64 0.46 0.29 0.00 0.70 0.00 0.00 55.95 58.04 1xxe s SER 144 Cb -0.57 0.42 1.35 0.00 -1.71 0.00 0.00 66.02 65.52 1xxe s SER 144 CO 0.57 -0.51 1.92 -0.90 1.20 0.00 0.00 173.24 175.51 1xxe n ASP 145 N 0.62 0.91 -4.03 5.45 5.75 -1.26 -3.69 116.55 120.30 1xxe n ASP 145 Ca -0.14 -1.26 -0.15 0.00 -0.01 0.00 0.00 54.79 53.23 1xxe n ASP 145 Cb 0.58 -0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.54 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1xxe s THR 146 N -2.04 0.57 -0.28 2.12 -4.23 -1.26 -4.91 115.64 105.61 1xxe s THR 146 Ca 0.41 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 59.89 1xxe s THR 146 Cb 0.21 -0.57 0.01 0.00 1.34 0.00 0.00 72.50 73.50 1xxe s THR 146 CO 0.36 -0.13 1.07 -0.22 -0.54 0.00 0.00 174.62 175.16 1xxe s LEU 147 N -0.96 4.01 0.01 4.79 2.96 -1.26 -3.30 118.68 124.93 1xxe s LEU 147 Ca -0.04 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 1xxe s LEU 147 Cb -0.07 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1xxe s LEU 147 CO 0.00 -0.79 -0.03 -0.70 -1.32 0.00 0.00 176.35 173.51 1xxe s GLU 148 N 3.47 0.24 -0.02 1.98 2.12 -0.85 -3.13 118.70 122.51 1xxe s GLU 148 Ca 0.45 -0.21 -0.00 0.00 0.36 0.00 0.00 54.97 55.57 1xxe s GLU 148 Cb -0.14 -0.16 0.03 0.00 0.26 0.00 0.00 34.13 34.12 1xxe s GLU 148 CO 0.12 0.04 0.04 0.08 -0.54 0.00 0.00 175.26 174.99 1xxe s VAL 149 N -0.35 -0.05 -0.06 3.70 1.01 -0.74 -1.53 120.40 122.37 1xxe s VAL 149 Ca -0.02 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1xxe s VAL 149 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1xxe s VAL 149 CO -0.00 0.07 -0.21 -0.89 0.00 0.00 0.00 175.10 174.07 1xxe s THR 150 N 0.89 2.44 -0.09 3.92 2.01 0.04 -0.24 115.64 124.61 1xxe s THR 150 Ca -0.07 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1xxe s THR 150 Cb -0.10 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.49 1xxe s THR 150 CO -0.03 0.57 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.82 1xxe s TYR 151 N -0.24 2.10 -0.30 4.92 5.04 -0.90 0.94 117.35 128.90 1xxe s TYR 151 Ca -0.00 -0.89 -0.01 0.00 -2.44 0.00 0.00 57.07 53.73 1xxe s TYR 151 Cb -0.13 -1.46 0.05 0.00 0.35 0.00 0.00 41.96 40.78 1xxe s TYR 151 CO 0.03 -0.40 -0.01 -2.00 -1.34 0.00 0.00 175.55 171.82 1xxe s GLU 152 N 0.63 2.37 -0.20 4.97 -6.30 0.14 -2.22 118.70 118.09 1xxe s GLU 152 Ca -0.14 -1.31 -0.03 0.00 -2.50 0.00 0.00 54.97 50.99 1xxe s GLU 152 Cb -0.16 -3.15 -0.01 0.00 0.00 0.00 0.00 34.13 30.81 1xxe s GLU 152 CO 0.04 -0.63 -0.06 0.20 0.02 0.00 0.00 175.26 174.83 1xxe s GLY 153 N 1.24 1.61 -0.33 -1.50 0.00 -0.81 -1.11 107.32 106.42 1xxe s GLY 153 Ca -0.05 -1.08 -0.11 0.00 0.00 0.00 0.00 44.72 43.48 1xxe s GLY 153 CO -0.02 0.27 0.19 -1.83 0.00 0.00 0.00 173.10 171.71 1xxe s GLU 154 N 1.17 3.31 0.06 2.90 1.03 -1.26 -1.61 118.70 124.29 1xxe s GLU 154 Ca 0.02 -0.75 0.04 0.00 0.03 0.00 0.00 54.97 54.31 1xxe s GLU 154 Cb -0.14 -3.67 -0.04 0.00 -0.80 0.00 0.00 34.13 29.47 1xxe s GLU 154 CO -0.01 -0.47 -0.02 -0.06 -1.33 0.00 0.00 175.26 173.36 1xxe s PHE 155 N 1.64 2.96 -2.66 4.83 0.40 0.33 -4.97 117.98 120.52 1xxe s PHE 155 Ca 0.05 -0.02 0.27 0.00 -0.60 0.00 0.00 56.93 56.62 1xxe s PHE 155 Cb -0.17 -1.57 0.76 0.00 0.51 0.00 0.00 43.02 42.55 1xxe s PHE 155 CO 0.08 0.45 1.58 1.63 0.70 0.00 0.00 175.22 179.66 1xxe n LYS 156 N 0.95 1.89 -0.29 0.44 4.76 -1.26 -3.71 118.16 120.94 1xxe n LYS 156 Ca -0.13 -1.29 -0.05 0.00 -2.87 0.00 0.00 58.31 53.98 1xxe n LYS 156 Cb 0.52 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 32.27 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 0.57 -0.07 0.27 4.39 0.23 -1.26 -4.85 115.26 114.54 1xxe n ASN 157 Ca 0.17 -1.04 0.12 0.00 -0.53 0.00 0.00 54.58 53.30 1xxe n ASN 157 Cb 0.44 -0.16 0.77 0.00 -2.08 0.00 0.00 39.78 38.75 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 -1.16 0.00 -0.17 -2.53 -5.15 -1.64 -2.46 116.94 103.82 1xxe h PHE 158 Ca -0.07 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.74 1xxe h PHE 158 Cb 0.19 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.32 1xxe h PHE 158 CO 0.00 0.05 -0.08 -0.07 -2.00 0.00 0.00 178.31 176.21 1xxe h LEU 159 N 0.00 -0.27 0.00 2.10 3.38 -1.89 -3.47 115.31 115.15 1xxe h LEU 159 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xxe h LEU 159 Cb 0.13 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xxe h LEU 159 CO 0.01 -0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1xxe n GLY 160 N -1.23 0.59 3.87 0.83 0.00 -0.93 -4.83 105.19 103.49 1xxe n GLY 160 Ca -0.03 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 3.53 -0.02 1.61 0.52 -1.26 -0.51 118.95 122.82 1xxe s ARG 161 Ca 0.00 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1xxe s ARG 161 Cb 0.00 -3.19 0.03 0.00 0.52 0.00 0.00 34.95 32.31 1xxe s ARG 161 CO 0.00 0.76 0.02 -0.65 0.02 0.00 0.00 175.30 175.44 1xxe s GLN 162 N -1.09 0.06 0.00 3.54 1.11 -0.63 -4.97 119.66 117.68 1xxe s GLN 162 Ca 0.17 0.13 0.07 0.00 0.01 0.00 0.00 55.36 55.74 1xxe s GLN 162 Cb -0.13 -0.29 -0.02 0.00 -1.01 0.00 0.00 33.01 31.56 1xxe s GLN 162 CO 0.07 -0.14 -0.20 0.15 0.01 0.00 0.00 175.29 175.17 1xxe s LYS 163 N 0.94 1.57 -0.03 2.91 1.02 -1.26 -1.92 119.74 122.97 1xxe s LYS 163 Ca -0.08 -0.78 -0.00 0.00 0.02 0.00 0.00 55.97 55.12 1xxe s LYS 163 Cb -0.12 -1.56 0.03 0.00 -0.52 0.00 0.00 37.83 35.66 1xxe s LYS 163 CO -0.02 0.42 0.02 0.12 -0.92 0.00 0.00 175.35 174.97 1xxe s PHE 164 N -0.56 0.25 -0.22 3.18 5.36 -0.94 -5.00 117.98 120.05 1xxe s PHE 164 Ca 0.08 0.06 -0.07 0.00 -0.96 0.00 0.00 56.93 56.04 1xxe s PHE 164 Cb -0.08 -0.44 -0.03 0.00 -0.34 0.00 0.00 43.02 42.13 1xxe s PHE 164 CO -0.00 -0.16 0.05 -0.08 -1.46 0.00 0.00 175.22 173.57 1xxe s THR 165 N 1.38 4.36 -0.14 0.12 -1.32 -1.26 -2.12 115.64 116.65 1xxe s THR 165 Ca -0.05 -0.17 -0.11 0.00 -1.21 0.00 0.00 61.69 60.15 1xxe s THR 165 Cb -0.13 -3.00 -0.05 0.00 -1.51 0.00 0.00 72.50 67.81 1xxe s THR 165 CO -0.03 0.39 0.23 0.12 -2.21 0.00 0.00 174.62 173.13 1xxe s PHE 166 N 1.12 3.51 0.04 9.09 5.36 0.67 -4.96 117.98 132.82 1xxe s PHE 166 Ca 0.04 0.56 0.03 0.00 -0.96 0.00 0.00 56.93 56.60 1xxe s PHE 166 Cb -0.14 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.32 1xxe s PHE 166 CO 0.03 0.41 -0.10 0.08 -1.46 0.00 0.00 175.22 174.18 1xxe s VAL 167 N -0.08 0.75 -0.34 3.12 1.01 -1.26 -1.80 120.40 121.81 1xxe s VAL 167 Ca 0.15 -1.04 -0.39 0.00 0.00 0.00 0.00 61.98 60.70 1xxe s VAL 167 Cb -0.13 -0.75 -0.14 0.00 0.00 0.00 0.00 36.38 35.35 1xxe s VAL 167 CO 0.03 -0.24 1.97 -0.62 0.00 0.00 0.00 175.10 176.25 1xxe n GLU 168 N 1.63 0.97 0.00 2.72 1.02 -1.18 -1.50 120.64 124.30 1xxe n GLU 168 Ca -0.21 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1xxe n GLU 168 Cb 0.55 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 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 5.54 1.40 1.07 0.62 0.00 -1.26 -4.98 105.19 107.59 1xxe n GLY 169 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.41 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 0.88 -0.18 1.61 3.02 -0.56 -4.86 115.26 115.17 1xxe n ASN 170 Ca 0.00 -2.26 -0.03 0.00 -0.03 0.00 0.00 54.58 52.26 1xxe n ASN 170 Cb 0.00 -0.31 0.17 0.00 -0.61 0.00 0.00 39.78 39.03 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 0.69 0.95 0.00 3.52 3.07 -1.94 -2.06 114.58 118.81 1xxe h GLU 171 Ca -0.13 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1xxe h GLU 171 Cb 1.63 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 1xxe h GLU 171 CO 0.06 0.79 0.07 0.93 -1.40 0.00 0.00 179.01 179.46 1xxe h GLU 172 N 0.93 0.00 -0.01 2.33 5.08 -1.98 0.58 114.58 121.51 1xxe h GLU 172 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xxe h GLU 172 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xxe h GLU 172 CO -0.02 0.00 -0.19 0.39 -1.00 0.00 0.00 179.01 178.20 1xxe n GLU 173 N -2.45 1.07 0.00 2.33 -0.58 -0.77 -4.07 120.64 116.16 1xxe n GLU 173 Ca -0.02 -0.63 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 1xxe n GLU 173 Cb 0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 -0.42 0.35 -0.07 -3.67 -5.35 0.18 -4.71 119.36 105.67 1xxe n ILE 174 Ca 0.14 -0.56 -0.04 0.00 -0.27 0.00 0.00 62.75 62.03 1xxe n ILE 174 Cb 0.35 0.95 -0.16 0.00 -1.74 0.00 0.00 39.64 39.05 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 -0.18 1.00 1.49 7.28 0.24 -1.11 -4.24 118.33 122.81 1xxe n VAL 175 Ca 0.00 -0.75 0.12 0.00 -2.04 0.00 0.00 64.34 61.67 1xxe n VAL 175 Cb 0.18 -0.36 0.50 0.00 -1.47 0.00 0.00 33.84 32.69 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 -2.63 1.24 -4.58 1.34 4.77 -1.26 -1.86 117.00 114.03 1xxe n LEU 176 Ca -0.23 -0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 54.84 1xxe n LEU 176 Cb 0.98 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.99 1xxe n LEU 176 CO 0.44 0.24 0.87 0.00 -1.33 0.00 0.00 177.39 177.60 1xxe s ALA 177 N -1.91 3.19 0.50 -1.18 0.00 -1.26 -4.88 121.76 116.22 1xxe s ALA 177 Ca 0.35 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 1xxe s ALA 177 Cb 0.18 -3.76 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 1xxe s ALA 177 CO 0.29 -2.19 0.98 -0.98 0.00 0.00 0.00 175.76 173.86 1xxe s ARG 178 N 4.09 3.98 0.76 0.00 1.70 -1.26 -4.51 118.95 123.70 1xxe s ARG 178 Ca 0.41 1.00 -0.15 0.00 -0.47 0.00 0.00 55.73 56.52 1xxe s ARG 178 Cb -0.09 -2.14 0.02 0.00 -0.57 0.00 0.00 34.95 32.17 1xxe s ARG 178 CO 0.28 -0.25 0.89 -2.37 -1.08 0.00 0.00 175.30 172.77 1xxe n THR 179 N -1.40 2.18 -4.30 4.99 5.66 -0.51 -4.79 114.28 116.10 1xxe n THR 179 Ca 0.07 -0.32 -0.16 0.00 -3.05 0.00 0.00 64.05 60.58 1xxe n THR 179 Cb 0.54 -1.01 -0.10 0.00 -1.55 0.00 0.00 70.33 68.21 1xxe n THR 179 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xxe s PHE 180 N -1.96 1.49 0.18 1.09 -0.71 -1.26 -2.23 117.98 114.58 1xxe s PHE 180 Ca 0.70 -1.23 -0.22 0.00 -1.04 0.00 0.00 56.93 55.15 1xxe s PHE 180 Cb -0.32 -0.85 0.06 0.00 -1.21 0.00 0.00 43.02 40.70 1xxe s PHE 180 CO 0.53 -0.40 0.60 0.00 -1.34 0.00 0.00 175.22 174.62 1xxe s PHE 182 N -3.79 3.31 0.57 0.00 0.08 -1.26 -0.56 117.98 116.33 1xxe s PHE 182 Ca 0.03 0.21 0.40 0.00 0.12 0.00 0.00 56.93 57.69 1xxe s PHE 182 Cb -0.02 -1.73 2.15 0.00 -0.57 0.00 0.00 43.02 42.85 1xxe s PHE 182 CO -0.09 0.56 2.29 0.38 -0.10 0.00 0.00 175.22 178.26 1xxe h ASP 183 N 3.88 0.00 0.96 1.36 2.03 -1.83 -1.33 116.42 121.50 1xxe h ASP 183 Ca -0.48 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 55.60 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 0.64 0.01 -1.07 4.11 -1.03 0.00 0.00 179.24 181.90 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.33 1xxe h TRP 184 CO 0.00 0.96 -0.96 -0.85 0.09 0.00 0.00 178.44 177.68 1xxe n GLU 185 N -3.29 0.36 0.17 0.12 0.28 -0.81 -4.28 120.64 113.18 1xxe n GLU 185 Ca -0.02 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.87 1xxe n GLU 185 Cb 0.94 -1.65 -0.07 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 0.63 -0.53 3.84 2.04 -1.34 -0.72 117.51 121.44 1xxe h ILE 186 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1xxe h ILE 186 Cb 0.79 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 1xxe h ILE 186 CO 0.00 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 177.90 1xxe h GLU 187 N -0.42 0.20 -0.31 2.37 5.08 -1.75 0.42 114.58 120.17 1xxe h GLU 187 Ca -0.02 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1xxe h GLU 187 Cb 0.36 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1xxe h GLU 187 CO 0.01 0.13 0.14 1.25 -1.00 0.00 0.00 179.01 179.54 1xxe h HIS 188 N 0.21 0.27 -0.28 4.33 2.76 -1.69 0.67 115.15 121.41 1xxe h HIS 188 Ca 0.27 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1xxe h HIS 188 Cb 0.39 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1xxe h HIS 188 CO -0.26 0.14 0.08 0.82 -1.30 0.00 0.00 177.93 177.41 1xxe h ILE 189 N 0.31 1.13 0.02 6.26 2.04 0.27 -1.74 117.51 125.80 1xxe h ILE 189 Ca 0.13 -0.45 -0.21 0.00 1.00 0.00 0.00 64.86 65.34 1xxe h ILE 189 Cb 0.06 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1xxe h ILE 189 CO -0.10 0.16 -0.97 0.11 0.00 0.00 0.00 178.15 177.35 1xxe h LYS 190 N 0.39 0.09 0.00 2.37 1.57 0.13 -1.71 116.57 119.40 1xxe h LYS 190 Ca 0.10 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1xxe h LYS 190 Cb 0.14 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1xxe h LYS 190 CO -0.01 0.98 -0.66 0.87 -0.57 0.00 0.00 179.45 180.07 1xxe h LYS 191 N 0.04 0.00 0.00 3.15 1.79 0.92 -2.82 116.57 119.65 1xxe h LYS 191 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1xxe h LYS 191 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1xxe h LYS 191 CO 0.14 0.66 0.00 1.33 -1.08 0.00 0.00 179.45 180.49 1xxe n VAL 192 N -3.58 0.00 -1.17 0.50 0.24 -0.72 -4.81 118.33 108.80 1xxe n VAL 192 Ca -0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1xxe n VAL 192 Cb 0.69 -0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.95 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 0.47 0.55 3.47 7.63 0.00 -1.06 -5.04 105.19 111.23 1xxe n GLY 193 Ca 0.03 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.62 2.61 -0.14 0.99 1.43 -0.65 -4.70 118.68 117.61 1xxe s LEU 194 Ca 0.00 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1xxe s LEU 194 Cb 0.00 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1xxe s LEU 194 CO 0.00 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1xxe n GLY 195 N -0.32 0.41 0.27 -3.19 0.00 -1.25 -3.36 105.19 97.76 1xxe n GLY 195 Ca -0.08 -0.94 0.16 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.14 -2.24 116.57 116.35 1xxe h LYS 196 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xxe h LYS 196 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xxe h LYS 196 CO 0.04 0.07 -0.54 0.41 -0.57 0.00 0.00 179.45 178.86 1xxe n GLY 197 N -0.27 -0.19 3.70 3.86 0.00 1.13 -4.64 105.19 108.78 1xxe n GLY 197 Ca -0.01 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1xxe n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxe n GLY 198 N 1.34 1.66 3.11 -0.02 0.00 0.10 -4.62 105.19 106.78 1xxe n GLY 198 Ca 0.07 0.69 -0.08 0.00 0.00 0.00 0.00 46.02 46.70 1xxe n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxe s SER 199 N 2.28 0.42 0.51 1.61 1.04 -1.26 -4.99 113.70 113.31 1xxe s SER 199 Ca 0.80 -0.99 0.21 0.00 0.48 0.00 0.00 55.95 56.45 1xxe s SER 199 Cb -0.48 0.23 1.34 0.00 0.10 0.00 0.00 66.02 67.21 1xxe s SER 199 CO 0.35 -0.63 2.10 -0.07 0.98 0.00 0.00 173.24 175.97 1xxe h LEU 200 N 3.06 0.00 -0.33 2.42 3.38 -1.94 1.56 115.31 123.46 1xxe h LEU 200 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1xxe h LEU 200 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1xxe h LEU 200 CO 0.64 0.09 0.00 0.50 0.09 0.00 0.00 178.44 179.76 1xxe h LYS 201 N 0.00 0.00 0.00 1.13 3.64 -1.97 -3.26 116.57 116.11 1xxe h LYS 201 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xxe h LYS 201 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1xxe h LYS 201 CO 0.01 0.00 -0.04 0.09 -2.27 0.00 0.00 179.45 177.25 1xxe n ASN 202 N -2.43 0.73 -3.54 4.20 5.03 -0.30 -4.66 115.26 114.29 1xxe n ASN 202 Ca 0.04 -1.47 -0.12 0.00 0.87 0.00 0.00 54.58 53.89 1xxe n ASN 202 Cb 0.37 -0.03 -0.11 0.00 -1.02 0.00 0.00 39.78 38.99 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 -0.44 -0.50 -0.37 3.41 2.01 0.52 -4.11 115.64 116.16 1xxe s THR 203 Ca 0.01 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1xxe s THR 203 Cb 0.01 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.89 1xxe s THR 203 CO 0.00 -0.02 1.36 -0.22 -0.69 0.00 0.00 174.62 175.05 1xxe s LEU 204 N 2.48 3.71 -0.20 4.42 2.96 -0.95 -4.17 118.68 126.94 1xxe s LEU 204 Ca 0.05 0.98 -0.08 0.00 -0.22 0.00 0.00 54.13 54.86 1xxe s LEU 204 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1xxe s LEU 204 CO -0.12 -1.28 0.08 -0.69 -1.32 0.00 0.00 176.35 173.02 1xxe s VAL 205 N 4.94 4.83 0.04 1.68 1.01 -1.26 -0.38 120.40 131.26 1xxe s VAL 205 Ca 0.59 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1xxe s VAL 205 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1xxe s VAL 205 CO 0.29 0.43 -0.06 -0.76 0.00 0.00 0.00 175.10 175.00 1xxe s LEU 206 N 0.58 3.22 0.14 3.92 1.43 0.27 -2.75 118.68 125.49 1xxe s LEU 206 Ca 0.04 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1xxe s LEU 206 Cb -0.13 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1xxe s LEU 206 CO 0.01 0.24 0.24 -0.83 0.23 0.00 0.00 176.35 176.25 1xxe s GLY 207 N -1.73 1.78 0.59 -3.19 0.00 0.39 -2.28 107.32 102.88 1xxe s GLY 207 Ca 0.20 -1.04 0.30 0.00 0.00 0.00 0.00 44.72 44.17 1xxe s GLY 207 CO 0.11 -1.04 1.63 0.07 0.00 0.00 0.00 173.10 173.87 1xxe h LYS 208 N 2.34 0.00 0.00 2.90 2.10 -1.99 -2.84 116.57 119.08 1xxe h LYS 208 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1xxe h LYS 208 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1xxe h LYS 208 CO 0.68 0.00 -0.02 -0.40 -2.00 0.00 0.00 179.45 177.72 1xxe n ASP 209 N -3.55 0.00 -3.94 7.07 5.75 -1.26 -1.82 116.55 118.79 1xxe n ASP 209 Ca 0.17 -1.04 -0.10 0.00 -0.01 0.00 0.00 54.79 53.82 1xxe n ASP 209 Cb 1.13 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 41.10 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 0.31 -0.23 0.11 1.02 -1.07 -5.03 119.74 114.85 1xxe s LYS 210 Ca 0.00 -0.48 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 1xxe s LYS 210 Cb 0.00 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 1xxe s LYS 210 CO 0.00 -0.06 0.34 0.08 -0.92 0.00 0.00 175.35 174.79 1xxe s VAL 211 N -1.25 5.22 -0.06 3.17 1.01 -1.26 0.15 120.40 127.38 1xxe s VAL 211 Ca -0.14 0.56 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 1xxe s VAL 211 Cb -0.08 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.48 1xxe s VAL 211 CO -0.00 0.24 0.81 1.88 0.00 0.00 0.00 175.10 178.03 1xxe h TYR 212 N 7.65 -0.20 -3.14 5.22 -1.99 -1.86 -3.44 116.97 119.21 1xxe h TYR 212 Ca -0.35 -0.00 -0.54 0.00 2.00 0.00 0.00 58.73 59.84 1xxe h TYR 212 Cb 1.16 0.07 0.08 0.00 2.00 0.00 0.00 36.73 40.04 1xxe h TYR 212 CO 0.70 0.23 0.88 0.09 -0.00 0.00 0.00 178.16 180.07 1xxe n ASN 213 N -4.91 3.81 0.00 3.88 4.13 -1.26 -4.85 115.26 116.06 1xxe n ASN 213 Ca -0.07 1.13 0.09 0.00 1.68 0.00 0.00 54.58 57.41 1xxe n ASN 213 Cb 0.26 -1.58 0.43 0.00 -1.54 0.00 0.00 39.78 37.35 1xxe n ASN 213 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1xxe n PRO 214 N 2.42 0.16 0.00 3.52 -0.04 -1.26 -2.79 135.00 137.01 1xxe n PRO 214 Ca 0.10 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1xxe n PRO 214 Cb 0.36 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.77 1xxe n PRO 214 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xxe n GLU 215 N -1.37 0.35 0.00 0.54 2.13 -1.26 -5.04 120.64 115.99 1xxe n GLU 215 Ca 0.07 -0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1xxe n GLU 215 Cb 0.17 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 1.41 -0.10 3.88 8.31 0.00 -1.12 -4.76 105.19 112.81 1xxe n GLY 216 Ca 0.10 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 4.37 0.04 0.99 1.43 -1.26 -4.98 118.68 119.28 1xxe s LEU 217 Ca 0.00 0.65 0.21 0.00 -1.03 0.00 0.00 54.13 53.96 1xxe s LEU 217 Cb 0.00 -2.72 -0.21 0.00 0.03 0.00 0.00 46.19 43.29 1xxe s LEU 217 CO 0.00 0.25 0.66 -1.14 0.23 0.00 0.00 176.35 176.34 1xxe n ARG 218 N 1.16 0.64 -3.76 1.70 3.00 -1.26 -4.89 116.66 113.25 1xxe n ARG 218 Ca -0.11 -0.05 -0.15 0.00 -0.00 0.00 0.00 57.85 57.54 1xxe n ARG 218 Cb 0.53 -1.64 -0.16 0.00 0.00 0.00 0.00 32.46 31.18 1xxe n ARG 218 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1xxe s TYR 219 N -3.35 0.03 -0.51 -0.14 2.02 -1.26 -4.98 117.35 109.15 1xxe s TYR 219 Ca -0.05 0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.82 1xxe s TYR 219 Cb 0.12 -0.25 0.16 0.00 -0.40 0.00 0.00 41.96 41.59 1xxe s TYR 219 CO 0.86 -0.10 0.93 -1.91 -1.57 0.00 0.00 175.55 173.77 1xxe n GLU 220 N 4.25 0.02 -1.91 -0.62 2.13 -1.26 0.42 120.64 123.67 1xxe n GLU 220 Ca -0.27 0.38 -0.02 0.00 0.66 0.00 0.00 57.16 57.91 1xxe n GLU 220 Cb 0.50 -1.76 0.06 0.00 0.27 0.00 0.00 31.44 30.51 1xxe n GLU 220 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1xxe n ASN 221 N -1.48 2.03 0.28 4.31 4.13 -1.26 -4.91 115.26 118.36 1xxe n ASN 221 Ca -0.00 -2.64 -0.16 0.00 1.68 0.00 0.00 54.58 53.46 1xxe n ASN 221 Cb 0.20 -0.41 -0.08 0.00 -1.54 0.00 0.00 39.78 37.95 1xxe n ASN 221 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1xxe h GLU 222 N 1.77 -0.68 -0.76 3.52 4.81 -0.42 0.20 114.58 123.03 1xxe h GLU 222 Ca -0.05 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xxe h GLU 222 Cb 1.47 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.97 1xxe h GLU 222 CO 0.23 -0.45 0.46 -1.00 -0.73 0.00 0.00 179.01 177.52 1xxe h PRO 223 N -0.71 1.02 0.00 0.92 0.13 -1.89 -0.74 132.00 130.74 1xxe h PRO 223 Ca -0.06 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.89 1xxe h PRO 223 Cb 0.56 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1xxe h PRO 223 CO 0.08 0.72 -0.45 -0.39 -0.23 0.00 0.00 178.00 177.73 1xxe h VAL 224 N 1.03 0.86 -0.37 1.56 -1.51 -1.92 -2.64 116.25 113.26 1xxe h VAL 224 Ca 0.27 -1.95 -0.07 0.00 -1.23 0.00 0.00 66.70 63.72 1xxe h VAL 224 Cb -0.05 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1xxe h VAL 224 CO -0.05 0.44 -0.06 0.03 -1.23 0.00 0.00 177.57 176.71 1xxe h ARG 225 N 0.00 0.69 -0.76 5.19 3.08 0.05 -1.91 114.38 120.73 1xxe h ARG 225 Ca -0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1xxe h ARG 225 Cb 1.20 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1xxe h ARG 225 CO 0.06 0.83 0.37 1.25 -1.07 0.00 0.00 179.97 181.41 1xxe h HIS 226 N 0.49 1.09 -0.49 3.04 2.76 -1.06 -0.27 115.15 120.71 1xxe h HIS 226 Ca 0.10 -0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 1xxe h HIS 226 Cb 0.55 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 1xxe h HIS 226 CO 0.05 0.79 0.21 0.87 -1.30 0.00 0.00 177.93 178.55 1xxe h LYS 227 N 1.06 0.41 0.10 5.26 1.79 -1.14 0.25 116.57 124.30 1xxe h LYS 227 Ca 0.26 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1xxe h LYS 227 Cb 0.11 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1xxe h LYS 227 CO -0.03 0.27 -0.05 0.28 -1.08 0.00 0.00 179.45 178.84 1xxe h VAL 228 N 0.42 0.92 -1.00 0.50 2.07 -0.74 0.29 116.25 118.71 1xxe h VAL 228 Ca 0.22 -0.08 0.21 0.00 0.82 0.00 0.00 66.70 67.87 1xxe h VAL 228 Cb 0.18 0.98 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1xxe h VAL 228 CO -0.19 0.02 0.61 0.15 0.02 0.00 0.00 177.57 178.18 1xxe h PHE 229 N -0.17 1.04 -0.24 1.57 3.57 -0.23 0.19 116.94 122.66 1xxe h PHE 229 Ca -0.01 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1xxe h PHE 229 Cb 0.14 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1xxe h PHE 229 CO -0.06 0.19 -0.62 -0.44 -2.23 0.00 0.00 178.31 175.14 1xxe h ASP 230 N 0.71 0.95 -0.64 0.41 5.19 0.42 -2.60 116.42 120.86 1xxe h ASP 230 Ca 0.60 -0.54 0.06 0.00 -0.62 0.00 0.00 57.03 56.52 1xxe h ASP 230 Cb 1.00 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.20 1xxe h ASP 230 CO -0.40 1.34 0.42 0.25 -3.12 0.00 0.00 179.24 177.73 1xxe h LEU 231 N 0.62 0.57 -0.03 1.55 5.85 0.26 -1.38 115.31 122.75 1xxe h LEU 231 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xxe h LEU 231 Cb 1.24 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1xxe h LEU 231 CO 0.13 0.38 -0.06 0.40 -0.34 0.00 0.00 178.44 178.96 1xxe h ILE 232 N 0.66 1.43 -1.05 4.05 2.04 -1.18 -1.65 117.51 121.80 1xxe h ILE 232 Ca 0.27 -1.35 0.29 0.00 1.00 0.00 0.00 64.86 65.07 1xxe h ILE 232 Cb 0.24 2.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 1xxe h ILE 232 CO -0.08 0.36 0.73 1.23 0.00 0.00 0.00 178.15 180.39 1xxe h GLY 233 N -0.43 0.39 1.72 5.37 0.00 -0.94 0.76 103.07 109.95 1xxe h GLY 233 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 1xxe h GLY 233 CO 0.01 -0.04 -0.92 -0.55 0.00 0.00 0.00 176.54 175.04 1xxe h ASP 234 N 0.14 0.00 1.34 0.19 5.19 -1.00 -3.29 116.42 118.98 1xxe h ASP 234 Ca 0.53 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.84 1xxe h ASP 234 Cb 1.83 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.33 1xxe h ASP 234 CO -0.10 0.70 -0.69 -0.07 -3.12 0.00 0.00 179.24 175.97 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.13 -3.16 115.31 117.22 1xxe h LEU 235 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xxe h LEU 235 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1xxe h LEU 235 CO 0.08 0.43 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1xxe n TYR 236 N -3.10 0.00 -0.13 1.13 9.36 0.87 -2.72 117.16 122.57 1xxe n TYR 236 Ca -0.00 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.47 1xxe n TYR 236 Cb 0.72 -0.43 0.70 0.00 -0.63 0.00 0.00 39.34 39.71 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 0.02 0.00 2.98 3.38 -1.69 0.49 115.31 120.50 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 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xxe h LEU 237 CO 0.00 0.01 0.10 0.18 0.09 0.00 0.00 178.44 178.82 1xxe n LEU 238 N -4.31 0.00 -0.31 1.67 4.77 -1.10 -3.88 117.00 113.83 1xxe n LEU 238 Ca 0.16 0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 56.39 1xxe n LEU 238 Cb 0.84 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1xxe n LEU 238 CO 0.38 -0.29 -0.04 0.61 -1.33 0.00 0.00 177.39 176.72 1xxe n GLY 239 N -1.27 0.65 3.52 -0.72 0.00 0.17 -4.97 105.19 102.57 1xxe n GLY 239 Ca 0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.44 -0.63 0.12 1.61 1.04 -1.25 -4.85 113.70 107.30 1xxe s SER 240 Ca 0.00 0.99 -0.34 0.00 0.48 0.00 0.00 55.95 57.08 1xxe s SER 240 Cb 0.00 0.95 -0.18 0.00 0.10 0.00 0.00 66.02 66.89 1xxe s SER 240 CO 0.00 -0.39 0.91 -2.65 0.98 0.00 0.00 173.24 172.09 1xxe n PRO 241 N 1.92 0.33 -3.62 4.02 -0.02 -1.26 -4.64 135.00 131.72 1xxe n PRO 241 Ca -0.16 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.07 1xxe n PRO 241 Cb 0.56 -1.44 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.40 5.35 -0.15 -1.45 1.01 -1.26 -1.73 120.40 121.77 1xxe s VAL 242 Ca 0.77 0.37 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1xxe s VAL 242 Cb -1.04 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1xxe s VAL 242 CO 0.55 0.40 -0.18 -0.54 0.00 0.00 0.00 175.10 175.33 1xxe s LYS 243 N 0.49 3.12 0.00 2.72 -0.14 0.18 -4.65 119.74 121.46 1xxe s LYS 243 Ca 0.12 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.93 1xxe s LYS 243 Cb -0.12 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 1xxe s LYS 243 CO 0.01 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 174.99 1xxe n GLY 244 N 4.13 -1.85 3.71 -3.33 0.00 -1.21 -1.99 105.19 104.65 1xxe n GLY 244 Ca -0.20 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.80 3.25 0.00 1.61 2.20 0.13 -2.00 119.74 123.14 1xxe s LYS 245 Ca 0.00 -0.34 -0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1xxe s LYS 245 Cb 0.00 -2.94 -0.01 0.00 -1.51 0.00 0.00 37.83 33.37 1xxe s LYS 245 CO 0.00 0.64 -0.00 -0.06 -0.36 0.00 0.00 175.35 175.57 1xxe s PHE 246 N -0.68 0.08 0.03 4.03 0.40 -0.58 -0.05 117.98 121.21 1xxe s PHE 246 Ca 0.11 -0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.34 1xxe s PHE 246 Cb -0.12 -0.06 -0.02 0.00 0.51 0.00 0.00 43.02 43.33 1xxe s PHE 246 CO 0.02 -0.07 -0.18 -0.47 0.70 0.00 0.00 175.22 175.22 1xxe s TYR 247 N -0.50 1.62 -0.03 0.36 6.14 0.27 -0.78 117.35 124.44 1xxe s TYR 247 Ca -0.06 -0.35 -0.01 0.00 0.64 0.00 0.00 57.07 57.29 1xxe s TYR 247 Cb -0.03 -0.98 0.03 0.00 0.42 0.00 0.00 41.96 41.40 1xxe s TYR 247 CO -0.00 0.06 0.04 0.45 0.64 0.00 0.00 175.55 176.74 1xxe s SER 248 N -1.04 0.33 -0.28 4.32 0.15 0.27 -1.34 113.70 116.12 1xxe s SER 248 Ca 0.06 0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 1xxe s SER 248 Cb -0.08 -0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 1xxe s SER 248 CO 0.01 -0.16 0.02 0.12 1.20 0.00 0.00 173.24 174.43 1xxe s PHE 249 N 1.36 3.13 -1.26 3.44 5.36 -0.16 0.25 117.98 130.10 1xxe s PHE 249 Ca -0.05 -1.32 -0.14 0.00 -0.96 0.00 0.00 56.93 54.46 1xxe s PHE 249 Cb -0.13 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.39 1xxe s PHE 249 CO -0.03 -0.67 0.61 0.54 -1.46 0.00 0.00 175.22 174.21 1xxe n ARG 250 N 4.76 -1.89 -2.64 10.12 5.12 -0.27 -2.29 116.66 129.58 1xxe n ARG 250 Ca -0.15 0.37 -0.40 0.00 -1.93 0.00 0.00 57.85 55.75 1xxe n ARG 250 Cb 0.47 -4.05 -0.05 0.00 -1.16 0.00 0.00 32.46 27.67 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 3.06 0.48 -0.13 0.00 -1.26 -4.32 107.32 101.29 1xxe s GLY 251 Ca 0.28 0.73 0.06 0.00 0.00 0.00 0.00 44.72 45.79 1xxe s GLY 251 CO 0.89 1.29 0.31 -0.32 0.00 0.00 0.00 173.10 175.27 1xxe s GLY 252 N -1.11 2.35 0.12 0.20 0.00 -1.26 -5.00 107.32 102.63 1xxe s GLY 252 Ca 0.44 -1.59 -0.13 0.00 0.00 0.00 0.00 44.72 43.43 1xxe s GLY 252 CO 0.35 -1.90 1.49 0.45 0.00 0.00 0.00 173.10 173.49 1xxe h HIS 253 N 1.05 0.93 0.43 1.90 3.86 -1.95 -2.15 115.15 119.21 1xxe h HIS 253 Ca -0.40 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 58.55 1xxe h HIS 253 Cb 1.28 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1xxe h HIS 253 CO 0.81 0.99 -0.21 0.66 0.86 0.00 0.00 177.93 181.05 1xxe h SER 254 N 0.60 -0.49 -0.99 2.45 4.64 -1.89 -2.40 113.55 115.47 1xxe h SER 254 Ca 0.08 -0.07 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 1xxe h SER 254 Cb 0.76 0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.88 1xxe h SER 254 CO 0.06 -0.21 0.61 0.25 -0.87 0.00 0.00 176.83 176.67 1xxe h LEU 255 N -0.76 0.73 0.46 5.97 5.85 -1.95 -1.19 115.31 124.41 1xxe h LEU 255 Ca -0.06 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1xxe h LEU 255 Cb 0.53 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1xxe h LEU 255 CO 0.10 0.28 -0.28 0.78 -0.34 0.00 0.00 178.44 178.98 1xxe h ASN 256 N 0.72 -0.70 -0.84 1.25 2.35 -1.11 -2.21 115.58 115.05 1xxe h ASN 256 Ca 0.55 0.04 0.18 0.00 -0.55 0.00 0.00 56.30 56.52 1xxe h ASN 256 Cb 0.91 0.21 -0.11 0.00 0.05 0.00 0.00 38.32 39.38 1xxe h ASN 256 CO -0.33 -0.44 0.36 0.58 -1.65 0.00 0.00 177.43 175.94 1xxe h VAL 257 N -0.70 0.57 -0.32 2.81 2.07 -0.74 0.46 116.25 120.40 1xxe h VAL 257 Ca -0.05 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1xxe h VAL 257 Cb 0.57 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1xxe h VAL 257 CO 0.05 0.08 0.04 0.11 0.02 0.00 0.00 177.57 177.87 1xxe h LYS 258 N 0.44 0.14 -0.79 1.57 1.57 -0.83 0.62 116.57 119.30 1xxe h LYS 258 Ca 0.49 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.39 1xxe h LYS 258 Cb 0.84 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 1xxe h LYS 258 CO -0.47 0.09 0.38 1.25 -0.57 0.00 0.00 179.45 180.14 1xxe h LEU 259 N 0.14 0.45 -0.13 2.94 5.85 -0.35 0.96 115.31 125.18 1xxe h LEU 259 Ca 0.15 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1xxe h LEU 259 Cb 0.18 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1xxe h LEU 259 CO -0.22 0.21 -0.23 0.58 -0.34 0.00 0.00 178.44 178.44 1xxe h VAL 260 N 0.58 1.37 -0.19 1.05 2.07 -0.62 -2.38 116.25 118.13 1xxe h VAL 260 Ca 0.42 -1.48 0.05 0.00 0.82 0.00 0.00 66.70 66.51 1xxe h VAL 260 Cb 0.56 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 1xxe h VAL 260 CO -0.34 0.43 -0.14 0.11 0.02 0.00 0.00 177.57 177.65 1xxe h LYS 261 N -0.02 -0.13 0.14 1.57 1.57 0.13 0.50 116.57 120.32 1xxe h LYS 261 Ca 0.01 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xxe h LYS 261 Cb 0.81 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1xxe h LYS 261 CO 0.05 -0.09 -0.07 0.93 -0.57 0.00 0.00 179.45 179.70 1xxe h GLU 262 N -0.14 -0.19 -0.68 3.15 5.08 -0.89 0.13 114.58 121.04 1xxe h GLU 262 Ca 0.11 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1xxe h GLU 262 Cb 0.31 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1xxe h GLU 262 CO -0.27 -0.08 0.38 -0.07 -1.00 0.00 0.00 179.01 177.96 1xxe h LEU 263 N -0.24 0.56 -0.94 1.33 3.38 -1.00 0.85 115.31 119.25 1xxe h LEU 263 Ca -0.02 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1xxe h LEU 263 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1xxe h LEU 263 CO 0.03 0.36 -0.37 0.00 0.09 0.00 0.00 178.44 178.55 1xxe h ALA 264 N 1.35 1.10 0.00 1.53 0.00 0.30 -2.01 119.26 121.54 1xxe h ALA 264 Ca 0.31 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1xxe h ALA 264 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xxe h ALA 264 CO -0.19 0.58 -0.70 0.87 0.00 0.00 0.00 179.25 179.81 1xxe h LYS 265 N 0.26 0.00 -0.11 0.00 1.57 0.21 -2.95 116.57 115.56 1xxe h LYS 265 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1xxe h LYS 265 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1xxe h LYS 265 CO 0.06 0.24 -0.29 0.87 -0.57 0.00 0.00 179.45 179.76 1xxe h LYS 266 N 0.00 0.39 -0.37 3.15 1.57 1.00 -3.10 116.57 119.21 1xxe h LYS 266 Ca -0.04 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1xxe h LYS 266 Cb 1.27 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1xxe h LYS 266 CO 0.03 0.89 0.00 1.04 -0.57 0.00 0.00 179.45 180.84 1xxe n GLN 267 N -4.42 1.86 0.00 3.15 3.00 -0.78 -4.11 117.38 116.07 1xxe n GLN 267 Ca -0.07 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.63 1xxe n GLN 267 Cb 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 30.24 29.42 1xxe n GLN 267 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xxe n LYS 268 N 0.53 0.00 -0.02 -1.09 4.76 -1.11 -4.77 118.16 116.46 1xxe n LYS 268 Ca 0.12 0.03 -0.01 0.00 -2.87 0.00 0.00 58.31 55.58 1xxe n LYS 268 Cb 0.31 -0.69 -0.00 0.00 -1.84 0.00 0.00 35.03 32.81 1xxe n LYS 268 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1xxe h LEU 269 N 0.00 0.00 0.00 -0.35 3.38 -1.78 -3.52 115.31 113.04 1xxe h LEU 269 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 269 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xxe h LEU 269 CO 0.00 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.07