#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 0.79 -4.26 3.23 -0.58 1.28 -4.52 120.64 116.58 1xxe n GLU 4 Ca 0.00 0.28 -0.34 0.00 -0.42 0.00 0.00 57.16 56.68 1xxe n GLU 4 Cb 0.00 -1.88 -0.13 0.00 -0.57 0.00 0.00 31.44 28.86 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 0.44 3.59 0.29 3.49 2.36 -1.26 0.68 119.74 129.33 1xxe s LYS 5 Ca 0.87 -0.55 0.03 0.00 -2.55 0.00 0.00 55.97 53.77 1xxe s LYS 5 Cb -1.06 -2.96 -0.06 0.00 -1.05 0.00 0.00 37.83 32.70 1xxe s LYS 5 CO 0.51 0.10 0.06 -0.08 1.55 0.00 0.00 175.35 177.49 1xxe s THR 6 N 0.72 0.98 0.11 3.43 -1.32 -0.74 -1.71 115.64 117.12 1xxe s THR 6 Ca -0.02 -2.01 -0.26 0.00 -1.21 0.00 0.00 61.69 58.20 1xxe s THR 6 Cb -0.14 -2.69 -0.07 0.00 -1.51 0.00 0.00 72.50 68.09 1xxe s THR 6 CO 0.02 -0.04 0.79 0.68 -2.21 0.00 0.00 174.62 173.86 1xxe s VAL 7 N -3.45 4.53 0.08 5.08 -7.23 -1.26 0.30 120.40 118.44 1xxe s VAL 7 Ca 0.36 1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 62.06 1xxe s VAL 7 Cb 0.08 -4.15 -0.10 0.00 0.56 0.00 0.00 36.38 32.77 1xxe s VAL 7 CO 0.14 0.43 1.46 0.50 -0.31 0.00 0.00 175.10 177.33 1xxe h LYS 8 N 5.02 0.46 -5.04 4.82 3.64 -0.53 -3.42 116.57 121.51 1xxe h LYS 8 Ca -0.45 -0.18 -0.33 0.00 -1.27 0.00 0.00 60.65 58.41 1xxe h LYS 8 Cb 1.21 -0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 32.83 1xxe h LYS 8 CO 0.69 0.70 -0.73 -2.00 -2.27 0.00 0.00 179.45 175.83 1xxe s GLU 9 N -4.73 0.91 0.22 1.90 2.12 -1.26 -5.00 118.70 112.86 1xxe s GLU 9 Ca -0.14 -1.22 -0.31 0.00 0.36 0.00 0.00 54.97 53.66 1xxe s GLU 9 Cb 0.07 -0.60 -0.10 0.00 0.26 0.00 0.00 34.13 33.76 1xxe s GLU 9 CO 0.76 0.09 1.51 0.21 -0.54 0.00 0.00 175.26 177.29 1xxe s LYS 10 N -2.96 4.23 0.35 4.30 2.20 -1.26 -4.88 119.74 121.73 1xxe s LYS 10 Ca 0.08 2.36 0.09 0.00 -0.36 0.00 0.00 55.97 58.14 1xxe s LYS 10 Cb -0.02 -3.12 -0.07 0.00 -1.51 0.00 0.00 37.83 33.12 1xxe s LYS 10 CO 0.00 -0.52 -0.08 -0.51 -0.36 0.00 0.00 175.35 173.88 1xxe s LEU 11 N 0.22 2.75 -0.03 5.43 1.43 -0.70 -4.95 118.68 122.83 1xxe s LEU 11 Ca 0.64 -1.21 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 1xxe s LEU 11 Cb -0.43 -1.00 0.05 0.00 0.03 0.00 0.00 46.19 44.84 1xxe s LEU 11 CO 0.39 -0.23 0.56 -0.94 0.23 0.00 0.00 176.35 176.36 1xxe s SER 12 N -3.62 -0.51 0.16 2.29 1.04 -1.26 -0.52 113.70 111.28 1xxe s SER 12 Ca 0.33 0.50 0.04 0.00 0.48 0.00 0.00 55.95 57.29 1xxe s SER 12 Cb 0.03 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1xxe s SER 12 CO 0.17 -0.57 -0.06 -0.36 0.98 0.00 0.00 173.24 173.40 1xxe s PHE 13 N -1.31 1.26 -0.07 5.02 0.08 -0.23 -4.95 117.98 117.77 1xxe s PHE 13 Ca -0.11 -0.85 -0.05 0.00 0.12 0.00 0.00 56.93 56.04 1xxe s PHE 13 Cb -0.02 -0.68 0.03 0.00 -0.57 0.00 0.00 43.02 41.78 1xxe s PHE 13 CO 0.08 -0.02 0.17 -1.83 -0.10 0.00 0.00 175.22 173.52 1xxe s GLU 14 N -3.81 0.16 0.00 0.44 -1.05 -1.26 -1.19 118.70 111.99 1xxe s GLU 14 Ca 0.19 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.34 1xxe s GLU 14 Cb 0.04 -0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.69 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 3.64 1.41 3.78 -3.83 0.00 -0.66 -4.90 105.19 104.64 1xxe n GLY 15 Ca -0.20 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 3.44 0.01 1.61 0.11 -1.26 -2.12 120.40 120.18 1xxe s VAL 16 Ca 0.00 0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 59.32 1xxe s VAL 16 Cb 0.00 -3.03 -0.06 0.00 -1.53 0.00 0.00 36.38 31.77 1xxe s VAL 16 CO 0.00 -0.61 0.56 -0.83 -3.33 0.00 0.00 175.10 170.89 1xxe s GLY 17 N -3.52 2.59 0.13 6.54 0.00 -0.54 -0.15 107.32 112.38 1xxe s GLY 17 Ca 0.61 -0.01 -0.23 0.00 0.00 0.00 0.00 44.72 45.08 1xxe s GLY 17 CO 0.56 0.62 1.64 1.19 0.00 0.00 0.00 173.10 177.11 1xxe h ILE 18 N 3.99 0.47 0.11 0.90 2.10 -1.83 0.62 117.51 123.87 1xxe h ILE 18 Ca -0.47 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.14 1xxe h ILE 18 Cb 1.20 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.39 1xxe h ILE 18 CO 0.68 0.00 -1.75 0.45 -1.08 0.00 0.00 178.15 176.44 1xxe h HIS 19 N -0.28 0.42 -0.16 2.19 3.86 -1.89 3.16 115.15 122.46 1xxe h HIS 19 Ca 0.10 -0.31 -0.16 0.00 -1.16 0.00 0.00 60.37 58.84 1xxe h HIS 19 Cb 0.42 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1xxe h HIS 19 CO -0.32 1.50 -0.56 1.15 0.86 0.00 0.00 177.93 180.56 1xxe h THR 20 N 0.06 1.33 -1.07 2.45 2.02 -1.91 -1.93 112.91 113.86 1xxe h THR 20 Ca -0.33 -1.83 -0.35 0.00 0.77 0.00 0.00 66.41 64.68 1xxe h THR 20 Cb 2.03 1.82 -0.12 0.00 -1.74 0.00 0.00 68.15 70.14 1xxe h THR 20 CO 0.12 0.56 -0.34 0.61 0.37 0.00 0.00 175.52 176.85 1xxe n GLY 21 N 0.24 1.38 3.61 2.16 0.00 0.22 -4.62 105.19 108.18 1xxe n GLY 21 Ca -0.03 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.67 2.25 0.08 1.61 0.41 -1.26 -4.77 118.70 113.36 1xxe s GLU 22 Ca 0.00 -1.01 -0.31 0.00 -0.41 0.00 0.00 54.97 53.24 1xxe s GLU 22 Cb 0.00 -2.36 -0.07 0.00 -1.78 0.00 0.00 34.13 29.92 1xxe s GLU 22 CO 0.00 0.50 1.36 -0.47 -0.49 0.00 0.00 175.26 176.17 1xxe s TYR 23 N -1.33 3.19 0.08 1.61 5.04 -1.26 -1.46 117.35 123.21 1xxe s TYR 23 Ca 0.23 0.98 0.02 0.00 -2.44 0.00 0.00 57.07 55.86 1xxe s TYR 23 Cb -0.11 -3.64 -0.04 0.00 0.35 0.00 0.00 41.96 38.53 1xxe s TYR 23 CO 0.16 -2.22 -0.07 0.45 -1.34 0.00 0.00 175.55 172.52 1xxe s SER 24 N 1.28 1.06 0.03 4.32 0.15 -0.90 -4.84 113.70 114.79 1xxe s SER 24 Ca 0.64 -0.89 0.02 0.00 0.70 0.00 0.00 55.95 56.42 1xxe s SER 24 Cb -0.34 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 1xxe s SER 24 CO 0.29 -0.40 -0.08 -0.75 1.20 0.00 0.00 173.24 173.50 1xxe s LYS 25 N -3.27 0.53 0.07 5.44 2.20 -0.94 -1.65 119.74 122.12 1xxe s LYS 25 Ca 0.06 -0.61 0.10 0.00 -0.36 0.00 0.00 55.97 55.15 1xxe s LYS 25 Cb 0.01 -0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 35.94 1xxe s LYS 25 CO -0.04 0.08 -0.26 -0.51 -0.36 0.00 0.00 175.35 174.26 1xxe s LEU 26 N -1.18 2.25 -0.05 5.43 1.43 -0.33 -1.57 118.68 124.65 1xxe s LEU 26 Ca -0.06 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1xxe s LEU 26 Cb -0.08 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.88 1xxe s LEU 26 CO 0.00 0.24 -0.02 -0.63 0.23 0.00 0.00 176.35 176.17 1xxe s ILE 27 N -0.89 0.45 -0.14 -0.59 1.01 -0.48 -1.07 121.20 119.49 1xxe s ILE 27 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 1xxe s ILE 27 Cb -0.10 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 1xxe s ILE 27 CO 0.03 0.23 -0.11 -0.63 0.00 0.00 0.00 174.94 174.47 1xxe s ILE 28 N 1.30 3.22 0.07 2.92 1.01 0.32 0.81 121.20 130.84 1xxe s ILE 28 Ca -0.05 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1xxe s ILE 28 Cb -0.13 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1xxe s ILE 28 CO -0.02 0.51 -0.17 -1.00 0.00 0.00 0.00 174.94 174.26 1xxe s HIS 29 N 0.45 1.43 0.93 3.97 3.76 -0.92 -1.73 115.29 123.18 1xxe s HIS 29 Ca -0.08 -0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 54.30 1xxe s HIS 29 Cb -0.15 -0.81 0.15 0.00 1.11 0.00 0.00 32.58 32.87 1xxe s HIS 29 CO 0.04 0.10 1.10 -0.35 -0.85 0.00 0.00 174.74 174.78 1xxe n PRO 30 N 1.39 -0.54 -2.68 8.40 -0.04 -1.26 -1.44 135.00 138.82 1xxe n PRO 30 Ca -0.20 -0.09 -0.07 0.00 -0.04 0.00 0.00 63.50 63.10 1xxe n PRO 30 Cb 0.54 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 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 -4.15 0.52 -3.06 0.54 -0.58 -1.25 -4.63 120.64 108.03 1xxe n GLU 31 Ca 0.11 -1.00 -0.33 0.00 -0.42 0.00 0.00 57.16 55.53 1xxe n GLU 31 Cb 0.52 0.66 -0.06 0.00 -0.57 0.00 0.00 31.44 31.99 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 -2.43 4.07 0.42 3.49 2.20 -1.26 -4.93 119.74 121.30 1xxe s LYS 32 Ca 0.09 0.79 -0.23 0.00 -0.36 0.00 0.00 55.97 56.26 1xxe s LYS 32 Cb 0.00 -2.41 -0.12 0.00 -1.51 0.00 0.00 37.83 33.80 1xxe s LYS 32 CO 0.06 0.13 0.63 0.39 -0.36 0.00 0.00 175.35 176.20 1xxe n GLU 33 N -0.35 0.69 -2.00 4.03 4.71 -1.26 -1.32 120.64 125.14 1xxe n GLU 33 Ca 0.04 0.25 -0.20 0.00 -0.01 0.00 0.00 57.16 57.24 1xxe n GLU 33 Cb 0.53 -1.60 -0.05 0.00 -1.01 0.00 0.00 31.44 29.31 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 1.68 0.69 0.11 0.62 0.00 -1.26 -4.87 105.19 102.16 1xxe n GLY 34 Ca 0.11 -0.03 -0.20 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 1.44 0.00 2.61 2.02 -1.54 -3.50 112.91 113.94 1xxe h THR 35 Ca -0.45 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.22 1xxe h THR 35 Cb 1.34 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.88 1xxe h THR 35 CO 0.59 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.80 1xxe n GLY 36 N 1.68 -1.39 3.58 2.16 0.00 -1.25 -4.93 105.19 105.04 1xxe n GLY 36 Ca -0.16 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 1xxe n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxe s ILE 37 N 0.00 4.75 -0.04 -0.61 -1.09 -1.15 -2.31 121.20 120.75 1xxe s ILE 37 Ca 0.00 -0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1xxe s ILE 37 Cb 0.00 -3.18 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1xxe s ILE 37 CO 0.00 0.39 0.11 0.00 -1.23 0.00 0.00 174.94 174.22 1xxe s ARG 38 N 0.93 0.13 0.19 2.79 1.70 -1.05 -2.22 118.95 121.42 1xxe s ARG 38 Ca 0.05 0.16 -0.03 0.00 -0.47 0.00 0.00 55.73 55.44 1xxe s ARG 38 Cb -0.14 0.05 -0.05 0.00 -0.57 0.00 0.00 34.95 34.25 1xxe s ARG 38 CO 0.03 -0.02 0.41 -0.06 -1.08 0.00 0.00 175.30 174.58 1xxe s PHE 39 N 0.10 3.48 0.00 5.89 0.08 -0.87 -1.48 117.98 125.18 1xxe s PHE 39 Ca -0.00 0.48 0.02 0.00 0.12 0.00 0.00 56.93 57.54 1xxe s PHE 39 Cb -0.01 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1xxe s PHE 39 CO -0.00 0.37 -0.07 0.12 -0.10 0.00 0.00 175.22 175.54 1xxe s PHE 40 N -1.82 0.60 -0.26 0.36 2.19 -0.78 -0.07 117.98 118.20 1xxe s PHE 40 Ca 0.40 -0.16 -0.28 0.00 0.33 0.00 0.00 56.93 57.23 1xxe s PHE 40 Cb -0.11 -0.38 0.17 0.00 -1.31 0.00 0.00 43.02 41.38 1xxe s PHE 40 CO 0.27 -0.02 1.26 -1.59 1.83 0.00 0.00 175.22 176.98 1xxe s LYS 41 N -0.34 0.22 -1.47 10.12 -2.85 -0.65 -0.50 119.74 124.28 1xxe s LYS 41 Ca 0.01 0.11 0.00 0.00 -1.00 0.00 0.00 55.97 55.09 1xxe s LYS 41 Cb -0.03 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 1xxe s LYS 41 CO -0.00 -0.06 0.00 -1.71 0.10 0.00 0.00 175.35 173.68 1xxe n ASN 42 N 0.96 -4.95 -1.18 0.03 2.85 -1.26 -0.30 115.26 111.41 1xxe n ASN 42 Ca -0.06 0.11 -0.13 0.00 -0.11 0.00 0.00 54.58 54.38 1xxe n ASN 42 Cb 0.58 -4.17 -0.04 0.00 1.24 0.00 0.00 39.78 37.39 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xxe n GLY 43 N -0.88 0.91 3.07 8.20 0.00 -1.26 -4.99 105.19 110.25 1xxe n GLY 43 Ca -0.20 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.55 1.19 0.03 1.61 1.01 0.58 -5.13 120.40 117.14 1xxe s VAL 44 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1xxe s VAL 44 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1xxe s VAL 44 CO 0.00 0.36 0.38 -0.31 0.00 0.00 0.00 175.10 175.52 1xxe s TYR 45 N 0.26 3.65 -0.35 5.22 1.51 -1.26 -1.64 117.35 124.73 1xxe s TYR 45 Ca -0.07 0.85 -0.00 0.00 -1.01 0.00 0.00 57.07 56.84 1xxe s TYR 45 Cb -0.12 -2.19 0.12 0.00 -0.11 0.00 0.00 41.96 39.66 1xxe s TYR 45 CO 0.02 0.60 0.17 0.42 -1.11 0.00 0.00 175.55 175.65 1xxe s ILE 46 N -1.22 0.63 0.42 2.71 1.01 0.89 -4.94 121.20 120.71 1xxe s ILE 46 Ca 0.27 -1.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.01 1xxe s ILE 46 Cb -0.15 -1.47 -0.11 0.00 0.01 0.00 0.00 42.46 40.74 1xxe s ILE 46 CO 0.15 -0.84 0.76 -2.65 0.00 0.00 0.00 174.94 172.36 1xxe n PRO 47 N 4.34 0.89 -3.16 2.79 -0.02 -1.26 -2.05 135.00 136.53 1xxe n PRO 47 Ca 0.04 0.32 -0.45 0.00 -2.02 0.00 0.00 63.50 61.40 1xxe n PRO 47 Cb 0.39 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.11 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 -1.38 4.15 0.05 3.55 0.00 -0.94 -4.83 121.76 122.36 1xxe s ALA 48 Ca 0.64 -3.40 0.01 0.00 0.00 0.00 0.00 51.96 49.20 1xxe s ALA 48 Cb -0.58 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 18.72 1xxe s ALA 48 CO 0.57 -2.51 -0.05 0.50 0.00 0.00 0.00 175.76 174.27 1xxe s ARG 49 N 0.52 0.54 0.20 0.00 3.52 -1.26 -4.49 118.95 117.98 1xxe s ARG 49 Ca 0.31 -0.94 -0.12 0.00 -0.13 0.00 0.00 55.73 54.84 1xxe s ARG 49 Cb -0.07 -0.02 0.23 0.00 -1.56 0.00 0.00 34.95 33.53 1xxe s ARG 49 CO -0.06 -0.04 1.68 1.12 -0.81 0.00 0.00 175.30 177.19 1xxe h HIS 50 N 3.89 0.01 0.00 5.12 2.07 -1.94 0.37 115.15 124.68 1xxe h HIS 50 Ca -0.34 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1xxe h HIS 50 Cb 1.18 0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.24 1xxe h HIS 50 CO 0.61 -0.10 0.57 0.93 -3.07 0.00 0.00 177.93 176.87 1xxe h GLU 51 N 0.14 0.00 -0.13 5.12 4.39 -1.96 2.32 114.58 124.47 1xxe h GLU 51 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1xxe h GLU 51 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1xxe h GLU 51 CO -0.43 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 178.61 1xxe n PHE 52 N -2.28 0.14 -1.67 4.33 3.01 0.13 -4.93 117.46 116.19 1xxe n PHE 52 Ca -0.01 -0.07 -0.47 0.00 1.01 0.00 0.00 57.45 57.92 1xxe n PHE 52 Cb 0.59 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.02 1xxe n PHE 52 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xxe n VAL 53 N 0.87 0.13 -0.01 -4.37 0.31 0.78 -2.85 118.33 113.19 1xxe n VAL 53 Ca 0.17 -0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.46 1xxe n VAL 53 Cb 0.49 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 31.79 1xxe n VAL 53 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xxe n VAL 54 N 3.80 0.18 -3.64 2.52 0.24 -1.03 -4.89 118.33 115.52 1xxe n VAL 54 Ca 0.18 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 62.29 1xxe n VAL 54 Cb 0.29 -0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.06 -0.74 -0.15 6.34 5.65 -1.22 -5.04 115.29 118.06 1xxe s HIS 55 Ca -0.02 1.39 -0.00 0.00 0.25 0.00 0.00 55.06 56.68 1xxe s HIS 55 Cb 0.01 0.23 -0.01 0.00 -1.18 0.00 0.00 32.58 31.63 1xxe s HIS 55 CO 0.10 -0.48 -0.13 0.95 -0.65 0.00 0.00 174.74 174.53 1xxe s THR 56 N 2.58 3.00 0.00 0.89 -4.23 -1.26 -1.72 115.64 114.89 1xxe s THR 56 Ca -0.00 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1xxe s THR 56 Cb -0.12 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1xxe s THR 56 CO -0.12 0.51 0.00 -3.20 -0.54 0.00 0.00 174.62 171.27 1xxe n ASN 57 N 3.79 0.00 0.22 3.99 2.85 -1.26 -4.88 115.26 119.97 1xxe n ASN 57 Ca -0.18 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.32 1xxe n ASN 57 Cb 0.52 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.72 1xxe n ASN 57 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1xxe h HIS 58 N 0.00 0.00 -4.03 1.20 3.86 -2.04 -3.39 115.15 110.75 1xxe h HIS 58 Ca 0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 1xxe h HIS 58 Cb 0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 1xxe h HIS 58 CO 0.00 0.00 -0.65 0.45 0.86 0.00 0.00 177.93 178.59 1xxe s SER 59 N -3.06 0.86 -0.18 2.45 0.15 -1.26 -5.05 113.70 107.61 1xxe s SER 59 Ca -0.01 -1.22 -0.03 0.00 0.70 0.00 0.00 55.95 55.39 1xxe s SER 59 Cb 0.02 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1xxe s SER 59 CO 0.06 -0.65 -0.05 -0.89 1.20 0.00 0.00 173.24 172.91 1xxe s THR 60 N -3.82 3.61 0.11 6.45 2.01 -1.26 -4.51 115.64 118.22 1xxe s THR 60 Ca 0.26 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.91 1xxe s THR 60 Cb 0.07 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1xxe s THR 60 CO 0.05 0.46 -0.21 -1.81 -0.69 0.00 0.00 174.62 172.42 1xxe s ASP 61 N 0.85 2.56 0.15 3.53 1.11 -0.70 -1.00 116.67 123.18 1xxe s ASP 61 Ca -0.01 -0.70 0.05 0.00 0.18 0.00 0.00 52.55 52.07 1xxe s ASP 61 Cb -0.15 -0.14 -0.04 0.00 1.07 0.00 0.00 42.92 43.66 1xxe s ASP 61 CO 0.01 0.05 -0.12 -0.76 1.18 0.00 0.00 175.17 175.54 1xxe s LEU 62 N -1.97 2.51 -0.27 1.23 1.43 -0.80 -2.47 118.68 118.34 1xxe s LEU 62 Ca 0.07 -0.98 -0.28 0.00 -1.03 0.00 0.00 54.13 51.92 1xxe s LEU 62 Cb -0.10 -0.45 0.18 0.00 0.03 0.00 0.00 46.19 45.85 1xxe s LEU 62 CO 0.04 -0.26 1.31 -0.83 0.23 0.00 0.00 176.35 176.84 1xxe s GLY 63 N -3.07 0.10 -0.00 -3.19 0.00 -1.13 -0.02 107.32 100.01 1xxe s GLY 63 Ca 0.16 2.91 -0.06 0.00 0.00 0.00 0.00 44.72 47.73 1xxe s GLY 63 CO 0.02 1.37 0.12 -0.12 0.00 0.00 0.00 173.10 174.49 1xxe s PHE 64 N -0.67 0.05 -1.70 1.90 5.36 0.89 -4.82 117.98 118.99 1xxe s PHE 64 Ca 0.07 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1xxe s PHE 64 Cb -0.02 -0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.61 1xxe s PHE 64 CO -0.09 -0.25 0.07 1.63 -1.46 0.00 0.00 175.22 175.12 1xxe n LYS 65 N 1.63 -2.11 -0.89 10.12 5.02 -1.26 -0.93 118.16 129.75 1xxe n LYS 65 Ca -0.22 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1xxe n LYS 65 Cb 0.56 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 1xxe n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxe n GLY 66 N -1.06 0.76 3.77 0.72 0.00 -1.26 -5.02 105.19 103.10 1xxe n GLY 66 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.11 3.18 0.05 1.61 -1.52 -0.10 -5.10 119.66 117.66 1xxe s GLN 67 Ca 0.00 -0.29 -0.03 0.00 -1.95 0.00 0.00 55.36 53.09 1xxe s GLN 67 Cb 0.00 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.80 1xxe s GLN 67 CO 0.00 0.73 0.03 -0.98 -0.25 0.00 0.00 175.29 174.82 1xxe s ARG 68 N -0.94 0.59 0.04 2.91 1.70 -1.26 -0.08 118.95 121.91 1xxe s ARG 68 Ca 0.14 -1.00 0.03 0.00 -0.47 0.00 0.00 55.73 54.43 1xxe s ARG 68 Cb -0.12 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.46 1xxe s ARG 68 CO 0.03 -0.13 -0.10 0.42 -1.08 0.00 0.00 175.30 174.44 1xxe s ILE 69 N -3.29 0.74 0.12 4.99 1.01 0.97 -4.87 121.20 120.87 1xxe s ILE 69 Ca 0.01 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.79 1xxe s ILE 69 Cb 0.03 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1xxe s ILE 69 CO -0.08 -0.18 -0.13 -0.54 0.00 0.00 0.00 174.94 174.02 1xxe s LYS 70 N -1.25 2.00 -0.71 2.79 1.02 -0.69 -1.90 119.74 121.00 1xxe s LYS 70 Ca -0.04 -1.11 -0.04 0.00 0.02 0.00 0.00 55.97 54.81 1xxe s LYS 70 Cb -0.08 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1xxe s LYS 70 CO 0.01 0.49 0.67 2.41 -0.92 0.00 0.00 175.35 178.00 1xxe n THR 71 N 0.65 -8.60 0.08 2.17 -1.04 -0.17 -2.14 114.28 105.22 1xxe n THR 71 Ca -0.14 -0.04 0.03 0.00 -2.04 0.00 0.00 64.05 61.86 1xxe n THR 71 Cb 0.53 -6.00 -0.05 0.00 -1.82 0.00 0.00 70.33 62.99 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 -1.71 0.00 0.25 12.58 0.24 -1.19 -4.15 118.33 124.34 1xxe n VAL 72 Ca -0.06 -0.20 0.15 0.00 -2.04 0.00 0.00 64.34 62.19 1xxe n VAL 72 Cb 0.54 0.52 0.81 0.00 -1.47 0.00 0.00 33.84 34.24 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 0.30 7.34 -0.00 -1.87 -2.25 114.58 118.10 1xxe h GLU 73 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1xxe h GLU 73 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.02 1xxe h GLU 73 CO 0.00 0.00 -0.14 0.45 -0.00 0.00 0.00 179.01 179.32 1xxe h HIS 74 N 0.00 -0.37 -0.86 2.06 3.86 -1.92 -1.68 115.15 116.23 1xxe h HIS 74 Ca 0.00 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1xxe h HIS 74 Cb 0.05 0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.59 1xxe h HIS 74 CO 0.00 -0.23 0.55 0.97 0.86 0.00 0.00 177.93 180.08 1xxe h ILE 75 N -0.97 1.11 -0.90 2.45 6.09 -1.83 -0.35 117.51 123.11 1xxe h ILE 75 Ca -0.04 -0.36 0.09 0.00 -1.37 0.00 0.00 64.86 63.18 1xxe h ILE 75 Cb 0.31 -0.03 -0.06 0.00 0.47 0.00 0.00 36.82 37.51 1xxe h ILE 75 CO 0.07 0.19 0.58 -0.07 -3.07 0.00 0.00 178.15 175.85 1xxe h LEU 76 N 1.04 0.84 -0.07 2.19 3.38 -1.48 -0.70 115.31 120.51 1xxe h LEU 76 Ca 0.35 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1xxe h LEU 76 Cb 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xxe h LEU 76 CO -0.14 0.50 0.04 -1.28 0.09 0.00 0.00 178.44 177.66 1xxe h SER 77 N 0.93 0.09 0.19 -0.43 0.87 -0.08 0.11 113.55 115.23 1xxe h SER 77 Ca 0.41 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1xxe h SER 77 Cb 0.34 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1xxe h SER 77 CO -0.17 0.14 -0.17 0.58 -0.53 0.00 0.00 176.83 176.68 1xxe h VAL 78 N 0.03 0.63 -0.73 2.23 2.07 -0.96 -1.86 116.25 117.66 1xxe h VAL 78 Ca 0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 1xxe h VAL 78 Cb 0.07 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1xxe h VAL 78 CO -0.00 0.00 0.28 -0.07 0.02 0.00 0.00 177.57 177.80 1xxe h LEU 79 N -0.38 0.26 -0.25 2.57 3.38 -0.94 -1.29 115.31 118.67 1xxe h LEU 79 Ca -0.00 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1xxe h LEU 79 Cb 0.35 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1xxe h LEU 79 CO -0.03 0.10 -0.00 -0.74 0.09 0.00 0.00 178.44 177.86 1xxe h HIS 80 N 0.43 -0.02 -0.72 1.13 2.76 -0.08 0.14 115.15 118.80 1xxe h HIS 80 Ca 0.40 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.57 1xxe h HIS 80 Cb 0.59 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 1xxe h HIS 80 CO -0.17 -0.04 0.39 -0.07 -1.30 0.00 0.00 177.93 176.73 1xxe h LEU 81 N 0.07 0.90 -0.29 0.26 3.38 -0.50 -2.19 115.31 116.94 1xxe h LEU 81 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xxe h LEU 81 Cb 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xxe h LEU 81 CO -0.20 0.73 -0.18 0.18 0.09 0.00 0.00 178.44 179.06 1xxe n LEU 82 N -4.36 0.64 -2.97 1.67 4.77 -0.70 -4.97 117.00 111.09 1xxe n LEU 82 Ca 0.07 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 1xxe n LEU 82 Cb 0.10 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1xxe n LEU 82 CO 0.38 0.12 0.11 -0.62 -1.33 0.00 0.00 177.39 176.05 1xxe n GLU 83 N -0.91 -1.71 -3.65 3.23 4.71 0.44 -4.99 120.64 117.76 1xxe n GLU 83 Ca 0.13 0.94 -0.36 0.00 -0.01 0.00 0.00 57.16 57.86 1xxe n GLU 83 Cb 0.31 -5.24 -0.08 0.00 -1.01 0.00 0.00 31.44 25.42 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 -3.24 5.36 0.00 -3.67 -1.09 -1.03 -4.53 121.20 113.01 1xxe s ILE 84 Ca 0.28 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1xxe s ILE 84 Cb -0.04 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1xxe s ILE 84 CO 0.64 0.41 0.00 0.35 -1.23 0.00 0.00 174.94 175.11 1xxe n THR 85 N 3.60 0.00 -2.68 2.92 -2.24 -0.69 -4.88 114.28 110.30 1xxe n THR 85 Ca -0.14 0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 1xxe n THR 85 Cb 0.52 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.98 6.74 -0.28 3.42 0.01 -1.17 -2.94 114.94 119.74 1xxe s ASN 86 Ca 0.00 0.67 -0.18 0.00 -0.71 0.00 0.00 52.86 52.64 1xxe s ASN 86 Cb 0.00 -2.52 0.10 0.00 0.41 0.00 0.00 41.25 39.24 1xxe s ASN 86 CO 0.00 -1.02 0.81 0.68 -1.51 0.00 0.00 177.10 176.07 1xxe s VAL 87 N 3.90 0.00 -0.49 1.60 -7.23 -0.98 -3.89 120.40 113.32 1xxe s VAL 87 Ca 0.44 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.49 1xxe s VAL 87 Cb -0.10 -1.00 0.12 0.00 0.56 0.00 0.00 36.38 35.95 1xxe s VAL 87 CO 0.23 0.00 0.39 -0.89 -0.31 0.00 0.00 175.10 174.51 1xxe s THR 88 N 1.30 4.59 -0.58 5.32 2.01 -0.52 -2.52 115.64 125.24 1xxe s THR 88 Ca -0.08 -1.61 -0.21 0.00 0.31 0.00 0.00 61.69 60.10 1xxe s THR 88 Cb -0.05 -3.95 0.06 0.00 0.01 0.00 0.00 72.50 68.58 1xxe s THR 88 CO -0.15 -0.76 0.82 -0.63 -0.69 0.00 0.00 174.62 173.21 1xxe s ILE 89 N 1.46 4.57 -0.12 1.82 1.01 -0.55 -2.17 121.20 127.23 1xxe s ILE 89 Ca 0.04 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1xxe s ILE 89 Cb -0.27 -4.51 -0.02 0.00 0.01 0.00 0.00 42.46 37.67 1xxe s ILE 89 CO 0.01 -1.14 1.18 -1.61 0.00 0.00 0.00 174.94 173.39 1xxe s GLU 90 N 3.42 4.31 -0.35 2.79 2.02 0.24 -1.87 118.70 129.26 1xxe s GLU 90 Ca 0.21 1.61 -0.08 0.00 0.02 0.00 0.00 54.97 56.73 1xxe s GLU 90 Cb -0.18 -3.63 0.03 0.00 0.10 0.00 0.00 34.13 30.46 1xxe s GLU 90 CO 0.12 -0.54 0.13 0.08 0.02 0.00 0.00 175.26 175.08 1xxe s VAL 91 N 2.72 4.01 -0.44 2.63 1.01 0.34 -1.39 120.40 129.30 1xxe s VAL 91 Ca 0.53 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 1xxe s VAL 91 Cb -0.22 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1xxe s VAL 91 CO 0.17 -0.18 0.36 -0.63 0.00 0.00 0.00 175.10 174.82 1xxe s ILE 92 N 1.45 5.22 -4.43 2.22 1.09 -0.61 -4.60 121.20 121.54 1xxe s ILE 92 Ca -0.00 -0.76 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 1xxe s ILE 92 Cb -0.19 -4.02 0.00 0.00 -1.06 0.00 0.00 42.46 37.19 1xxe s ILE 92 CO 0.04 -0.43 0.00 0.61 -0.10 0.00 0.00 174.94 175.06 1xxe n GLY 93 N 5.17 0.92 0.00 6.18 0.00 -1.26 -2.21 105.19 113.99 1xxe n GLY 93 Ca -0.11 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.03 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 1.90 1.36 -3.89 1.61 2.85 -1.26 -4.98 115.26 112.85 1xxe n ASN 94 Ca 0.00 -0.37 -0.11 0.00 -0.11 0.00 0.00 54.58 53.99 1xxe n ASN 94 Cb 0.00 1.31 -0.10 0.00 1.24 0.00 0.00 39.78 42.23 1xxe n ASN 94 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1xxe s GLU 95 N -2.56 0.41 0.09 1.20 2.12 -1.26 -1.71 118.70 116.99 1xxe s GLU 95 Ca -0.00 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 54.65 1xxe s GLU 95 Cb 0.09 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.57 1xxe s GLU 95 CO 0.53 -0.09 1.45 0.42 -0.54 0.00 0.00 175.26 177.03 1xxe s ILE 96 N -1.21 3.26 0.05 -3.70 -1.09 -0.91 -4.66 121.20 112.94 1xxe s ILE 96 Ca -0.13 0.84 -0.38 0.00 -2.23 0.00 0.00 60.65 58.75 1xxe s ILE 96 Cb -0.07 -3.54 -0.18 0.00 -1.58 0.00 0.00 42.46 37.09 1xxe s ILE 96 CO 0.01 0.04 1.19 -2.65 -1.23 0.00 0.00 174.94 172.30 1xxe n PRO 97 N 4.46 0.59 0.24 2.79 -0.02 -1.26 -4.48 135.00 137.31 1xxe n PRO 97 Ca 0.13 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1xxe n PRO 97 Cb 0.42 -1.77 0.35 0.00 -0.02 0.00 0.00 33.50 32.48 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 3.11 0.05 0.00 4.25 6.09 -0.79 -3.47 117.51 126.74 1xxe h ILE 98 Ca -0.49 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.12 1xxe h ILE 98 Cb 1.38 1.84 0.00 0.00 0.47 0.00 0.00 36.82 40.51 1xxe h ILE 98 CO 0.71 0.02 0.00 0.18 -3.07 0.00 0.00 178.15 176.00 1xxe n LEU 99 N -3.11 0.00 0.00 2.19 4.77 -1.26 0.70 117.00 120.29 1xxe n LEU 99 Ca 0.03 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1xxe n LEU 99 Cb 0.46 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1xxe n LEU 99 CO 0.32 0.00 0.19 -0.67 -1.33 0.00 0.00 177.39 175.90 1xxe n ASP 100 N 5.56 0.76 0.00 -1.43 2.03 -1.26 -4.68 116.55 117.52 1xxe n ASP 100 Ca 0.00 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.68 1xxe n ASP 100 Cb 0.00 0.64 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 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 1.50 0.26 0.53 0.27 0.00 0.22 -4.46 105.19 103.50 1xxe n GLY 101 Ca 0.05 0.00 -0.04 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 1.93 -0.08 1.61 3.41 -1.26 -1.72 113.62 117.52 1xxe n SER 102 Ca 0.00 -1.31 0.02 0.00 -0.26 0.00 0.00 58.87 57.33 1xxe n SER 102 Cb 0.00 0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 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 4.11 -0.02 0.34 5.00 0.00 -0.98 -4.67 105.19 108.97 1xxe n GLY 103 Ca -0.02 -0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.05 1xxe n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1xxe h TRP 104 N 0.37 0.99 0.19 1.61 2.91 -1.83 0.90 115.95 121.10 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 0.14 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.52 1xxe h TRP 104 CO 0.00 0.01 -0.09 0.93 -1.03 0.00 0.00 178.44 178.26 1xxe h GLU 105 N 0.52 -0.25 -0.59 2.65 5.08 -1.90 0.55 114.58 120.65 1xxe h GLU 105 Ca 0.66 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1xxe h GLU 105 Cb 1.31 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 1xxe h GLU 105 CO -0.51 -0.09 0.37 0.74 -1.00 0.00 0.00 179.01 178.52 1xxe h PHE 106 N -0.35 0.77 -0.93 4.33 0.04 -1.51 -1.28 116.94 118.00 1xxe h PHE 106 Ca -0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1xxe h PHE 106 Cb 0.27 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 1xxe h PHE 106 CO -0.04 0.51 0.56 -0.92 -0.60 0.00 0.00 178.31 177.83 1xxe h TYR 107 N 0.80 1.23 -0.08 -0.55 5.03 -0.58 -0.57 116.97 122.25 1xxe h TYR 107 Ca 0.21 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 1xxe h TYR 107 Cb -0.04 -0.40 -0.00 0.00 1.55 0.00 0.00 36.73 37.84 1xxe h TYR 107 CO -0.02 0.81 -0.08 0.93 -1.32 0.00 0.00 178.16 178.48 1xxe h GLU 108 N 1.28 0.19 0.03 1.82 4.39 0.76 -2.17 114.58 120.89 1xxe h GLU 108 Ca 0.33 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1xxe h GLU 108 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1xxe h GLU 108 CO -0.06 0.63 -0.02 0.00 -1.16 0.00 0.00 179.01 178.40 1xxe h ALA 109 N 0.56 -0.04 -0.66 3.43 0.00 -1.19 -3.23 119.26 118.13 1xxe h ALA 109 Ca 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1xxe h ALA 109 Cb 0.60 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1xxe h ALA 109 CO 0.02 -0.16 0.37 0.82 0.00 0.00 0.00 179.25 180.30 1xxe h ILE 110 N -0.78 1.20 -0.33 0.00 2.04 -1.24 -2.03 117.51 116.37 1xxe h ILE 110 Ca -0.00 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.45 1xxe h ILE 110 Cb 0.68 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1xxe h ILE 110 CO 0.01 0.22 0.25 -0.09 0.00 0.00 0.00 178.15 178.54 1xxe h ARG 111 N 0.90 0.00 0.00 2.37 2.43 -1.50 0.20 114.38 118.78 1xxe h ARG 111 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1xxe h ARG 111 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1xxe h ARG 111 CO -0.04 0.00 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.11 1xxe h LYS 112 N 0.00 0.00 -0.18 0.20 3.64 -1.39 -3.30 116.57 115.55 1xxe h LYS 112 Ca 0.16 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1xxe h LYS 112 Cb 0.66 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.38 1xxe h LYS 112 CO -0.00 0.00 -0.56 -1.71 -2.27 0.00 0.00 179.45 174.91 1xxe n ASN 113 N -2.34 2.45 -4.80 4.20 2.85 0.64 -5.05 115.26 113.21 1xxe n ASN 113 Ca 0.05 -3.87 -0.35 0.00 -0.11 0.00 0.00 54.58 50.30 1xxe n ASN 113 Cb 0.44 -0.49 -0.07 0.00 1.24 0.00 0.00 39.78 40.91 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1xxe s ILE 114 N -3.55 4.33 0.18 -1.44 1.01 -0.89 0.13 121.20 120.97 1xxe s ILE 114 Ca 0.41 1.62 0.04 0.00 0.00 0.00 0.00 60.65 62.71 1xxe s ILE 114 Cb 0.38 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1xxe s ILE 114 CO -0.04 -0.04 -0.05 -0.22 0.00 0.00 0.00 174.94 174.59 1xxe s LEU 115 N -2.50 2.35 0.07 2.97 2.96 0.15 -4.45 118.68 120.22 1xxe s LEU 115 Ca 0.54 -1.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 1xxe s LEU 115 Cb -0.15 -0.26 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 1xxe s LEU 115 CO 0.19 -0.44 -0.22 0.21 -1.32 0.00 0.00 176.35 174.77 1xxe s ASN 116 N -3.21 2.69 0.00 3.68 2.47 -1.26 -1.79 114.94 117.52 1xxe s ASN 116 Ca 0.22 -0.60 0.00 0.00 0.42 0.00 0.00 52.86 52.90 1xxe s ASN 116 Cb 0.04 -0.20 0.00 0.00 -1.45 0.00 0.00 41.25 39.64 1xxe s ASN 116 CO 0.04 0.15 0.00 0.00 -3.72 0.00 0.00 177.10 173.57 1xxe n GLN 117 N 1.55 3.54 -0.00 0.43 6.02 0.21 -4.86 117.38 124.27 1xxe n GLN 117 Ca -0.18 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.82 1xxe n GLN 117 Cb 0.53 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.80 1xxe n GLN 117 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1xxe n ASN 118 N 0.00 1.29 -4.56 1.08 2.04 -1.26 -4.57 115.26 109.27 1xxe n ASN 118 Ca 0.00 -1.22 -0.37 0.00 -0.44 0.00 0.00 54.58 52.55 1xxe n ASN 118 Cb 0.00 -0.01 -0.11 0.00 -2.53 0.00 0.00 39.78 37.13 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1xxe s ARG 119 N -0.27 3.89 0.43 -3.83 3.52 -1.26 -4.84 118.95 116.59 1xxe s ARG 119 Ca 0.02 -0.36 -0.25 0.00 -0.13 0.00 0.00 55.73 55.01 1xxe s ARG 119 Cb 0.01 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 1xxe s ARG 119 CO 0.02 -0.09 1.26 -1.91 -0.81 0.00 0.00 175.30 173.77 1xxe n GLU 120 N 4.71 1.87 -2.86 5.12 2.13 -1.26 0.39 120.64 130.75 1xxe n GLU 120 Ca -0.15 0.67 -0.36 0.00 0.66 0.00 0.00 57.16 57.98 1xxe n GLU 120 Cb 0.52 -2.38 -0.06 0.00 0.27 0.00 0.00 31.44 29.79 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 -1.21 4.32 -1.14 6.31 1.01 -1.26 -4.56 121.20 124.66 1xxe s ILE 121 Ca 0.62 1.65 -0.19 0.00 0.00 0.00 0.00 60.65 62.73 1xxe s ILE 121 Cb -0.50 -3.90 0.10 0.00 0.01 0.00 0.00 42.46 38.16 1xxe s ILE 121 CO 0.57 0.06 1.50 -0.62 0.00 0.00 0.00 174.94 176.45 1xxe s ASP 122 N -1.74 6.76 0.54 3.58 2.15 -1.26 -4.80 116.67 121.89 1xxe s ASP 122 Ca 0.51 -2.22 -0.22 0.00 0.43 0.00 0.00 52.55 51.05 1xxe s ASP 122 Cb -0.16 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 39.90 1xxe s ASP 122 CO 0.21 -1.16 1.36 -0.31 -0.17 0.00 0.00 175.17 175.11 1xxe s TYR 123 N 3.63 2.30 -0.27 -5.34 1.51 -1.26 -4.71 117.35 113.21 1xxe s TYR 123 Ca 0.46 1.36 -0.10 0.00 -1.01 0.00 0.00 57.07 57.78 1xxe s TYR 123 Cb 0.00 -3.81 -0.05 0.00 -0.11 0.00 0.00 41.96 37.99 1xxe s TYR 123 CO -0.01 -2.90 0.17 0.12 -1.11 0.00 0.00 175.55 171.81 1xxe s PHE 124 N -1.30 3.20 -0.03 2.71 2.19 0.06 -4.98 117.98 119.84 1xxe s PHE 124 Ca 0.71 0.02 0.07 0.00 0.33 0.00 0.00 56.93 58.05 1xxe s PHE 124 Cb -0.41 -2.35 -0.01 0.00 -1.31 0.00 0.00 43.02 38.94 1xxe s PHE 124 CO 0.48 -0.19 -0.22 0.08 1.83 0.00 0.00 175.22 177.20 1xxe s VAL 125 N 1.71 1.77 0.15 3.12 1.01 -1.26 0.31 120.40 127.20 1xxe s VAL 125 Ca 0.07 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 1xxe s VAL 125 Cb -0.16 -1.48 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 1xxe s VAL 125 CO 0.09 0.50 0.73 -0.69 0.00 0.00 0.00 175.10 175.74 1xxe s VAL 126 N -0.41 4.44 -0.02 2.92 1.01 -0.64 -4.93 120.40 122.78 1xxe s VAL 126 Ca 0.06 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1xxe s VAL 126 Cb -0.10 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1xxe s VAL 126 CO 0.00 0.53 0.08 -0.62 0.00 0.00 0.00 175.10 175.09 1xxe n GLU 127 N 1.62 5.82 -3.92 2.72 1.02 -1.26 -4.21 120.64 122.44 1xxe n GLU 127 Ca -0.07 -0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 56.90 1xxe n GLU 127 Cb 0.49 -0.58 -0.12 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.89 0.24 1.05 3.49 -1.05 -1.26 -4.83 118.70 115.44 1xxe s GLU 128 Ca 0.00 -0.32 -0.17 0.00 -0.15 0.00 0.00 54.97 54.33 1xxe s GLU 128 Cb 0.00 0.09 0.23 0.00 -0.44 0.00 0.00 34.13 34.01 1xxe s GLU 128 CO 0.01 -0.04 1.22 -1.25 0.95 0.00 0.00 175.26 176.15 1xxe s PRO 129 N -0.88 -0.05 -0.20 -4.83 0.04 -1.26 -4.52 135.00 123.29 1xxe s PRO 129 Ca -0.10 -0.21 -0.28 0.00 0.04 0.00 0.00 61.00 60.45 1xxe s PRO 129 Cb -0.06 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 32.84 1xxe s PRO 129 CO -0.00 -2.91 0.90 -1.50 0.04 0.00 0.00 177.00 173.53 1xxe s ILE 130 N -3.49 0.00 -0.10 0.56 2.07 -0.83 -4.94 121.20 114.47 1xxe s ILE 130 Ca 0.72 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.96 1xxe s ILE 130 Cb -0.07 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.54 1xxe s ILE 130 CO 0.54 0.00 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.85 1xxe s ILE 131 N -0.40 1.09 -0.13 2.00 1.01 -1.26 -1.27 121.20 122.23 1xxe s ILE 131 Ca -0.02 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1xxe s ILE 131 Cb -0.03 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.40 1xxe s ILE 131 CO 0.00 0.37 -0.15 0.68 0.00 0.00 0.00 174.94 175.84 1xxe s VAL 132 N 1.32 1.56 -0.09 2.92 -7.23 -0.78 -5.00 120.40 113.11 1xxe s VAL 132 Ca -0.02 -0.65 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 1xxe s VAL 132 Cb -0.14 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.34 1xxe s VAL 132 CO -0.04 0.46 -0.21 -0.70 -0.31 0.00 0.00 175.10 174.29 1xxe s GLU 133 N 1.29 2.96 -0.18 4.82 -6.30 -1.26 -1.61 118.70 118.41 1xxe s GLU 133 Ca 0.00 -0.83 -0.33 0.00 -2.50 0.00 0.00 54.97 51.31 1xxe s GLU 133 Cb -0.14 -2.34 0.14 0.00 0.00 0.00 0.00 34.13 31.79 1xxe s GLU 133 CO -0.07 0.27 1.17 0.34 0.02 0.00 0.00 175.26 176.99 1xxe s ASP 134 N 0.14 -0.17 -1.96 -1.70 -1.08 -0.79 -4.95 116.67 106.16 1xxe s ASP 134 Ca -0.11 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.96 1xxe s ASP 134 Cb -0.16 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.47 1xxe s ASP 134 CO 0.06 -0.26 0.00 -0.62 0.52 0.00 0.00 175.17 174.88 1xxe n GLU 135 N 0.05 -1.41 -0.99 4.34 1.02 -1.26 -0.38 120.64 122.01 1xxe n GLU 135 Ca -0.02 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1xxe n GLU 135 Cb 0.59 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 136 N -0.34 0.73 3.83 0.62 0.00 -1.26 -5.00 105.19 103.78 1xxe n GLY 136 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.07 2.23 0.16 1.61 1.81 0.49 -5.01 118.95 120.16 1xxe s ARG 137 Ca 0.00 -2.15 -0.20 0.00 -1.72 0.00 0.00 55.73 51.66 1xxe s ARG 137 Cb 0.00 -1.87 0.05 0.00 -0.45 0.00 0.00 34.95 32.68 1xxe s ARG 137 CO 0.00 -0.47 0.54 -1.17 -0.68 0.00 0.00 175.30 173.52 1xxe s LEU 138 N -4.09 -0.21 -0.07 2.53 0.20 -1.02 -1.88 118.68 114.14 1xxe s LEU 138 Ca 0.24 -0.18 -0.14 0.00 0.69 0.00 0.00 54.13 54.75 1xxe s LEU 138 Cb -0.00 2.35 0.03 0.00 -0.43 0.00 0.00 46.19 48.13 1xxe s LEU 138 CO 0.14 -0.97 0.34 -0.63 -0.29 0.00 0.00 176.35 174.94 1xxe s ILE 139 N -3.79 0.03 -0.01 6.68 1.01 -0.64 -0.70 121.20 123.79 1xxe s ILE 139 Ca 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1xxe s ILE 139 Cb -0.00 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 1xxe s ILE 139 CO -0.10 -0.13 -0.10 -0.75 0.00 0.00 0.00 174.94 173.86 1xxe s LYS 140 N -0.57 0.80 -0.01 2.79 2.20 0.09 -1.86 119.74 123.19 1xxe s LYS 140 Ca -0.07 -0.36 0.08 0.00 -0.36 0.00 0.00 55.97 55.26 1xxe s LYS 140 Cb -0.04 -0.77 -0.02 0.00 -1.51 0.00 0.00 37.83 35.49 1xxe s LYS 140 CO 0.02 0.21 -0.24 0.00 -0.36 0.00 0.00 175.35 174.99 1xxe s ALA 141 N -0.25 2.00 -0.04 3.13 0.00 -0.40 -0.48 121.76 125.71 1xxe s ALA 141 Ca 0.04 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1xxe s ALA 141 Cb -0.04 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1xxe s ALA 141 CO -0.00 0.48 0.01 -2.00 0.00 0.00 0.00 175.76 174.25 1xxe s GLU 142 N -0.68 0.31 0.65 0.00 -6.30 0.62 -1.97 118.70 111.33 1xxe s GLU 142 Ca 0.09 0.12 -0.17 0.00 -2.50 0.00 0.00 54.97 52.52 1xxe s GLU 142 Cb -0.09 -0.58 -0.09 0.00 0.00 0.00 0.00 34.13 33.36 1xxe s GLU 142 CO -0.00 -0.19 0.21 -2.30 0.02 0.00 0.00 175.26 172.99 1xxe n PRO 143 N 4.49 0.23 -3.55 4.30 -0.02 -1.26 -0.04 135.00 139.15 1xxe n PRO 143 Ca -0.19 0.10 -0.07 0.00 -2.02 0.00 0.00 63.50 61.32 1xxe n PRO 143 Cb 0.50 -1.48 -0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1xxe n PRO 143 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xxe s SER 144 N -1.22 -0.26 0.00 2.55 0.15 -1.26 -4.31 113.70 109.35 1xxe s SER 144 Ca 0.61 0.01 0.27 0.00 0.70 0.00 0.00 55.95 57.55 1xxe s SER 144 Cb -0.40 0.27 0.88 0.00 -1.71 0.00 0.00 66.02 65.06 1xxe s SER 144 CO 0.62 -0.43 1.65 0.47 1.20 0.00 0.00 173.24 176.75 1xxe n ASP 145 N -0.13 1.73 -4.09 5.45 9.92 -1.26 -3.81 116.55 124.36 1xxe n ASP 145 Ca -0.04 -1.55 -0.17 0.00 -0.53 0.00 0.00 54.79 52.49 1xxe n ASP 145 Cb 0.60 0.01 -0.13 0.00 -0.64 0.00 0.00 41.12 40.96 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1xxe s THR 146 N -2.03 0.83 -0.30 -3.53 -4.23 -1.26 -4.92 115.64 100.20 1xxe s THR 146 Ca 0.35 -0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1xxe s THR 146 Cb 0.21 -0.79 0.01 0.00 1.34 0.00 0.00 72.50 73.27 1xxe s THR 146 CO 0.34 -0.11 1.01 -0.22 -0.54 0.00 0.00 174.62 175.10 1xxe s LEU 147 N -1.15 3.99 -0.02 4.79 2.96 -1.26 -3.18 118.68 124.81 1xxe s LEU 147 Ca -0.02 1.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 1xxe s LEU 147 Cb -0.08 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.18 1xxe s LEU 147 CO 0.01 -0.79 -0.04 -0.70 -1.32 0.00 0.00 176.35 173.51 1xxe s GLU 148 N 3.43 0.49 -0.10 1.98 2.12 -0.71 -3.00 118.70 122.92 1xxe s GLU 148 Ca 0.42 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.63 1xxe s GLU 148 Cb -0.13 -0.52 0.04 0.00 0.26 0.00 0.00 34.13 33.77 1xxe s GLU 148 CO 0.13 0.01 0.02 0.08 -0.54 0.00 0.00 175.26 174.95 1xxe s VAL 149 N 0.40 0.34 -0.13 3.70 1.01 -0.89 -0.26 120.40 124.57 1xxe s VAL 149 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1xxe s VAL 149 Cb -0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1xxe s VAL 149 CO -0.00 0.14 -0.02 -0.89 0.00 0.00 0.00 175.10 174.33 1xxe s THR 150 N 1.98 4.11 -0.09 3.92 2.01 0.30 -1.35 115.64 126.52 1xxe s THR 150 Ca 0.04 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.78 1xxe s THR 150 Cb -0.13 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1xxe s THR 150 CO -0.06 0.54 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.72 1xxe s TYR 151 N -0.15 2.36 -0.31 4.92 5.04 -1.00 0.27 117.35 128.47 1xxe s TYR 151 Ca 0.04 -0.93 -0.04 0.00 -2.44 0.00 0.00 57.07 53.70 1xxe s TYR 151 Cb -0.13 -1.59 0.04 0.00 0.35 0.00 0.00 41.96 40.64 1xxe s TYR 151 CO 0.02 -0.37 0.04 -2.00 -1.34 0.00 0.00 175.55 171.90 1xxe s GLU 152 N 0.34 2.57 0.13 4.97 2.12 0.24 -1.55 118.70 127.51 1xxe s GLU 152 Ca -0.17 -1.19 0.04 0.00 0.36 0.00 0.00 54.97 54.01 1xxe s GLU 152 Cb -0.17 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1xxe s GLU 152 CO 0.08 -0.61 0.14 0.20 -0.54 0.00 0.00 175.26 174.52 1xxe s GLY 153 N 1.33 1.86 -0.32 -1.50 0.00 -0.26 -1.17 107.32 107.26 1xxe s GLY 153 Ca -0.03 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 1xxe s GLY 153 CO 0.01 -1.09 0.19 -0.54 0.00 0.00 0.00 173.10 171.67 1xxe s GLU 154 N -2.82 0.35 0.06 2.90 2.02 -1.26 -1.79 118.70 118.15 1xxe s GLU 154 Ca 0.31 -0.76 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 1xxe s GLU 154 Cb -0.11 -1.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 1xxe s GLU 154 CO 0.24 -1.09 0.24 -0.06 0.02 0.00 0.00 175.26 174.60 1xxe s PHE 155 N 1.76 3.52 -1.80 1.61 0.40 0.14 -4.97 117.98 118.64 1xxe s PHE 155 Ca 0.12 0.36 0.29 0.00 -0.60 0.00 0.00 56.93 57.10 1xxe s PHE 155 Cb -0.18 -1.84 1.22 0.00 0.51 0.00 0.00 43.02 42.74 1xxe s PHE 155 CO -0.22 0.58 1.85 1.63 0.70 0.00 0.00 175.22 179.76 1xxe n LYS 156 N 0.46 0.85 0.00 0.44 4.76 -1.26 -2.67 118.16 120.75 1xxe n LYS 156 Ca -0.06 -0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.05 1xxe n LYS 156 Cb 0.52 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 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 -0.79 -0.23 0.30 4.39 0.23 -1.26 -4.79 115.26 113.10 1xxe n ASN 157 Ca 0.16 -0.65 0.19 0.00 -0.53 0.00 0.00 54.58 53.75 1xxe n ASN 157 Cb 0.28 0.00 1.02 0.00 -2.08 0.00 0.00 39.78 38.99 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 -0.92 0.00 0.44 -2.53 -0.00 -1.35 -2.54 116.94 110.04 1xxe h PHE 158 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 1xxe h PHE 158 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1xxe h PHE 158 CO 0.00 0.00 -0.24 -0.07 -0.00 0.00 0.00 178.31 178.00 1xxe h LEU 159 N 0.00 -0.58 0.00 2.10 3.38 -1.87 -3.47 115.31 114.88 1xxe h LEU 159 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xxe h LEU 159 Cb 0.24 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xxe h LEU 159 CO -0.00 -0.39 0.00 0.61 0.09 0.00 0.00 178.44 178.75 1xxe n GLY 160 N -1.37 1.51 3.18 0.83 0.00 -0.96 -4.79 105.19 103.59 1xxe n GLY 160 Ca -0.11 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1xxe n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 161 N 0.00 1.80 -0.21 1.61 0.52 -1.26 0.24 118.95 121.65 1xxe s ARG 161 Ca 0.00 -0.68 -0.19 0.00 -0.52 0.00 0.00 55.73 54.34 1xxe s ARG 161 Cb 0.00 -1.62 0.05 0.00 0.52 0.00 0.00 34.95 33.91 1xxe s ARG 161 CO 0.00 0.33 0.55 -1.14 0.02 0.00 0.00 175.30 175.06 1xxe s GLN 162 N -0.19 0.64 0.13 3.54 0.74 -0.74 -5.01 119.66 118.76 1xxe s GLN 162 Ca 0.01 0.78 0.07 0.00 0.05 0.00 0.00 55.36 56.27 1xxe s GLN 162 Cb -0.10 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.27 1xxe s GLN 162 CO 0.01 -0.08 -0.16 -1.59 -0.55 0.00 0.00 175.29 172.92 1xxe s LYS 163 N 0.37 1.09 -0.11 1.67 0.00 -1.26 -1.11 119.74 120.39 1xxe s LYS 163 Ca -0.01 -1.25 -0.02 0.00 0.00 0.00 0.00 55.97 54.70 1xxe s LYS 163 Cb -0.04 -1.08 0.04 0.00 0.00 0.00 0.00 37.83 36.74 1xxe s LYS 163 CO -0.00 0.22 0.01 0.12 0.00 0.00 0.00 175.35 175.70 1xxe s PHE 164 N -1.90 0.78 -0.26 1.78 5.36 -0.60 -4.99 117.98 118.16 1xxe s PHE 164 Ca 0.09 -0.39 -0.18 0.00 -0.96 0.00 0.00 56.93 55.50 1xxe s PHE 164 Cb -0.06 -0.88 -0.03 0.00 -0.34 0.00 0.00 43.02 41.71 1xxe s PHE 164 CO 0.04 -0.42 0.51 -0.08 -1.46 0.00 0.00 175.22 173.81 1xxe s THR 165 N 1.94 5.07 -0.13 0.12 -1.32 -1.26 -2.38 115.64 117.68 1xxe s THR 165 Ca 0.03 0.87 -0.08 0.00 -1.21 0.00 0.00 61.69 61.31 1xxe s THR 165 Cb -0.14 -3.82 -0.04 0.00 -1.51 0.00 0.00 72.50 66.99 1xxe s THR 165 CO -0.06 0.09 0.15 0.12 -2.21 0.00 0.00 174.62 172.71 1xxe s PHE 166 N 2.28 3.57 0.06 9.09 5.36 -0.46 -4.99 117.98 132.91 1xxe s PHE 166 Ca 0.21 0.52 0.02 0.00 -0.96 0.00 0.00 56.93 56.72 1xxe s PHE 166 Cb -0.16 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1xxe s PHE 166 CO 0.09 0.66 -0.08 0.08 -1.46 0.00 0.00 175.22 174.52 1xxe s VAL 167 N -0.81 0.61 0.03 3.12 1.01 -1.26 -2.09 120.40 121.01 1xxe s VAL 167 Ca 0.14 -1.39 -0.33 0.00 0.00 0.00 0.00 61.98 60.41 1xxe s VAL 167 Cb -0.12 -1.00 -0.11 0.00 0.00 0.00 0.00 36.38 35.14 1xxe s VAL 167 CO 0.03 -0.55 1.85 -0.62 0.00 0.00 0.00 175.10 175.81 1xxe n GLU 168 N 0.92 2.47 0.00 2.72 1.02 -1.16 -1.85 120.64 124.76 1xxe n GLU 168 Ca -0.19 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1xxe n GLU 168 Cb 0.57 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.22 1xxe n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 169 N 4.25 1.08 1.33 0.62 0.00 -1.26 -4.94 105.19 106.26 1xxe n GLY 169 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1xxe n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xxe n ASN 170 N 0.00 1.99 0.17 1.61 4.13 -0.77 -4.80 115.26 117.59 1xxe n ASN 170 Ca 0.00 -3.11 0.02 0.00 1.68 0.00 0.00 54.58 53.17 1xxe n ASN 170 Cb 0.00 -0.43 0.37 0.00 -1.54 0.00 0.00 39.78 38.18 1xxe n ASN 170 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1xxe h GLU 171 N 1.36 0.07 0.00 3.52 3.07 -1.93 -2.60 114.58 118.07 1xxe h GLU 171 Ca -0.03 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1xxe h GLU 171 Cb 1.38 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1xxe h GLU 171 CO 0.17 0.37 0.05 0.39 -1.40 0.00 0.00 179.01 178.59 1xxe n GLU 172 N -4.15 0.10 0.00 2.33 4.71 -1.26 -0.80 120.64 121.56 1xxe n GLU 172 Ca -0.02 0.59 0.13 0.00 -0.01 0.00 0.00 57.16 57.84 1xxe n GLU 172 Cb 0.37 -1.87 0.31 0.00 -1.01 0.00 0.00 31.44 29.24 1xxe n GLU 172 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xxe n GLU 173 N -2.03 1.01 -0.00 3.49 -0.58 -0.98 -4.06 120.64 117.49 1xxe n GLU 173 Ca -0.01 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.08 1xxe n GLU 173 Cb 0.07 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.46 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 0.38 -0.08 -3.67 -5.35 0.02 -4.62 119.36 105.61 1xxe n ILE 174 Ca 0.12 -0.69 -0.12 0.00 -0.27 0.00 0.00 62.75 61.79 1xxe n ILE 174 Cb 0.38 0.82 -0.15 0.00 -1.74 0.00 0.00 39.64 38.95 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 -0.14 1.50 1.72 7.28 0.24 -1.17 -4.18 118.33 123.57 1xxe n VAL 175 Ca 0.01 -0.78 0.15 0.00 -2.04 0.00 0.00 64.34 61.68 1xxe n VAL 175 Cb 0.11 -0.88 0.70 0.00 -1.47 0.00 0.00 33.84 32.30 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 -2.98 0.84 -4.64 1.34 4.77 -1.26 -2.26 117.00 112.81 1xxe n LEU 176 Ca -0.31 -0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 54.96 1xxe n LEU 176 Cb 1.09 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.16 1xxe n LEU 176 CO 0.40 0.14 1.08 0.00 -1.33 0.00 0.00 177.39 177.69 1xxe s ALA 177 N -2.00 3.52 0.30 -1.18 0.00 -1.26 -4.94 121.76 116.20 1xxe s ALA 177 Ca 0.42 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1xxe s ALA 177 Cb 0.21 -3.69 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1xxe s ALA 177 CO 0.35 -1.46 0.72 0.50 0.00 0.00 0.00 175.76 175.87 1xxe s ARG 178 N 3.79 4.04 0.27 0.00 3.52 -1.26 -4.58 118.95 124.73 1xxe s ARG 178 Ca 0.54 0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 56.52 1xxe s ARG 178 Cb -0.18 -2.54 -0.11 0.00 -1.56 0.00 0.00 34.95 30.57 1xxe s ARG 178 CO 0.18 0.22 1.53 -0.08 -0.81 0.00 0.00 175.30 176.34 1xxe s THR 179 N -1.88 2.32 0.54 4.11 -1.32 -0.70 -4.82 115.64 113.89 1xxe s THR 179 Ca 0.51 0.26 0.03 0.00 -1.21 0.00 0.00 61.69 61.28 1xxe s THR 179 Cb -0.12 -3.17 0.02 0.00 -1.51 0.00 0.00 72.50 67.73 1xxe s THR 179 CO 0.18 0.04 0.20 0.72 -2.21 0.00 0.00 174.62 173.55 1xxe s PHE 180 N 0.04 1.63 0.07 9.09 -0.71 -1.26 -2.39 117.98 124.44 1xxe s PHE 180 Ca 0.62 -0.95 -0.27 0.00 -1.04 0.00 0.00 56.93 55.30 1xxe s PHE 180 Cb -0.45 -1.73 0.09 0.00 -1.21 0.00 0.00 43.02 39.71 1xxe s PHE 180 CO 0.45 -0.15 0.81 0.00 -1.34 0.00 0.00 175.22 174.99 1xxe s PHE 182 N -3.34 3.29 0.41 0.00 0.08 -1.26 -0.60 117.98 116.56 1xxe s PHE 182 Ca 0.05 0.23 0.39 0.00 0.12 0.00 0.00 56.93 57.72 1xxe s PHE 182 Cb -0.01 -1.76 2.03 0.00 -0.57 0.00 0.00 43.02 42.71 1xxe s PHE 182 CO -0.08 0.55 2.19 0.38 -0.10 0.00 0.00 175.22 178.16 1xxe h ASP 183 N 4.32 0.00 0.83 1.36 2.03 -1.84 -1.24 116.42 121.88 1xxe h ASP 183 Ca -0.50 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 55.56 1xxe h ASP 183 Cb 1.19 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.66 1xxe h ASP 183 CO 0.61 0.00 -1.17 4.11 -1.03 0.00 0.00 179.24 181.76 1xxe h TRP 184 N 0.00 0.14 0.00 4.15 0.09 -1.94 -3.29 115.95 115.10 1xxe h TRP 184 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 58.89 58.88 1xxe h TRP 184 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.36 1xxe h TRP 184 CO 0.00 1.09 -0.88 -0.85 0.09 0.00 0.00 178.44 177.89 1xxe n GLU 185 N -3.36 0.31 0.08 0.12 0.28 -0.84 -4.24 120.64 112.98 1xxe n GLU 185 Ca -0.05 0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.87 1xxe n GLU 185 Cb 0.98 -1.64 -0.05 0.00 1.43 0.00 0.00 31.44 32.16 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 0.69 -0.34 3.84 2.04 -1.32 -2.27 117.51 120.16 1xxe h ILE 186 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1xxe h ILE 186 Cb 0.75 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 1xxe h ILE 186 CO 0.00 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.60 1xxe h GLU 187 N -0.24 -0.17 -0.66 2.37 5.08 -1.74 0.22 114.58 119.45 1xxe h GLU 187 Ca 0.03 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1xxe h GLU 187 Cb 0.27 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1xxe h GLU 187 CO -0.09 -0.11 0.22 0.45 -1.00 0.00 0.00 179.01 178.48 1xxe h HIS 188 N -0.17 0.37 -0.27 4.33 3.86 -1.72 1.09 115.15 122.63 1xxe h HIS 188 Ca 0.17 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1xxe h HIS 188 Cb 0.44 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1xxe h HIS 188 CO -0.42 0.04 -0.00 0.82 0.86 0.00 0.00 177.93 179.23 1xxe h ILE 189 N 0.37 1.17 0.00 2.45 2.04 -0.44 -1.60 117.51 121.50 1xxe h ILE 189 Ca 0.35 -0.66 -0.15 0.00 1.00 0.00 0.00 64.86 65.40 1xxe h ILE 189 Cb 0.49 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1xxe h ILE 189 CO -0.37 0.22 -0.72 0.11 0.00 0.00 0.00 178.15 177.39 1xxe h LYS 190 N 0.40 0.00 0.00 2.37 1.57 0.27 -1.29 116.57 119.89 1xxe h LYS 190 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1xxe h LYS 190 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xxe h LYS 190 CO 0.01 0.66 -0.11 0.87 -0.57 0.00 0.00 179.45 180.31 1xxe h LYS 191 N 0.00 0.00 -0.53 3.15 1.57 0.17 -3.10 116.57 117.83 1xxe h LYS 191 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xxe h LYS 191 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 1xxe h LYS 191 CO 0.09 0.11 0.00 1.33 -0.57 0.00 0.00 179.45 180.41 1xxe n VAL 192 N -3.13 0.85 -1.53 0.50 0.24 -0.66 -4.87 118.33 109.73 1xxe n VAL 192 Ca 0.03 -0.59 -0.03 0.00 -2.04 0.00 0.00 64.34 61.71 1xxe n VAL 192 Cb 0.56 0.03 -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 0.83 0.46 3.45 7.63 0.00 -1.17 -5.04 105.19 111.34 1xxe n GLY 193 Ca 0.13 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.85 2.56 -0.28 0.99 1.43 -0.49 -4.75 118.68 117.28 1xxe s LEU 194 Ca 0.00 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1xxe s LEU 194 Cb 0.00 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1xxe s LEU 194 CO 0.00 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1xxe n GLY 195 N -0.60 0.53 0.27 -3.19 0.00 -1.24 -3.36 105.19 97.59 1xxe n GLY 195 Ca -0.06 -0.92 0.16 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.29 116.57 116.22 1xxe h LYS 196 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1xxe h LYS 196 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xxe h LYS 196 CO 0.08 0.06 -0.49 0.41 -0.57 0.00 0.00 179.45 178.94 1xxe n GLY 197 N -0.16 -0.08 3.69 3.86 0.00 1.02 -4.59 105.19 108.94 1xxe n GLY 197 Ca -0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.37 1.36 0.13 -0.02 0.00 0.70 -4.67 107.32 102.46 1xxe s GLY 198 Ca 0.16 1.43 -0.01 0.00 0.00 0.00 0.00 44.72 46.30 1xxe s GLY 198 CO 0.56 3.08 0.05 -0.45 0.00 0.00 0.00 173.10 176.33 1xxe s SER 199 N 2.50 0.44 0.00 1.64 0.15 -1.26 -5.01 113.70 112.16 1xxe s SER 199 Ca 0.79 -1.20 0.16 0.00 0.70 0.00 0.00 55.95 56.41 1xxe s SER 199 Cb -0.45 0.27 0.75 0.00 -1.71 0.00 0.00 66.02 64.88 1xxe s SER 199 CO 0.35 -0.70 1.50 0.18 1.20 0.00 0.00 173.24 175.77 1xxe n LEU 200 N -0.11 0.00 -0.28 3.45 4.77 -1.26 -0.72 117.00 122.85 1xxe n LEU 200 Ca -0.06 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1xxe n LEU 200 Cb 0.64 -0.40 0.23 0.00 -2.33 0.00 0.00 43.42 41.56 1xxe n LEU 200 CO 0.31 -0.18 0.50 1.17 -1.33 0.00 0.00 177.39 177.86 1xxe n LYS 201 N -1.40 0.83 -0.22 3.23 4.81 -1.26 -4.23 118.16 119.92 1xxe n LYS 201 Ca 0.06 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 56.93 1xxe n LYS 201 Cb 0.16 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.72 1xxe n LYS 201 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xxe n ASN 202 N -0.59 0.00 -3.63 3.14 3.02 -0.77 -4.76 115.26 111.67 1xxe n ASN 202 Ca 0.10 -1.36 -0.09 0.00 -0.03 0.00 0.00 54.58 53.20 1xxe n ASN 202 Cb 0.38 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.63 -0.48 3.41 2.01 0.10 -4.24 115.64 115.81 1xxe s THR 203 Ca 0.00 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 1xxe s THR 203 Cb 0.00 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1xxe s THR 203 CO 0.00 0.06 1.13 -0.22 -0.69 0.00 0.00 174.62 174.89 1xxe s LEU 204 N 2.59 3.65 -0.19 4.42 2.96 -1.01 -4.44 118.68 126.66 1xxe s LEU 204 Ca -0.00 0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 1xxe s LEU 204 Cb -0.12 -3.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1xxe s LEU 204 CO -0.13 -1.25 0.22 -0.69 -1.32 0.00 0.00 176.35 173.18 1xxe s VAL 205 N 4.44 5.34 0.07 1.68 1.01 -1.26 -0.15 120.40 131.53 1xxe s VAL 205 Ca 0.47 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.86 1xxe s VAL 205 Cb -0.07 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1xxe s VAL 205 CO 0.31 0.38 -0.05 -0.76 0.00 0.00 0.00 175.10 174.98 1xxe s LEU 206 N 0.63 3.24 0.19 3.92 1.43 0.23 -2.41 118.68 125.92 1xxe s LEU 206 Ca 0.12 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1xxe s LEU 206 Cb -0.13 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1xxe s LEU 206 CO 0.02 0.21 0.14 -0.83 0.23 0.00 0.00 176.35 176.12 1xxe s GLY 207 N -2.03 1.64 0.54 -3.19 0.00 0.50 -2.39 107.32 102.38 1xxe s GLY 207 Ca 0.22 -1.29 0.43 0.00 0.00 0.00 0.00 44.72 44.08 1xxe s GLY 207 CO 0.14 -1.31 1.65 1.70 0.00 0.00 0.00 173.10 175.28 1xxe h LYS 208 N 2.19 0.02 0.00 2.90 3.64 -1.98 -2.80 116.57 120.54 1xxe h LYS 208 Ca -0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1xxe h LYS 208 Cb 1.21 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1xxe h LYS 208 CO 0.62 0.01 -0.08 -3.47 -2.27 0.00 0.00 179.45 174.27 1xxe n ASP 209 N -4.12 0.00 -3.97 4.20 2.03 -1.26 -1.09 116.55 112.34 1xxe n ASP 209 Ca 0.38 -1.15 -0.11 0.00 0.52 0.00 0.00 54.79 54.43 1xxe n ASP 209 Cb 1.70 -0.03 -0.12 0.00 -0.72 0.00 0.00 41.12 41.95 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1xxe s LYS 210 N 0.00 0.28 -0.22 -0.67 1.02 -1.06 -4.96 119.74 114.13 1xxe s LYS 210 Ca 0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 1xxe s LYS 210 Cb 0.00 0.00 -0.05 0.00 -0.52 0.00 0.00 37.83 37.26 1xxe s LYS 210 CO 0.00 -0.02 0.13 0.08 -0.92 0.00 0.00 175.35 174.62 1xxe s VAL 211 N -1.05 5.22 -0.05 3.17 1.01 -1.26 0.19 120.40 127.62 1xxe s VAL 211 Ca -0.11 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 1xxe s VAL 211 Cb -0.07 -3.40 -0.16 0.00 0.00 0.00 0.00 36.38 32.74 1xxe s VAL 211 CO -0.01 0.39 0.87 1.88 0.00 0.00 0.00 175.10 178.24 1xxe h TYR 212 N 7.17 -0.19 -2.71 5.22 -1.99 -1.83 -3.44 116.97 119.19 1xxe h TYR 212 Ca -0.39 -0.00 -0.56 0.00 2.00 0.00 0.00 58.73 59.78 1xxe h TYR 212 Cb 1.16 0.06 0.07 0.00 2.00 0.00 0.00 36.73 40.03 1xxe h TYR 212 CO 0.63 0.25 0.83 0.09 -0.00 0.00 0.00 178.16 179.95 1xxe n ASN 213 N -4.92 3.43 0.04 3.88 4.13 -1.26 -4.85 115.26 115.71 1xxe n ASN 213 Ca -0.08 1.11 0.10 0.00 1.68 0.00 0.00 54.58 57.39 1xxe n ASN 213 Cb 0.26 -1.51 0.41 0.00 -1.54 0.00 0.00 39.78 37.41 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 2.90 0.07 0.00 3.52 -0.04 -1.26 -2.69 135.00 137.50 1xxe n PRO 214 Ca 0.13 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 1xxe n PRO 214 Cb 0.33 -1.61 0.27 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.74 0.22 0.00 0.54 2.13 -1.26 -5.05 120.64 115.47 1xxe n GLU 215 Ca 0.04 -0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1xxe n GLU 215 Cb 0.23 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.45 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 1.46 -1.20 3.76 8.31 0.00 -1.10 -4.75 105.19 111.68 1xxe n GLY 216 Ca 0.07 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 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 4.50 0.14 0.99 1.43 -1.26 -4.93 118.68 119.54 1xxe s LEU 217 Ca 0.00 1.98 0.27 0.00 -1.03 0.00 0.00 54.13 55.35 1xxe s LEU 217 Cb 0.00 -3.79 0.96 0.00 0.03 0.00 0.00 46.19 43.40 1xxe s LEU 217 CO 0.00 -0.02 1.82 -1.14 0.23 0.00 0.00 176.35 177.25 1xxe n ARG 218 N 1.02 0.17 -3.80 1.70 3.00 -1.26 -4.82 116.66 112.67 1xxe n ARG 218 Ca -0.00 0.15 -0.12 0.00 -0.00 0.00 0.00 57.85 57.88 1xxe n ARG 218 Cb 0.48 -1.70 -0.08 0.00 0.00 0.00 0.00 32.46 31.16 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 -3.07 -0.06 0.53 -0.14 2.02 -1.26 -4.94 117.35 110.42 1xxe s TYR 219 Ca 0.12 -0.03 0.40 0.00 -0.37 0.00 0.00 57.07 57.18 1xxe s TYR 219 Cb 0.14 0.04 2.15 0.00 -0.40 0.00 0.00 41.96 43.90 1xxe s TYR 219 CO 0.56 -0.42 2.21 0.93 -1.57 0.00 0.00 175.55 177.26 1xxe h GLU 220 N 3.61 0.00 -0.37 -0.62 3.07 -2.04 -1.69 114.58 116.54 1xxe h GLU 220 Ca -0.31 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.28 1xxe h GLU 220 Cb 1.19 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 28.72 1xxe h GLU 220 CO 0.44 0.00 -1.01 0.09 -1.40 0.00 0.00 179.01 177.13 1xxe n ASN 221 N -2.92 2.06 -0.26 1.42 4.13 -1.26 -4.88 115.26 113.55 1xxe n ASN 221 Ca -0.03 -2.45 -0.00 0.00 1.68 0.00 0.00 54.58 53.78 1xxe n ASN 221 Cb 0.10 -0.42 0.21 0.00 -1.54 0.00 0.00 39.78 38.12 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 2.09 1.08 -0.13 3.52 4.81 -1.67 0.23 114.58 124.52 1xxe h GLU 222 Ca -0.06 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1xxe h GLU 222 Cb 1.43 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1xxe h GLU 222 CO 0.26 0.72 -0.16 -1.35 -0.73 0.00 0.00 179.01 177.75 1xxe h PRO 223 N 1.12 0.33 0.00 0.92 0.11 -1.88 -1.64 132.00 130.96 1xxe h PRO 223 Ca 0.31 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1xxe h PRO 223 Cb -0.12 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1xxe h PRO 223 CO -0.07 0.75 -0.29 -0.39 -0.21 0.00 0.00 178.00 177.79 1xxe h VAL 224 N -0.07 0.61 -0.33 3.15 -1.51 -1.91 -2.62 116.25 113.57 1xxe h VAL 224 Ca 0.02 -1.42 -0.09 0.00 -1.23 0.00 0.00 66.70 63.97 1xxe h VAL 224 Cb 0.70 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1xxe h VAL 224 CO 0.04 0.28 -0.15 0.03 -1.23 0.00 0.00 177.57 176.54 1xxe h ARG 225 N 0.00 0.68 -0.78 5.19 3.08 -0.43 -2.14 114.38 119.99 1xxe h ARG 225 Ca -0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1xxe h ARG 225 Cb 0.94 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.94 1xxe h ARG 225 CO 0.04 0.89 0.46 1.25 -1.07 0.00 0.00 179.97 181.53 1xxe h HIS 226 N 0.46 1.03 -0.71 3.04 2.76 -1.07 -0.95 115.15 119.71 1xxe h HIS 226 Ca 0.07 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1xxe h HIS 226 Cb 0.68 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.25 1xxe h HIS 226 CO 0.06 0.70 0.42 -0.22 -1.30 0.00 0.00 177.93 177.59 1xxe h LYS 227 N 1.07 0.77 -0.46 5.26 1.63 -1.20 0.27 116.57 123.90 1xxe h LYS 227 Ca 0.28 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1xxe h LYS 227 Cb -0.02 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 1xxe h LYS 227 CO -0.05 0.51 0.28 0.28 -3.45 0.00 0.00 179.45 177.02 1xxe h VAL 228 N 0.79 1.14 -0.96 2.00 2.07 -0.68 0.36 116.25 120.98 1xxe h VAL 228 Ca 0.30 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1xxe h VAL 228 Cb 0.13 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1xxe h VAL 228 CO -0.15 0.15 0.60 0.15 0.02 0.00 0.00 177.57 178.34 1xxe h PHE 229 N 0.62 1.11 -0.11 1.57 3.57 0.01 -1.09 116.94 122.62 1xxe h PHE 229 Ca 0.17 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.49 1xxe h PHE 229 Cb -0.01 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.38 1xxe h PHE 229 CO -0.03 0.50 -0.78 -0.44 -2.23 0.00 0.00 178.31 175.33 1xxe h ASP 230 N 1.03 0.74 -0.68 0.41 5.19 -0.07 -2.53 116.42 120.51 1xxe h ASP 230 Ca 0.45 -0.50 0.10 0.00 -0.62 0.00 0.00 57.03 56.46 1xxe h ASP 230 Cb 0.33 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 1xxe h ASP 230 CO -0.22 1.28 0.45 0.25 -3.12 0.00 0.00 179.24 177.88 1xxe h LEU 231 N 0.42 0.49 -0.03 1.55 5.85 0.93 -0.52 115.31 123.99 1xxe h LEU 231 Ca -0.05 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1xxe h LEU 231 Cb 1.39 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1xxe h LEU 231 CO 0.15 0.29 -0.16 0.40 -0.34 0.00 0.00 178.44 178.78 1xxe h ILE 232 N 0.54 1.48 -1.02 4.05 2.04 -1.24 -2.01 117.51 121.34 1xxe h ILE 232 Ca 0.32 -1.64 0.26 0.00 1.00 0.00 0.00 64.86 64.80 1xxe h ILE 232 Cb 0.51 2.46 -0.08 0.00 -0.74 0.00 0.00 36.82 38.98 1xxe h ILE 232 CO -0.10 0.45 0.68 1.23 0.00 0.00 0.00 178.15 180.41 1xxe h GLY 233 N -0.41 0.87 1.84 5.37 0.00 -0.76 0.55 103.07 110.52 1xxe h GLY 233 Ca -0.01 -0.16 -0.17 0.00 0.00 0.00 0.00 47.33 47.00 1xxe h GLY 233 CO 0.03 -0.08 -0.88 -0.55 0.00 0.00 0.00 176.54 175.06 1xxe h ASP 234 N 0.31 0.00 1.86 0.19 3.32 -1.02 -3.24 116.42 117.83 1xxe h ASP 234 Ca 0.55 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.58 1xxe h ASP 234 Cb 1.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.11 1xxe h ASP 234 CO -0.21 0.76 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.87 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.69 -3.07 115.31 117.86 1xxe h LEU 235 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xxe h LEU 235 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1xxe h LEU 235 CO 0.09 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1xxe n TYR 236 N -3.10 0.00 0.01 1.13 9.36 0.60 -2.96 117.16 122.20 1xxe n TYR 236 Ca 0.03 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.47 1xxe n TYR 236 Cb 0.57 -0.46 0.72 0.00 -0.63 0.00 0.00 39.34 39.54 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 -0.51 2.98 3.38 -1.66 0.50 115.31 120.00 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 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1xxe h LEU 237 CO 0.00 0.00 0.14 0.18 0.09 0.00 0.00 178.44 178.85 1xxe n LEU 238 N -4.08 0.20 -0.04 1.67 4.77 -1.16 -3.52 117.00 114.84 1xxe n LEU 238 Ca 0.10 0.50 -0.01 0.00 -0.03 0.00 0.00 56.01 56.58 1xxe n LEU 238 Cb 0.66 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1xxe n LEU 238 CO 0.33 -0.57 -0.01 0.61 -1.33 0.00 0.00 177.39 176.43 1xxe n GLY 239 N -1.34 0.47 3.50 -0.72 0.00 0.18 -4.99 105.19 102.29 1xxe n GLY 239 Ca -0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1xxe n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxe s SER 240 N -2.22 -0.62 0.10 1.61 1.04 -1.25 -4.86 113.70 107.51 1xxe s SER 240 Ca 0.00 0.80 -0.35 0.00 0.48 0.00 0.00 55.95 56.88 1xxe s SER 240 Cb 0.00 0.71 -0.18 0.00 0.10 0.00 0.00 66.02 66.65 1xxe s SER 240 CO 0.00 -0.50 0.98 -2.65 0.98 0.00 0.00 173.24 172.04 1xxe n PRO 241 N 1.38 0.40 -3.74 4.02 -0.02 -1.26 -4.58 135.00 131.20 1xxe n PRO 241 Ca -0.18 0.14 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1xxe n PRO 241 Cb 0.56 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.43 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 -0.28 5.35 -0.17 -1.45 1.01 -1.26 -0.76 120.40 122.84 1xxe s VAL 242 Ca 0.79 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1xxe s VAL 242 Cb -1.05 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1xxe s VAL 242 CO 0.55 0.42 -0.16 -0.75 0.00 0.00 0.00 175.10 175.17 1xxe s LYS 243 N 0.50 3.17 0.00 2.72 2.47 0.15 -4.69 119.74 124.06 1xxe s LYS 243 Ca 0.08 -0.76 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 1xxe s LYS 243 Cb -0.12 -2.64 0.00 0.00 -1.46 0.00 0.00 37.83 33.61 1xxe s LYS 243 CO -0.01 -0.06 0.00 0.41 0.16 0.00 0.00 175.35 175.85 1xxe n GLY 244 N 4.27 1.25 3.42 5.54 0.00 -1.19 -1.61 105.19 116.87 1xxe n GLY 244 Ca -0.19 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.97 3.04 0.08 1.61 2.20 0.94 -1.73 119.74 123.89 1xxe s LYS 245 Ca 0.00 -0.94 0.06 0.00 -0.36 0.00 0.00 55.97 54.73 1xxe s LYS 245 Cb 0.00 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1xxe s LYS 245 CO 0.00 -0.62 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.22 1xxe s PHE 246 N 1.61 2.77 -0.03 4.03 0.40 0.64 -0.28 117.98 127.12 1xxe s PHE 246 Ca 0.04 -0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 1xxe s PHE 246 Cb -0.18 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.87 1xxe s PHE 246 CO 0.08 0.40 -0.11 -0.47 0.70 0.00 0.00 175.22 175.82 1xxe s TYR 247 N -1.15 1.12 -0.06 0.36 6.14 0.36 -0.53 117.35 123.59 1xxe s TYR 247 Ca 0.20 -0.29 0.01 0.00 0.64 0.00 0.00 57.07 57.63 1xxe s TYR 247 Cb -0.11 -0.79 0.02 0.00 0.42 0.00 0.00 41.96 41.50 1xxe s TYR 247 CO 0.12 -0.12 -0.07 0.45 0.64 0.00 0.00 175.55 176.57 1xxe s SER 248 N 0.17 1.43 -0.26 4.32 0.15 0.14 -0.73 113.70 118.93 1xxe s SER 248 Ca -0.03 -0.21 -0.06 0.00 0.70 0.00 0.00 55.95 56.35 1xxe s SER 248 Cb -0.09 -0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1xxe s SER 248 CO 0.01 -0.04 0.03 0.12 1.20 0.00 0.00 173.24 174.56 1xxe s PHE 249 N 0.97 3.06 -0.19 3.44 5.36 0.12 -0.59 117.98 130.15 1xxe s PHE 249 Ca -0.10 -0.87 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 1xxe s PHE 249 Cb -0.15 -2.19 0.00 0.00 -0.34 0.00 0.00 43.02 40.35 1xxe s PHE 249 CO 0.00 -0.52 0.00 0.54 -1.46 0.00 0.00 175.22 173.78 1xxe n ARG 250 N 4.84 -1.43 -0.70 10.12 5.12 -0.32 -2.43 116.66 131.87 1xxe n ARG 250 Ca -0.16 0.13 -0.29 0.00 -1.93 0.00 0.00 57.85 55.60 1xxe n ARG 250 Cb 0.50 -3.69 0.25 0.00 -1.16 0.00 0.00 32.46 28.35 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 -0.87 1.52 0.00 -0.13 0.00 -1.26 -4.75 107.32 101.82 1xxe s GLY 251 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1xxe s GLY 251 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.06 1xxe n GLY 252 N 0.34 4.14 0.13 0.20 0.00 -1.26 -5.00 105.19 103.74 1xxe n GLY 252 Ca 0.06 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 0.92 -0.22 -0.83 1.61 3.86 -1.97 0.17 115.15 118.69 1xxe h HIS 253 Ca 0.00 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.32 1xxe h HIS 253 Cb 0.00 0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.46 1xxe h HIS 253 CO 0.00 0.08 0.45 0.66 0.86 0.00 0.00 177.93 179.98 1xxe h SER 254 N -0.52 0.60 0.12 2.45 4.64 -1.90 0.33 113.55 119.28 1xxe h SER 254 Ca -0.02 0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 1xxe h SER 254 Cb 0.39 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1xxe h SER 254 CO 0.04 0.30 -0.68 0.25 -0.87 0.00 0.00 176.83 175.88 1xxe h LEU 255 N 0.71 0.59 -0.44 5.97 5.85 -1.94 -2.69 115.31 123.37 1xxe h LEU 255 Ca 0.43 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xxe h LEU 255 Cb 0.50 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1xxe h LEU 255 CO -0.30 1.10 0.16 0.78 -0.34 0.00 0.00 178.44 179.84 1xxe h ASN 256 N 0.36 0.62 -0.57 1.25 2.35 0.11 -2.14 115.58 117.56 1xxe h ASN 256 Ca -0.02 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1xxe h ASN 256 Cb 1.25 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.41 1xxe h ASN 256 CO 0.12 0.64 0.31 0.58 -1.65 0.00 0.00 177.43 177.43 1xxe h VAL 257 N 0.56 0.97 -0.45 2.81 2.07 -0.37 -1.44 116.25 120.41 1xxe h VAL 257 Ca 0.14 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1xxe h VAL 257 Cb 0.22 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1xxe h VAL 257 CO -0.01 0.11 0.13 0.11 0.02 0.00 0.00 177.57 177.93 1xxe h LYS 258 N 0.58 0.27 -0.67 1.57 1.57 -1.11 0.52 116.57 119.31 1xxe h LYS 258 Ca 0.25 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1xxe h LYS 258 Cb 0.15 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 1xxe h LYS 258 CO -0.16 0.18 0.28 1.25 -0.57 0.00 0.00 179.45 180.42 1xxe h LEU 259 N 0.28 0.30 -0.26 2.94 5.85 -0.65 0.58 115.31 124.35 1xxe h LEU 259 Ca 0.22 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 1xxe h LEU 259 Cb 0.24 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1xxe h LEU 259 CO -0.25 0.16 -0.24 0.58 -0.34 0.00 0.00 178.44 178.36 1xxe h VAL 260 N 0.47 1.31 -0.33 1.05 2.07 -0.37 -1.87 116.25 118.58 1xxe h VAL 260 Ca 0.34 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.51 1xxe h VAL 260 Cb 0.43 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1xxe h VAL 260 CO -0.32 0.44 0.08 0.11 0.02 0.00 0.00 177.57 177.90 1xxe h LYS 261 N 0.35 0.19 -0.48 1.57 1.79 0.10 0.37 116.57 120.47 1xxe h LYS 261 Ca 0.04 -0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 1xxe h LYS 261 Cb 0.79 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1xxe h LYS 261 CO 0.06 0.13 -0.21 0.93 -1.08 0.00 0.00 179.45 179.28 1xxe h GLU 262 N 0.20 0.97 -0.36 3.15 5.08 -0.92 -1.90 114.58 120.79 1xxe h GLU 262 Ca 0.15 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1xxe h GLU 262 Cb 0.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xxe h GLU 262 CO -0.19 1.07 0.07 -0.07 -1.00 0.00 0.00 179.01 178.89 1xxe h LEU 263 N 0.84 0.56 -1.33 1.33 3.38 -0.75 0.68 115.31 120.01 1xxe h LEU 263 Ca 0.11 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1xxe h LEU 263 Cb 0.77 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1xxe h LEU 263 CO 0.06 0.67 -0.10 0.00 0.09 0.00 0.00 178.44 179.16 1xxe h ALA 264 N 0.91 1.45 0.01 1.53 0.00 -0.17 0.32 119.26 123.32 1xxe h ALA 264 Ca 0.11 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1xxe h ALA 264 Cb 0.34 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1xxe h ALA 264 CO 0.01 0.38 -1.50 0.87 0.00 0.00 0.00 179.25 179.01 1xxe h LYS 265 N 0.31 0.02 -0.10 0.00 1.57 -1.05 -3.35 116.57 113.97 1xxe h LYS 265 Ca 0.06 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1xxe h LYS 265 Cb 0.38 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1xxe h LYS 265 CO 0.02 0.70 -0.51 0.87 -0.57 0.00 0.00 179.45 179.96 1xxe h LYS 266 N 0.01 0.53 0.00 3.15 1.57 0.67 -2.81 116.57 119.69 1xxe h LYS 266 Ca -0.21 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1xxe h LYS 266 Cb 1.95 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1xxe h LYS 266 CO 0.10 1.06 0.00 0.94 -0.57 0.00 0.00 179.45 180.98 1xxe n GLN 267 N -4.23 0.12 -0.34 3.15 7.27 0.11 -2.91 117.38 120.56 1xxe n GLN 267 Ca -0.08 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.95 1xxe n GLN 267 Cb 0.60 -1.45 0.02 0.00 2.41 0.00 0.00 30.24 31.83 1xxe n GLN 267 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1xxe n LYS 268 N -0.95 1.22 0.00 3.69 4.81 -1.06 -4.17 118.16 121.70 1xxe n LYS 268 Ca 0.03 -0.48 0.09 0.00 -0.87 0.00 0.00 58.31 57.07 1xxe n LYS 268 Cb 0.01 -1.19 0.40 0.00 0.02 0.00 0.00 35.03 34.27 1xxe n LYS 268 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xxe n LEU 269 N 0.55 0.00 0.00 3.14 4.77 -1.14 -5.13 117.00 119.19 1xxe n LEU 269 Ca 0.10 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1xxe n LEU 269 Cb 0.63 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1xxe n LEU 269 CO 0.11 -0.18 0.18 0.35 -1.33 0.00 0.00 177.39 176.52