#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aha h LYS 3 N 0.00 -0.28 -0.01 -1.46 2.10 -1.96 0.81 116.57 115.77 2aha h LYS 3 Ca 0.00 0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.68 2aha h LYS 3 Cb 0.00 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 2aha h LYS 3 CO 0.00 -0.19 -0.03 0.78 -2.00 0.00 0.00 179.45 178.02 2aha h GLY 4 N -0.29 -0.02 1.00 0.07 0.00 -1.75 -2.02 103.07 100.07 2aha h GLY 4 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2aha h GLY 4 CO -0.09 -0.03 0.34 0.83 0.00 0.00 0.00 176.54 177.58 2aha h GLU 5 N -0.05 0.94 -0.54 4.80 5.08 -1.73 -1.68 114.58 121.41 2aha h GLU 5 Ca 0.02 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2aha h GLU 5 Cb 0.07 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2aha h GLU 5 CO -0.04 0.73 0.37 0.93 -1.00 0.00 0.00 179.01 180.00 2aha h GLU 6 N 0.91 0.32 0.00 2.33 5.08 0.11 -1.90 114.58 121.43 2aha h GLU 6 Ca 0.23 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2aha h GLU 6 Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2aha h GLU 6 CO -0.03 0.21 0.00 -0.07 -1.00 0.00 0.00 179.01 178.12 2aha h LEU 7 N 0.33 0.00 -3.13 1.33 3.38 -0.59 -2.82 115.31 113.80 2aha h LEU 7 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2aha h LEU 7 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2aha h LEU 7 CO -0.06 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.96 2aha n PHE 8 N -2.80 0.60 -0.23 1.13 3.72 -0.71 -4.72 117.46 114.46 2aha n PHE 8 Ca -0.02 -0.82 0.07 0.00 -0.05 0.00 0.00 57.45 56.62 2aha n PHE 8 Cb 0.08 -0.22 0.33 0.00 -0.94 0.00 0.00 39.48 38.73 2aha n PHE 8 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2aha h THR 9 N 1.33 1.01 -1.16 4.37 2.02 -1.54 -3.37 112.91 115.56 2aha h THR 9 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2aha h THR 9 Cb 1.18 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2aha h THR 9 CO 0.13 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.78 2aha n GLY 10 N -1.43 4.80 3.74 2.16 0.00 -1.26 -4.69 105.19 108.51 2aha n GLY 10 Ca 0.12 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 2aha n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aha s VAL 11 N 2.06 4.67 -0.06 1.61 1.01 -1.26 -4.30 120.40 124.13 2aha s VAL 11 Ca 0.00 1.78 0.02 0.00 0.00 0.00 0.00 61.98 63.79 2aha s VAL 11 Cb 0.00 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2aha s VAL 11 CO 0.00 0.34 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 2aha s VAL 12 N 0.03 1.08 0.30 2.92 1.01 0.28 -4.92 120.40 121.11 2aha s VAL 12 Ca 0.42 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 2aha s VAL 12 Cb -0.21 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 2aha s VAL 12 CO 0.25 0.34 1.19 -2.16 0.00 0.00 0.00 175.10 174.72 2aha s PRO 13 N 0.61 4.52 0.02 2.72 0.04 -1.26 -0.43 135.00 141.21 2aha s PRO 13 Ca -0.13 1.98 0.07 0.00 0.04 0.00 0.00 61.00 62.95 2aha s PRO 13 Cb -0.15 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 2aha s PRO 13 CO 0.03 0.05 -0.19 0.42 0.04 0.00 0.00 177.00 177.35 2aha s ILE 14 N -1.15 2.69 -0.05 0.56 1.01 -0.12 -0.96 121.20 123.19 2aha s ILE 14 Ca 0.46 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 60.04 2aha s ILE 14 Cb -0.35 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.03 2aha s ILE 14 CO 0.46 0.42 -0.13 -0.22 0.00 0.00 0.00 174.94 175.46 2aha s LEU 15 N -1.18 1.77 -0.09 2.97 2.96 -0.49 -0.97 118.68 123.65 2aha s LEU 15 Ca 0.13 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2aha s LEU 15 Cb -0.10 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.77 2aha s LEU 15 CO 0.03 0.08 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.28 2aha s VAL 16 N 0.37 1.60 -0.16 1.68 1.01 0.12 -1.24 120.40 123.78 2aha s VAL 16 Ca -0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2aha s VAL 16 Cb -0.13 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2aha s VAL 16 CO 0.03 0.46 -0.03 -1.61 0.00 0.00 0.00 175.10 173.95 2aha s GLU 17 N 0.63 1.17 -0.04 2.72 0.41 -0.42 0.23 118.70 123.40 2aha s GLU 17 Ca -0.14 -0.40 0.06 0.00 -0.41 0.00 0.00 54.97 54.08 2aha s GLU 17 Cb -0.16 -1.86 -0.02 0.00 -1.78 0.00 0.00 34.13 30.30 2aha s GLU 17 CO 0.04 -0.45 -0.21 -1.17 -0.49 0.00 0.00 175.26 172.98 2aha s LEU 18 N 1.73 2.33 -0.21 1.80 0.20 -0.34 -0.47 118.68 123.71 2aha s LEU 18 Ca 0.01 -0.37 0.02 0.00 0.69 0.00 0.00 54.13 54.48 2aha s LEU 18 Cb -0.15 -1.43 0.04 0.00 -0.43 0.00 0.00 46.19 44.21 2aha s LEU 18 CO -0.07 0.31 -0.16 -0.62 -0.29 0.00 0.00 176.35 175.52 2aha s ASP 19 N -0.54 3.69 0.24 3.68 2.15 -0.40 -1.58 116.67 123.90 2aha s ASP 19 Ca 0.08 -0.97 0.08 0.00 0.43 0.00 0.00 52.55 52.16 2aha s ASP 19 Cb -0.11 -1.49 -0.05 0.00 -0.30 0.00 0.00 42.92 40.97 2aha s ASP 19 CO 0.01 -0.09 -0.13 -0.83 -0.17 0.00 0.00 175.17 173.96 2aha s GLY 20 N 1.22 1.63 -0.22 2.66 0.00 0.44 -0.06 107.32 112.99 2aha s GLY 20 Ca -0.01 -1.77 -0.03 0.00 0.00 0.00 0.00 44.72 42.90 2aha s GLY 20 CO -0.09 -1.82 0.32 -0.35 0.00 0.00 0.00 173.10 171.16 2aha s ASP 21 N -3.39 0.59 -0.19 1.64 -1.08 -0.56 -1.29 116.67 112.39 2aha s ASP 21 Ca 0.26 0.13 0.01 0.00 -0.52 0.00 0.00 52.55 52.43 2aha s ASP 21 Cb -0.00 0.87 0.03 0.00 -1.46 0.00 0.00 42.92 42.36 2aha s ASP 21 CO 0.10 -0.30 -0.17 -0.69 0.52 0.00 0.00 175.17 174.63 2aha s VAL 22 N 2.47 1.96 -1.46 1.11 1.01 -0.79 0.43 120.40 125.12 2aha s VAL 22 Ca 0.10 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 2aha s VAL 22 Cb -0.15 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.42 2aha s VAL 22 CO -0.14 0.40 0.77 0.59 0.00 0.00 0.00 175.10 176.72 2aha n ASN 23 N 4.62 -5.40 0.00 3.32 4.13 0.42 -1.47 115.26 120.88 2aha n ASN 23 Ca -0.19 -0.46 0.00 0.00 1.68 0.00 0.00 54.58 55.62 2aha n ASN 23 Cb 0.48 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.38 2aha n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aha n GLY 24 N -1.58 2.68 3.49 7.41 0.00 -1.26 -4.96 105.19 110.97 2aha n GLY 24 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2aha n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aha s HIS 25 N -2.54 2.92 0.40 1.61 3.76 -0.54 -5.03 115.29 115.86 2aha s HIS 25 Ca 0.00 -0.20 -0.14 0.00 -0.15 0.00 0.00 55.06 54.57 2aha s HIS 25 Cb 0.00 -3.80 -0.08 0.00 1.11 0.00 0.00 32.58 29.81 2aha s HIS 25 CO 0.00 -1.17 0.82 0.15 -0.85 0.00 0.00 174.74 173.69 2aha s LYS 26 N 3.33 3.94 0.06 1.40 1.02 -1.26 -1.89 119.74 126.35 2aha s LYS 26 Ca 0.24 0.71 -0.27 0.00 0.02 0.00 0.00 55.97 56.67 2aha s LYS 26 Cb -0.15 -2.33 0.09 0.00 -0.52 0.00 0.00 37.83 34.92 2aha s LYS 26 CO 0.17 -0.01 0.89 -0.59 -0.92 0.00 0.00 175.35 174.89 2aha s PHE 27 N -2.27 -0.28 0.00 3.18 -0.71 -0.42 -4.97 117.98 112.53 2aha s PHE 27 Ca 0.55 0.08 0.01 0.00 -1.04 0.00 0.00 56.93 56.53 2aha s PHE 27 Cb -0.10 0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 42.28 2aha s PHE 27 CO 0.24 -0.67 -0.04 0.45 -1.34 0.00 0.00 175.22 173.86 2aha s SER 28 N -2.66 0.50 0.02 1.98 0.15 -1.26 -0.42 113.70 112.01 2aha s SER 28 Ca 0.07 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.59 2aha s SER 28 Cb -0.01 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 2aha s SER 28 CO -0.05 -0.01 -0.08 -0.69 1.20 0.00 0.00 173.24 173.61 2aha s VAL 29 N -0.35 0.60 0.05 4.45 1.01 -0.61 -1.24 120.40 124.31 2aha s VAL 29 Ca -0.01 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2aha s VAL 29 Cb -0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2aha s VAL 29 CO -0.00 -0.03 -0.20 -0.44 0.00 0.00 0.00 175.10 174.42 2aha s SER 30 N -0.72 2.41 0.03 3.32 0.01 -0.57 -1.19 113.70 116.98 2aha s SER 30 Ca -0.01 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.71 2aha s SER 30 Cb -0.05 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 2aha s SER 30 CO 0.00 0.14 -0.03 -0.83 0.41 0.00 0.00 173.24 172.93 2aha s GLY 31 N -1.26 0.30 0.02 3.44 0.00 0.13 -0.80 107.32 109.15 2aha s GLY 31 Ca 0.07 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 2aha s GLY 31 CO 0.02 -0.81 0.15 -0.54 0.00 0.00 0.00 173.10 171.92 2aha s GLU 32 N -2.01 0.56 0.00 2.90 2.02 -0.93 0.10 118.70 121.35 2aha s GLU 32 Ca -0.11 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2aha s GLU 32 Cb -0.06 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.40 2aha s GLU 32 CO -0.03 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.52 2aha n GLY 33 N 1.11 -0.89 3.40 -1.39 0.00 -0.14 -1.50 105.19 105.78 2aha n GLY 33 Ca -0.21 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2aha n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aha s GLU 34 N -0.08 1.06 0.06 1.61 1.03 -0.80 -0.95 118.70 120.63 2aha s GLU 34 Ca 0.00 -0.25 0.00 0.00 0.03 0.00 0.00 54.97 54.76 2aha s GLU 34 Cb 0.00 0.48 -0.04 0.00 -0.80 0.00 0.00 34.13 33.78 2aha s GLU 34 CO 0.00 -0.39 -0.05 0.20 -1.33 0.00 0.00 175.26 173.69 2aha s GLY 35 N -2.03 0.54 -0.27 -3.83 0.00 0.43 -1.92 107.32 100.24 2aha s GLY 35 Ca -0.05 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.53 2aha s GLY 35 CO -0.02 -1.20 0.12 -0.35 0.00 0.00 0.00 173.10 171.64 2aha s ASP 36 N -2.58 3.41 0.49 1.64 -1.08 -0.72 0.99 116.67 118.82 2aha s ASP 36 Ca 0.03 -1.22 0.33 0.00 -0.52 0.00 0.00 52.55 51.17 2aha s ASP 36 Cb 0.02 -0.39 1.53 0.00 -1.46 0.00 0.00 42.92 42.62 2aha s ASP 36 CO -0.06 -0.42 1.98 0.00 0.52 0.00 0.00 175.17 177.20 2aha h ALA 37 N 8.37 1.00 -0.74 3.66 0.00 -1.72 0.13 119.26 129.96 2aha h ALA 37 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2aha h ALA 37 Cb 1.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2aha h ALA 37 CO 0.42 0.00 0.33 1.15 0.00 0.00 0.00 179.25 181.15 2aha h THR 38 N 0.00 1.24 0.00 0.00 2.02 -1.84 -3.10 112.91 111.23 2aha h THR 38 Ca 0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2aha h THR 38 Cb 0.28 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2aha h THR 38 CO 0.00 0.30 -1.43 -1.22 0.37 0.00 0.00 175.52 173.54 2aha n TYR 39 N -4.31 0.00 -1.28 3.16 4.01 -0.99 -4.90 117.16 112.85 2aha n TYR 39 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2aha n TYR 39 Cb 0.16 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 2aha n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aha n GLY 40 N 1.44 0.46 3.67 2.72 0.00 0.39 -4.72 105.19 109.15 2aha n GLY 40 Ca -0.01 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 2aha n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aha s ASP 41 N -2.92 4.80 0.09 1.61 1.01 -0.81 -0.65 116.67 119.80 2aha s ASP 41 Ca 0.00 -0.39 -0.16 0.00 0.71 0.00 0.00 52.55 52.71 2aha s ASP 41 Cb 0.00 -1.03 0.03 0.00 1.01 0.00 0.00 42.92 42.93 2aha s ASP 41 CO 0.00 0.08 0.39 -1.48 0.21 0.00 0.00 175.17 174.37 2aha s LEU 42 N -2.98 0.48 -0.04 1.23 0.05 0.81 -1.75 118.68 116.48 2aha s LEU 42 Ca 0.28 -0.23 -0.01 0.00 0.05 0.00 0.00 54.13 54.21 2aha s LEU 42 Cb -0.09 1.74 0.03 0.00 -2.05 0.00 0.00 46.19 45.82 2aha s LEU 42 CO 0.19 -0.78 0.06 -0.89 -0.55 0.00 0.00 176.35 174.38 2aha s THR 43 N -3.33 -0.08 0.02 5.48 2.01 -0.81 -0.69 115.64 118.23 2aha s THR 43 Ca 0.00 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2aha s THR 43 Cb 0.01 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.37 2aha s THR 43 CO -0.09 0.11 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.16 2aha s LEU 44 N 1.42 2.14 -0.13 4.42 1.43 0.29 -1.90 118.68 126.36 2aha s LEU 44 Ca -0.05 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2aha s LEU 44 Cb -0.13 -0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.04 2aha s LEU 44 CO -0.04 -0.13 -0.22 -0.75 0.23 0.00 0.00 176.35 175.44 2aha s LYS 45 N -0.89 2.96 0.10 1.70 2.20 -0.56 -0.92 119.74 124.33 2aha s LYS 45 Ca -0.07 -0.84 0.08 0.00 -0.36 0.00 0.00 55.97 54.78 2aha s LYS 45 Cb -0.06 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 2aha s LYS 45 CO -0.00 0.04 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.83 2aha s PHE 46 N 0.69 2.66 -0.05 4.03 0.40 0.12 -2.18 117.98 123.65 2aha s PHE 46 Ca -0.10 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 2aha s PHE 46 Cb -0.16 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 41.96 2aha s PHE 46 CO 0.01 0.40 -0.16 0.42 0.70 0.00 0.00 175.22 176.59 2aha s ILE 47 N -1.17 1.41 -0.27 0.64 -1.09 0.02 -1.00 121.20 119.75 2aha s ILE 47 Ca 0.20 -0.68 -0.27 0.00 -2.23 0.00 0.00 60.65 57.66 2aha s ILE 47 Cb -0.11 -1.23 0.01 0.00 -1.58 0.00 0.00 42.46 39.55 2aha s ILE 47 CO 0.12 0.41 0.96 -0.94 -1.23 0.00 0.00 174.94 174.26 2aha s SER 48 N 0.22 6.93 0.00 3.58 1.04 -0.93 -1.51 113.70 123.03 2aha s SER 48 Ca -0.08 1.11 0.28 0.00 0.48 0.00 0.00 55.95 57.74 2aha s SER 48 Cb -0.13 -2.50 0.96 0.00 0.10 0.00 0.00 66.02 64.45 2aha s SER 48 CO 0.03 -0.68 1.69 0.35 0.98 0.00 0.00 173.24 175.61 2aha n THR 49 N 5.48 0.00 -0.49 2.02 -2.24 -0.37 -4.04 114.28 114.63 2aha n THR 49 Ca 0.09 -0.27 0.05 0.00 -2.27 0.00 0.00 64.05 61.66 2aha n THR 49 Cb 0.47 0.59 0.10 0.00 -2.10 0.00 0.00 70.33 69.38 2aha n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2aha n THR 50 N 0.25 1.44 0.00 4.28 -2.24 -1.25 -4.98 114.28 111.79 2aha n THR 50 Ca 0.18 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 2aha n THR 50 Cb 0.38 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2aha n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aha n GLY 51 N -0.67 0.44 3.69 3.38 0.00 -1.26 -4.97 105.19 105.80 2aha n GLY 51 Ca 0.09 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 2aha n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aha s LYS 52 N -0.00 4.29 0.31 1.61 2.47 -1.26 -4.76 119.74 122.39 2aha s LYS 52 Ca 0.00 1.98 -0.29 0.00 -1.56 0.00 0.00 55.97 56.10 2aha s LYS 52 Cb 0.00 -3.54 -0.11 0.00 -1.46 0.00 0.00 37.83 32.73 2aha s LYS 52 CO 0.00 -0.56 1.45 -1.17 0.16 0.00 0.00 175.35 175.23 2aha s LEU 53 N 2.25 4.37 0.00 5.43 2.96 -1.26 -4.88 118.68 127.55 2aha s LEU 53 Ca 0.64 2.83 0.29 0.00 -0.22 0.00 0.00 54.13 57.67 2aha s LEU 53 Cb -0.32 -3.64 1.64 0.00 0.50 0.00 0.00 46.19 44.37 2aha s LEU 53 CO 0.27 -0.75 2.07 -0.81 -1.32 0.00 0.00 176.35 175.81 2aha n PRO 54 N 1.43 1.13 -4.21 0.98 -0.04 -1.26 -4.80 135.00 128.24 2aha n PRO 54 Ca 0.04 -0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 2aha n PRO 54 Cb 0.40 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 2aha n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2aha s VAL 55 N -1.99 0.97 0.32 0.52 -7.23 -1.26 -4.49 120.40 107.24 2aha s VAL 55 Ca 0.44 -1.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.41 2aha s VAL 55 Cb 0.21 -1.67 -0.10 0.00 0.56 0.00 0.00 36.38 35.38 2aha s VAL 55 CO 0.34 -0.73 1.18 -2.84 -0.31 0.00 0.00 175.10 172.75 2aha s PRO 56 N -3.51 4.44 0.23 4.82 0.02 -1.26 -4.93 135.00 134.81 2aha s PRO 56 Ca 0.12 1.96 -0.08 0.00 0.02 0.00 0.00 61.00 63.02 2aha s PRO 56 Cb 0.02 -3.05 0.39 0.00 0.02 0.00 0.00 34.50 31.87 2aha s PRO 56 CO -0.01 -0.02 1.67 -1.49 -0.33 0.00 0.00 177.00 176.81 2aha h TRP 57 N 3.45 0.09 -0.59 6.54 4.06 -1.97 -2.29 115.95 125.24 2aha h TRP 57 Ca -0.48 0.05 0.17 0.00 2.06 0.00 0.00 58.89 60.69 2aha h TRP 57 Cb 1.22 0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.42 2aha h TRP 57 CO 0.57 -0.15 0.46 -1.35 -3.56 0.00 0.00 178.44 174.41 2aha h PRO 58 N 0.18 0.00 0.00 0.49 0.11 -1.91 0.48 132.00 131.34 2aha h PRO 58 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2aha h PRO 58 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2aha h PRO 58 CO -0.54 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.50 2aha n THR 59 N -4.21 0.40 0.88 -1.15 -2.24 -0.86 -2.71 114.28 104.39 2aha n THR 59 Ca 0.11 0.07 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 2aha n THR 59 Cb 0.70 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2aha n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2aha n LEU 60 N -1.60 1.30 -0.05 3.22 4.77 0.15 -4.65 117.00 120.15 2aha n LEU 60 Ca 0.06 -0.61 -0.08 0.00 -0.03 0.00 0.00 56.01 55.35 2aha n LEU 60 Cb 0.29 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2aha n LEU 60 CO 0.23 0.28 0.81 0.58 -1.33 0.00 0.00 177.39 177.96 2aha h VAL 61 N 0.92 0.75 -0.06 4.08 2.07 -1.46 -0.85 116.25 121.69 2aha h VAL 61 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2aha h VAL 61 Cb 0.54 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2aha h VAL 61 CO 0.00 0.00 -0.15 0.71 0.02 0.00 0.00 177.57 178.15 2aha h THR 62 N -0.03 1.14 -0.30 2.57 1.35 -1.82 -2.27 112.91 113.55 2aha h THR 62 Ca 0.11 -0.66 -0.10 0.00 -0.55 0.00 0.00 66.41 65.21 2aha h THR 62 Cb 0.19 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 2aha h THR 62 CO -0.24 0.20 -0.19 0.74 -0.25 0.00 0.00 175.52 175.77 2aha h THR 63 N 0.09 1.30 0.00 6.82 2.02 -1.71 -3.46 112.91 117.97 2aha h THR 63 Ca 0.02 -1.32 -0.20 0.00 0.77 0.00 0.00 66.41 65.67 2aha h THR 63 Cb 0.33 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2aha h THR 63 CO 0.02 0.42 1.51 0.49 0.37 0.00 0.00 175.52 178.33 2aha n PHE 64 N -4.34 0.65 0.00 3.16 3.72 -0.38 -5.04 117.46 115.22 2aha n PHE 64 Ca -0.03 -1.22 0.00 0.00 -0.05 0.00 0.00 57.45 56.15 2aha n PHE 64 Cb 0.41 -1.19 0.00 0.00 -0.94 0.00 0.00 39.48 37.76 2aha n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2aha n VAL 68 N 3.94 0.00 0.21 -4.37 0.24 -1.26 -4.99 118.33 112.11 2aha n VAL 68 Ca 0.26 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.58 2aha n VAL 68 Cb 0.17 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.65 2aha n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aha n GLN 69 N 0.00 0.08 0.02 7.34 6.02 -1.26 -0.68 117.38 128.90 2aha n GLN 69 Ca 0.00 0.17 0.09 0.00 -0.01 0.00 0.00 57.00 57.25 2aha n GLN 69 Cb 0.00 -1.50 0.38 0.00 1.02 0.00 0.00 30.24 30.14 2aha n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aha n PHE 71 N -1.62 0.00 -1.98 0.00 3.72 0.14 -4.77 117.46 112.95 2aha n PHE 71 Ca 0.04 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.06 2aha n PHE 71 Cb 0.21 -0.04 0.03 0.00 -0.94 0.00 0.00 39.48 38.74 2aha n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2aha s SER 72 N -2.12 5.48 -0.45 4.37 0.01 -0.68 -4.09 113.70 116.22 2aha s SER 72 Ca 0.36 2.53 -0.29 0.00 1.31 0.00 0.00 55.95 59.86 2aha s SER 72 Cb 0.21 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.85 2aha s SER 72 CO 0.38 -1.40 1.12 -0.60 0.41 0.00 0.00 173.24 173.15 2aha s ARG 73 N -2.97 3.78 -0.41 12.44 3.52 -0.02 -4.77 118.95 130.51 2aha s ARG 73 Ca 0.71 0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 56.81 2aha s ARG 73 Cb -0.34 -3.88 0.03 0.00 -1.56 0.00 0.00 34.95 29.20 2aha s ARG 73 CO 0.40 -1.30 0.30 0.71 -0.81 0.00 0.00 175.30 174.60 2aha s TYR 74 N 4.30 3.24 0.54 5.12 1.51 -1.26 -0.93 117.35 129.87 2aha s TYR 74 Ca 0.47 -0.68 -0.22 0.00 -1.01 0.00 0.00 57.07 55.64 2aha s TYR 74 Cb -0.08 -2.63 -0.06 0.00 -0.11 0.00 0.00 41.96 39.08 2aha s TYR 74 CO 0.29 -0.62 1.23 -2.30 -1.11 0.00 0.00 175.55 173.04 2aha n PRO 75 N 5.14 1.50 -0.34 -1.71 -0.02 -1.26 -4.65 135.00 133.66 2aha n PRO 75 Ca -0.11 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 2aha n PRO 75 Cb 0.46 -2.42 0.16 0.00 -0.02 0.00 0.00 33.50 31.68 2aha n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2aha n ASP 76 N -0.73 -0.30 0.00 2.55 9.92 -1.26 0.21 116.55 126.94 2aha n ASP 76 Ca 0.11 1.62 0.07 0.00 -0.53 0.00 0.00 54.79 56.05 2aha n ASP 76 Cb 0.44 -0.51 0.39 0.00 -0.64 0.00 0.00 41.12 40.80 2aha n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aha n HIS 77 N -5.52 0.00 -0.34 1.24 1.44 -1.26 -1.42 115.22 109.36 2aha n HIS 77 Ca 0.16 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.88 2aha n HIS 77 Cb 0.51 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.63 2aha n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2aha n MET 78 N -0.87 2.13 -0.40 -1.40 2.81 0.55 -4.72 117.12 115.22 2aha n MET 78 Ca 0.10 -1.32 0.37 0.00 -1.81 0.00 0.00 57.70 55.03 2aha n MET 78 Cb 0.04 -0.90 0.71 0.00 -0.71 0.00 0.00 33.22 32.37 2aha n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2aha h LYS 79 N 0.00 0.07 0.00 0.03 1.57 -0.47 0.24 116.57 118.01 2aha h LYS 79 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aha h LYS 79 Cb 0.67 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2aha h LYS 79 CO 0.00 0.05 0.00 2.89 -0.57 0.00 0.00 179.45 181.82 2aha n ARG 80 N -4.27 0.08 -0.40 3.15 0.00 -1.26 -3.12 116.66 110.84 2aha n ARG 80 Ca 0.30 0.22 0.10 0.00 -0.00 0.00 0.00 57.85 58.47 2aha n ARG 80 Cb 1.34 -1.62 0.29 0.00 -0.00 0.00 0.00 32.46 32.48 2aha n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2aha n HIS 81 N -1.76 1.00 -3.19 2.89 8.25 0.84 -4.56 115.22 118.70 2aha n HIS 81 Ca 0.04 -0.55 -0.45 0.00 -0.26 0.00 0.00 57.72 56.51 2aha n HIS 81 Cb 0.26 -0.08 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 2aha n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2aha s ASP 82 N -1.02 7.14 0.25 0.41 -1.08 -1.18 -4.54 116.67 116.64 2aha s ASP 82 Ca 0.44 -3.20 -0.04 0.00 -0.52 0.00 0.00 52.55 49.23 2aha s ASP 82 Cb 0.25 -2.28 0.43 0.00 -1.46 0.00 0.00 42.92 39.86 2aha s ASP 82 CO 0.26 -0.52 1.78 0.15 0.52 0.00 0.00 175.17 177.37 2aha h PHE 83 N 7.09 0.76 -0.27 -5.34 3.57 -1.88 -2.45 116.94 118.43 2aha h PHE 83 Ca 0.21 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.80 2aha h PHE 83 Cb 0.90 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.35 2aha h PHE 83 CO 0.93 0.25 -0.46 0.74 -2.23 0.00 0.00 178.31 177.54 2aha h PHE 84 N 0.68 -1.36 0.00 0.41 0.04 -1.88 -1.03 116.94 113.80 2aha h PHE 84 Ca 0.41 0.06 -0.14 0.00 2.80 0.00 0.00 57.97 61.10 2aha h PHE 84 Cb 0.47 0.63 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 2aha h PHE 84 CO -0.09 -0.48 -0.65 0.87 -0.60 0.00 0.00 178.31 177.36 2aha h LYS 85 N -0.44 0.00 -0.90 1.51 1.57 -1.84 -3.13 116.57 113.34 2aha h LYS 85 Ca 0.09 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.00 2aha h LYS 85 Cb 0.62 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.84 2aha h LYS 85 CO -0.49 0.65 0.52 0.66 -0.57 0.00 0.00 179.45 180.22 2aha h SER 86 N 0.00 0.72 0.55 0.86 4.64 -0.73 0.29 113.55 119.88 2aha h SER 86 Ca -0.01 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2aha h SER 86 Cb 1.21 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2aha h SER 86 CO 0.08 0.36 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 2aha n ALA 87 N -2.38 1.56 -1.93 5.18 0.00 -0.68 -4.75 120.51 117.52 2aha n ALA 87 Ca 0.17 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2aha n ALA 87 Cb 0.37 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 2aha n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2aha s MET 88 N -3.23 4.14 0.18 0.00 1.00 0.10 -0.74 119.30 120.74 2aha s MET 88 Ca 0.04 0.96 0.25 0.00 0.00 0.00 0.00 55.69 56.94 2aha s MET 88 Cb 0.09 -2.26 0.53 0.00 0.00 0.00 0.00 34.83 33.18 2aha s MET 88 CO 0.32 0.02 1.52 -1.00 0.00 0.00 0.00 175.02 175.87 2aha h PRO 89 N 1.97 0.00 -0.90 2.03 0.13 -1.87 -3.36 132.00 130.00 2aha h PRO 89 Ca -0.49 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2aha h PRO 89 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2aha h PRO 89 CO 0.62 0.00 0.55 0.93 -0.23 0.00 0.00 178.00 179.88 2aha h GLU 90 N 0.00 0.92 0.00 0.86 3.07 -1.91 -2.84 114.58 114.68 2aha h GLU 90 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2aha h GLU 90 Cb 0.76 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2aha h GLU 90 CO 0.00 0.61 0.00 0.41 -1.40 0.00 0.00 179.01 178.63 2aha n GLY 91 N -1.34 -1.40 3.14 -3.84 0.00 0.08 -4.70 105.19 97.14 2aha n GLY 91 Ca 0.15 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 2aha n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2aha s TYR 92 N 0.00 0.29 -0.10 1.61 -0.85 -0.66 -0.92 117.35 116.73 2aha s TYR 92 Ca 0.00 -0.73 -0.11 0.00 -0.52 0.00 0.00 57.07 55.70 2aha s TYR 92 Cb 0.00 -0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.10 2aha s TYR 92 CO 0.00 -0.44 0.26 0.08 -1.52 0.00 0.00 175.55 173.93 2aha s VAL 93 N -3.58 5.30 -0.09 -3.49 1.01 0.84 -0.95 120.40 119.45 2aha s VAL 93 Ca 0.03 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2aha s VAL 93 Cb 0.05 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2aha s VAL 93 CO -0.09 0.54 -0.15 -1.58 0.00 0.00 0.00 175.10 173.82 2aha s GLN 94 N -0.59 2.09 0.02 2.72 0.74 0.12 -1.60 119.66 123.15 2aha s GLN 94 Ca 0.18 -0.53 0.06 0.00 0.05 0.00 0.00 55.36 55.12 2aha s GLN 94 Cb -0.14 -1.74 -0.02 0.00 1.10 0.00 0.00 33.01 32.22 2aha s GLN 94 CO 0.07 -0.01 -0.19 -1.21 -0.55 0.00 0.00 175.29 173.40 2aha s GLU 95 N 0.81 1.44 0.05 1.67 2.02 -0.10 -0.10 118.70 124.49 2aha s GLU 95 Ca -0.11 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 2aha s GLU 95 Cb -0.16 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.59 2aha s GLU 95 CO 0.02 0.39 0.04 1.03 0.02 0.00 0.00 175.26 176.76 2aha s ARG 96 N -0.82 0.63 -0.10 1.61 0.52 -0.85 -0.61 118.95 119.33 2aha s ARG 96 Ca 0.07 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 2aha s ARG 96 Cb -0.08 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.64 2aha s ARG 96 CO 0.01 -0.15 -0.12 0.99 0.02 0.00 0.00 175.30 176.05 2aha s THR 97 N -3.43 1.22 -0.13 0.02 2.01 -0.02 -0.77 115.64 114.55 2aha s THR 97 Ca 0.02 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.57 2aha s THR 97 Cb 0.04 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.41 2aha s THR 97 CO -0.08 0.39 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.43 2aha s ILE 98 N 1.11 1.71 -0.27 1.82 1.01 -0.29 0.07 121.20 126.36 2aha s ILE 98 Ca -0.06 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 2aha s ILE 98 Cb -0.14 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2aha s ILE 98 CO -0.02 0.48 0.14 -0.36 0.00 0.00 0.00 174.94 175.18 2aha s PHE 99 N 1.02 3.16 -0.22 3.97 0.40 -0.64 -0.27 117.98 125.40 2aha s PHE 99 Ca -0.04 -0.10 -0.20 0.00 -0.60 0.00 0.00 56.93 55.98 2aha s PHE 99 Cb -0.15 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 2aha s PHE 99 CO -0.04 -0.24 0.62 -0.06 0.70 0.00 0.00 175.22 176.21 2aha s PHE 100 N 1.70 3.34 -0.02 0.36 0.40 -0.42 -1.60 117.98 121.74 2aha s PHE 100 Ca 0.07 0.88 -0.35 0.00 -0.60 0.00 0.00 56.93 56.92 2aha s PHE 100 Cb -0.16 -2.81 -0.13 0.00 0.51 0.00 0.00 43.02 40.43 2aha s PHE 100 CO 0.08 -0.23 1.73 1.17 0.70 0.00 0.00 175.22 178.67 2aha n LYS 101 N 5.30 1.97 -1.41 0.44 3.00 0.26 0.19 118.16 127.91 2aha n LYS 101 Ca -0.01 0.72 -0.11 0.00 -0.00 0.00 0.00 58.31 58.90 2aha n LYS 101 Cb 0.49 -2.50 -0.04 0.00 0.00 0.00 0.00 35.03 32.98 2aha n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2aha n ASP 102 N 5.18 -4.28 -0.28 3.14 8.00 -1.26 -4.85 116.55 122.20 2aha n ASP 102 Ca 0.21 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.96 2aha n ASP 102 Cb 0.26 -2.84 0.00 0.00 -0.02 0.00 0.00 41.12 38.53 2aha n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2aha n ASP 103 N 0.16 0.00 -2.77 -2.24 -0.08 0.13 -4.96 116.55 106.79 2aha n ASP 103 Ca -0.11 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 2aha n ASP 103 Cb 0.39 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.85 2aha n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2aha n GLY 104 N 0.00 -1.59 3.13 0.27 0.00 -1.18 -4.51 105.19 101.32 2aha n GLY 104 Ca 0.00 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 2aha n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aha s ASN 105 N -1.25 0.65 0.17 1.61 2.20 -0.77 -1.30 114.94 116.24 2aha s ASN 105 Ca 0.00 -1.06 0.08 0.00 -0.94 0.00 0.00 52.86 50.94 2aha s ASN 105 Cb 0.00 0.19 -0.04 0.00 -2.00 0.00 0.00 41.25 39.40 2aha s ASN 105 CO 0.00 -0.60 -0.08 -0.31 -2.94 0.00 0.00 177.10 173.17 2aha s TYR 106 N -3.86 2.69 -0.08 1.54 2.02 0.62 -1.25 117.35 119.03 2aha s TYR 106 Ca 0.13 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 2aha s TYR 106 Cb 0.07 -1.33 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 2aha s TYR 106 CO -0.05 0.50 -0.06 0.15 -1.57 0.00 0.00 175.55 174.51 2aha s LYS 107 N -2.75 1.20 0.14 -0.62 1.02 0.94 -1.14 119.74 118.53 2aha s LYS 107 Ca 0.25 -0.18 0.08 0.00 0.02 0.00 0.00 55.97 56.13 2aha s LYS 107 Cb -0.09 -1.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 2aha s LYS 107 CO 0.16 -0.15 -0.18 0.95 -0.92 0.00 0.00 175.35 175.20 2aha s THR 108 N 1.29 1.69 -0.05 2.17 -4.23 0.05 -0.95 115.64 115.61 2aha s THR 108 Ca -0.04 -1.78 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 2aha s THR 108 Cb -0.14 -1.70 0.04 0.00 1.34 0.00 0.00 72.50 72.04 2aha s THR 108 CO -0.03 -0.27 0.11 -0.60 -0.54 0.00 0.00 174.62 173.29 2aha s ARG 109 N -2.55 0.03 0.06 3.99 3.52 -0.71 -2.01 118.95 121.29 2aha s ARG 109 Ca 0.12 0.34 0.01 0.00 -0.13 0.00 0.00 55.73 56.06 2aha s ARG 109 Cb -0.07 -0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.05 2aha s ARG 109 CO 0.05 -0.19 -0.05 0.00 -0.81 0.00 0.00 175.30 174.30 2aha s ALA 110 N 1.34 0.63 -0.13 6.12 0.00 0.86 -1.09 121.76 129.50 2aha s ALA 110 Ca -0.07 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.81 2aha s ALA 110 Cb -0.12 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2aha s ALA 110 CO -0.05 -0.23 -0.17 -1.21 0.00 0.00 0.00 175.76 174.10 2aha s GLU 111 N -3.16 3.23 -0.19 0.00 2.02 -0.78 0.13 118.70 119.96 2aha s GLU 111 Ca 0.03 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.26 2aha s GLU 111 Cb 0.02 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.75 2aha s GLU 111 CO -0.05 0.14 -0.13 0.08 0.02 0.00 0.00 175.26 175.32 2aha s VAL 112 N 0.50 1.72 0.24 2.63 1.01 -0.12 -1.61 120.40 124.76 2aha s VAL 112 Ca -0.11 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 2aha s VAL 112 Cb -0.16 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.54 2aha s VAL 112 CO 0.05 0.29 0.65 -1.59 0.00 0.00 0.00 175.10 174.50 2aha s LYS 113 N 1.39 1.60 0.28 2.72 -2.85 -0.73 -1.65 119.74 120.49 2aha s LYS 113 Ca 0.01 -0.86 -0.23 0.00 -1.00 0.00 0.00 55.97 53.89 2aha s LYS 113 Cb -0.15 0.59 -0.09 0.00 -2.06 0.00 0.00 37.83 36.11 2aha s LYS 113 CO -0.09 -0.71 0.86 -0.06 0.10 0.00 0.00 175.35 175.44 2aha s PHE 114 N -3.88 3.67 -0.22 1.78 0.08 -1.07 -0.89 117.98 117.44 2aha s PHE 114 Ca 0.09 1.62 -0.03 0.00 0.12 0.00 0.00 56.93 58.73 2aha s PHE 114 Cb -0.04 -2.80 0.07 0.00 -0.57 0.00 0.00 43.02 39.68 2aha s PHE 114 CO 0.01 0.26 0.06 -1.21 -0.10 0.00 0.00 175.22 174.23 2aha s GLU 115 N -2.03 0.60 7.34 0.44 2.02 0.65 -4.92 118.70 122.81 2aha s GLU 115 Ca 0.47 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.93 2aha s GLU 115 Cb -0.18 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2aha s GLU 115 CO 0.22 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.18 2aha n GLY 116 N 5.04 2.52 1.36 -1.39 0.00 -1.26 -1.03 105.19 110.43 2aha n GLY 116 Ca -0.07 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.75 2aha n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aha n ASP 117 N 5.78 4.17 -4.84 1.61 8.00 -1.26 -4.94 116.55 125.07 2aha n ASP 117 Ca 0.00 -2.21 -0.32 0.00 0.71 0.00 0.00 54.79 52.97 2aha n ASP 117 Cb 0.00 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.54 2aha n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2aha s THR 118 N -1.39 5.04 -0.32 -3.53 2.01 -0.20 -4.43 115.64 112.82 2aha s THR 118 Ca 0.47 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 2aha s THR 118 Cb 0.27 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 2aha s THR 118 CO 0.27 0.27 0.32 -0.22 -0.69 0.00 0.00 174.62 174.57 2aha s LEU 119 N -2.02 4.34 -0.19 4.42 1.98 -0.13 -0.25 118.68 126.83 2aha s LEU 119 Ca 0.27 -0.17 -0.04 0.00 -2.89 0.00 0.00 54.13 51.31 2aha s LEU 119 Cb -0.12 -2.28 -0.02 0.00 0.66 0.00 0.00 46.19 44.43 2aha s LEU 119 CO 0.19 -0.26 -0.04 -0.69 -1.89 0.00 0.00 176.35 173.66 2aha s VAL 120 N 1.93 3.65 -0.34 1.68 1.01 -0.07 -1.40 120.40 126.87 2aha s VAL 120 Ca 0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 2aha s VAL 120 Cb -0.17 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2aha s VAL 120 CO 0.11 0.45 0.12 0.21 0.00 0.00 0.00 175.10 175.99 2aha s ASN 121 N 0.89 5.36 -0.19 3.32 2.47 -0.37 -1.78 114.94 124.64 2aha s ASN 121 Ca -0.00 -1.04 -0.03 0.00 0.42 0.00 0.00 52.86 52.21 2aha s ASN 121 Cb -0.15 -1.90 -0.01 0.00 -1.45 0.00 0.00 41.25 37.75 2aha s ASN 121 CO 0.01 -0.31 -0.08 -0.60 -3.72 0.00 0.00 177.10 172.40 2aha s ARG 122 N 1.45 3.37 0.10 0.43 3.52 -0.64 -1.29 118.95 125.88 2aha s ARG 122 Ca -0.00 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 2aha s ARG 122 Cb -0.19 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 2aha s ARG 122 CO 0.03 -0.07 -0.12 0.42 -0.81 0.00 0.00 175.30 174.75 2aha s ILE 123 N 1.12 1.12 -0.06 4.11 1.01 0.38 -1.86 121.20 127.01 2aha s ILE 123 Ca 0.01 -1.58 0.05 0.00 0.00 0.00 0.00 60.65 59.13 2aha s ILE 123 Cb -0.14 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2aha s ILE 123 CO -0.02 -0.42 -0.21 -1.61 0.00 0.00 0.00 174.94 172.68 2aha s GLU 124 N -2.46 2.64 -0.03 2.79 8.01 -0.25 -1.28 118.70 128.12 2aha s GLU 124 Ca 0.05 -0.83 0.04 0.00 0.01 0.00 0.00 54.97 54.24 2aha s GLU 124 Cb -0.06 -2.27 -0.00 0.00 -4.31 0.00 0.00 34.13 27.49 2aha s GLU 124 CO 0.02 0.42 -0.14 -1.17 0.01 0.00 0.00 175.26 174.40 2aha s LEU 125 N -0.25 1.90 -0.15 1.80 0.20 0.92 -1.73 118.68 121.37 2aha s LEU 125 Ca -0.00 -0.29 0.01 0.00 0.69 0.00 0.00 54.13 54.54 2aha s LEU 125 Cb -0.13 -0.80 0.02 0.00 -0.43 0.00 0.00 46.19 44.84 2aha s LEU 125 CO 0.03 0.13 -0.18 -1.59 -0.29 0.00 0.00 176.35 174.46 2aha s LYS 126 N 0.01 2.63 -0.10 1.98 0.00 -0.12 -1.49 119.74 122.64 2aha s LYS 126 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 55.97 55.28 2aha s LYS 126 Cb -0.09 -2.27 -0.02 0.00 0.00 0.00 0.00 37.83 35.45 2aha s LYS 126 CO 0.01 -0.15 -0.15 0.20 0.00 0.00 0.00 175.35 175.25 2aha s GLY 127 N 1.21 1.50 0.20 0.59 0.00 0.17 -0.04 107.32 110.94 2aha s GLY 127 Ca 0.01 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.83 2aha s GLY 127 CO -0.08 -0.39 -0.04 -0.26 0.00 0.00 0.00 173.10 172.33 2aha s ILE 128 N 0.02 1.07 -1.59 0.90 -4.36 -0.38 -0.43 121.20 116.43 2aha s ILE 128 Ca -0.05 -2.04 -0.02 0.00 -0.26 0.00 0.00 60.65 58.27 2aha s ILE 128 Cb -0.15 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.40 2aha s ILE 128 CO 0.04 -0.47 0.25 0.47 0.24 0.00 0.00 174.94 175.47 2aha n ASP 129 N -0.34 -5.64 -4.89 4.36 8.00 -1.26 -1.85 116.55 114.93 2aha n ASP 129 Ca -0.07 -0.11 -0.29 0.00 0.71 0.00 0.00 54.79 55.03 2aha n ASP 129 Cb 0.63 -4.65 -0.01 0.00 -0.02 0.00 0.00 41.12 37.07 2aha n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2aha s PHE 130 N -3.04 3.55 -0.20 1.24 0.40 -1.26 -3.12 117.98 115.56 2aha s PHE 130 Ca 0.13 1.04 -0.20 0.00 -0.60 0.00 0.00 56.93 57.29 2aha s PHE 130 Cb -0.06 -2.48 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 2aha s PHE 130 CO 0.16 -0.36 0.62 0.15 0.70 0.00 0.00 175.22 176.49 2aha s LYS 131 N -4.62 4.20 0.44 0.44 1.02 -1.26 -4.88 119.74 115.08 2aha s LYS 131 Ca 0.51 0.59 0.18 0.00 0.02 0.00 0.00 55.97 57.27 2aha s LYS 131 Cb -0.10 -3.58 1.11 0.00 -0.52 0.00 0.00 37.83 34.73 2aha s LYS 131 CO 0.43 -0.24 1.90 1.05 -0.92 0.00 0.00 175.35 177.57 2aha h GLU 132 N 7.51 0.36 -0.38 1.68 -0.00 -1.97 0.25 114.58 122.02 2aha h GLU 132 Ca -0.31 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.36 58.97 2aha h GLU 132 Cb 1.14 -0.08 -0.03 0.00 -0.00 0.00 0.00 28.75 29.78 2aha h GLU 132 CO 0.77 0.23 0.03 -0.40 -0.00 0.00 0.00 179.01 179.64 2aha n ASP 133 N -4.47 4.08 -4.10 3.06 3.85 -1.26 -4.08 116.55 113.63 2aha n ASP 133 Ca 0.16 -3.13 -0.30 0.00 -0.71 0.00 0.00 54.79 50.81 2aha n ASP 133 Cb 0.62 -0.60 0.19 0.00 -1.35 0.00 0.00 41.12 39.98 2aha n ASP 133 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2aha s GLY 134 N -1.75 1.77 0.27 6.12 0.00 0.08 -4.69 107.32 109.12 2aha s GLY 134 Ca 0.46 -1.19 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 2aha s GLY 134 CO 0.09 -0.41 1.78 3.43 0.00 0.00 0.00 173.10 178.00 2aha h ASN 135 N -1.72 0.73 0.00 1.64 2.35 -1.91 1.65 115.58 118.32 2aha h ASN 135 Ca -0.44 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2aha h ASN 135 Cb 1.24 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2aha h ASN 135 CO 0.37 0.79 0.00 -0.38 -1.65 0.00 0.00 177.43 176.56 2aha n ILE 136 N -4.23 0.00 -0.19 2.81 2.08 -1.26 -1.09 119.36 117.48 2aha n ILE 136 Ca 0.03 0.66 0.17 0.00 0.56 0.00 0.00 62.75 64.17 2aha n ILE 136 Cb 0.28 -1.47 0.52 0.00 -0.75 0.00 0.00 39.64 38.22 2aha n ILE 136 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2aha h LEU 137 N 0.00 0.37 -0.92 1.39 3.38 -1.76 0.17 115.31 117.94 2aha h LEU 137 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2aha h LEU 137 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2aha h LEU 137 CO 0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2aha n GLY 138 N -1.53 0.40 3.85 0.83 0.00 0.56 -4.91 105.19 104.39 2aha n GLY 138 Ca 0.16 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2aha n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aha n HIS 139 N 0.05 -1.88 -1.09 1.61 8.25 0.58 -4.85 115.22 117.88 2aha n HIS 139 Ca 0.06 0.63 0.09 0.00 -0.26 0.00 0.00 57.72 58.25 2aha n HIS 139 Cb 0.24 -2.81 0.16 0.00 1.12 0.00 0.00 29.99 28.70 2aha n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2aha n LYS 140 N -3.28 1.52 -3.54 -0.41 5.02 -0.25 -5.01 118.16 112.20 2aha n LYS 140 Ca -0.26 -2.66 -0.35 0.00 -2.02 0.00 0.00 58.31 53.02 2aha n LYS 140 Cb 0.65 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 2aha n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aha s LEU 141 N -2.90 4.36 0.32 -0.35 1.43 -1.26 -0.10 118.68 120.18 2aha s LEU 141 Ca 0.34 0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 54.09 2aha s LEU 141 Cb 0.29 -2.99 -0.09 0.00 0.03 0.00 0.00 46.19 43.43 2aha s LEU 141 CO 0.03 0.18 0.81 -1.61 0.23 0.00 0.00 176.35 175.99 2aha s GLU 142 N -1.84 4.21 -1.43 1.70 2.02 0.20 -4.84 118.70 118.72 2aha s GLU 142 Ca 0.33 0.93 -0.09 0.00 0.02 0.00 0.00 54.97 56.15 2aha s GLU 142 Cb -0.14 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.44 2aha s GLU 142 CO 0.18 0.20 2.98 0.98 0.02 0.00 0.00 175.26 179.62 2aha n TYR 143 N 0.03 2.20 -3.90 1.61 9.36 -1.26 -4.67 117.16 120.52 2aha n TYR 143 Ca 0.02 -2.91 -0.22 0.00 3.32 0.00 0.00 57.90 58.11 2aha n TYR 143 Cb 0.52 -2.34 -0.05 0.00 -0.63 0.00 0.00 39.34 36.84 2aha n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2aha s ASN 144 N 1.97 4.97 -0.28 2.98 2.20 -1.26 -4.80 114.94 120.72 2aha s ASN 144 Ca 0.68 -0.68 -0.18 0.00 -0.94 0.00 0.00 52.86 51.75 2aha s ASN 144 Cb 0.20 -0.79 0.10 0.00 -2.00 0.00 0.00 41.25 38.76 2aha s ASN 144 CO -0.06 -0.39 0.80 -0.47 -2.94 0.00 0.00 177.10 174.04 2aha s TYR 145 N -2.40 -0.85 0.63 1.54 5.04 -1.26 -4.89 117.35 115.16 2aha s TYR 145 Ca 0.41 1.75 0.07 0.00 -2.44 0.00 0.00 57.07 56.85 2aha s TYR 145 Cb -0.03 0.49 0.11 0.00 0.35 0.00 0.00 41.96 42.87 2aha s TYR 145 CO 0.25 -0.42 0.87 0.54 -1.34 0.00 0.00 175.55 175.45 2aha s ASN 146 N 1.31 4.82 0.01 4.32 6.03 -1.26 -4.69 114.94 125.48 2aha s ASN 146 Ca -0.08 -0.73 0.03 0.00 -1.03 0.00 0.00 52.86 51.06 2aha s ASN 146 Cb -0.05 0.27 -0.01 0.00 -3.03 0.00 0.00 41.25 38.43 2aha s ASN 146 CO -0.15 -1.55 -0.11 0.00 -2.03 0.00 0.00 177.10 173.26 2aha n HIS 148 N 2.48 -0.17 -4.27 0.00 -0.00 0.10 -5.00 115.22 108.35 2aha n HIS 148 Ca -0.15 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.22 2aha n HIS 148 Cb 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.45 2aha n HIS 148 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2aha s ASN 149 N -0.81 5.33 -0.24 4.39 0.02 -1.26 -0.38 114.94 121.99 2aha s ASN 149 Ca 0.00 0.12 -0.06 0.00 -1.02 0.00 0.00 52.86 51.89 2aha s ASN 149 Cb 0.00 -1.66 -0.02 0.00 0.02 0.00 0.00 41.25 39.59 2aha s ASN 149 CO 0.00 0.31 0.04 -0.69 0.02 0.00 0.00 177.10 176.78 2aha s VAL 150 N -0.47 3.99 -0.04 1.60 1.01 -0.33 -4.83 120.40 121.33 2aha s VAL 150 Ca 0.09 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 2aha s VAL 150 Cb -0.12 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2aha s VAL 150 CO 0.02 0.34 0.51 -0.31 0.00 0.00 0.00 175.10 175.67 2aha s TYR 151 N 1.56 3.63 0.02 5.22 2.02 -1.02 0.20 117.35 128.98 2aha s TYR 151 Ca 0.06 1.05 0.08 0.00 -0.37 0.00 0.00 57.07 57.89 2aha s TYR 151 Cb -0.15 -2.52 -0.02 0.00 -0.40 0.00 0.00 41.96 38.87 2aha s TYR 151 CO 0.01 0.35 -0.24 0.42 -1.57 0.00 0.00 175.55 174.53 2aha s ILE 152 N -0.10 1.90 0.03 2.71 1.01 0.10 -2.02 121.20 124.84 2aha s ILE 152 Ca 0.28 -1.17 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 2aha s ILE 152 Cb -0.17 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2aha s ILE 152 CO 0.14 0.41 -0.03 -0.04 0.00 0.00 0.00 174.94 175.41 2aha s MET 153 N -0.90 0.45 0.60 2.79 -1.94 -0.06 -1.11 119.30 119.13 2aha s MET 153 Ca 0.10 -0.88 -0.15 0.00 -1.71 0.00 0.00 55.69 53.05 2aha s MET 153 Cb -0.09 0.14 -0.04 0.00 2.01 0.00 0.00 34.83 36.85 2aha s MET 153 CO 0.01 -0.07 1.04 0.00 -0.01 0.00 0.00 175.02 175.98 2aha s ALA 154 N -2.52 2.82 -0.40 3.03 0.00 -1.25 0.35 121.76 123.78 2aha s ALA 154 Ca -0.06 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.22 2aha s ALA 154 Cb -0.02 -3.19 0.21 0.00 0.00 0.00 0.00 23.12 20.12 2aha s ALA 154 CO -0.05 -0.76 0.44 -3.47 0.00 0.00 0.00 175.76 171.93 2aha n ASP 155 N -2.19 -0.20 -0.28 0.00 -0.08 0.70 -4.52 116.55 109.97 2aha n ASP 155 Ca 0.08 -2.55 0.23 0.00 -1.51 0.00 0.00 54.79 51.04 2aha n ASP 155 Cb 0.53 -0.55 0.55 0.00 2.34 0.00 0.00 41.12 43.99 2aha n ASP 155 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2aha h LYS 156 N 4.75 0.32 0.48 -0.67 5.09 -1.95 0.74 116.57 125.32 2aha h LYS 156 Ca 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 60.65 60.86 2aha h LYS 156 Cb 0.90 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 33.16 2aha h LYS 156 CO 0.41 0.21 -0.23 -0.56 -2.09 0.00 0.00 179.45 177.20 2aha h GLN 157 N 0.33 -0.62 -0.00 0.07 -0.00 -1.94 -2.77 115.11 110.18 2aha h GLN 157 Ca 0.53 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 59.23 2aha h GLN 157 Cb 1.47 0.14 0.00 0.00 -0.00 0.00 0.00 27.48 29.10 2aha h GLN 157 CO -0.20 -0.37 -0.04 1.63 -0.00 0.00 0.00 178.83 179.85 2aha n LYS 158 N -5.33 0.34 -3.45 0.06 4.01 0.06 -4.91 118.16 108.94 2aha n LYS 158 Ca -0.11 -0.04 -0.21 0.00 -0.51 0.00 0.00 58.31 57.44 2aha n LYS 158 Cb 0.29 -1.50 0.07 0.00 -0.51 0.00 0.00 35.03 33.38 2aha n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2aha n ASN 159 N -1.30 -5.88 0.00 4.39 5.15 0.24 -4.76 115.26 113.10 2aha n ASN 159 Ca 0.12 -0.47 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 2aha n ASN 159 Cb 0.28 -4.50 0.00 0.00 -0.53 0.00 0.00 39.78 35.03 2aha n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2aha n GLY 160 N -1.82 4.22 3.29 8.20 0.00 -0.67 -4.31 105.19 114.11 2aha n GLY 160 Ca 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 2aha n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2aha s ILE 161 N 0.15 0.37 -0.02 -0.61 -4.36 -0.75 -0.22 121.20 115.76 2aha s ILE 161 Ca 0.00 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.46 2aha s ILE 161 Cb 0.00 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 2aha s ILE 161 CO 0.00 0.00 -0.22 -0.54 0.24 0.00 0.00 174.94 174.42 2aha s LYS 162 N -4.01 1.82 -0.01 0.37 3.01 0.15 -1.47 119.74 119.62 2aha s LYS 162 Ca 0.38 -0.79 0.03 0.00 -1.01 0.00 0.00 55.97 54.58 2aha s LYS 162 Cb 0.07 -1.74 -0.01 0.00 -1.01 0.00 0.00 37.83 35.14 2aha s LYS 162 CO 0.14 0.46 -0.09 0.08 0.51 0.00 0.00 175.35 176.46 2aha s VAL 163 N -0.48 0.69 -0.01 3.17 1.01 -0.14 -0.88 120.40 123.77 2aha s VAL 163 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2aha s VAL 163 Cb -0.09 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2aha s VAL 163 CO -0.01 0.20 0.01 0.20 0.00 0.00 0.00 175.10 175.50 2aha s ASN 164 N -0.20 0.03 -0.03 3.32 -0.87 -0.86 -0.90 114.94 115.43 2aha s ASN 164 Ca 0.03 0.01 -0.31 0.00 -1.57 0.00 0.00 52.86 51.02 2aha s ASN 164 Cb -0.03 -0.02 0.12 0.00 -0.02 0.00 0.00 41.25 41.29 2aha s ASN 164 CO -0.00 -0.03 1.20 0.72 -2.57 0.00 0.00 177.10 176.42 2aha s PHE 165 N 0.27 -0.09 -0.03 2.20 -0.71 -1.11 -2.44 117.98 116.07 2aha s PHE 165 Ca -0.02 -0.03 0.04 0.00 -1.04 0.00 0.00 56.93 55.88 2aha s PHE 165 Cb -0.03 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.32 2aha s PHE 165 CO -0.01 -0.35 -0.15 0.15 -1.34 0.00 0.00 175.22 173.52 2aha s LYS 166 N -2.58 1.47 -0.09 1.99 -0.14 -1.26 0.11 119.74 119.24 2aha s LYS 166 Ca 0.12 -0.54 -0.00 0.00 -1.36 0.00 0.00 55.97 54.19 2aha s LYS 166 Cb 0.02 -1.34 -0.03 0.00 -1.68 0.00 0.00 37.83 34.81 2aha s LYS 166 CO -0.03 0.26 -0.06 0.42 -0.76 0.00 0.00 175.35 175.18 2aha s ILE 167 N -0.08 3.80 -0.36 2.17 -1.09 -0.30 -4.96 121.20 120.39 2aha s ILE 167 Ca -0.00 -0.43 -0.13 0.00 -2.23 0.00 0.00 60.65 57.86 2aha s ILE 167 Cb -0.09 -2.58 -0.00 0.00 -1.58 0.00 0.00 42.46 38.21 2aha s ILE 167 CO 0.01 0.58 0.24 0.00 -1.23 0.00 0.00 174.94 174.54 2aha s ARG 168 N -0.58 3.26 -0.26 2.79 1.70 -1.26 -0.40 118.95 124.20 2aha s ARG 168 Ca 0.09 -0.80 -0.10 0.00 -0.47 0.00 0.00 55.73 54.45 2aha s ARG 168 Cb -0.12 -3.81 -0.04 0.00 -0.57 0.00 0.00 34.95 30.41 2aha s ARG 168 CO 0.02 -0.55 0.14 -1.01 -1.08 0.00 0.00 175.30 172.82 2aha s HIS 169 N 1.68 3.18 0.17 5.89 3.76 0.38 -4.80 115.29 125.54 2aha s HIS 169 Ca 0.05 -0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 54.60 2aha s HIS 169 Cb -0.18 -2.32 -0.08 0.00 1.11 0.00 0.00 32.58 31.12 2aha s HIS 169 CO 0.09 -0.20 1.20 -0.80 -0.85 0.00 0.00 174.74 174.18 2aha s ASN 170 N 1.63 7.08 0.31 1.40 0.01 -1.26 0.14 114.94 124.24 2aha s ASN 170 Ca 0.07 2.21 0.06 0.00 -0.71 0.00 0.00 52.86 54.49 2aha s ASN 170 Cb -0.15 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.89 2aha s ASN 170 CO 0.08 -0.39 0.42 -0.63 -1.51 0.00 0.00 177.10 175.07 2aha s ILE 171 N 0.12 4.30 0.12 0.60 1.01 -0.84 0.60 121.20 127.11 2aha s ILE 171 Ca 0.54 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 2aha s ILE 171 Cb -0.32 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2aha s ILE 171 CO 0.35 -0.20 1.64 -0.33 0.00 0.00 0.00 174.94 176.40 2aha h GLU 172 N 1.01 0.52 0.00 2.79 5.08 -0.81 -3.06 114.58 120.11 2aha h GLU 172 Ca -0.47 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2aha h GLU 172 Cb 1.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2aha h GLU 172 CO 0.55 0.55 0.00 0.38 -1.00 0.00 0.00 179.01 179.49 2aha h ASP 173 N 0.40 0.00 0.00 1.42 2.03 -1.97 -3.45 116.42 114.86 2aha h ASP 173 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 2aha h ASP 173 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2aha h ASP 173 CO -0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2aha n GLY 174 N -1.02 1.52 2.72 7.15 0.00 -1.16 -5.11 105.19 109.29 2aha n GLY 174 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2aha n GLY 174 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2aha n SER 175 N 0.00 -2.02 -3.72 1.61 7.64 -1.26 -4.85 113.62 111.02 2aha n SER 175 Ca 0.00 -0.99 -0.17 0.00 1.01 0.00 0.00 58.87 58.72 2aha n SER 175 Cb 0.00 -0.78 -0.17 0.00 -1.01 0.00 0.00 64.21 62.25 2aha n SER 175 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2aha s VAL 176 N -2.49 -0.09 -0.14 0.44 1.01 -1.26 -1.99 120.40 115.88 2aha s VAL 176 Ca 0.55 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.79 2aha s VAL 176 Cb -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 2aha s VAL 176 CO 0.43 0.13 0.07 -1.58 0.00 0.00 0.00 175.10 174.15 2aha s GLN 177 N 1.63 3.59 0.07 2.72 0.74 0.36 -4.84 119.66 123.93 2aha s GLN 177 Ca -0.02 -0.30 -0.06 0.00 0.05 0.00 0.00 55.36 55.02 2aha s GLN 177 Cb -0.12 -3.10 -0.05 0.00 1.10 0.00 0.00 33.01 30.83 2aha s GLN 177 CO -0.03 0.51 0.32 -0.51 -0.55 0.00 0.00 175.29 175.04 2aha s LEU 178 N -0.31 4.34 -0.32 3.68 2.01 -1.26 0.14 118.68 126.96 2aha s LEU 178 Ca 0.09 0.60 0.02 0.00 0.01 0.00 0.00 54.13 54.84 2aha s LEU 178 Cb -0.12 -2.94 0.10 0.00 0.01 0.00 0.00 46.19 43.23 2aha s LEU 178 CO 0.02 0.17 0.06 0.00 1.01 0.00 0.00 176.35 177.60 2aha s ALA 179 N -1.44 2.25 -0.41 4.21 0.00 0.47 -0.58 121.76 126.26 2aha s ALA 179 Ca 0.33 -2.06 -0.27 0.00 0.00 0.00 0.00 51.96 49.96 2aha s ALA 179 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.24 2aha s ALA 179 CO 0.20 -1.62 1.00 0.34 0.00 0.00 0.00 175.76 175.67 2aha s ASP 180 N 1.24 6.65 -0.09 0.00 -1.08 -0.63 -1.15 116.67 121.62 2aha s ASP 180 Ca 0.09 0.49 -0.11 0.00 -0.52 0.00 0.00 52.55 52.50 2aha s ASP 180 Cb -0.18 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2aha s ASP 180 CO -0.15 -1.01 0.26 -1.00 0.52 0.00 0.00 175.17 173.79 2aha s HIS 181 N 3.81 3.62 -0.06 -5.34 3.76 0.12 -1.62 115.29 119.57 2aha s HIS 181 Ca 0.41 0.69 0.04 0.00 -0.15 0.00 0.00 55.06 56.05 2aha s HIS 181 Cb -0.10 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.46 2aha s HIS 181 CO 0.23 0.62 -0.18 0.71 -0.85 0.00 0.00 174.74 175.27 2aha s TYR 182 N -0.77 1.89 0.04 1.40 2.02 0.11 -2.75 117.35 119.29 2aha s TYR 182 Ca 0.18 -0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 2aha s TYR 182 Cb -0.14 -1.29 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 2aha s TYR 182 CO 0.07 -0.25 0.04 -1.14 -1.57 0.00 0.00 175.55 172.69 2aha s GLN 183 N 0.25 0.54 -0.05 -0.62 0.74 -0.08 -0.84 119.66 119.61 2aha s GLN 183 Ca -0.10 -0.85 -0.07 0.00 0.05 0.00 0.00 55.36 54.39 2aha s GLN 183 Cb -0.14 0.20 0.01 0.00 1.10 0.00 0.00 33.01 34.18 2aha s GLN 183 CO 0.04 -0.12 0.18 -0.65 -0.55 0.00 0.00 175.29 174.20 2aha s GLN 184 N -2.72 0.33 -0.01 1.67 1.11 0.22 -0.97 119.66 119.28 2aha s GLN 184 Ca -0.04 0.05 0.03 0.00 0.01 0.00 0.00 55.36 55.41 2aha s GLN 184 Cb -0.01 0.15 -0.00 0.00 -1.01 0.00 0.00 33.01 32.14 2aha s GLN 184 CO -0.05 -0.06 -0.09 -0.80 0.01 0.00 0.00 175.29 174.29 2aha s ASN 185 N -0.41 1.11 0.02 5.90 -0.87 -0.54 -0.92 114.94 119.23 2aha s ASN 185 Ca -0.05 -0.17 0.01 0.00 -1.57 0.00 0.00 52.86 51.08 2aha s ASN 185 Cb -0.03 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.25 41.00 2aha s ASN 185 CO 0.01 0.10 -0.04 0.42 -2.57 0.00 0.00 177.10 175.01 2aha s THR 186 N -0.09 0.26 0.52 1.60 -4.23 -0.63 -1.81 115.64 111.26 2aha s THR 186 Ca 0.02 -0.70 -0.21 0.00 -1.18 0.00 0.00 61.69 59.61 2aha s THR 186 Cb -0.05 -0.33 -0.06 0.00 1.34 0.00 0.00 72.50 73.40 2aha s THR 186 CO -0.00 -0.29 1.21 -2.16 -0.54 0.00 0.00 174.62 172.84 2aha s PRO 187 N -1.04 3.42 -0.05 3.99 0.04 -1.26 -0.11 135.00 139.98 2aha s PRO 187 Ca -0.09 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 2aha s PRO 187 Cb -0.07 -2.23 -0.31 0.00 0.04 0.00 0.00 34.50 31.93 2aha s PRO 187 CO -0.00 -0.86 0.74 0.82 0.04 0.00 0.00 177.00 177.73 2aha h ILE 188 N 1.50 1.14 -4.09 0.56 2.04 -1.33 -3.44 117.51 113.90 2aha h ILE 188 Ca -0.50 -2.51 -0.45 0.00 1.00 0.00 0.00 64.86 62.39 2aha h ILE 188 Cb 1.27 2.89 0.15 0.00 -0.74 0.00 0.00 36.82 40.38 2aha h ILE 188 CO 0.58 0.77 0.29 -0.83 0.00 0.00 0.00 178.15 178.96 2aha s GLY 189 N -4.84 1.60 0.15 5.37 0.00 -1.26 -5.00 107.32 103.34 2aha s GLY 189 Ca -0.16 -0.67 0.18 0.00 0.00 0.00 0.00 44.72 44.08 2aha s GLY 189 CO 0.84 -0.03 1.02 -0.55 0.00 0.00 0.00 173.10 174.38 2aha h ASP 190 N -1.70 0.00 -2.31 1.64 3.32 -1.99 -3.48 116.42 111.91 2aha h ASP 190 Ca -0.49 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.23 2aha h ASP 190 Cb 1.31 0.00 0.18 0.00 0.22 0.00 0.00 39.33 41.05 2aha h ASP 190 CO 0.55 0.39 -0.50 0.61 -1.72 0.00 0.00 179.24 178.57 2aha n GLY 191 N 1.30 -2.73 3.74 2.75 0.00 -1.26 -4.97 105.19 104.02 2aha n GLY 191 Ca -0.05 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 2aha n GLY 191 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aha s PRO 192 N -3.81 4.66 0.16 1.61 0.04 -1.26 -5.08 135.00 131.32 2aha s PRO 192 Ca 0.50 1.34 0.05 0.00 0.04 0.00 0.00 61.00 62.93 2aha s PRO 192 Cb -0.10 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2aha s PRO 192 CO 0.49 0.31 -0.12 0.14 0.04 0.00 0.00 177.00 177.86 2aha s VAL 193 N -0.28 1.33 0.06 -0.36 -7.23 -1.26 -4.83 120.40 107.82 2aha s VAL 193 Ca 0.43 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 2aha s VAL 193 Cb -0.23 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2aha s VAL 193 CO 0.28 -0.65 0.98 -0.76 -0.31 0.00 0.00 175.10 174.64 2aha s LEU 194 N -3.06 4.43 -0.29 1.32 1.02 -1.26 -5.01 118.68 115.82 2aha s LEU 194 Ca 0.16 1.74 -0.06 0.00 0.02 0.00 0.00 54.13 56.00 2aha s LEU 194 Cb 0.00 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.65 2aha s LEU 194 CO 0.02 -0.18 0.06 -0.76 0.02 0.00 0.00 176.35 175.51 2aha s LEU 195 N 0.50 3.80 0.66 1.79 1.43 -1.26 -4.07 118.68 121.54 2aha s LEU 195 Ca 0.50 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 2aha s LEU 195 Cb -0.23 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2aha s LEU 195 CO 0.29 -0.20 1.06 -2.16 0.23 0.00 0.00 176.35 175.56 2aha s PRO 196 N 1.44 3.22 0.75 1.29 0.04 -1.26 -4.92 135.00 135.56 2aha s PRO 196 Ca 0.01 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.64 2aha s PRO 196 Cb -0.18 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.37 2aha s PRO 196 CO 0.01 -0.83 1.12 -0.51 0.04 0.00 0.00 177.00 176.83 2aha s ASP 197 N -4.15 4.94 0.31 6.66 1.01 -1.26 -3.79 116.67 120.39 2aha s ASP 197 Ca 0.57 0.88 -0.29 0.00 0.71 0.00 0.00 52.55 54.41 2aha s ASP 197 Cb -0.12 -1.52 -0.11 0.00 1.01 0.00 0.00 42.92 42.18 2aha s ASP 197 CO 0.54 -1.63 1.53 0.20 0.21 0.00 0.00 175.17 176.02 2aha s ASN 198 N -4.48 6.43 0.00 0.27 -0.87 -1.26 -4.78 114.94 110.25 2aha s ASN 198 Ca 0.60 2.92 0.00 0.00 -1.57 0.00 0.00 52.86 54.80 2aha s ASN 198 Cb -0.11 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.48 2aha s ASN 198 CO 0.49 -0.85 0.00 0.00 -2.57 0.00 0.00 177.10 174.17 2aha n HIS 199 N 1.73 -0.10 -3.50 2.20 1.44 -0.27 -4.76 115.22 111.96 2aha n HIS 199 Ca 0.06 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.65 2aha n HIS 199 Cb 0.38 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 2aha n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2aha s TYR 200 N -3.56 -0.41 -0.19 -1.40 -0.85 -0.69 0.02 117.35 110.27 2aha s TYR 200 Ca 0.00 0.16 -0.06 0.00 -0.52 0.00 0.00 57.07 56.65 2aha s TYR 200 Cb 0.00 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.76 2aha s TYR 200 CO 0.00 -0.80 0.03 -0.51 -1.52 0.00 0.00 175.55 172.75 2aha s LEU 201 N -2.77 3.48 -0.48 -3.49 1.43 0.13 -0.38 118.68 116.60 2aha s LEU 201 Ca 0.02 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 2aha s LEU 201 Cb -0.00 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.37 2aha s LEU 201 CO -0.12 0.10 0.79 -0.55 0.23 0.00 0.00 176.35 176.80 2aha s SER 202 N 0.79 6.37 -0.17 2.29 0.15 0.21 -1.19 113.70 122.15 2aha s SER 202 Ca 0.02 -0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 2aha s SER 202 Cb -0.14 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2aha s SER 202 CO 0.02 -0.97 -0.03 0.42 1.20 0.00 0.00 173.24 173.88 2aha s THR 203 N 3.32 3.88 -0.16 6.45 -4.23 0.48 0.22 115.64 125.61 2aha s THR 203 Ca 0.28 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2aha s THR 203 Cb -0.13 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.02 2aha s THR 203 CO 0.21 0.48 -0.13 0.00 -0.54 0.00 0.00 174.62 174.63 2aha s SER 205 N 1.47 0.34 0.08 0.00 1.04 -1.25 -0.79 113.70 114.59 2aha s SER 205 Ca 0.04 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 55.97 2aha s SER 205 Cb -0.13 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2aha s SER 205 CO -0.10 -0.22 0.16 0.00 0.98 0.00 0.00 173.24 174.06 2aha s ALA 206 N -1.17 -0.15 0.06 5.32 0.00 -0.34 -4.22 121.76 121.27 2aha s ALA 206 Ca -0.12 -0.66 0.09 0.00 0.00 0.00 0.00 51.96 51.28 2aha s ALA 206 Cb -0.08 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2aha s ALA 206 CO -0.01 -0.48 -0.25 -0.51 0.00 0.00 0.00 175.76 174.52 2aha s LEU 207 N -2.79 2.31 0.32 0.00 1.43 -1.26 -1.30 118.68 117.38 2aha s LEU 207 Ca 0.04 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2aha s LEU 207 Cb 0.05 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 2aha s LEU 207 CO -0.10 0.24 0.39 -0.55 0.23 0.00 0.00 176.35 176.56 2aha s SER 208 N -1.47 1.00 0.35 2.29 0.15 0.47 -4.98 113.70 111.51 2aha s SER 208 Ca 0.13 -1.52 0.09 0.00 0.70 0.00 0.00 55.95 55.34 2aha s SER 208 Cb -0.10 0.61 -0.06 0.00 -1.71 0.00 0.00 66.02 64.76 2aha s SER 208 CO 0.04 -1.19 0.03 -0.54 1.20 0.00 0.00 173.24 172.78 2aha s LYS 209 N -3.31 2.08 -0.34 5.44 -0.14 -1.26 -1.08 119.74 121.13 2aha s LYS 209 Ca 0.34 -1.79 -0.09 0.00 -1.36 0.00 0.00 55.97 53.06 2aha s LYS 209 Cb 0.01 -1.91 0.02 0.00 -1.68 0.00 0.00 37.83 34.28 2aha s LYS 209 CO 0.21 0.09 0.15 0.34 -0.76 0.00 0.00 175.35 175.38 2aha s ASP 210 N -3.74 5.50 0.56 2.83 -1.08 -1.26 -4.88 116.67 114.59 2aha s ASP 210 Ca 0.36 -0.94 0.44 0.00 -0.52 0.00 0.00 52.55 51.89 2aha s ASP 210 Cb 0.01 -1.95 1.62 0.00 -1.46 0.00 0.00 42.92 41.14 2aha s ASP 210 CO 0.20 -0.32 1.65 1.55 0.52 0.00 0.00 175.17 178.77 2aha h PRO 211 N 8.33 0.00 -0.52 4.34 0.13 -2.05 0.39 132.00 142.63 2aha h PRO 211 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2aha h PRO 211 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2aha h PRO 211 CO 0.63 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 2aha n ASN 212 N -3.98 4.17 -4.62 1.44 3.02 -1.26 -4.95 115.26 109.07 2aha n ASN 212 Ca 0.35 -2.42 -0.38 0.00 -0.03 0.00 0.00 54.58 52.10 2aha n ASN 212 Cb 1.67 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 40.26 2aha n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2aha s GLU 213 N -1.78 4.03 0.04 3.52 2.56 0.13 -4.94 118.70 122.25 2aha s GLU 213 Ca 0.43 -0.12 0.05 0.00 0.00 0.00 0.00 54.97 55.33 2aha s GLU 213 Cb 0.28 -3.62 -0.24 0.00 2.00 0.00 0.00 34.13 32.56 2aha s GLU 213 CO 0.20 -0.14 0.98 1.57 -0.56 0.00 0.00 175.26 177.31 2aha h LYS 214 N 7.99 0.09 -7.38 4.30 2.10 -1.92 -3.47 116.57 118.27 2aha h LYS 214 Ca -0.35 -0.15 -0.50 0.00 -2.00 0.00 0.00 60.65 57.65 2aha h LYS 214 Cb 1.17 0.05 0.08 0.00 -0.90 0.00 0.00 32.23 32.64 2aha h LYS 214 CO 0.62 0.91 0.39 1.03 -2.00 0.00 0.00 179.45 180.40 2aha s ARG 215 N -2.65 3.01 0.14 0.07 0.52 -1.26 -4.93 118.95 113.85 2aha s ARG 215 Ca -0.04 0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 55.61 2aha s ARG 215 Cb 0.08 -2.01 -0.11 0.00 0.52 0.00 0.00 34.95 33.43 2aha s ARG 215 CO 0.83 -0.99 1.76 0.34 0.02 0.00 0.00 175.30 177.26 2aha s ASP 216 N -4.03 6.44 0.31 0.23 2.15 -1.26 -4.91 116.67 115.60 2aha s ASP 216 Ca 0.57 2.75 -0.14 0.00 0.43 0.00 0.00 52.55 56.16 2aha s ASP 216 Cb -0.13 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 2aha s ASP 216 CO 0.54 -0.97 0.63 -1.38 -0.17 0.00 0.00 175.17 173.82 2aha s HIS 217 N 2.19 0.24 -0.17 -5.34 -3.43 -1.26 -2.18 115.29 105.34 2aha s HIS 217 Ca 0.78 -0.69 -0.16 0.00 -0.80 0.00 0.00 55.06 54.18 2aha s HIS 217 Cb -0.46 0.48 0.05 0.00 -1.43 0.00 0.00 32.58 31.21 2aha s HIS 217 CO 0.34 -1.25 0.47 1.41 -2.00 0.00 0.00 174.74 173.71 2aha s MET 218 N -3.38 0.56 -0.18 -0.38 1.75 -0.17 -4.96 119.30 112.54 2aha s MET 218 Ca 0.18 0.62 -0.04 0.00 -1.25 0.00 0.00 55.69 55.20 2aha s MET 218 Cb -0.03 0.27 -0.02 0.00 2.84 0.00 0.00 34.83 37.88 2aha s MET 218 CO 0.11 -0.07 -0.03 0.08 -0.65 0.00 0.00 175.02 174.46 2aha s VAL 219 N 0.18 3.85 -0.13 10.11 1.01 -0.24 0.14 120.40 135.31 2aha s VAL 219 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2aha s VAL 219 Cb -0.03 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2aha s VAL 219 CO 0.01 0.46 -0.14 -0.22 0.00 0.00 0.00 175.10 175.21 2aha s LEU 220 N 0.71 2.65 -0.04 3.92 2.96 -0.10 -0.40 118.68 128.39 2aha s LEU 220 Ca -0.01 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2aha s LEU 220 Cb -0.14 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2aha s LEU 220 CO 0.02 0.15 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.30 2aha s LEU 221 N 0.46 1.85 0.17 -0.68 1.02 -0.42 -0.54 118.68 120.53 2aha s LEU 221 Ca -0.10 -0.28 -0.07 0.00 0.02 0.00 0.00 54.13 53.69 2aha s LEU 221 Cb -0.16 -0.80 -0.02 0.00 0.02 0.00 0.00 46.19 45.24 2aha s LEU 221 CO 0.05 0.11 0.25 -1.61 0.02 0.00 0.00 176.35 175.17 2aha s GLU 222 N 0.13 1.16 -0.13 1.70 2.02 0.13 -1.19 118.70 122.51 2aha s GLU 222 Ca -0.04 -1.26 -0.04 0.00 0.02 0.00 0.00 54.97 53.66 2aha s GLU 222 Cb -0.11 0.36 0.06 0.00 0.10 0.00 0.00 34.13 34.54 2aha s GLU 222 CO 0.02 -0.41 0.13 0.50 0.02 0.00 0.00 175.26 175.51 2aha s ARG 223 N -4.00 0.06 -0.06 1.61 6.06 0.03 -0.14 118.95 122.51 2aha s ARG 223 Ca 0.20 0.23 0.03 0.00 -2.50 0.00 0.00 55.73 53.69 2aha s ARG 223 Cb 0.04 -1.07 0.01 0.00 0.06 0.00 0.00 34.95 33.98 2aha s ARG 223 CO 0.02 -0.52 -0.15 0.08 -2.50 0.00 0.00 175.30 172.23 2aha s VAL 224 N 2.23 1.35 -0.03 7.11 1.01 0.18 -0.45 120.40 131.80 2aha s VAL 224 Ca 0.04 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2aha s VAL 224 Cb -0.14 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2aha s VAL 224 CO -0.08 0.40 -0.03 0.28 0.00 0.00 0.00 175.10 175.67 2aha s THR 225 N 0.43 0.37 0.33 3.92 -1.32 0.13 -0.84 115.64 118.66 2aha s THR 225 Ca -0.12 -0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 2aha s THR 225 Cb -0.15 -0.41 -0.10 0.00 -1.51 0.00 0.00 72.50 70.33 2aha s THR 225 CO 0.04 0.18 1.28 0.00 -2.21 0.00 0.00 174.62 173.90 2aha s ALA 226 N 0.83 3.47 0.38 11.08 0.00 -0.11 0.64 121.76 138.06 2aha s ALA 226 Ca -0.10 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.96 2aha s ALA 226 Cb -0.13 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.57 2aha s ALA 226 CO -0.01 -0.58 0.69 0.00 0.00 0.00 0.00 175.76 175.86 2aha s ALA 227 N -1.16 -0.16 0.00 0.00 0.00 0.49 -4.61 121.76 116.32 2aha s ALA 227 Ca 0.49 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2aha s ALA 227 Cb -0.38 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2aha s ALA 227 CO 0.51 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2aha n GLY 228 N -0.56 0.79 0.00 0.00 0.00 -1.26 -1.70 105.19 102.46 2aha n GLY 228 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2aha n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71