#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 0.20 -4.54 3.23 -0.58 0.73 -4.62 120.64 115.07 1xxe n GLU 4 Ca 0.00 0.07 -0.33 0.00 -0.42 0.00 0.00 57.16 56.48 1xxe n GLU 4 Cb 0.00 -1.60 -0.14 0.00 -0.57 0.00 0.00 31.44 29.13 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 0.43 3.41 0.30 3.49 2.36 -1.26 0.32 119.74 128.77 1xxe s LYS 5 Ca 0.91 -0.66 0.03 0.00 -2.55 0.00 0.00 55.97 53.70 1xxe s LYS 5 Cb -1.24 -2.74 -0.04 0.00 -1.05 0.00 0.00 37.83 32.76 1xxe s LYS 5 CO 0.58 0.12 0.14 -0.08 1.55 0.00 0.00 175.35 177.66 1xxe s THR 6 N 0.60 0.41 0.06 3.43 -1.32 -0.93 -2.02 115.64 115.87 1xxe s THR 6 Ca -0.06 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.15 1xxe s THR 6 Cb -0.15 -2.54 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 1xxe s THR 6 CO 0.03 0.00 0.84 0.68 -2.21 0.00 0.00 174.62 173.96 1xxe s VAL 7 N -3.63 4.69 0.13 5.08 -7.23 -1.26 -1.07 120.40 117.10 1xxe s VAL 7 Ca 0.36 1.79 -0.19 0.00 -1.81 0.00 0.00 61.98 62.13 1xxe s VAL 7 Cb 0.06 -4.19 -0.06 0.00 0.56 0.00 0.00 36.38 32.75 1xxe s VAL 7 CO 0.16 0.33 1.76 0.50 -0.31 0.00 0.00 175.10 177.54 1xxe h LYS 8 N 5.80 0.20 -4.89 4.82 3.64 -0.37 -3.42 116.57 122.36 1xxe h LYS 8 Ca -0.43 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 58.63 1xxe h LYS 8 Cb 1.21 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.84 1xxe h LYS 8 CO 0.72 0.14 -0.68 -1.83 -2.27 0.00 0.00 179.45 175.53 1xxe s GLU 9 N -6.18 1.10 0.20 1.90 -1.05 -1.26 -4.97 118.70 108.43 1xxe s GLU 9 Ca -0.13 -1.51 -0.31 0.00 -0.15 0.00 0.00 54.97 52.87 1xxe s GLU 9 Cb 0.09 -0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 33.29 1xxe s GLU 9 CO 0.69 -0.07 1.48 0.21 0.95 0.00 0.00 175.26 178.53 1xxe s LYS 10 N -3.86 4.25 0.33 -4.83 2.36 -1.26 -4.80 119.74 111.93 1xxe s LYS 10 Ca 0.21 2.29 0.10 0.00 -2.55 0.00 0.00 55.97 56.02 1xxe s LYS 10 Cb 0.05 -3.15 -0.06 0.00 -1.05 0.00 0.00 37.83 33.63 1xxe s LYS 10 CO 0.03 -0.50 -0.05 -0.51 1.55 0.00 0.00 175.35 175.87 1xxe s LEU 11 N 0.45 2.86 -0.06 5.43 1.43 -0.72 -4.95 118.68 123.12 1xxe s LEU 11 Ca 0.64 -1.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 1xxe s LEU 11 Cb -0.42 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1xxe s LEU 11 CO 0.36 -0.18 0.44 -0.94 0.23 0.00 0.00 176.35 176.26 1xxe s SER 12 N -3.65 -0.38 0.16 2.29 1.04 -1.26 -0.72 113.70 111.18 1xxe s SER 12 Ca 0.33 0.45 0.04 0.00 0.48 0.00 0.00 55.95 57.25 1xxe s SER 12 Cb -0.00 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1xxe s SER 12 CO 0.18 -0.42 -0.07 -0.36 0.98 0.00 0.00 173.24 173.55 1xxe s PHE 13 N -0.92 1.30 -0.11 5.02 0.40 -0.32 -4.95 117.98 118.40 1xxe s PHE 13 Ca -0.10 -0.83 -0.08 0.00 -0.60 0.00 0.00 56.93 55.33 1xxe s PHE 13 Cb -0.03 -0.69 0.04 0.00 0.51 0.00 0.00 43.02 42.84 1xxe s PHE 13 CO 0.05 0.02 0.27 -1.83 0.70 0.00 0.00 175.22 174.43 1xxe s GLU 14 N -3.79 0.27 0.00 0.44 -1.05 -1.26 -1.08 118.70 112.23 1xxe s GLU 14 Ca 0.19 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.49 1xxe s GLU 14 Cb 0.04 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1xxe s GLU 14 CO 0.02 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.54 1xxe n GLY 15 N 3.60 1.67 3.81 -3.83 0.00 -0.70 -4.98 105.19 104.77 1xxe n GLY 15 Ca -0.19 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 3.42 -0.00 1.61 0.11 -1.26 -2.07 120.40 120.20 1xxe s VAL 16 Ca 0.00 0.46 -0.15 0.00 -2.93 0.00 0.00 61.98 59.36 1xxe s VAL 16 Cb 0.00 -3.20 -0.06 0.00 -1.53 0.00 0.00 36.38 31.59 1xxe s VAL 16 CO 0.00 -0.60 0.40 -0.83 -3.33 0.00 0.00 175.10 170.74 1xxe s GLY 17 N -3.86 2.47 0.11 6.54 0.00 -0.68 -1.12 107.32 110.78 1xxe s GLY 17 Ca 0.60 -0.23 -0.23 0.00 0.00 0.00 0.00 44.72 44.86 1xxe s GLY 17 CO 0.54 0.13 1.71 1.19 0.00 0.00 0.00 173.10 176.68 1xxe h ILE 18 N 3.71 0.81 0.14 0.90 2.10 -1.82 0.37 117.51 123.72 1xxe h ILE 18 Ca -0.52 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.09 1xxe h ILE 18 Cb 1.22 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.76 1xxe h ILE 18 CO 0.61 0.00 -1.72 0.45 -1.08 0.00 0.00 178.15 176.41 1xxe h HIS 19 N -0.10 0.52 -0.06 2.19 -0.00 -1.88 3.44 115.15 119.25 1xxe h HIS 19 Ca 0.04 -0.38 -0.19 0.00 -0.00 0.00 0.00 60.37 59.84 1xxe h HIS 19 Cb 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1xxe h HIS 19 CO -0.15 1.54 -0.76 1.79 -0.00 0.00 0.00 177.93 180.35 1xxe h THR 20 N 0.08 1.40 -0.98 2.45 1.35 -1.93 -2.18 112.91 113.10 1xxe h THR 20 Ca -0.32 -2.22 -0.33 0.00 -0.55 0.00 0.00 66.41 62.99 1xxe h THR 20 Cb 2.05 2.18 -0.12 0.00 -1.73 0.00 0.00 68.15 70.53 1xxe h THR 20 CO 0.15 0.66 -0.32 0.61 -0.25 0.00 0.00 175.52 176.37 1xxe n GLY 21 N 0.61 1.38 3.66 5.82 0.00 0.13 -4.63 105.19 112.17 1xxe n GLY 21 Ca -0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.57 2.45 0.15 1.61 0.41 -1.26 -4.77 118.70 113.71 1xxe s GLU 22 Ca 0.00 -0.88 -0.30 0.00 -0.41 0.00 0.00 54.97 53.37 1xxe s GLU 22 Cb 0.00 -2.48 -0.08 0.00 -1.78 0.00 0.00 34.13 29.79 1xxe s GLU 22 CO 0.00 0.53 1.29 -0.47 -0.49 0.00 0.00 175.26 176.13 1xxe s TYR 23 N -1.29 3.32 0.05 1.61 5.04 -1.26 -1.68 117.35 123.13 1xxe s TYR 23 Ca 0.25 1.19 -0.01 0.00 -2.44 0.00 0.00 57.07 56.06 1xxe s TYR 23 Cb -0.12 -3.56 -0.04 0.00 0.35 0.00 0.00 41.96 38.60 1xxe s TYR 23 CO 0.17 -1.80 -0.03 0.45 -1.34 0.00 0.00 175.55 173.00 1xxe s SER 24 N 0.65 0.48 0.09 4.32 0.15 -0.88 -4.84 113.70 113.68 1xxe s SER 24 Ca 0.59 -0.88 0.03 0.00 0.70 0.00 0.00 55.95 56.39 1xxe s SER 24 Cb -0.35 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1xxe s SER 24 CO 0.34 -0.51 -0.09 -0.75 1.20 0.00 0.00 173.24 173.42 1xxe s LYS 25 N -3.30 0.81 0.04 5.44 2.20 -0.80 -1.71 119.74 122.42 1xxe s LYS 25 Ca 0.02 -1.13 0.04 0.00 -0.36 0.00 0.00 55.97 54.54 1xxe s LYS 25 Cb 0.03 -0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 35.86 1xxe s LYS 25 CO -0.07 0.07 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.34 1xxe s LEU 26 N -2.41 2.19 -0.06 5.43 1.43 -0.24 -0.82 118.68 124.21 1xxe s LEU 26 Ca 0.04 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1xxe s LEU 26 Cb -0.03 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 45.69 1xxe s LEU 26 CO -0.01 -0.01 -0.00 -0.63 0.23 0.00 0.00 176.35 175.93 1xxe s ILE 27 N -0.95 0.34 -0.20 -0.59 1.01 -0.59 -1.18 121.20 119.05 1xxe s ILE 27 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 1xxe s ILE 27 Cb -0.08 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 1xxe s ILE 27 CO 0.01 0.23 -0.05 -0.63 0.00 0.00 0.00 174.94 174.49 1xxe s ILE 28 N 1.58 3.40 -0.04 2.92 1.01 0.10 0.22 121.20 130.40 1xxe s ILE 28 Ca -0.01 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.20 1xxe s ILE 28 Cb -0.13 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1xxe s ILE 28 CO -0.03 0.45 -0.22 -1.00 0.00 0.00 0.00 174.94 174.14 1xxe s HIS 29 N 1.14 2.47 1.00 3.97 3.76 -0.91 -1.75 115.29 124.97 1xxe s HIS 29 Ca 0.02 -0.39 -0.14 0.00 -0.15 0.00 0.00 55.06 54.40 1xxe s HIS 29 Cb -0.14 -1.56 0.08 0.00 1.11 0.00 0.00 32.58 32.06 1xxe s HIS 29 CO -0.01 0.01 0.42 -2.30 -0.85 0.00 0.00 174.74 172.01 1xxe n PRO 30 N 2.48 -0.71 -2.38 8.40 -0.02 -1.26 -2.14 135.00 139.37 1xxe n PRO 30 Ca -0.17 -0.17 -0.04 0.00 -2.02 0.00 0.00 63.50 61.11 1xxe n PRO 30 Cb 0.52 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 1xxe n PRO 30 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xxe n GLU 31 N -2.20 0.42 -3.24 -0.52 -0.58 -1.26 -4.67 120.64 108.59 1xxe n GLU 31 Ca 0.06 -0.55 -0.27 0.00 -0.42 0.00 0.00 57.16 55.97 1xxe n GLU 31 Cb 0.55 0.38 -0.02 0.00 -0.57 0.00 0.00 31.44 31.78 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 -2.23 3.59 0.47 3.49 2.20 -1.26 -4.97 119.74 121.04 1xxe s LYS 32 Ca 0.05 -0.03 -0.22 0.00 -0.36 0.00 0.00 55.97 55.41 1xxe s LYS 32 Cb 0.00 -2.61 -0.10 0.00 -1.51 0.00 0.00 37.83 33.62 1xxe s LYS 32 CO 0.04 0.14 0.77 0.39 -0.36 0.00 0.00 175.35 176.33 1xxe n GLU 33 N -1.30 0.89 -1.86 4.03 4.71 -1.26 -2.01 120.64 123.84 1xxe n GLU 33 Ca -0.02 0.33 -0.17 0.00 -0.01 0.00 0.00 57.16 57.29 1xxe n GLU 33 Cb 0.55 -1.83 -0.04 0.00 -1.01 0.00 0.00 31.44 29.10 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 1.49 0.78 0.10 0.62 0.00 -1.26 -4.90 105.19 102.02 1xxe n GLY 34 Ca 0.11 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 1.48 0.00 2.61 2.02 -1.76 -3.51 112.91 113.75 1xxe h THR 35 Ca -0.37 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.38 1xxe h THR 35 Cb 1.18 3.12 0.00 0.00 -1.74 0.00 0.00 68.15 70.71 1xxe h THR 35 CO 0.49 0.65 0.00 0.61 0.37 0.00 0.00 175.52 177.64 1xxe n GLY 36 N 1.65 -2.69 3.64 2.16 0.00 -1.26 -4.91 105.19 103.78 1xxe n GLY 36 Ca -0.16 -2.11 -0.39 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 -0.47 5.18 -0.01 -0.61 -1.09 -1.13 -2.35 121.20 120.72 1xxe s ILE 37 Ca 0.00 0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 59.07 1xxe s ILE 37 Cb 0.00 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1xxe s ILE 37 CO 0.00 0.20 0.03 0.00 -1.23 0.00 0.00 174.94 173.94 1xxe s ARG 38 N 1.71 0.01 0.17 2.79 1.70 -1.06 -1.99 118.95 122.28 1xxe s ARG 38 Ca 0.17 0.08 0.01 0.00 -0.47 0.00 0.00 55.73 55.52 1xxe s ARG 38 Cb -0.15 -0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.13 1xxe s ARG 38 CO 0.09 -0.05 0.33 -0.06 -1.08 0.00 0.00 175.30 174.53 1xxe s PHE 39 N 0.31 3.49 -0.02 5.89 0.08 -0.62 -1.55 117.98 125.55 1xxe s PHE 39 Ca -0.02 0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.28 1xxe s PHE 39 Cb -0.04 -1.75 -0.00 0.00 -0.57 0.00 0.00 43.02 40.66 1xxe s PHE 39 CO -0.01 0.46 -0.12 0.12 -0.10 0.00 0.00 175.22 175.57 1xxe s PHE 40 N -1.79 1.19 -0.28 0.36 2.19 -0.69 0.47 117.98 119.42 1xxe s PHE 40 Ca 0.36 -0.29 -0.22 0.00 0.33 0.00 0.00 56.93 57.11 1xxe s PHE 40 Cb -0.11 -0.81 0.12 0.00 -1.31 0.00 0.00 43.02 40.91 1xxe s PHE 40 CO 0.29 -0.09 0.98 0.21 1.83 0.00 0.00 175.22 178.44 1xxe s LYS 41 N 0.00 0.50 -1.80 10.12 2.20 -0.69 -1.09 119.74 128.98 1xxe s LYS 41 Ca -0.01 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1xxe s LYS 41 Cb -0.08 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1xxe s LYS 41 CO 0.01 -0.07 0.00 0.09 -0.36 0.00 0.00 175.35 175.01 1xxe n ASN 42 N 2.74 -5.73 -1.10 1.43 3.02 -1.26 -1.12 115.26 113.25 1xxe n ASN 42 Ca -0.15 0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1xxe n ASN 42 Cb 0.56 -4.81 -0.01 0.00 -0.61 0.00 0.00 39.78 34.91 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 -0.91 0.17 2.94 7.41 0.00 -1.26 -5.01 105.19 108.52 1xxe n GLY 43 Ca -0.24 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.49 0.65 0.15 1.61 1.01 -0.27 -5.13 120.40 115.93 1xxe s VAL 44 Ca 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 1xxe s VAL 44 Cb 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.68 1xxe s VAL 44 CO 0.00 0.23 0.73 -0.31 0.00 0.00 0.00 175.10 175.75 1xxe s TYR 45 N 0.62 3.86 -0.35 5.22 2.02 -1.26 -1.71 117.35 125.75 1xxe s TYR 45 Ca -0.09 1.54 -0.00 0.00 -0.37 0.00 0.00 57.07 58.14 1xxe s TYR 45 Cb -0.12 -2.70 0.12 0.00 -0.40 0.00 0.00 41.96 38.86 1xxe s TYR 45 CO 0.01 0.52 0.17 0.42 -1.57 0.00 0.00 175.55 175.09 1xxe s ILE 46 N -1.17 0.70 0.32 2.71 1.01 0.18 -4.95 121.20 119.99 1xxe s ILE 46 Ca 0.35 -1.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.03 1xxe s ILE 46 Cb -0.22 -1.52 -0.14 0.00 0.01 0.00 0.00 42.46 40.60 1xxe s ILE 46 CO 0.24 -0.82 0.94 -2.65 0.00 0.00 0.00 174.94 172.65 1xxe n PRO 47 N 4.35 1.22 -3.03 2.79 -0.02 -1.26 -1.59 135.00 137.45 1xxe n PRO 47 Ca 0.04 0.43 -0.44 0.00 -2.02 0.00 0.00 63.50 61.50 1xxe n PRO 47 Cb 0.39 -1.80 -0.01 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.13 3.91 0.04 3.55 0.00 -0.84 -4.83 121.76 122.47 1xxe s ALA 48 Ca 0.60 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 49.33 1xxe s ALA 48 Cb -0.68 -3.96 -0.03 0.00 0.00 0.00 0.00 23.12 18.44 1xxe s ALA 48 CO 0.59 -2.71 -0.04 1.03 0.00 0.00 0.00 175.76 174.63 1xxe s ARG 49 N 1.40 0.52 0.17 0.00 0.52 -1.26 -4.57 118.95 115.73 1xxe s ARG 49 Ca 0.35 -0.97 -0.16 0.00 -0.52 0.00 0.00 55.73 54.44 1xxe s ARG 49 Cb -0.05 0.07 0.12 0.00 0.52 0.00 0.00 34.95 35.61 1xxe s ARG 49 CO -0.05 -0.06 1.68 1.12 0.02 0.00 0.00 175.30 178.01 1xxe h HIS 50 N 3.81 -0.13 -1.49 -0.53 2.07 -1.94 0.19 115.15 117.14 1xxe h HIS 50 Ca -0.34 0.03 0.43 0.00 -2.85 0.00 0.00 60.37 57.65 1xxe h HIS 50 Cb 1.17 0.12 -0.07 0.00 2.57 0.00 0.00 27.41 31.21 1xxe h HIS 50 CO 0.60 -0.14 1.06 0.93 -3.07 0.00 0.00 177.93 177.30 1xxe h GLU 51 N 0.05 0.03 -0.02 5.12 5.08 -1.96 3.09 114.58 125.96 1xxe h GLU 51 Ca 0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1xxe h GLU 51 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xxe h GLU 51 CO -0.39 0.02 0.00 1.19 -1.00 0.00 0.00 179.01 178.83 1xxe n PHE 52 N -4.17 0.02 -1.70 4.33 3.01 0.67 -4.85 117.46 114.77 1xxe n PHE 52 Ca 0.34 -0.01 -0.43 0.00 1.01 0.00 0.00 57.45 58.36 1xxe n PHE 52 Cb 1.53 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.97 1xxe n PHE 52 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xxe n VAL 53 N -0.71 0.19 -0.02 -4.37 0.31 1.03 -2.58 118.33 112.18 1xxe n VAL 53 Ca 0.18 -0.03 -0.02 0.00 -0.01 0.00 0.00 64.34 64.45 1xxe n VAL 53 Cb 0.12 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 1xxe n VAL 53 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xxe n VAL 54 N 4.33 0.31 -3.67 2.52 0.24 -1.00 -4.88 118.33 116.18 1xxe n VAL 54 Ca 0.17 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.34 62.20 1xxe n VAL 54 Cb 0.36 -0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 31.77 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 -0.74 -0.13 6.34 5.65 -1.20 -5.05 115.29 118.05 1xxe s HIS 55 Ca -0.03 1.45 -0.01 0.00 0.25 0.00 0.00 55.06 56.72 1xxe s HIS 55 Cb 0.01 0.29 -0.02 0.00 -1.18 0.00 0.00 32.58 31.68 1xxe s HIS 55 CO 0.18 -0.44 -0.09 0.95 -0.65 0.00 0.00 174.74 174.69 1xxe s THR 56 N 2.24 3.44 0.00 0.89 -4.23 -1.26 -2.00 115.64 114.72 1xxe s THR 56 Ca -0.04 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1xxe s THR 56 Cb -0.11 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1xxe s THR 56 CO -0.13 0.52 0.00 -0.46 -0.54 0.00 0.00 174.62 174.02 1xxe n ASN 57 N 3.32 0.00 0.04 3.99 2.04 -1.26 -4.85 115.26 118.53 1xxe n ASN 57 Ca -0.18 0.00 0.01 0.00 -0.44 0.00 0.00 54.58 53.97 1xxe n ASN 57 Cb 0.53 0.00 0.06 0.00 -2.53 0.00 0.00 39.78 37.83 1xxe n ASN 57 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1xxe n HIS 58 N 0.00 0.07 -4.16 -2.53 8.25 -1.26 -4.42 115.22 111.17 1xxe n HIS 58 Ca 0.00 0.04 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1xxe n HIS 58 Cb 0.00 -0.27 -0.10 0.00 1.12 0.00 0.00 29.99 30.74 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 -2.58 0.29 -0.24 0.41 0.15 -1.26 -5.03 113.70 105.43 1xxe s SER 59 Ca -0.00 -1.24 -0.08 0.00 0.70 0.00 0.00 55.95 55.33 1xxe s SER 59 Cb 0.01 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 1xxe s SER 59 CO 0.02 -0.75 0.08 -0.89 1.20 0.00 0.00 173.24 172.90 1xxe s THR 60 N -4.07 4.44 0.01 6.45 2.01 -1.26 -4.58 115.64 118.65 1xxe s THR 60 Ca 0.27 -0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.22 1xxe s THR 60 Cb 0.07 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1xxe s THR 60 CO 0.04 0.35 -0.25 -1.81 -0.69 0.00 0.00 174.62 172.26 1xxe s ASP 61 N 1.46 3.21 0.26 3.53 1.01 -0.85 -1.74 116.67 123.55 1xxe s ASP 61 Ca 0.06 -0.49 0.11 0.00 0.71 0.00 0.00 52.55 52.93 1xxe s ASP 61 Cb -0.15 -0.38 -0.05 0.00 1.01 0.00 0.00 42.92 43.36 1xxe s ASP 61 CO 0.04 0.30 -0.18 -0.76 0.21 0.00 0.00 175.17 174.78 1xxe s LEU 62 N -0.91 2.58 -0.28 1.23 1.43 -0.54 -2.38 118.68 119.82 1xxe s LEU 62 Ca 0.11 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 51.91 1xxe s LEU 62 Cb -0.10 -0.98 0.18 0.00 0.03 0.00 0.00 46.19 45.32 1xxe s LEU 62 CO 0.01 -0.03 1.34 -0.83 0.23 0.00 0.00 176.35 177.06 1xxe s GLY 63 N -3.46 0.19 0.01 -3.19 0.00 -1.07 0.57 107.32 100.37 1xxe s GLY 63 Ca 0.28 3.16 -0.07 0.00 0.00 0.00 0.00 44.72 48.08 1xxe s GLY 63 CO 0.13 1.68 0.14 -0.12 0.00 0.00 0.00 173.10 174.93 1xxe s PHE 64 N -0.25 0.06 -1.75 1.90 5.36 0.41 -4.76 117.98 118.95 1xxe s PHE 64 Ca 0.07 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 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 -0.11 -0.32 0.00 1.63 -1.46 0.00 0.00 175.22 174.96 1xxe n LYS 65 N 1.26 -1.58 -0.25 10.12 4.76 -1.26 -0.54 118.16 130.67 1xxe n LYS 65 Ca -0.22 0.98 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 1xxe n LYS 65 Cb 0.56 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 1xxe n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xxe n GLY 66 N -0.56 0.72 3.89 0.72 0.00 -1.26 -5.05 105.19 103.64 1xxe n GLY 66 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.68 3.60 0.02 1.61 -1.52 0.30 -5.10 119.66 117.89 1xxe s GLN 67 Ca 0.00 -0.07 -0.03 0.00 -1.95 0.00 0.00 55.36 53.32 1xxe s GLN 67 Cb 0.00 -3.04 -0.02 0.00 -0.22 0.00 0.00 33.01 29.73 1xxe s GLN 67 CO 0.00 0.62 0.03 -0.98 -0.25 0.00 0.00 175.29 174.71 1xxe s ARG 68 N -1.90 0.42 0.02 2.91 1.70 -1.26 -0.44 118.95 120.40 1xxe s ARG 68 Ca 0.30 -0.64 0.03 0.00 -0.47 0.00 0.00 55.73 54.94 1xxe s ARG 68 Cb -0.13 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.39 1xxe s ARG 68 CO 0.18 -0.09 -0.09 0.42 -1.08 0.00 0.00 175.30 174.65 1xxe s ILE 69 N -1.86 0.65 0.19 4.99 1.01 0.19 -4.84 121.20 121.53 1xxe s ILE 69 Ca -0.12 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 59.93 1xxe s ILE 69 Cb -0.06 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1xxe s ILE 69 CO -0.02 -0.06 -0.10 -0.54 0.00 0.00 0.00 174.94 174.23 1xxe s LYS 70 N -0.82 2.04 -0.85 2.79 1.02 -0.60 -1.46 119.74 121.86 1xxe s LYS 70 Ca -0.02 -1.30 -0.04 0.00 0.02 0.00 0.00 55.97 54.64 1xxe s LYS 70 Cb -0.06 -2.14 -0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1xxe s LYS 70 CO 0.00 0.43 0.69 2.41 -0.92 0.00 0.00 175.35 177.96 1xxe n THR 71 N -0.02 -7.01 0.13 2.17 -1.04 -0.71 -2.19 114.28 105.61 1xxe n THR 71 Ca -0.10 -0.32 0.03 0.00 -2.04 0.00 0.00 64.05 61.62 1xxe n THR 71 Cb 0.56 -5.08 -0.05 0.00 -1.82 0.00 0.00 70.33 63.94 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 -2.53 0.00 0.26 12.58 0.24 -1.12 -4.08 118.33 123.68 1xxe n VAL 72 Ca -0.13 -0.23 0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1xxe n VAL 72 Cb 0.59 0.61 0.63 0.00 -1.47 0.00 0.00 33.84 34.20 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 0.00 0.00 0.38 7.34 9.09 -1.87 -2.39 114.58 127.12 1xxe h GLU 73 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1xxe h GLU 73 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1xxe h GLU 73 CO 0.00 0.00 -0.18 0.45 0.05 0.00 0.00 179.01 179.33 1xxe h HIS 74 N 0.00 -0.47 -0.73 2.06 3.86 -1.92 -1.85 115.15 116.10 1xxe h HIS 74 Ca 0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1xxe h HIS 74 Cb 0.15 0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1xxe h HIS 74 CO 0.00 -0.29 0.48 0.97 0.86 0.00 0.00 177.93 179.94 1xxe h ILE 75 N -1.08 1.17 -0.97 2.45 6.09 -1.84 -1.24 117.51 122.09 1xxe h ILE 75 Ca -0.05 -0.33 0.12 0.00 -1.37 0.00 0.00 64.86 63.22 1xxe h ILE 75 Cb 0.39 0.11 -0.08 0.00 0.47 0.00 0.00 36.82 37.72 1xxe h ILE 75 CO 0.09 0.18 0.62 -0.07 -3.07 0.00 0.00 178.15 175.89 1xxe h LEU 76 N 0.97 0.87 -0.02 2.19 3.38 -1.50 -0.72 115.31 120.47 1xxe h LEU 76 Ca 0.27 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1xxe h LEU 76 Cb -0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1xxe h LEU 76 CO -0.07 0.47 0.01 -1.28 0.09 0.00 0.00 178.44 177.66 1xxe h SER 77 N 0.94 0.03 0.22 -0.43 0.87 -0.35 0.63 113.55 115.46 1xxe h SER 77 Ca 0.47 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1xxe h SER 77 Cb 0.51 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1xxe h SER 77 CO -0.24 0.10 -0.22 0.58 -0.53 0.00 0.00 176.83 176.52 1xxe h VAL 78 N -0.05 0.51 -0.78 2.23 2.07 -0.96 -1.90 116.25 117.37 1xxe h VAL 78 Ca 0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.67 1xxe h VAL 78 Cb 0.08 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 1xxe h VAL 78 CO -0.00 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.86 1xxe h LEU 79 N -0.48 0.36 0.13 2.57 3.38 -1.00 -2.00 115.31 118.26 1xxe h LEU 79 Ca -0.00 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1xxe h LEU 79 Cb 0.45 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1xxe h LEU 79 CO -0.06 0.14 -0.38 -0.74 0.09 0.00 0.00 178.44 177.49 1xxe h HIS 80 N 0.50 -1.06 -0.71 1.13 2.76 -0.09 0.89 115.15 118.56 1xxe h HIS 80 Ca 0.43 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.71 1xxe h HIS 80 Cb 0.63 0.45 -0.05 0.00 1.55 0.00 0.00 27.41 29.99 1xxe h HIS 80 CO -0.14 -0.49 0.47 -0.07 -1.30 0.00 0.00 177.93 176.40 1xxe h LEU 81 N -0.62 0.57 -0.57 0.26 3.38 -0.86 -0.80 115.31 116.66 1xxe h LEU 81 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xxe h LEU 81 Cb 0.65 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xxe h LEU 81 CO -0.22 0.35 -0.11 0.18 0.09 0.00 0.00 178.44 178.73 1xxe n LEU 82 N -4.49 0.99 -3.06 1.67 4.77 -0.74 -4.96 117.00 111.19 1xxe n LEU 82 Ca 0.11 -0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 55.69 1xxe n LEU 82 Cb 0.31 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1xxe n LEU 82 CO 0.33 0.17 0.04 -0.62 -1.33 0.00 0.00 177.39 175.98 1xxe n GLU 83 N -0.44 -2.56 -3.47 3.23 4.71 0.23 -4.98 120.64 117.36 1xxe n GLU 83 Ca 0.16 0.77 -0.38 0.00 -0.01 0.00 0.00 57.16 57.70 1xxe n GLU 83 Cb 0.32 -5.35 -0.09 0.00 -1.01 0.00 0.00 31.44 25.30 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 -3.34 5.24 0.00 -3.67 -1.09 -0.99 -4.55 121.20 112.80 1xxe s ILE 84 Ca 0.35 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1xxe s ILE 84 Cb -0.05 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1xxe s ILE 84 CO 0.65 0.24 0.00 0.35 -1.23 0.00 0.00 174.94 174.95 1xxe n THR 85 N 4.71 0.00 -2.72 2.92 -2.24 -0.86 -4.87 114.28 111.22 1xxe n THR 85 Ca -0.11 0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1xxe n THR 85 Cb 0.51 -1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.51 6.72 -0.28 3.42 0.02 -1.18 -2.86 114.94 119.27 1xxe s ASN 86 Ca 0.00 0.64 -0.24 0.00 -1.02 0.00 0.00 52.86 52.24 1xxe s ASN 86 Cb 0.00 -2.50 0.10 0.00 0.02 0.00 0.00 41.25 38.86 1xxe s ASN 86 CO 0.00 -0.96 0.86 0.68 0.02 0.00 0.00 177.10 177.69 1xxe s VAL 87 N 3.76 0.00 -0.46 1.60 -7.23 -0.99 -4.06 120.40 113.01 1xxe s VAL 87 Ca 0.42 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.50 1xxe s VAL 87 Cb -0.11 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 35.94 1xxe s VAL 87 CO 0.21 0.00 0.33 -0.89 -0.31 0.00 0.00 175.10 174.44 1xxe s THR 88 N 0.49 4.25 -0.49 5.32 2.01 -0.91 -2.56 115.64 123.75 1xxe s THR 88 Ca -0.00 -1.68 -0.22 0.00 0.31 0.00 0.00 61.69 60.10 1xxe s THR 88 Cb -0.05 -3.75 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1xxe s THR 88 CO -0.05 -0.72 0.75 -0.63 -0.69 0.00 0.00 174.62 173.28 1xxe s ILE 89 N 1.39 4.69 -0.22 1.82 1.01 -0.59 -2.13 121.20 127.16 1xxe s ILE 89 Ca 0.05 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.49 1xxe s ILE 89 Cb -0.26 -4.35 -0.01 0.00 0.01 0.00 0.00 42.46 37.86 1xxe s ILE 89 CO 0.00 -0.82 0.84 -1.61 0.00 0.00 0.00 174.94 173.35 1xxe s GLU 90 N 3.16 4.22 -0.37 2.79 0.41 0.13 -1.70 118.70 127.35 1xxe s GLU 90 Ca 0.24 0.99 -0.10 0.00 -0.41 0.00 0.00 54.97 55.69 1xxe s GLU 90 Cb -0.15 -3.62 0.03 0.00 -1.78 0.00 0.00 34.13 28.61 1xxe s GLU 90 CO 0.18 -0.46 0.19 0.08 -0.49 0.00 0.00 175.26 174.75 1xxe s VAL 91 N 2.64 4.43 -0.46 2.63 1.01 -0.25 -1.54 120.40 128.85 1xxe s VAL 91 Ca 0.36 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 1xxe s VAL 91 Cb -0.16 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.78 1xxe s VAL 91 CO 0.09 -0.23 0.61 -0.63 0.00 0.00 0.00 175.10 174.93 1xxe s ILE 92 N 1.52 4.88 -3.51 2.22 1.09 0.00 -4.64 121.20 122.76 1xxe s ILE 92 Ca 0.01 -0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 1xxe s ILE 92 Cb -0.19 -4.22 0.00 0.00 -1.06 0.00 0.00 42.46 36.99 1xxe s ILE 92 CO 0.06 -0.66 0.00 0.61 -0.10 0.00 0.00 174.94 174.85 1xxe n GLY 93 N 5.10 0.82 0.00 6.18 0.00 -1.26 -1.90 105.19 114.13 1xxe n GLY 93 Ca -0.04 -2.01 0.04 0.00 0.00 0.00 0.00 46.02 44.00 1xxe n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xxe n ASN 94 N 0.71 1.79 -3.91 1.61 0.23 -1.26 -4.99 115.26 109.44 1xxe n ASN 94 Ca 0.00 -0.34 -0.11 0.00 -0.53 0.00 0.00 54.58 53.60 1xxe n ASN 94 Cb 0.00 1.18 -0.11 0.00 -2.08 0.00 0.00 39.78 38.76 1xxe n ASN 94 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1xxe s GLU 95 N -2.12 0.32 0.11 -3.83 2.12 -1.26 -1.55 118.70 112.48 1xxe s GLU 95 Ca 0.00 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 54.66 1xxe s GLU 95 Cb 0.05 0.13 -0.07 0.00 0.26 0.00 0.00 34.13 34.50 1xxe s GLU 95 CO 0.31 -0.06 1.31 0.42 -0.54 0.00 0.00 175.26 176.71 1xxe s ILE 96 N -1.06 3.54 0.01 -3.70 -1.09 -0.93 -4.66 121.20 113.31 1xxe s ILE 96 Ca -0.12 1.12 -0.38 0.00 -2.23 0.00 0.00 60.65 59.05 1xxe s ILE 96 Cb -0.07 -3.72 -0.17 0.00 -1.58 0.00 0.00 42.46 36.92 1xxe s ILE 96 CO 0.00 0.10 1.33 -2.65 -1.23 0.00 0.00 174.94 172.49 1xxe n PRO 97 N 3.77 0.88 0.10 2.79 -0.02 -1.26 -4.52 135.00 136.73 1xxe n PRO 97 Ca 0.10 0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 61.86 1xxe n PRO 97 Cb 0.44 -1.93 0.01 0.00 -0.02 0.00 0.00 33.50 32.00 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 3.50 1.56 0.00 4.25 6.09 -1.40 -3.48 117.51 128.03 1xxe h ILE 98 Ca -0.48 -2.83 0.00 0.00 -1.37 0.00 0.00 64.86 60.18 1xxe h ILE 98 Cb 1.35 2.54 0.00 0.00 0.47 0.00 0.00 36.82 41.18 1xxe h ILE 98 CO 0.78 0.80 0.00 0.18 -3.07 0.00 0.00 178.15 176.84 1xxe n LEU 99 N -3.52 0.00 -0.22 2.19 4.77 -1.26 -0.72 117.00 118.25 1xxe n LEU 99 Ca -0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1xxe n LEU 99 Cb 0.80 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 42.06 1xxe n LEU 99 CO 0.45 0.00 0.40 -0.67 -1.33 0.00 0.00 177.39 176.24 1xxe n ASP 100 N 9.28 1.16 0.00 -1.43 2.03 -1.26 -4.56 116.55 121.77 1xxe n ASP 100 Ca 0.00 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.38 1xxe n ASP 100 Cb 0.00 0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 1.42 0.47 0.00 0.27 0.00 0.11 -4.38 105.19 103.08 1xxe n GLY 101 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.71 -0.29 1.61 3.41 -1.26 -1.51 113.62 117.29 1xxe n SER 102 Ca 0.00 -0.93 0.04 0.00 -0.26 0.00 0.00 58.87 57.72 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 -0.50 0.33 5.00 0.00 -0.90 -4.64 105.19 109.47 1xxe n GLY 103 Ca 0.00 -0.24 0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 1.41 0.79 0.19 1.61 2.91 -1.83 0.27 115.95 121.31 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 0.32 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 1xxe h TRP 104 CO 0.00 -0.10 -0.09 0.93 -1.03 0.00 0.00 178.44 178.15 1xxe h GLU 105 N 0.38 -0.24 -0.42 2.65 3.07 -1.90 0.66 114.58 118.78 1xxe h GLU 105 Ca 0.65 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.48 1xxe h GLU 105 Cb 1.35 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.30 1xxe h GLU 105 CO -0.57 -0.11 0.08 0.74 -1.40 0.00 0.00 179.01 177.75 1xxe h PHE 106 N -0.32 0.72 -0.70 4.33 0.04 -1.42 -1.90 116.94 117.69 1xxe h PHE 106 Ca -0.03 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 1xxe h PHE 106 Cb 0.25 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1xxe h PHE 106 CO -0.04 0.70 0.36 -0.92 -0.60 0.00 0.00 178.31 177.81 1xxe h TYR 107 N 0.54 0.96 0.12 -0.55 5.03 -0.38 0.02 116.97 122.72 1xxe h TYR 107 Ca 0.13 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 1xxe h TYR 107 Cb 0.36 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.33 1xxe h TYR 107 CO 0.02 0.69 -0.06 0.93 -1.32 0.00 0.00 178.16 178.42 1xxe h GLU 108 N 0.98 -0.15 0.05 1.82 4.39 0.73 -2.11 114.58 120.28 1xxe h GLU 108 Ca 0.25 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1xxe h GLU 108 Cb 0.06 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1xxe h GLU 108 CO -0.04 0.18 -0.02 0.00 -1.16 0.00 0.00 179.01 177.98 1xxe h ALA 109 N 0.31 -0.06 -0.65 3.43 0.00 -1.27 -3.20 119.26 117.82 1xxe h ALA 109 Ca -0.02 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.64 1xxe h ALA 109 Cb 0.41 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1xxe h ALA 109 CO 0.03 -0.15 0.32 0.82 0.00 0.00 0.00 179.25 180.27 1xxe h ILE 110 N -0.84 0.89 -0.51 0.00 2.04 -1.12 0.63 117.51 118.59 1xxe h ILE 110 Ca -0.01 -0.20 0.12 0.00 1.00 0.00 0.00 64.86 65.78 1xxe h ILE 110 Cb 0.67 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1xxe h ILE 110 CO 0.01 0.10 0.36 -0.09 0.00 0.00 0.00 178.15 178.53 1xxe h ARG 111 N 0.57 0.13 -0.00 2.37 2.43 -1.48 0.53 114.38 118.94 1xxe h ARG 111 Ca 0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1xxe h ARG 111 Cb 0.28 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1xxe h ARG 111 CO -0.23 0.09 -0.07 1.17 -1.51 0.00 0.00 179.97 179.41 1xxe n LYS 112 N -4.43 0.12 -1.35 0.20 4.81 0.17 -3.69 118.16 113.99 1xxe n LYS 112 Ca 0.09 -0.02 -0.04 0.00 -0.87 0.00 0.00 58.31 57.47 1xxe n LYS 112 Cb 0.49 -1.50 0.11 0.00 0.02 0.00 0.00 35.03 34.15 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 -1.43 2.65 -4.80 3.14 4.13 0.18 -5.04 115.26 114.09 1xxe n ASN 113 Ca 0.09 -3.47 -0.39 0.00 1.68 0.00 0.00 54.58 52.49 1xxe n ASN 113 Cb 0.32 -0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 38.06 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xxe s ILE 114 N -3.33 4.63 0.13 2.41 1.01 -0.91 0.32 121.20 125.46 1xxe s ILE 114 Ca 0.41 1.33 0.03 0.00 0.00 0.00 0.00 60.65 62.42 1xxe s ILE 114 Cb 0.38 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1xxe s ILE 114 CO -0.04 0.51 -0.09 -0.22 0.00 0.00 0.00 174.94 175.10 1xxe s LEU 115 N -1.21 2.52 0.03 2.97 2.96 -0.24 -4.56 118.68 121.16 1xxe s LEU 115 Ca 0.32 -1.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.28 1xxe s LEU 115 Cb -0.20 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 1xxe s LEU 115 CO 0.21 -0.38 -0.11 0.20 -1.32 0.00 0.00 176.35 174.95 1xxe s ASN 116 N -3.09 4.31 0.00 3.68 0.02 -1.26 -2.19 114.94 116.41 1xxe s ASN 116 Ca 0.14 -0.27 0.00 0.00 -1.02 0.00 0.00 52.86 51.71 1xxe s ASN 116 Cb 0.03 -0.89 0.00 0.00 0.02 0.00 0.00 41.25 40.42 1xxe s ASN 116 CO -0.02 0.26 0.00 0.00 0.02 0.00 0.00 177.10 177.36 1xxe n GLN 117 N 1.44 2.79 -3.54 -0.60 6.02 0.15 -4.90 117.38 118.74 1xxe n GLN 117 Ca -0.15 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.57 1xxe n GLN 117 Cb 0.52 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.69 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 -0.63 3.40 -3.52 1.08 5.15 -1.26 -4.54 115.26 114.94 1xxe n ASN 118 Ca 0.00 -3.35 -0.00 0.00 -0.60 0.00 0.00 54.58 50.63 1xxe n ASN 118 Cb 0.00 -0.69 -0.05 0.00 -0.53 0.00 0.00 39.78 38.51 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1xxe s ARG 119 N -2.14 0.37 0.13 1.20 3.52 -1.26 -4.90 118.95 115.87 1xxe s ARG 119 Ca 0.36 0.83 -0.32 0.00 -0.13 0.00 0.00 55.73 56.47 1xxe s ARG 119 Cb 0.10 0.37 -0.11 0.00 -1.56 0.00 0.00 34.95 33.75 1xxe s ARG 119 CO -0.06 -0.11 1.80 -1.91 -0.81 0.00 0.00 175.30 174.21 1xxe n GLU 120 N 4.62 2.71 -2.70 5.12 2.13 -1.26 0.26 120.64 131.52 1xxe n GLU 120 Ca -0.13 0.98 -0.33 0.00 0.66 0.00 0.00 57.16 58.34 1xxe n GLU 120 Cb 0.54 -2.86 -0.06 0.00 0.27 0.00 0.00 31.44 29.34 1xxe n GLU 120 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xxe s ILE 121 N 2.32 4.23 -1.02 6.31 1.01 -1.26 -4.72 121.20 128.07 1xxe s ILE 121 Ca 0.81 1.35 -0.16 0.00 0.00 0.00 0.00 60.65 62.65 1xxe s ILE 121 Cb -0.51 -3.57 0.16 0.00 0.01 0.00 0.00 42.46 38.55 1xxe s ILE 121 CO 0.37 -0.33 1.20 -0.62 0.00 0.00 0.00 174.94 175.56 1xxe s ASP 122 N -2.21 6.82 0.57 3.58 2.15 -1.26 -4.98 116.67 121.33 1xxe s ASP 122 Ca 0.63 -2.48 -0.21 0.00 0.43 0.00 0.00 52.55 50.92 1xxe s ASP 122 Cb -0.11 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 1xxe s ASP 122 CO 0.17 -0.89 1.35 -0.31 -0.17 0.00 0.00 175.17 175.32 1xxe s TYR 123 N 1.95 2.21 -0.27 -5.34 1.51 -1.26 -4.76 117.35 111.39 1xxe s TYR 123 Ca 0.35 1.39 -0.10 0.00 -1.01 0.00 0.00 57.07 57.70 1xxe s TYR 123 Cb -0.05 -3.79 -0.05 0.00 -0.11 0.00 0.00 41.96 37.96 1xxe s TYR 123 CO -0.06 -2.97 0.16 0.12 -1.11 0.00 0.00 175.55 171.69 1xxe s PHE 124 N -1.31 3.19 -0.02 2.71 2.19 -0.19 -4.99 117.98 119.56 1xxe s PHE 124 Ca 0.74 0.00 0.07 0.00 0.33 0.00 0.00 56.93 58.07 1xxe s PHE 124 Cb -0.40 -2.35 -0.02 0.00 -1.31 0.00 0.00 43.02 38.95 1xxe s PHE 124 CO 0.46 -0.20 -0.22 0.08 1.83 0.00 0.00 175.22 177.18 1xxe s VAL 125 N 1.71 1.71 0.13 3.12 1.01 -1.26 0.31 120.40 127.12 1xxe s VAL 125 Ca 0.07 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1xxe s VAL 125 Cb -0.16 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 1xxe s VAL 125 CO 0.09 0.48 0.74 -0.69 0.00 0.00 0.00 175.10 175.73 1xxe s VAL 126 N -0.50 4.50 -0.10 2.92 1.01 -0.62 -4.94 120.40 122.67 1xxe s VAL 126 Ca 0.08 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1xxe s VAL 126 Cb -0.08 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1xxe s VAL 126 CO -0.01 0.49 0.09 -0.62 0.00 0.00 0.00 175.10 175.06 1xxe n GLU 127 N 1.88 6.18 -3.92 2.72 1.02 -1.26 -4.27 120.64 122.99 1xxe n GLU 127 Ca -0.06 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 1xxe n GLU 127 Cb 0.49 -0.61 -0.13 0.00 -0.02 0.00 0.00 31.44 31.17 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 -1.22 0.13 1.05 3.49 -1.05 -1.26 -4.82 118.70 115.01 1xxe s GLU 128 Ca 0.01 -0.21 -0.16 0.00 -0.15 0.00 0.00 54.97 54.46 1xxe s GLU 128 Cb 0.02 0.01 0.22 0.00 -0.44 0.00 0.00 34.13 33.93 1xxe s GLU 128 CO 0.09 -0.01 1.16 -1.25 0.95 0.00 0.00 175.26 176.20 1xxe s PRO 129 N -0.48 0.00 -0.19 -4.83 0.04 -1.26 -4.57 135.00 123.72 1xxe s PRO 129 Ca -0.05 0.04 -0.28 0.00 0.04 0.00 0.00 61.00 60.74 1xxe s PRO 129 Cb -0.03 -1.73 0.11 0.00 0.04 0.00 0.00 34.50 32.89 1xxe s PRO 129 CO -0.00 -2.92 0.92 -1.50 0.04 0.00 0.00 177.00 173.54 1xxe s ILE 130 N -3.25 0.00 -0.08 0.56 2.07 -0.75 -4.94 121.20 114.80 1xxe s ILE 130 Ca 0.69 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.92 1xxe s ILE 130 Cb -0.11 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.51 1xxe s ILE 130 CO 0.55 0.00 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.92 1xxe s ILE 131 N -0.58 0.59 -0.22 2.00 1.09 -1.26 -0.95 121.20 121.87 1xxe s ILE 131 Ca -0.02 -0.01 0.02 0.00 -1.10 0.00 0.00 60.65 59.54 1xxe s ILE 131 Cb -0.02 -0.70 0.04 0.00 -1.06 0.00 0.00 42.46 40.72 1xxe s ILE 131 CO 0.01 0.30 -0.15 0.68 -0.10 0.00 0.00 174.94 175.67 1xxe s VAL 132 N 1.87 2.15 0.14 2.92 -7.23 -0.75 -4.98 120.40 114.52 1xxe s VAL 132 Ca 0.05 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1xxe s VAL 132 Cb -0.12 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1xxe s VAL 132 CO -0.06 0.25 0.29 -0.70 -0.31 0.00 0.00 175.10 174.57 1xxe s GLU 133 N 1.20 3.45 -0.30 4.82 -6.30 -1.26 -1.67 118.70 118.64 1xxe s GLU 133 Ca -0.02 -0.53 -0.11 0.00 -2.50 0.00 0.00 54.97 51.81 1xxe s GLU 133 Cb -0.17 -2.96 0.17 0.00 0.00 0.00 0.00 34.13 31.18 1xxe s GLU 133 CO -0.09 0.52 0.91 0.34 0.02 0.00 0.00 175.26 176.96 1xxe s ASP 134 N -3.09 -0.73 -1.53 -1.70 2.15 0.47 -4.94 116.67 107.30 1xxe s ASP 134 Ca 0.35 0.70 -0.06 0.00 0.43 0.00 0.00 52.55 53.97 1xxe s ASP 134 Cb -0.11 1.71 0.06 0.00 -0.30 0.00 0.00 42.92 44.27 1xxe s ASP 134 CO 0.28 -0.14 0.48 -0.62 -0.17 0.00 0.00 175.17 175.01 1xxe n GLU 135 N 5.25 -2.89 -0.98 4.34 1.02 -1.26 0.72 120.64 126.84 1xxe n GLU 135 Ca -0.07 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1xxe n GLU 135 Cb 0.52 -4.59 0.00 0.00 -0.02 0.00 0.00 31.44 27.36 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 136 N -1.87 0.56 3.40 0.62 0.00 -1.26 -5.00 105.19 101.64 1xxe n GLY 136 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.22 2.59 0.08 1.61 0.52 0.22 -4.87 118.95 118.89 1xxe s ARG 137 Ca 0.00 -0.77 -0.09 0.00 -0.52 0.00 0.00 55.73 54.35 1xxe s ARG 137 Cb 0.00 -2.33 -0.00 0.00 0.52 0.00 0.00 34.95 33.14 1xxe s ARG 137 CO 0.00 0.50 0.19 -1.17 0.02 0.00 0.00 175.30 174.85 1xxe s LEU 138 N -0.44 1.40 -0.07 2.53 0.20 -1.04 0.18 118.68 121.45 1xxe s LEU 138 Ca 0.05 -0.62 -0.05 0.00 0.69 0.00 0.00 54.13 54.20 1xxe s LEU 138 Cb -0.12 1.04 0.03 0.00 -0.43 0.00 0.00 46.19 46.71 1xxe s LEU 138 CO 0.02 -0.72 0.17 -0.63 -0.29 0.00 0.00 176.35 174.90 1xxe s ILE 139 N -3.75 -0.02 -0.03 6.68 1.01 -0.67 -1.17 121.20 123.26 1xxe s ILE 139 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.84 1xxe s ILE 139 Cb 0.04 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 1xxe s ILE 139 CO -0.10 0.03 -0.25 -0.75 0.00 0.00 0.00 174.94 173.86 1xxe s LYS 140 N 0.56 2.20 0.09 2.79 2.20 -0.17 -1.81 119.74 125.60 1xxe s LYS 140 Ca -0.04 -0.91 0.10 0.00 -0.36 0.00 0.00 55.97 54.76 1xxe s LYS 140 Cb -0.05 -2.08 -0.03 0.00 -1.51 0.00 0.00 37.83 34.15 1xxe s LYS 140 CO -0.03 0.54 -0.27 0.00 -0.36 0.00 0.00 175.35 175.23 1xxe s ALA 141 N -0.55 2.30 -0.12 3.13 0.00 -0.13 -0.53 121.76 125.87 1xxe s ALA 141 Ca 0.08 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.57 1xxe s ALA 141 Cb -0.11 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1xxe s ALA 141 CO -0.00 0.53 0.30 -2.00 0.00 0.00 0.00 175.76 174.59 1xxe s GLU 142 N -1.70 0.33 0.53 0.00 2.12 0.61 -1.82 118.70 118.77 1xxe s GLU 142 Ca 0.13 0.46 -0.21 0.00 0.36 0.00 0.00 54.97 55.71 1xxe s GLU 142 Cb -0.10 0.11 -0.08 0.00 0.26 0.00 0.00 34.13 34.32 1xxe s GLU 142 CO 0.04 -0.07 0.91 -0.35 -0.54 0.00 0.00 175.26 175.26 1xxe n PRO 143 N 3.24 1.02 -3.54 4.30 -0.04 -1.26 0.27 135.00 138.98 1xxe n PRO 143 Ca -0.16 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1xxe n PRO 143 Cb 0.57 -2.05 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.04 -0.42 0.00 3.54 0.15 -1.26 -4.39 113.70 110.29 1xxe s SER 144 Ca 0.70 0.33 0.29 0.00 0.70 0.00 0.00 55.95 57.97 1xxe s SER 144 Cb -0.47 0.37 1.21 0.00 -1.71 0.00 0.00 66.02 65.42 1xxe s SER 144 CO 0.52 -0.48 1.84 -0.67 1.20 0.00 0.00 173.24 175.66 1xxe n ASP 145 N 0.46 0.66 -4.13 5.45 -0.08 -1.26 -3.65 116.55 114.00 1xxe n ASP 145 Ca -0.11 -0.82 -0.18 0.00 -1.51 0.00 0.00 54.79 52.16 1xxe n ASP 145 Cb 0.59 -0.02 -0.13 0.00 2.34 0.00 0.00 41.12 43.90 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1xxe s THR 146 N -2.34 1.01 -0.23 5.18 -4.23 -1.26 -4.91 115.64 108.86 1xxe s THR 146 Ca 0.32 -1.08 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 1xxe s THR 146 Cb 0.20 -0.95 0.01 0.00 1.34 0.00 0.00 72.50 73.10 1xxe s THR 146 CO 0.44 -0.12 0.99 -0.22 -0.54 0.00 0.00 174.62 175.17 1xxe s LEU 147 N -1.35 4.10 -0.01 4.79 2.96 -1.26 -3.10 118.68 124.81 1xxe s LEU 147 Ca -0.01 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 1xxe s LEU 147 Cb -0.09 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.17 1xxe s LEU 147 CO 0.01 -0.63 0.01 -0.70 -1.32 0.00 0.00 176.35 173.73 1xxe s GLU 148 N 3.09 0.02 -0.06 1.98 2.12 -0.50 -2.89 118.70 122.46 1xxe s GLU 148 Ca 0.42 0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.82 1xxe s GLU 148 Cb -0.15 -0.16 0.03 0.00 0.26 0.00 0.00 34.13 34.11 1xxe s GLU 148 CO 0.06 -0.08 0.01 0.08 -0.54 0.00 0.00 175.26 174.79 1xxe s VAL 149 N 0.54 0.28 0.03 3.70 1.01 -0.90 -0.37 120.40 124.69 1xxe s VAL 149 Ca -0.05 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1xxe s VAL 149 Cb -0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1xxe s VAL 149 CO -0.01 0.23 -0.06 -0.89 0.00 0.00 0.00 175.10 174.37 1xxe s THR 150 N 1.79 3.69 -0.05 3.92 2.01 0.10 -1.33 115.64 125.77 1xxe s THR 150 Ca 0.02 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1xxe s THR 150 Cb -0.13 -2.64 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1xxe s THR 150 CO -0.04 0.31 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.65 1xxe s TYR 151 N -1.08 1.06 -0.31 4.92 5.04 -0.91 0.25 117.35 126.32 1xxe s TYR 151 Ca 0.19 -0.35 -0.02 0.00 -2.44 0.00 0.00 57.07 54.45 1xxe s TYR 151 Cb -0.11 -0.84 0.06 0.00 0.35 0.00 0.00 41.96 41.41 1xxe s TYR 151 CO 0.10 -0.23 0.03 -2.00 -1.34 0.00 0.00 175.55 172.11 1xxe s GLU 152 N 0.79 2.38 -0.10 4.97 2.12 0.12 -1.56 118.70 127.41 1xxe s GLU 152 Ca -0.13 -1.33 -0.07 0.00 0.36 0.00 0.00 54.97 53.80 1xxe s GLU 152 Cb -0.15 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1xxe s GLU 152 CO 0.02 -0.67 0.16 0.20 -0.54 0.00 0.00 175.26 174.42 1xxe s GLY 153 N 1.31 2.18 -0.50 -1.50 0.00 0.42 -0.79 107.32 108.44 1xxe s GLY 153 Ca -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.08 1xxe s GLY 153 CO -0.01 -0.37 0.25 1.85 0.00 0.00 0.00 173.10 174.81 1xxe s GLU 154 N -1.11 1.99 0.10 2.90 2.12 -1.26 -1.34 118.70 122.10 1xxe s GLU 154 Ca 0.16 -2.40 -0.05 0.00 0.36 0.00 0.00 54.97 53.04 1xxe s GLU 154 Cb -0.12 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1xxe s GLU 154 CO 0.06 -1.09 0.34 -0.06 -0.54 0.00 0.00 175.26 173.97 1xxe s PHE 155 N 0.09 3.51 -1.62 5.30 0.08 0.42 -4.95 117.98 120.81 1xxe s PHE 155 Ca 0.15 0.55 0.26 0.00 0.12 0.00 0.00 56.93 58.01 1xxe s PHE 155 Cb -0.23 -1.99 0.59 0.00 -0.57 0.00 0.00 43.02 40.81 1xxe s PHE 155 CO -0.03 0.50 1.46 1.63 -0.10 0.00 0.00 175.22 178.68 1xxe n LYS 156 N 0.40 0.69 0.00 0.44 5.02 -1.26 -2.91 118.16 120.55 1xxe n LYS 156 Ca -0.05 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 1xxe n LYS 156 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1xxe n LYS 156 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xxe n ASN 157 N -0.77 -0.45 0.25 4.39 6.94 -1.26 -4.72 115.26 119.64 1xxe n ASN 157 Ca 0.10 -0.45 0.17 0.00 -0.02 0.00 0.00 54.58 54.38 1xxe n ASN 157 Cb 0.36 0.00 0.88 0.00 -2.36 0.00 0.00 39.78 38.66 1xxe n ASN 157 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 1xxe h PHE 158 N -1.01 0.00 -0.34 -2.53 -0.00 -1.42 -1.71 116.94 109.93 1xxe h PHE 158 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.97 57.81 1xxe h PHE 158 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 1xxe h PHE 158 CO 0.00 0.00 -0.40 -0.07 -0.00 0.00 0.00 178.31 177.84 1xxe h LEU 159 N 0.00 0.90 0.00 2.10 3.38 -1.87 -3.47 115.31 116.35 1xxe h LEU 159 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1xxe h LEU 159 Cb 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1xxe h LEU 159 CO 0.00 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.32 1xxe n GLY 160 N 0.12 2.93 3.52 0.83 0.00 -0.65 -4.66 105.19 107.29 1xxe n GLY 160 Ca -0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 2.58 0.01 1.61 0.52 -1.26 0.16 118.95 122.57 1xxe s ARG 161 Ca 0.00 -0.65 -0.21 0.00 -0.52 0.00 0.00 55.73 54.34 1xxe s ARG 161 Cb 0.00 -2.45 0.04 0.00 0.52 0.00 0.00 34.95 33.06 1xxe s ARG 161 CO 0.00 0.63 0.47 -1.14 0.02 0.00 0.00 175.30 175.29 1xxe s GLN 162 N -0.83 0.91 0.03 3.54 2.00 -0.45 -4.97 119.66 119.89 1xxe s GLN 162 Ca 0.12 -0.15 0.00 0.00 -2.00 0.00 0.00 55.36 53.33 1xxe s GLN 162 Cb -0.11 0.42 -0.03 0.00 0.80 0.00 0.00 33.01 34.09 1xxe s GLN 162 CO 0.01 -0.30 -0.04 -1.59 -0.50 0.00 0.00 175.29 172.88 1xxe s LYS 163 N -1.88 0.43 -0.05 1.67 0.00 -1.26 -0.44 119.74 118.20 1xxe s LYS 163 Ca -0.09 -0.80 -0.00 0.00 0.00 0.00 0.00 55.97 55.08 1xxe s LYS 163 Cb -0.02 0.08 0.03 0.00 0.00 0.00 0.00 37.83 37.92 1xxe s LYS 163 CO 0.02 -0.05 -0.01 0.12 0.00 0.00 0.00 175.35 175.43 1xxe s PHE 164 N -2.14 0.54 -0.25 1.78 5.36 -0.60 -4.98 117.98 117.68 1xxe s PHE 164 Ca -0.09 -0.10 -0.10 0.00 -0.96 0.00 0.00 56.93 55.69 1xxe s PHE 164 Cb -0.05 -0.62 -0.04 0.00 -0.34 0.00 0.00 43.02 41.96 1xxe s PHE 164 CO -0.03 -0.22 0.14 0.99 -1.46 0.00 0.00 175.22 174.64 1xxe s THR 165 N 1.42 5.03 -0.14 0.12 2.01 -1.26 -2.14 115.64 120.67 1xxe s THR 165 Ca -0.04 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.95 1xxe s THR 165 Cb -0.13 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1xxe s THR 165 CO -0.03 0.32 0.14 0.12 -0.69 0.00 0.00 174.62 174.48 1xxe s PHE 166 N 1.40 3.55 0.05 4.92 5.36 -0.44 -4.99 117.98 127.83 1xxe s PHE 166 Ca 0.07 0.48 0.02 0.00 -0.96 0.00 0.00 56.93 56.53 1xxe s PHE 166 Cb -0.15 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 1xxe s PHE 166 CO 0.06 0.62 -0.07 0.08 -1.46 0.00 0.00 175.22 174.46 1xxe s VAL 167 N -0.68 0.55 -0.24 3.12 1.01 -1.26 -2.11 120.40 120.79 1xxe s VAL 167 Ca 0.13 -1.28 -0.36 0.00 0.00 0.00 0.00 61.98 60.47 1xxe s VAL 167 Cb -0.12 -0.85 -0.12 0.00 0.00 0.00 0.00 36.38 35.29 1xxe s VAL 167 CO 0.02 -0.51 1.96 -0.62 0.00 0.00 0.00 175.10 175.96 1xxe n GLU 168 N 1.11 1.50 0.00 2.72 1.02 -1.14 -1.65 120.64 124.20 1xxe n GLU 168 Ca -0.20 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1xxe n GLU 168 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 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 5.14 1.33 1.19 0.62 0.00 -1.26 -4.97 105.19 107.24 1xxe n GLY 169 Ca 0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 0.92 -0.16 1.61 3.02 -0.66 -4.87 115.26 115.12 1xxe n ASN 170 Ca 0.00 -2.22 -0.02 0.00 -0.03 0.00 0.00 54.58 52.31 1xxe n ASN 170 Cb 0.00 -0.31 0.20 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.79 0.90 0.00 3.52 3.07 -1.94 -2.14 114.58 118.78 1xxe h GLU 171 Ca -0.16 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1xxe h GLU 171 Cb 1.70 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 1xxe h GLU 171 CO 0.07 0.74 0.22 0.93 -1.40 0.00 0.00 179.01 179.57 1xxe h GLU 172 N 0.88 0.00 -0.01 2.33 5.08 -1.98 0.37 114.58 121.25 1xxe h GLU 172 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xxe h GLU 172 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xxe h GLU 172 CO -0.02 0.00 -0.23 0.39 -1.00 0.00 0.00 179.01 178.15 1xxe n GLU 173 N -2.35 0.97 0.00 2.33 1.02 -0.80 -4.07 120.64 117.73 1xxe n GLU 173 Ca -0.01 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 1xxe n GLU 173 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1xxe n GLU 173 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xxe n ILE 174 N -0.51 0.00 -0.05 -3.67 -5.35 0.13 -4.66 119.36 105.24 1xxe n ILE 174 Ca 0.13 -0.40 -0.07 0.00 -0.27 0.00 0.00 62.75 62.14 1xxe n ILE 174 Cb 0.35 1.16 -0.14 0.00 -1.74 0.00 0.00 39.64 39.27 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 -0.16 1.41 1.42 7.28 0.24 -0.96 -4.10 118.33 123.47 1xxe n VAL 175 Ca 0.00 -0.80 0.12 0.00 -2.04 0.00 0.00 64.34 61.63 1xxe n VAL 175 Cb 0.04 -0.73 0.48 0.00 -1.47 0.00 0.00 33.84 32.16 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 -2.88 1.43 -4.66 1.34 4.77 -1.26 -2.12 117.00 113.63 1xxe n LEU 176 Ca -0.22 -0.54 -0.43 0.00 -0.03 0.00 0.00 56.01 54.79 1xxe n LEU 176 Cb 1.05 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 42.07 1xxe n LEU 176 CO 0.44 0.27 0.93 0.00 -1.33 0.00 0.00 177.39 177.70 1xxe s ALA 177 N -1.90 3.68 0.25 -1.18 0.00 -1.26 -4.87 121.76 116.48 1xxe s ALA 177 Ca 0.35 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 1xxe s ALA 177 Cb 0.19 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1xxe s ALA 177 CO 0.30 -1.07 0.52 -0.98 0.00 0.00 0.00 175.76 174.52 1xxe s ARG 178 N 3.23 3.66 0.88 0.00 1.70 -1.26 -4.38 118.95 122.79 1xxe s ARG 178 Ca 0.45 0.03 -0.14 0.00 -0.47 0.00 0.00 55.73 55.60 1xxe s ARG 178 Cb -0.15 -2.69 -0.01 0.00 -0.57 0.00 0.00 34.95 31.53 1xxe s ARG 178 CO 0.07 0.28 0.26 -2.37 -1.08 0.00 0.00 175.30 172.46 1xxe n THR 179 N -0.59 0.50 -4.07 4.99 5.66 -0.57 -4.76 114.28 115.43 1xxe n THR 179 Ca -0.01 -0.30 -0.10 0.00 -3.05 0.00 0.00 64.05 60.59 1xxe n THR 179 Cb 0.53 -0.55 -0.09 0.00 -1.55 0.00 0.00 70.33 68.67 1xxe n THR 179 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xxe s PHE 180 N -2.20 0.67 0.17 1.09 -0.71 -1.26 -2.15 117.98 113.60 1xxe s PHE 180 Ca 0.57 -1.04 -0.22 0.00 -1.04 0.00 0.00 56.93 55.20 1xxe s PHE 180 Cb -0.25 -0.30 0.06 0.00 -1.21 0.00 0.00 43.02 41.32 1xxe s PHE 180 CO 0.67 -0.61 0.59 0.00 -1.34 0.00 0.00 175.22 174.52 1xxe s PHE 182 N -3.78 3.29 0.67 0.00 0.08 -1.26 -0.04 117.98 116.93 1xxe s PHE 182 Ca 0.03 0.22 0.43 0.00 0.12 0.00 0.00 56.93 57.73 1xxe s PHE 182 Cb -0.01 -1.75 2.34 0.00 -0.57 0.00 0.00 43.02 43.03 1xxe s PHE 182 CO -0.10 0.55 2.33 0.38 -0.10 0.00 0.00 175.22 178.28 1xxe h ASP 183 N 4.21 0.00 0.73 1.36 3.04 -1.84 -2.17 116.42 121.75 1xxe h ASP 183 Ca -0.49 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.05 1xxe h ASP 183 Cb 1.19 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.47 1xxe h ASP 183 CO 0.62 0.00 -1.12 4.11 -2.04 0.00 0.00 179.24 180.81 1xxe h TRP 184 N 0.00 0.33 -0.00 4.15 0.09 -1.94 -3.29 115.95 115.29 1xxe h TRP 184 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 58.89 58.75 1xxe h TRP 184 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.16 29.30 1xxe h TRP 184 CO 0.00 1.16 -0.65 -0.85 0.09 0.00 0.00 178.44 178.19 1xxe n GLU 185 N -3.50 0.16 0.19 0.12 0.28 -0.91 -4.33 120.64 112.65 1xxe n GLU 185 Ca -0.05 -0.11 -0.15 0.00 -0.16 0.00 0.00 57.16 56.69 1xxe n GLU 185 Cb 0.97 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 32.26 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 0.27 0.69 -0.67 3.84 2.04 -1.48 -2.24 117.51 119.97 1xxe h ILE 186 Ca 0.00 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.90 1xxe h ILE 186 Cb 0.52 0.74 -0.09 0.00 -0.74 0.00 0.00 36.82 37.25 1xxe h ILE 186 CO 0.00 0.02 0.18 -0.33 0.00 0.00 0.00 178.15 178.02 1xxe h GLU 187 N -0.48 0.30 -0.04 2.37 5.08 -1.75 -0.44 114.58 119.61 1xxe h GLU 187 Ca -0.04 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1xxe h GLU 187 Cb 0.37 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1xxe h GLU 187 CO 0.07 0.20 -0.25 0.45 -1.00 0.00 0.00 179.01 178.48 1xxe h HIS 188 N 0.31 -0.67 -0.79 4.33 3.86 -1.72 0.23 115.15 120.70 1xxe h HIS 188 Ca 0.36 0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.75 1xxe h HIS 188 Cb 0.56 0.30 -0.05 0.00 1.06 0.00 0.00 27.41 29.27 1xxe h HIS 188 CO -0.23 -0.34 0.53 0.82 0.86 0.00 0.00 177.93 179.57 1xxe h ILE 189 N -0.37 0.78 0.00 2.45 2.04 -0.58 0.80 117.51 122.63 1xxe h ILE 189 Ca 0.07 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1xxe h ILE 189 Cb 0.47 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1xxe h ILE 189 CO -0.25 0.08 -0.33 0.11 0.00 0.00 0.00 178.15 177.76 1xxe h LYS 190 N 0.43 0.00 0.00 2.37 6.56 0.83 -2.11 116.57 124.65 1xxe h LYS 190 Ca 0.39 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.92 1xxe h LYS 190 Cb 0.90 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.55 1xxe h LYS 190 CO -0.13 0.33 -0.32 0.87 -2.06 0.00 0.00 179.45 178.14 1xxe h LYS 191 N 0.00 0.00 -0.62 3.15 1.79 0.36 -3.04 116.57 118.20 1xxe h LYS 191 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xxe h LYS 191 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1xxe h LYS 191 CO 0.04 0.32 0.00 1.33 -1.08 0.00 0.00 179.45 180.06 1xxe n VAL 192 N -3.29 1.42 -2.02 0.50 0.24 -0.82 -4.90 118.33 109.47 1xxe n VAL 192 Ca 0.01 -0.89 -0.12 0.00 -2.04 0.00 0.00 64.34 61.31 1xxe n VAL 192 Cb 0.57 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.88 0.20 3.45 7.63 0.00 -1.15 -5.02 105.19 111.19 1xxe n GLY 193 Ca 0.19 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.23 2.53 0.00 0.99 1.43 -0.82 -4.72 118.68 114.86 1xxe s LEU 194 Ca 0.00 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 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 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1xxe n GLY 195 N -0.27 0.41 0.26 -3.19 0.00 -1.24 -3.90 105.19 97.26 1xxe n GLY 195 Ca -0.08 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.23 -2.16 116.57 116.35 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 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1xxe h LYS 196 CO 0.00 0.11 -0.60 0.41 -0.57 0.00 0.00 179.45 178.80 1xxe n GLY 197 N -0.36 -0.28 3.69 3.86 0.00 1.09 -4.62 105.19 108.57 1xxe n GLY 197 Ca -0.01 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.47 1.56 0.31 -0.02 0.00 0.15 -4.62 107.32 102.24 1xxe s GLY 198 Ca 0.13 1.19 0.03 0.00 0.00 0.00 0.00 44.72 46.07 1xxe s GLY 198 CO 0.61 2.90 0.16 -0.45 0.00 0.00 0.00 173.10 176.32 1xxe s SER 199 N 2.49 1.59 0.10 1.64 0.15 -1.26 -5.02 113.70 113.38 1xxe s SER 199 Ca 0.74 -1.56 0.26 0.00 0.70 0.00 0.00 55.95 56.08 1xxe s SER 199 Cb -0.39 0.39 0.99 0.00 -1.71 0.00 0.00 66.02 65.30 1xxe s SER 199 CO 0.32 -0.89 1.80 0.18 1.20 0.00 0.00 173.24 175.85 1xxe n LEU 200 N -0.59 0.35 -0.17 3.45 4.77 -1.26 -0.56 117.00 122.99 1xxe n LEU 200 Ca 0.01 0.54 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1xxe n LEU 200 Cb 0.65 -0.44 0.56 0.00 -2.33 0.00 0.00 43.42 41.86 1xxe n LEU 200 CO 0.35 -0.14 0.83 1.17 -1.33 0.00 0.00 177.39 178.26 1xxe n LYS 201 N -1.84 0.80 -0.32 3.23 4.81 -1.26 -4.02 118.16 119.56 1xxe n LYS 201 Ca 0.06 -0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.16 1xxe n LYS 201 Cb 0.34 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.90 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 -0.81 0.00 -3.69 3.14 3.02 -1.09 -4.70 115.26 111.13 1xxe n ASN 202 Ca 0.15 -1.31 -0.14 0.00 -0.03 0.00 0.00 54.58 53.24 1xxe n ASN 202 Cb 0.29 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.26 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xxe s THR 203 N 0.00 -0.23 -0.35 3.41 2.01 0.28 -3.95 115.64 116.80 1xxe s THR 203 Ca 0.00 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.02 1xxe s THR 203 Cb 0.00 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.17 1xxe s THR 203 CO 0.00 0.11 0.85 -0.22 -0.69 0.00 0.00 174.62 174.67 1xxe s LEU 204 N 1.96 4.07 -0.23 4.42 2.96 -0.91 -4.44 118.68 126.50 1xxe s LEU 204 Ca -0.02 0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 54.34 1xxe s LEU 204 Cb -0.12 -3.14 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 1xxe s LEU 204 CO -0.07 -0.76 0.10 -0.69 -1.32 0.00 0.00 176.35 173.62 1xxe s VAL 205 N 3.22 4.81 0.06 1.68 1.01 -1.26 0.07 120.40 129.99 1xxe s VAL 205 Ca 0.34 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1xxe s VAL 205 Cb -0.13 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1xxe s VAL 205 CO 0.16 0.36 0.07 -0.76 0.00 0.00 0.00 175.10 174.94 1xxe s LEU 206 N 1.14 3.80 0.31 3.92 1.43 0.94 -2.52 118.68 127.70 1xxe s LEU 206 Ca 0.05 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 1xxe s LEU 206 Cb -0.14 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 1xxe s LEU 206 CO 0.04 0.20 0.26 -0.83 0.23 0.00 0.00 176.35 176.25 1xxe s GLY 207 N -2.20 1.69 0.59 -3.19 0.00 0.30 -2.39 107.32 102.12 1xxe s GLY 207 Ca 0.27 -1.60 0.29 0.00 0.00 0.00 0.00 44.72 43.68 1xxe s GLY 207 CO 0.20 -1.56 2.05 0.07 0.00 0.00 0.00 173.10 173.86 1xxe h LYS 208 N 1.34 0.00 0.00 2.90 2.10 -1.98 -3.22 116.57 117.71 1xxe h LYS 208 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1xxe h LYS 208 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1xxe h LYS 208 CO 0.59 0.00 -0.04 -3.47 -2.00 0.00 0.00 179.45 174.53 1xxe n ASP 209 N -3.73 0.00 -3.95 7.07 -0.08 -1.26 -1.25 116.55 113.35 1xxe n ASP 209 Ca 0.03 -1.09 -0.10 0.00 -1.51 0.00 0.00 54.79 52.12 1xxe n ASP 209 Cb 0.40 -0.02 -0.12 0.00 2.34 0.00 0.00 41.12 43.73 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1xxe s LYS 210 N 0.00 0.25 -0.19 -0.67 2.20 -1.22 -5.02 119.74 115.10 1xxe s LYS 210 Ca 0.00 -0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 1xxe s LYS 210 Cb 0.00 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1xxe s LYS 210 CO 0.00 -0.04 0.08 0.08 -0.36 0.00 0.00 175.35 175.11 1xxe s VAL 211 N -1.15 4.92 -0.06 4.02 1.01 -1.26 0.11 120.40 127.99 1xxe s VAL 211 Ca -0.13 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1xxe s VAL 211 Cb -0.08 -3.23 -0.14 0.00 0.00 0.00 0.00 36.38 32.93 1xxe s VAL 211 CO -0.01 0.44 0.79 1.88 0.00 0.00 0.00 175.10 178.21 1xxe h TYR 212 N 6.84 -0.22 -2.52 5.22 -1.99 -1.85 -3.45 116.97 119.02 1xxe h TYR 212 Ca -0.38 -0.01 -0.60 0.00 2.00 0.00 0.00 58.73 59.74 1xxe h TYR 212 Cb 1.16 0.07 0.10 0.00 2.00 0.00 0.00 36.73 40.06 1xxe h TYR 212 CO 0.58 0.19 0.32 0.09 -0.00 0.00 0.00 178.16 179.35 1xxe n ASN 213 N -4.93 1.85 -0.02 3.88 4.13 -1.26 -4.89 115.26 114.02 1xxe n ASN 213 Ca -0.07 1.17 -0.15 0.00 1.68 0.00 0.00 54.58 57.21 1xxe n ASN 213 Cb 0.25 -1.33 -0.03 0.00 -1.54 0.00 0.00 39.78 37.13 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 0.73 0.00 3.52 0.13 -1.99 -3.04 132.00 134.24 1xxe h PRO 214 Ca -0.43 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1xxe h PRO 214 Cb 1.32 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1xxe h PRO 214 CO 0.66 1.16 0.00 -1.91 -0.23 0.00 0.00 178.00 177.69 1xxe n GLU 215 N -3.94 0.21 0.00 0.86 2.13 -1.26 -4.99 120.64 113.65 1xxe n GLU 215 Ca -0.06 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1xxe n GLU 215 Cb 0.70 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.91 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 0.34 -1.08 3.76 8.31 0.00 -1.15 -4.75 105.19 110.62 1xxe n GLY 216 Ca 0.08 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 4.49 0.17 0.99 1.43 -1.26 -4.93 118.68 119.57 1xxe s LEU 217 Ca 0.00 2.02 0.25 0.00 -1.03 0.00 0.00 54.13 55.37 1xxe s LEU 217 Cb 0.00 -3.78 0.45 0.00 0.03 0.00 0.00 46.19 42.89 1xxe s LEU 217 CO 0.00 -0.06 1.45 0.03 0.23 0.00 0.00 176.35 178.00 1xxe h ARG 218 N 3.62 0.00 -3.37 1.70 3.08 -1.99 -3.44 114.38 113.97 1xxe h ARG 218 Ca -0.46 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.32 1xxe h ARG 218 Cb 1.20 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.93 1xxe h ARG 218 CO 0.66 0.00 -0.66 0.71 -1.07 0.00 0.00 179.97 179.62 1xxe s TYR 219 N -3.17 -0.08 -0.10 3.04 2.02 -1.26 -4.97 117.35 112.85 1xxe s TYR 219 Ca 0.07 0.32 0.03 0.00 -0.37 0.00 0.00 57.07 57.13 1xxe s TYR 219 Cb 0.12 -0.15 0.19 0.00 -0.40 0.00 0.00 41.96 41.71 1xxe s TYR 219 CO 0.69 -0.13 0.85 0.39 -1.57 0.00 0.00 175.55 175.77 1xxe n GLU 220 N 4.20 0.03 -2.33 -0.62 1.02 -1.26 0.78 120.64 122.45 1xxe n GLU 220 Ca -0.27 0.33 -0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1xxe n GLU 220 Cb 0.51 -2.00 0.04 0.00 -0.02 0.00 0.00 31.44 29.97 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 -1.52 1.62 -0.01 1.62 3.02 -1.26 -4.90 115.26 113.84 1xxe n ASN 221 Ca -0.00 -2.18 0.02 0.00 -0.03 0.00 0.00 54.58 52.39 1xxe n ASN 221 Cb 0.42 -0.42 0.36 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.07 0.56 -0.05 3.52 4.81 -0.01 -0.34 114.58 125.14 1xxe h GLU 222 Ca -0.13 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1xxe h GLU 222 Cb 1.46 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1xxe h GLU 222 CO 0.19 0.46 -0.12 -1.35 -0.73 0.00 0.00 179.01 177.46 1xxe h PRO 223 N 0.56 0.17 0.00 0.92 0.11 -1.89 -2.21 132.00 129.65 1xxe h PRO 223 Ca 0.14 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 1xxe h PRO 223 Cb 0.12 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 1xxe h PRO 223 CO -0.01 0.72 -0.13 -0.39 -0.21 0.00 0.00 178.00 177.97 1xxe h VAL 224 N -0.36 0.32 -0.21 3.15 -1.51 -1.93 -2.52 116.25 113.19 1xxe h VAL 224 Ca -0.00 -0.92 -0.05 0.00 -1.23 0.00 0.00 66.70 64.49 1xxe h VAL 224 Cb 0.73 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 1xxe h VAL 224 CO 0.03 0.13 -0.08 0.03 -1.23 0.00 0.00 177.57 176.45 1xxe h ARG 225 N 0.00 0.42 -0.88 5.19 3.08 -0.98 -1.82 114.38 119.39 1xxe h ARG 225 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1xxe h ARG 225 Cb 0.70 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 1xxe h ARG 225 CO 0.02 0.70 0.57 1.25 -1.07 0.00 0.00 179.97 181.43 1xxe h HIS 226 N 0.13 1.13 -0.64 3.04 2.76 -1.09 0.12 115.15 120.61 1xxe h HIS 226 Ca 0.05 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1xxe h HIS 226 Cb 0.56 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 1xxe h HIS 226 CO 0.06 0.73 0.37 -0.22 -1.30 0.00 0.00 177.93 177.57 1xxe h LYS 227 N 1.20 0.68 -0.64 5.26 3.11 -1.21 0.17 116.57 125.14 1xxe h LYS 227 Ca 0.32 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 58.04 1xxe h LYS 227 Cb -0.11 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 30.94 1xxe h LYS 227 CO -0.07 0.45 0.07 0.28 -2.81 0.00 0.00 179.45 177.38 1xxe h VAL 228 N 0.70 1.26 -0.97 2.00 2.07 -0.43 0.12 116.25 121.00 1xxe h VAL 228 Ca 0.28 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1xxe h VAL 228 Cb 0.12 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1xxe h VAL 228 CO -0.15 0.40 0.64 0.15 0.02 0.00 0.00 177.57 178.63 1xxe h PHE 229 N 1.00 1.19 -0.13 1.57 3.57 0.54 -1.71 116.94 122.97 1xxe h PHE 229 Ca 0.19 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.51 1xxe h PHE 229 Cb 0.48 -0.40 0.01 0.00 2.79 0.00 0.00 35.95 38.83 1xxe h PHE 229 CO 0.04 0.69 -0.78 -0.44 -2.23 0.00 0.00 178.31 175.59 1xxe h ASP 230 N 1.23 0.82 -0.86 0.41 5.19 -0.16 -2.49 116.42 120.56 1xxe h ASP 230 Ca 0.38 -0.54 0.08 0.00 -0.62 0.00 0.00 57.03 56.34 1xxe h ASP 230 Cb -0.01 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.20 1xxe h ASP 230 CO -0.12 1.33 0.56 0.25 -3.12 0.00 0.00 179.24 178.14 1xxe h LEU 231 N 0.47 0.79 -0.07 1.55 5.85 0.07 -0.60 115.31 123.36 1xxe h LEU 231 Ca -0.05 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1xxe h LEU 231 Cb 1.39 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1xxe h LEU 231 CO 0.15 0.48 -0.09 0.40 -0.34 0.00 0.00 178.44 179.05 1xxe h ILE 232 N 0.88 1.38 -1.04 4.05 2.04 -1.29 -1.75 117.51 121.78 1xxe h ILE 232 Ca 0.39 -1.29 0.28 0.00 1.00 0.00 0.00 64.86 65.24 1xxe h ILE 232 Cb 0.34 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 1xxe h ILE 232 CO -0.15 0.36 0.71 1.23 0.00 0.00 0.00 178.15 180.29 1xxe h GLY 233 N -0.25 0.66 1.74 5.37 0.00 -0.78 0.62 103.07 110.43 1xxe h GLY 233 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 1xxe h GLY 233 CO 0.02 -0.07 -0.91 -0.55 0.00 0.00 0.00 176.54 175.03 1xxe h ASP 234 N 0.22 0.00 1.48 0.19 5.19 -0.86 -3.28 116.42 119.37 1xxe h ASP 234 Ca 0.55 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.86 1xxe h ASP 234 Cb 1.71 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.21 1xxe h ASP 234 CO -0.16 0.71 -0.48 -0.07 -3.12 0.00 0.00 179.24 176.12 1xxe h LEU 235 N 0.00 0.00 -0.01 1.55 3.38 0.10 -3.02 115.31 117.31 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 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1xxe n TYR 236 N -3.23 0.01 -0.00 1.13 9.36 0.36 -2.50 117.16 122.30 1xxe n TYR 236 Ca 0.02 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.47 1xxe n TYR 236 Cb 0.72 -0.51 0.71 0.00 -0.63 0.00 0.00 39.34 39.63 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 -2.56 2.98 3.38 -1.67 1.05 115.31 118.48 1xxe h LEU 237 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xxe h LEU 237 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1xxe h LEU 237 CO 0.00 0.00 0.11 -0.07 0.09 0.00 0.00 178.44 178.57 1xxe h LEU 238 N 0.00 0.00 0.00 1.67 3.38 -1.76 -3.30 115.31 115.31 1xxe h LEU 238 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1xxe h LEU 238 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1xxe h LEU 238 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1xxe n GLY 239 N -1.21 0.55 3.50 0.83 0.00 0.36 -5.02 105.19 104.20 1xxe n GLY 239 Ca -0.02 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.33 -0.62 0.10 1.61 1.04 -1.26 -4.85 113.70 107.40 1xxe s SER 240 Ca 0.00 0.72 -0.35 0.00 0.48 0.00 0.00 55.95 56.81 1xxe s SER 240 Cb 0.00 0.60 -0.18 0.00 0.10 0.00 0.00 66.02 66.54 1xxe s SER 240 CO 0.00 -0.56 0.94 -2.65 0.98 0.00 0.00 173.24 171.95 1xxe n PRO 241 N 1.11 0.32 -3.79 4.02 -0.02 -1.26 -4.60 135.00 130.78 1xxe n PRO 241 Ca -0.19 0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1xxe n PRO 241 Cb 0.57 -1.47 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.33 5.14 -0.18 -1.45 1.01 -1.26 -1.02 120.40 122.31 1xxe s VAL 242 Ca 0.78 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1xxe s VAL 242 Cb -1.06 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1xxe s VAL 242 CO 0.55 0.41 -0.14 -0.75 0.00 0.00 0.00 175.10 175.17 1xxe s LYS 243 N 0.69 3.20 0.00 2.72 2.47 0.15 -4.64 119.74 124.33 1xxe s LYS 243 Ca 0.06 -0.74 0.00 0.00 -1.56 0.00 0.00 55.97 53.73 1xxe s LYS 243 Cb -0.13 -2.70 0.00 0.00 -1.46 0.00 0.00 37.83 33.54 1xxe s LYS 243 CO 0.01 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 175.85 1xxe n GLY 244 N 4.35 -0.48 3.31 5.54 0.00 -1.18 -1.59 105.19 115.15 1xxe n GLY 244 Ca -0.19 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 1xxe n GLY 244 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxe s LYS 245 N -1.93 2.90 0.06 1.61 2.47 0.14 -1.41 119.74 123.57 1xxe s LYS 245 Ca 0.00 -0.99 0.07 0.00 -1.56 0.00 0.00 55.97 53.49 1xxe s LYS 245 Cb 0.00 -3.39 -0.04 0.00 -1.46 0.00 0.00 37.83 32.94 1xxe s LYS 245 CO 0.00 -0.53 -0.15 -0.06 0.16 0.00 0.00 175.35 174.77 1xxe s PHE 246 N 1.45 2.64 0.00 4.03 0.40 0.50 -0.28 117.98 126.72 1xxe s PHE 246 Ca 0.01 -0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1xxe s PHE 246 Cb -0.18 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 1xxe s PHE 246 CO 0.02 0.33 -0.12 -0.47 0.70 0.00 0.00 175.22 175.68 1xxe s TYR 247 N -1.03 1.06 -0.04 0.36 6.14 0.31 -0.72 117.35 123.42 1xxe s TYR 247 Ca 0.17 -0.23 0.01 0.00 0.64 0.00 0.00 57.07 57.65 1xxe s TYR 247 Cb -0.11 -0.67 0.02 0.00 0.42 0.00 0.00 41.96 41.63 1xxe s TYR 247 CO 0.08 -0.01 -0.02 0.45 0.64 0.00 0.00 175.55 176.69 1xxe s SER 248 N -0.48 0.84 -0.28 4.32 0.15 0.14 -1.00 113.70 117.39 1xxe s SER 248 Ca 0.03 -0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 1xxe s SER 248 Cb -0.05 -0.37 0.02 0.00 -1.71 0.00 0.00 66.02 63.91 1xxe s SER 248 CO -0.00 -0.09 0.02 0.12 1.20 0.00 0.00 173.24 174.49 1xxe s PHE 249 N 1.08 3.12 -1.30 3.44 5.36 -0.31 0.10 117.98 129.47 1xxe s PHE 249 Ca -0.09 -1.29 -0.17 0.00 -0.96 0.00 0.00 56.93 54.42 1xxe s PHE 249 Cb -0.14 -2.16 0.01 0.00 -0.34 0.00 0.00 43.02 40.39 1xxe s PHE 249 CO -0.01 -0.66 0.52 0.54 -1.46 0.00 0.00 175.22 174.15 1xxe n ARG 250 N 4.76 -1.37 -3.15 10.12 1.74 0.03 -2.50 116.66 126.30 1xxe n ARG 250 Ca -0.15 0.26 -0.33 0.00 -0.77 0.00 0.00 57.85 56.85 1xxe n ARG 250 Cb 0.47 -3.62 -0.06 0.00 -1.02 0.00 0.00 32.46 28.23 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 -3.87 2.38 0.42 -0.13 0.00 -1.26 -4.41 107.32 100.45 1xxe s GLY 251 Ca 0.28 0.04 0.03 0.00 0.00 0.00 0.00 44.72 45.07 1xxe s GLY 251 CO 0.93 0.27 0.23 0.61 0.00 0.00 0.00 173.10 175.14 1xxe n GLY 252 N -0.12 3.06 0.11 0.20 0.00 -1.26 -4.99 105.19 102.19 1xxe n GLY 252 Ca 0.02 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 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 0.79 0.31 0.43 1.61 3.86 -1.95 -2.13 115.15 118.07 1xxe h HIS 253 Ca -0.29 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 58.80 1xxe h HIS 253 Cb 1.00 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.41 1xxe h HIS 253 CO 0.00 0.71 -0.21 0.66 0.86 0.00 0.00 177.93 179.96 1xxe h SER 254 N -0.18 -0.49 -1.00 2.45 4.64 -1.88 -1.86 113.55 115.22 1xxe h SER 254 Ca 0.01 -0.01 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 1xxe h SER 254 Cb 0.68 0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.79 1xxe h SER 254 CO 0.03 -0.31 0.62 0.25 -0.87 0.00 0.00 176.83 176.54 1xxe h LEU 255 N -0.64 0.78 0.58 5.97 5.85 -1.97 -1.13 115.31 124.76 1xxe h LEU 255 Ca -0.06 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1xxe h LEU 255 Cb 0.48 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1xxe h LEU 255 CO 0.10 0.30 -0.29 0.78 -0.34 0.00 0.00 178.44 178.99 1xxe h ASN 256 N 0.77 -0.69 -0.95 1.25 -0.26 -0.88 -2.05 115.58 112.76 1xxe h ASN 256 Ca 0.56 0.03 0.22 0.00 -0.56 0.00 0.00 56.30 56.55 1xxe h ASN 256 Cb 0.87 0.19 -0.12 0.00 -1.06 0.00 0.00 38.32 38.19 1xxe h ASN 256 CO -0.35 -0.48 0.52 0.58 -1.06 0.00 0.00 177.43 176.63 1xxe h VAL 257 N -0.79 0.57 -0.34 2.81 2.07 -0.44 0.16 116.25 120.28 1xxe h VAL 257 Ca -0.08 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1xxe h VAL 257 Cb 0.62 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1xxe h VAL 257 CO 0.12 0.10 0.05 0.50 0.02 0.00 0.00 177.57 178.36 1xxe h LYS 258 N 0.56 0.16 -0.70 1.57 3.64 -0.62 0.49 116.57 121.67 1xxe h LYS 258 Ca 0.59 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 60.08 1xxe h LYS 258 Cb 1.06 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.76 1xxe h LYS 258 CO -0.46 0.11 0.28 1.25 -2.27 0.00 0.00 179.45 178.35 1xxe h LEU 259 N 0.16 0.28 -0.04 5.20 5.85 -0.17 -0.27 115.31 126.32 1xxe h LEU 259 Ca 0.16 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1xxe h LEU 259 Cb 0.19 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1xxe h LEU 259 CO -0.22 0.13 -0.02 0.58 -0.34 0.00 0.00 178.44 178.57 1xxe h VAL 260 N 0.45 1.32 -0.50 1.05 2.07 -0.76 -2.29 116.25 117.60 1xxe h VAL 260 Ca 0.37 -1.00 0.10 0.00 0.82 0.00 0.00 66.70 66.99 1xxe h VAL 260 Cb 0.50 1.92 -0.10 0.00 -1.52 0.00 0.00 31.29 32.09 1xxe h VAL 260 CO -0.35 0.27 -0.16 0.11 0.02 0.00 0.00 177.57 177.45 1xxe h LYS 261 N -0.31 -0.05 0.08 1.57 1.79 0.88 0.60 116.57 121.13 1xxe h LYS 261 Ca 0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1xxe h LYS 261 Cb 0.44 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1xxe h LYS 261 CO 0.01 -0.03 -0.04 1.49 -1.08 0.00 0.00 179.45 179.80 1xxe h GLU 262 N -0.05 -0.10 -0.65 3.15 4.57 -1.09 -0.61 114.58 119.80 1xxe h GLU 262 Ca 0.24 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1xxe h GLU 262 Cb 0.41 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.97 1xxe h GLU 262 CO -0.54 0.13 0.36 -0.07 -1.18 0.00 0.00 179.01 177.71 1xxe h LEU 263 N -0.32 0.52 -1.02 1.64 3.38 -0.77 0.60 115.31 119.34 1xxe h LEU 263 Ca -0.01 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1xxe h LEU 263 Cb 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xxe h LEU 263 CO 0.02 0.34 0.03 0.00 0.09 0.00 0.00 178.44 178.91 1xxe h ALA 264 N 1.35 1.19 0.00 1.53 0.00 0.34 -1.61 119.26 122.06 1xxe h ALA 264 Ca 0.29 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1xxe h ALA 264 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xxe h ALA 264 CO -0.19 0.53 -0.63 0.87 0.00 0.00 0.00 179.25 179.84 1xxe h LYS 265 N 0.69 0.00 -0.12 0.00 1.57 0.03 -3.20 116.57 115.55 1xxe h LYS 265 Ca 0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1xxe h LYS 265 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1xxe h LYS 265 CO 0.01 0.63 -0.07 0.87 -0.57 0.00 0.00 179.45 180.32 1xxe h LYS 266 N 0.00 0.26 -0.12 3.15 1.57 0.75 -2.42 116.57 119.75 1xxe h LYS 266 Ca -0.01 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1xxe h LYS 266 Cb 1.43 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1xxe h LYS 266 CO 0.08 0.61 0.00 0.94 -0.57 0.00 0.00 179.45 180.51 1xxe n GLN 267 N -4.68 0.76 0.01 3.15 -0.06 -0.66 -3.34 117.38 112.57 1xxe n GLN 267 Ca -0.06 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.04 1xxe n GLN 267 Cb 0.29 -1.06 0.43 0.00 -4.06 0.00 0.00 30.24 25.84 1xxe n GLN 267 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1xxe n LYS 268 N -0.40 0.02 -0.18 3.69 3.00 -0.91 -2.71 118.16 120.68 1xxe n LYS 268 Ca 0.00 0.17 0.02 0.00 -0.00 0.00 0.00 58.31 58.50 1xxe n LYS 268 Cb 0.03 -1.54 0.09 0.00 0.00 0.00 0.00 35.03 33.61 1xxe n LYS 268 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1xxe n LEU 269 N -1.58 1.84 -0.90 3.14 4.77 -1.21 -5.13 117.00 117.93 1xxe n LEU 269 Ca 0.05 -0.93 0.11 0.00 -0.03 0.00 0.00 56.01 55.21 1xxe n LEU 269 Cb 0.24 -0.46 0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1xxe n LEU 269 CO 0.19 0.31 0.60 1.07 -1.33 0.00 0.00 177.39 178.24