#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b6e s TRP 3 N 0.00 2.83 -0.45 1.96 0.52 -1.26 -4.82 118.94 117.73 2b6e s TRP 3 Ca 0.00 1.42 0.15 0.00 0.02 0.00 0.00 56.10 57.69 2b6e s TRP 3 Cb 0.00 -3.65 -0.18 0.00 -1.15 0.00 0.00 33.47 28.49 2b6e s TRP 3 CO 0.00 -2.03 0.51 1.63 0.02 0.00 0.00 176.95 177.08 2b6e n LYS 4 N 0.11 1.58 -4.21 4.98 5.02 -0.43 -4.98 118.16 120.23 2b6e n LYS 4 Ca 0.04 -0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 2b6e n LYS 4 Cb 0.44 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 2b6e n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2b6e s LYS 5 N -2.61 2.49 0.09 1.97 1.02 -1.11 -4.82 119.74 116.77 2b6e s LYS 5 Ca 0.02 -1.19 -0.08 0.00 0.02 0.00 0.00 55.97 54.73 2b6e s LYS 5 Cb 0.10 -2.34 -0.06 0.00 -0.52 0.00 0.00 37.83 35.02 2b6e s LYS 5 CO 0.60 0.42 0.38 -0.08 -0.92 0.00 0.00 175.35 175.75 2b6e s THR 6 N -2.01 5.13 0.14 2.17 -1.32 -1.26 -5.03 115.64 113.47 2b6e s THR 6 Ca 0.30 0.31 -0.25 0.00 -1.21 0.00 0.00 61.69 60.83 2b6e s THR 6 Cb -0.08 -3.63 0.07 0.00 -1.51 0.00 0.00 72.50 67.35 2b6e s THR 6 CO 0.20 0.22 0.93 0.72 -2.21 0.00 0.00 174.62 174.48 2b6e s PHE 7 N -1.47 -0.17 0.05 9.09 -0.12 -1.26 -5.14 117.98 118.96 2b6e s PHE 7 Ca 0.35 -0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.12 2b6e s PHE 7 Cb -0.13 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 2b6e s PHE 7 CO 0.20 -0.82 -0.06 0.95 -0.05 0.00 0.00 175.22 175.43 2b6e s THR 8 N -3.32 0.44 0.29 -4.49 -4.23 -1.26 -5.04 115.64 98.02 2b6e s THR 8 Ca 0.11 -1.25 -0.03 0.00 -1.18 0.00 0.00 61.69 59.35 2b6e s THR 8 Cb -0.02 -0.79 0.23 0.00 1.34 0.00 0.00 72.50 73.27 2b6e s THR 8 CO 0.01 -0.55 1.92 -0.07 -0.54 0.00 0.00 174.62 175.39 2b6e h LEU 9 N 4.16 0.93 -0.35 4.79 3.38 -1.99 -0.98 115.31 125.25 2b6e h LEU 9 Ca -0.35 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2b6e h LEU 9 Cb 1.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2b6e h LEU 9 CO 0.47 0.74 0.21 -0.08 0.09 0.00 0.00 178.44 179.87 2b6e h GLU 10 N 1.06 0.42 -0.40 1.13 4.81 -1.96 -1.20 114.58 118.45 2b6e h GLU 10 Ca 0.27 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2b6e h GLU 10 Cb -0.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2b6e h GLU 10 CO -0.05 0.28 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.51 2b6e h ASN 11 N 0.44 0.68 -0.40 1.04 -0.26 -1.83 -1.28 115.58 113.96 2b6e h ASN 11 Ca 0.13 -0.19 -0.10 0.00 -0.56 0.00 0.00 56.30 55.59 2b6e h ASN 11 Cb -0.02 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 2b6e h ASN 11 CO -0.05 0.81 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.93 2b6e h LEU 12 N 0.63 0.80 -1.02 1.61 3.38 -0.83 -0.54 115.31 119.33 2b6e h LEU 12 Ca 0.11 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2b6e h LEU 12 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2b6e h LEU 12 CO 0.03 0.99 -0.30 0.78 0.09 0.00 0.00 178.44 180.03 2b6e h ASN 13 N 0.59 0.33 -0.49 -0.43 2.35 -1.08 -1.06 115.58 115.79 2b6e h ASN 13 Ca 0.10 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2b6e h ASN 13 Cb 0.66 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 2b6e h ASN 13 CO 0.04 0.63 0.12 -0.61 -1.65 0.00 0.00 177.43 175.96 2b6e h GLN 14 N 0.28 0.78 -0.57 0.81 -0.00 -0.97 -1.98 115.11 113.48 2b6e h GLN 14 Ca 0.04 -0.19 -0.03 0.00 -0.00 0.00 0.00 58.65 58.47 2b6e h GLN 14 Cb 0.68 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.03 2b6e h GLN 14 CO 0.05 0.76 0.21 1.25 0.00 0.00 0.00 178.83 181.10 2b6e h LEU 15 N 0.67 0.76 -0.25 -2.39 5.85 -0.50 -2.49 115.31 116.96 2b6e h LEU 15 Ca 0.15 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2b6e h LEU 15 Cb 0.33 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2b6e h LEU 15 CO 0.00 0.69 -0.04 0.00 -0.34 0.00 0.00 178.44 178.76 2b6e s SER 17 N -2.23 3.96 -1.43 0.00 1.04 -0.78 -3.52 113.70 110.75 2b6e s SER 17 Ca 0.37 2.09 -0.01 0.00 0.48 0.00 0.00 55.95 58.88 2b6e s SER 17 Cb 0.21 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.78 2b6e s SER 17 CO 0.41 -2.41 0.42 -3.20 0.98 0.00 0.00 173.24 169.44 2b6e n ASN 18 N -3.45 -0.40 -0.99 7.02 5.15 -1.26 -4.91 115.26 116.42 2b6e n ASN 18 Ca 0.11 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 2b6e n ASN 18 Cb 0.52 -2.98 0.00 0.00 -0.53 0.00 0.00 39.78 36.79 2b6e n ASN 18 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2b6e n SER 19 N -2.97 0.00 0.15 1.20 3.41 -1.25 -5.01 113.62 109.15 2b6e n SER 19 Ca -0.29 -0.99 0.03 0.00 -0.26 0.00 0.00 58.87 57.36 2b6e n SER 19 Cb 0.68 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 65.05 2b6e n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b6e h ALA 20 N 1.37 1.55 0.55 7.33 0.00 -1.93 -0.77 119.26 127.36 2b6e h ALA 20 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2b6e h ALA 20 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2b6e h ALA 20 CO 0.00 0.32 -0.26 0.28 0.00 0.00 0.00 179.25 179.59 2b6e h VAL 21 N 0.15 0.45 0.00 0.00 2.07 -1.95 -1.13 116.25 115.85 2b6e h VAL 21 Ca 0.03 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2b6e h VAL 21 Cb 0.37 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2b6e h VAL 21 CO 0.02 0.01 -0.41 0.77 0.02 0.00 0.00 177.57 177.99 2b6e h SER 22 N -0.79 0.00 -0.10 0.57 4.64 -1.57 -1.87 113.55 114.44 2b6e h SER 22 Ca -0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 2b6e h SER 22 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2b6e h SER 22 CO 0.12 0.41 -0.12 -0.74 -0.87 0.00 0.00 176.83 175.63 2b6e h HIS 23 N 0.00 0.46 -0.02 4.77 2.76 -0.88 -1.51 115.15 120.73 2b6e h HIS 23 Ca -0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2b6e h HIS 23 Cb 0.83 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2b6e h HIS 23 CO 0.00 0.54 0.00 1.28 -1.30 0.00 0.00 177.93 178.45 2b6e n LEU 24 N -4.22 0.66 -0.22 0.26 4.77 -0.45 -4.89 117.00 112.92 2b6e n LEU 24 Ca 0.00 -0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 55.72 2b6e n LEU 24 Cb 0.31 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2b6e n LEU 24 CO 0.40 0.12 -0.03 0.61 -1.33 0.00 0.00 177.39 177.15 2b6e n GLY 25 N 1.06 0.60 3.75 -0.72 0.00 -0.57 -4.53 105.19 104.79 2b6e n GLY 25 Ca 0.21 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2b6e n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b6e s ILE 26 N -2.03 3.36 -0.06 -0.61 1.01 -0.73 -4.35 121.20 117.79 2b6e s ILE 26 Ca 0.00 1.29 0.01 0.00 0.00 0.00 0.00 60.65 61.95 2b6e s ILE 26 Cb 0.00 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.67 2b6e s ILE 26 CO 0.00 0.28 -0.05 -0.70 0.00 0.00 0.00 174.94 174.47 2b6e s GLU 27 N -1.12 0.94 -0.33 2.79 2.12 -0.25 -4.52 118.70 118.33 2b6e s GLU 27 Ca 0.48 -0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.41 2b6e s GLU 27 Cb -0.34 -0.98 -0.01 0.00 0.26 0.00 0.00 34.13 33.07 2b6e s GLU 27 CO 0.42 -0.12 1.52 0.42 -0.54 0.00 0.00 175.26 176.96 2b6e s ILE 28 N 1.12 3.80 -0.12 -3.70 -1.09 -1.26 -0.71 121.20 119.25 2b6e s ILE 28 Ca -0.08 0.86 0.20 0.00 -2.23 0.00 0.00 60.65 59.39 2b6e s ILE 28 Cb -0.14 -3.97 -0.29 0.00 -1.58 0.00 0.00 42.46 36.49 2b6e s ILE 28 CO -0.01 -0.54 0.25 -1.54 -1.23 0.00 0.00 174.94 171.88 2b6e n SER 29 N 8.86 0.07 -3.58 3.58 3.41 -0.26 -4.88 113.62 120.82 2b6e n SER 29 Ca 0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.74 2b6e n SER 29 Cb 0.47 1.45 -0.02 0.00 -0.26 0.00 0.00 64.21 65.85 2b6e n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b6e s ALA 30 N -2.95 -1.96 0.07 7.33 0.00 -1.18 -5.00 121.76 118.08 2b6e s ALA 30 Ca -0.09 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 2b6e s ALA 30 Cb 0.10 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.46 2b6e s ALA 30 CO 0.85 -0.73 0.37 -0.59 0.00 0.00 0.00 175.76 175.66 2b6e s PHE 31 N -2.77 -0.19 0.00 0.00 -0.71 -1.26 0.13 117.98 113.18 2b6e s PHE 31 Ca 0.09 0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 2b6e s PHE 31 Cb -0.00 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 2b6e s PHE 31 CO -0.05 -0.59 0.00 0.41 -1.34 0.00 0.00 175.22 173.64 2b6e n GLY 32 N 0.28 6.28 0.27 1.99 0.00 0.76 -4.98 105.19 109.79 2b6e n GLY 32 Ca -0.18 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 2b6e n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2b6e h GLU 33 N 0.00 0.76 -0.15 1.61 5.08 -2.03 -3.36 114.58 116.49 2b6e h GLU 33 Ca 0.00 -0.28 -0.20 0.00 -1.00 0.00 0.00 59.36 57.88 2b6e h GLU 33 Cb 0.00 -0.05 -0.37 0.00 0.50 0.00 0.00 28.75 28.83 2b6e h GLU 33 CO 0.00 0.88 -1.01 -0.40 -1.00 0.00 0.00 179.01 177.48 2b6e n ASP 34 N -4.14 1.04 -3.56 1.42 5.75 -1.26 -2.01 116.55 113.79 2b6e n ASP 34 Ca 0.01 -2.01 -0.13 0.00 -0.01 0.00 0.00 54.79 52.64 2b6e n ASP 34 Cb 0.40 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 2b6e n ASP 34 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 2b6e s TRP 35 N -1.35 -0.42 -0.05 2.11 1.48 -1.26 -4.38 118.94 115.07 2b6e s TRP 35 Ca 0.29 0.40 -0.09 0.00 -1.06 0.00 0.00 56.10 55.64 2b6e s TRP 35 Cb 0.35 0.36 0.02 0.00 -1.16 0.00 0.00 33.47 33.04 2b6e s TRP 35 CO -0.11 -0.68 0.22 -1.50 -4.06 0.00 0.00 176.95 170.81 2b6e s ILE 36 N -2.77 0.04 0.18 0.66 2.07 -1.09 -0.17 121.20 120.12 2b6e s ILE 36 Ca -0.04 -0.31 0.08 0.00 -1.41 0.00 0.00 60.65 58.98 2b6e s ILE 36 Cb -0.00 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 2b6e s ILE 36 CO -0.04 -0.17 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.04 2b6e s GLU 37 N -0.62 1.28 0.00 3.50 2.02 0.12 -1.01 118.70 123.99 2b6e s GLU 37 Ca -0.07 -1.45 0.01 0.00 0.02 0.00 0.00 54.97 53.47 2b6e s GLU 37 Cb -0.04 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.93 2b6e s GLU 37 CO 0.01 0.24 -0.03 0.00 0.02 0.00 0.00 175.26 175.51 2b6e s ALA 38 N -2.32 0.19 0.00 5.21 0.00 -0.69 -1.10 121.76 123.06 2b6e s ALA 38 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2b6e s ALA 38 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2b6e s ALA 38 CO 0.07 0.01 0.00 0.25 0.00 0.00 0.00 175.76 176.09 2b6e n THR 39 N 2.74 0.00 -4.32 0.00 -2.24 0.12 -0.79 114.28 109.80 2b6e n THR 39 Ca -0.14 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 2b6e n THR 39 Cb 0.58 -0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 68.23 2b6e n THR 39 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2b6e s PRO 41 N -1.79 2.06 -0.61 -0.78 0.04 -1.26 -1.09 135.00 131.57 2b6e s PRO 41 Ca 0.00 -1.37 -0.06 0.00 0.04 0.00 0.00 61.00 59.61 2b6e s PRO 41 Cb 0.00 -2.10 0.16 0.00 0.04 0.00 0.00 34.50 32.59 2b6e s PRO 41 CO 0.00 0.40 0.45 0.08 0.04 0.00 0.00 177.00 177.98 2b6e s VAL 42 N -1.95 4.05 0.00 -0.36 1.01 0.08 -4.68 120.40 118.55 2b6e s VAL 42 Ca 0.27 -2.60 -0.00 0.00 0.00 0.00 0.00 61.98 59.65 2b6e s VAL 42 Cb -0.08 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2b6e s VAL 42 CO 0.16 -0.87 0.01 -0.90 0.00 0.00 0.00 175.10 173.50 2b6e n ASP 43 N 3.91 -0.01 0.30 3.32 5.68 -1.26 -4.44 116.55 124.04 2b6e n ASP 43 Ca 0.05 -1.02 0.16 0.00 -0.50 0.00 0.00 54.79 53.48 2b6e n ASP 43 Cb 0.40 0.03 0.85 0.00 -1.14 0.00 0.00 41.12 41.26 2b6e n ASP 43 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2b6e h HIS 44 N 1.01 0.00 0.00 2.11 2.07 -1.97 0.18 115.15 118.56 2b6e h HIS 44 Ca -0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 2b6e h HIS 44 Cb 0.01 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.98 2b6e h HIS 44 CO 0.00 0.00 -0.57 0.00 -3.07 0.00 0.00 177.93 174.29 2b6e h ARG 45 N 0.00 0.00 -1.77 5.12 3.08 -1.95 -3.48 114.38 115.38 2b6e h ARG 45 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2b6e h ARG 45 Cb 0.41 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.04 2b6e h ARG 45 CO 0.00 0.57 -0.78 0.25 -1.07 0.00 0.00 179.97 178.94 2b6e n THR 46 N -3.40 2.28 -4.27 2.04 -2.24 0.64 -4.98 114.28 104.35 2b6e n THR 46 Ca 0.01 -4.94 -0.24 0.00 -2.27 0.00 0.00 64.05 56.60 2b6e n THR 46 Cb 0.70 -1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 67.81 2b6e n THR 46 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2b6e s GLN 48 N -3.39 2.17 0.63 -0.78 -0.21 0.32 -0.63 119.66 117.77 2b6e s GLN 48 Ca 0.46 -1.67 0.32 0.00 0.02 0.00 0.00 55.36 54.49 2b6e s GLN 48 Cb 0.36 -2.01 1.80 0.00 1.00 0.00 0.00 33.01 34.16 2b6e s GLN 48 CO -0.14 0.14 2.09 -1.00 -2.12 0.00 0.00 175.29 174.27 2b6e h PRO 49 N 1.75 0.00 -0.82 2.91 0.13 -1.98 -2.53 132.00 131.46 2b6e h PRO 49 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 2b6e h PRO 49 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 2b6e h PRO 49 CO 0.65 0.00 0.08 1.97 -0.23 0.00 0.00 178.00 180.47 2b6e n PHE 50 N -3.39 1.25 -0.73 1.56 -1.74 -1.26 -4.93 117.46 108.21 2b6e n PHE 50 Ca 0.00 -0.57 0.00 0.00 -0.56 0.00 0.00 57.45 56.32 2b6e n PHE 50 Cb 0.31 -0.39 0.00 0.00 1.52 0.00 0.00 39.48 40.92 2b6e n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2b6e n GLY 51 N 0.18 0.64 3.41 4.97 0.00 -0.95 -5.07 105.19 108.38 2b6e n GLY 51 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2b6e n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b6e s VAL 52 N -2.07 2.21 0.21 1.61 -7.23 -1.26 -4.59 120.40 109.28 2b6e s VAL 52 Ca 0.00 -2.21 -0.32 0.00 -1.81 0.00 0.00 61.98 57.64 2b6e s VAL 52 Cb 0.00 -2.14 -0.14 0.00 0.56 0.00 0.00 36.38 34.66 2b6e s VAL 52 CO 0.00 -0.36 1.34 -0.11 -0.31 0.00 0.00 175.10 175.66 2b6e n LEU 53 N -0.24 2.59 -4.64 1.32 7.94 0.21 -0.52 117.00 123.66 2b6e n LEU 53 Ca -0.08 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.53 2b6e n LEU 53 Cb 0.59 -1.36 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 2b6e n LEU 53 CO 0.34 -0.74 1.07 -2.28 -1.11 0.00 0.00 177.39 174.67 2b6e s HIS 54 N -0.05 2.86 0.39 1.96 5.65 0.20 -4.60 115.29 121.70 2b6e s HIS 54 Ca 0.70 1.00 0.11 0.00 0.25 0.00 0.00 55.06 57.12 2b6e s HIS 54 Cb -0.72 -3.79 0.89 0.00 -1.18 0.00 0.00 32.58 27.79 2b6e s HIS 54 CO 0.50 -1.39 1.93 0.78 -0.65 0.00 0.00 174.74 175.91 2b6e h GLY 55 N 10.47 0.89 1.16 1.59 0.00 -1.90 -1.01 103.07 114.28 2b6e h GLY 55 Ca -0.24 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2b6e h GLY 55 CO 1.03 0.12 0.19 -1.33 0.00 0.00 0.00 176.54 176.55 2b6e h GLY 56 N 0.59 1.13 2.00 4.60 0.00 -1.96 -2.32 103.07 107.10 2b6e h GLY 56 Ca 0.36 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 2b6e h GLY 56 CO -0.13 0.63 -0.49 -2.08 0.00 0.00 0.00 176.54 174.47 2b6e h VAL 57 N 1.00 1.31 -0.53 4.60 2.07 -1.55 -1.89 116.25 121.26 2b6e h VAL 57 Ca 0.22 -1.71 -0.06 0.00 0.82 0.00 0.00 66.70 65.97 2b6e h VAL 57 Cb 0.32 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2b6e h VAL 57 CO -0.00 0.48 0.10 0.28 0.02 0.00 0.00 177.57 178.45 2b6e h SER 58 N 0.00 0.78 0.01 0.57 0.02 -0.84 -1.39 113.55 112.69 2b6e h SER 58 Ca -0.00 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.65 2b6e h SER 58 Cb 0.89 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2b6e h SER 58 CO 0.06 0.78 -0.47 0.58 -1.14 0.00 0.00 176.83 176.64 2b6e h VAL 59 N 0.79 1.31 -0.94 2.27 2.07 -0.98 -1.21 116.25 119.57 2b6e h VAL 59 Ca 0.17 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 2b6e h VAL 59 Cb 0.33 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 2b6e h VAL 59 CO 0.00 0.52 0.55 0.00 0.02 0.00 0.00 177.57 178.67 2b6e h ALA 60 N 1.05 1.21 -0.33 1.67 0.00 -0.68 0.57 119.26 122.75 2b6e h ALA 60 Ca 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2b6e h ALA 60 Cb 0.99 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2b6e h ALA 60 CO 0.09 0.66 0.06 1.25 0.00 0.00 0.00 179.25 181.31 2b6e h LEU 61 N 1.30 0.53 -0.38 0.00 5.85 -1.02 -1.71 115.31 119.87 2b6e h LEU 61 Ca 0.33 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2b6e h LEU 61 Cb -0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2b6e h LEU 61 CO -0.06 0.65 0.20 0.00 -0.34 0.00 0.00 178.44 178.88 2b6e h ALA 62 N 0.90 0.47 -0.37 1.25 0.00 -0.56 -1.98 119.26 118.97 2b6e h ALA 62 Ca 0.10 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2b6e h ALA 62 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2b6e h ALA 62 CO 0.01 -0.16 -0.08 1.49 0.00 0.00 0.00 179.25 180.50 2b6e h GLU 63 N 0.40 0.62 0.87 0.00 4.81 -0.81 -1.86 114.58 118.61 2b6e h GLU 63 Ca 0.16 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2b6e h GLU 63 Cb 0.05 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.37 2b6e h GLU 63 CO -0.10 0.70 -0.43 1.15 -0.73 0.00 0.00 179.01 179.60 2b6e h THR 64 N 0.57 0.13 -0.17 0.32 2.02 -0.74 -0.88 112.91 114.16 2b6e h THR 64 Ca 0.11 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.19 2b6e h THR 64 Cb 0.49 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2b6e h THR 64 CO 0.03 0.00 -0.34 -0.29 0.37 0.00 0.00 175.52 175.29 2b6e h ILE 65 N -1.18 1.28 -0.29 3.11 6.09 -1.39 -1.36 117.51 123.77 2b6e h ILE 65 Ca -0.12 -1.39 -0.14 0.00 -1.37 0.00 0.00 64.86 61.84 2b6e h ILE 65 Cb 0.91 1.53 -0.00 0.00 0.47 0.00 0.00 36.82 39.73 2b6e h ILE 65 CO 0.19 0.43 -0.37 1.23 -3.07 0.00 0.00 178.15 176.56 2b6e h GLY 66 N 1.10 0.83 1.07 8.18 0.00 -1.33 -0.30 103.07 112.62 2b6e h GLY 66 Ca 0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 47.33 46.36 2b6e h GLY 66 CO 0.06 0.81 -0.14 1.76 0.00 0.00 0.00 176.54 179.02 2b6e h SER 67 N 0.51 0.97 -0.06 0.19 0.02 -1.05 -0.38 113.55 113.74 2b6e h SER 67 Ca 0.04 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2b6e h SER 67 Cb 0.96 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 2b6e h SER 67 CO 0.09 1.11 0.03 0.25 -1.14 0.00 0.00 176.83 177.18 2b6e h LEU 68 N 0.81 0.08 -0.42 5.07 5.85 -1.21 -1.21 115.31 124.28 2b6e h LEU 68 Ca 0.12 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2b6e h LEU 68 Cb 0.70 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 2b6e h LEU 68 CO 0.05 0.13 0.07 0.00 -0.34 0.00 0.00 178.44 178.35 2b6e h ALA 69 N 0.95 0.45 -0.40 1.25 0.00 -0.89 -1.94 119.26 118.67 2b6e h ALA 69 Ca 0.02 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2b6e h ALA 69 Cb 0.07 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2b6e h ALA 69 CO -0.00 -0.33 0.12 0.78 0.00 0.00 0.00 179.25 179.82 2b6e h GLY 70 N 0.20 0.50 1.91 0.00 0.00 -0.69 -1.98 103.07 103.01 2b6e h GLY 70 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2b6e h GLY 70 CO -0.28 0.00 -0.03 1.48 0.00 0.00 0.00 176.54 177.72 2b6e h SER 71 N 0.27 0.11 0.78 0.19 4.64 -0.63 -1.34 113.55 117.57 2b6e h SER 71 Ca 0.19 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2b6e h SER 71 Cb 0.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2b6e h SER 71 CO -0.21 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.09 2b6e n LEU 72 N -4.43 0.11 -1.81 5.97 4.77 -0.76 -2.71 117.00 118.14 2b6e n LEU 72 Ca -0.02 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 2b6e n LEU 72 Cb 0.15 -0.49 0.39 0.00 -2.33 0.00 0.00 43.42 41.14 2b6e n LEU 72 CO 0.35 -0.17 0.86 0.00 -1.33 0.00 0.00 177.39 177.10 2b6e s LEU 74 N -2.48 2.36 0.71 0.00 1.43 -1.10 -4.67 118.68 114.92 2b6e s LEU 74 Ca 0.53 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2b6e s LEU 74 Cb 0.39 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.91 2b6e s LEU 74 CO 0.18 -0.03 1.06 -1.61 0.23 0.00 0.00 176.35 176.18 2b6e s GLU 75 N -2.29 2.50 0.60 1.70 2.02 -1.26 -4.31 118.70 117.66 2b6e s GLU 75 Ca 0.08 0.12 -0.20 0.00 0.02 0.00 0.00 54.97 54.99 2b6e s GLU 75 Cb -0.08 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 2b6e s GLU 75 CO 0.04 -1.15 1.33 -1.21 0.02 0.00 0.00 175.26 174.29 2b6e s GLU 76 N -5.32 2.83 0.00 1.61 0.41 -1.26 -2.77 118.70 114.20 2b6e s GLU 76 Ca 0.59 2.17 0.00 0.00 -0.41 0.00 0.00 54.97 57.31 2b6e s GLU 76 Cb -0.11 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 2b6e s GLU 76 CO 0.48 -1.42 0.00 0.41 -0.49 0.00 0.00 175.26 174.25 2b6e n GLY 77 N 0.82 0.41 2.99 -1.39 0.00 -1.26 -5.05 105.19 101.71 2b6e n GLY 77 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2b6e n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b6e s LYS 78 N -0.92 0.34 0.33 1.61 1.02 -1.12 -0.48 119.74 120.53 2b6e s LYS 78 Ca 0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 2b6e s LYS 78 Cb 0.00 -0.07 -0.00 0.00 -0.52 0.00 0.00 37.83 37.24 2b6e s LYS 78 CO 0.00 0.00 0.43 -0.08 -0.92 0.00 0.00 175.35 174.78 2b6e s THR 79 N -1.11 0.00 0.14 2.17 -1.32 -0.85 -4.75 115.64 109.91 2b6e s THR 79 Ca -0.10 -1.67 0.10 0.00 -1.21 0.00 0.00 61.69 58.80 2b6e s THR 79 Cb -0.08 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.28 2b6e s THR 79 CO -0.00 0.00 -0.19 0.68 -2.21 0.00 0.00 174.62 172.89 2b6e s VAL 80 N -3.21 2.74 -0.07 5.08 -7.23 -1.26 -1.00 120.40 115.45 2b6e s VAL 80 Ca 0.32 -1.62 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2b6e s VAL 80 Cb 0.00 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2b6e s VAL 80 CO 0.21 0.05 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.21 2b6e s VAL 81 N -1.26 1.32 -0.11 1.32 1.01 -0.43 -4.95 120.40 117.31 2b6e s VAL 81 Ca 0.18 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 2b6e s VAL 81 Cb -0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2b6e s VAL 81 CO 0.10 0.39 1.44 -0.83 0.00 0.00 0.00 175.10 176.21 2b6e s GLY 82 N 0.48 1.60 -0.19 4.51 0.00 -1.26 -0.85 107.32 111.61 2b6e s GLY 82 Ca -0.13 0.68 -0.18 0.00 0.00 0.00 0.00 44.72 45.10 2b6e s GLY 82 CO 0.04 2.74 0.09 1.04 0.00 0.00 0.00 173.10 177.01 2b6e n LEU 83 N 6.81 1.84 -3.68 0.66 4.32 0.08 -4.93 117.00 122.10 2b6e n LEU 83 Ca 0.15 0.49 -0.09 0.00 -0.02 0.00 0.00 56.01 56.54 2b6e n LEU 83 Cb 0.44 -0.94 -0.02 0.00 -1.62 0.00 0.00 43.42 41.28 2b6e n LEU 83 CO 0.59 0.05 0.40 1.51 -1.22 0.00 0.00 177.39 178.72 2b6e s ASP 84 N -6.52 -0.37 -0.06 -1.43 1.47 -1.13 -5.02 116.67 103.61 2b6e s ASP 84 Ca -0.25 -0.37 -0.22 0.00 1.18 0.00 0.00 52.55 52.90 2b6e s ASP 84 Cb 0.05 0.65 0.05 0.00 -0.34 0.00 0.00 42.92 43.33 2b6e s ASP 84 CO 0.48 -1.15 0.50 -0.51 0.68 0.00 0.00 175.17 175.17 2b6e s ILE 85 N -3.85 0.02 0.07 2.11 2.07 -1.26 -1.35 121.20 119.02 2b6e s ILE 85 Ca 0.07 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 2b6e s ILE 85 Cb -0.03 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 2b6e s ILE 85 CO -0.02 -0.11 -0.05 0.54 -1.91 0.00 0.00 174.94 173.39 2b6e s ASN 86 N -1.02 0.79 -0.09 4.50 2.20 -0.74 -5.00 114.94 115.58 2b6e s ASN 86 Ca -0.10 -1.00 -0.29 0.00 -0.94 0.00 0.00 52.86 50.53 2b6e s ASN 86 Cb -0.03 0.15 0.07 0.00 -2.00 0.00 0.00 41.25 39.44 2b6e s ASN 86 CO 0.06 -0.54 0.67 0.00 -2.94 0.00 0.00 177.10 174.35 2b6e s ALA 87 N -3.78 -1.71 -0.13 3.54 0.00 -1.26 -1.86 121.76 116.56 2b6e s ALA 87 Ca 0.09 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.48 2b6e s ALA 87 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2b6e s ALA 87 CO -0.08 -0.36 -0.17 -0.80 0.00 0.00 0.00 175.76 174.36 2b6e s ASN 88 N -0.86 3.63 -0.25 0.00 -0.87 -0.06 -4.98 114.94 111.55 2b6e s ASN 88 Ca -0.09 -0.44 -0.18 0.00 -1.57 0.00 0.00 52.86 50.58 2b6e s ASN 88 Cb -0.01 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.25 39.65 2b6e s ASN 88 CO 0.08 0.14 0.52 -1.00 -2.57 0.00 0.00 177.10 174.27 2b6e s HIS 89 N 0.50 3.28 -0.14 2.20 3.76 -1.26 -2.06 115.29 121.58 2b6e s HIS 89 Ca -0.11 0.67 0.17 0.00 -0.15 0.00 0.00 55.06 55.64 2b6e s HIS 89 Cb -0.16 -2.72 -0.24 0.00 1.11 0.00 0.00 32.58 30.56 2b6e s HIS 89 CO 0.05 -0.26 0.31 1.28 -0.85 0.00 0.00 174.74 175.27 2b6e n LEU 90 N 5.44 0.28 -3.52 0.89 4.77 0.35 -4.99 117.00 120.22 2b6e n LEU 90 Ca -0.04 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 2b6e n LEU 90 Cb 0.50 0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.88 2b6e n LEU 90 CO 0.41 0.40 0.57 0.00 -1.33 0.00 0.00 177.39 177.43 2b6e s ARG 91 N -2.65 0.93 0.55 3.23 1.70 -1.22 -5.02 118.95 116.47 2b6e s ARG 91 Ca -0.08 0.01 -0.18 0.00 -0.47 0.00 0.00 55.73 55.01 2b6e s ARG 91 Cb 0.07 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.83 2b6e s ARG 91 CO 0.83 -0.33 1.08 -1.25 -1.08 0.00 0.00 175.30 174.55 2b6e s PRO 92 N -1.93 3.42 -0.05 3.89 0.04 -1.26 -4.84 135.00 134.27 2b6e s PRO 92 Ca -0.04 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2b6e s PRO 92 Cb -0.00 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2b6e s PRO 92 CO 0.01 -0.75 -0.07 0.08 0.04 0.00 0.00 177.00 176.30 2b6e s VAL 93 N -2.09 0.73 0.00 -0.36 1.01 -1.26 -5.00 120.40 113.44 2b6e s VAL 93 Ca 0.68 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2b6e s VAL 93 Cb -0.19 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2b6e s VAL 93 CO 0.29 0.27 0.49 -2.11 0.00 0.00 0.00 175.10 174.03 2b6e n ARG 94 N 3.94 -0.19 -3.83 2.72 0.00 -1.26 0.64 116.66 118.67 2b6e n ARG 94 Ca -0.25 -0.56 -0.06 0.00 -0.00 0.00 0.00 57.85 56.98 2b6e n ARG 94 Cb 0.51 -0.89 -0.02 0.00 -0.00 0.00 0.00 32.46 32.06 2b6e n ARG 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2b6e s SER 95 N -0.15 -0.24 0.28 2.89 1.04 -1.26 -4.92 113.70 111.34 2b6e s SER 95 Ca 0.00 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2b6e s SER 95 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2b6e s SER 95 CO 0.00 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2b6e n GLY 96 N -0.46 -0.01 3.10 7.32 0.00 -1.26 -4.78 105.19 109.09 2b6e n GLY 96 Ca -0.05 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 2b6e n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b6e s LYS 97 N 0.00 0.63 0.19 1.61 -2.85 -1.26 -0.74 119.74 117.31 2b6e s LYS 97 Ca 0.00 -0.85 0.04 0.00 -1.00 0.00 0.00 55.97 54.16 2b6e s LYS 97 Cb 0.00 -0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 35.30 2b6e s LYS 97 CO 0.00 0.08 0.27 0.14 0.10 0.00 0.00 175.35 175.94 2b6e s VAL 98 N -1.50 5.06 -0.12 1.79 -7.23 -1.26 -3.48 120.40 113.67 2b6e s VAL 98 Ca -0.06 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 2b6e s VAL 98 Cb -0.09 -3.65 0.02 0.00 0.56 0.00 0.00 36.38 33.21 2b6e s VAL 98 CO 0.01 -0.18 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.58 2b6e s THR 99 N -1.85 1.44 -0.24 5.32 2.01 0.47 -4.33 115.64 118.47 2b6e s THR 99 Ca 0.34 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 2b6e s THR 99 Cb -0.10 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2b6e s THR 99 CO 0.27 0.43 0.07 0.00 -0.69 0.00 0.00 174.62 174.71 2b6e s ALA 100 N 1.22 3.22 -0.20 7.40 0.00 0.03 -0.83 121.76 132.60 2b6e s ALA 100 Ca -0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 2b6e s ALA 100 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 2b6e s ALA 100 CO -0.05 -0.35 0.00 0.50 0.00 0.00 0.00 175.76 175.87 2b6e s ARG 101 N 1.36 3.61 -0.21 0.00 3.52 -0.14 -1.71 118.95 125.37 2b6e s ARG 101 Ca 0.05 -0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 55.02 2b6e s ARG 101 Cb -0.15 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 2b6e s ARG 101 CO 0.04 -0.01 0.16 0.00 -0.81 0.00 0.00 175.30 174.67 2b6e s ALA 102 N 1.06 3.65 0.03 6.12 0.00 -0.18 -2.04 121.76 130.41 2b6e s ALA 102 Ca 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2b6e s ALA 102 Cb -0.14 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2b6e s ALA 102 CO 0.02 0.00 -0.12 0.95 0.00 0.00 0.00 175.76 176.61 2b6e s THR 103 N 0.67 0.93 0.30 0.00 -4.23 0.11 -2.65 115.64 110.77 2b6e s THR 103 Ca 0.08 -0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 59.40 2b6e s THR 103 Cb -0.12 -0.86 -0.09 0.00 1.34 0.00 0.00 72.50 72.76 2b6e s THR 103 CO 0.01 -0.05 1.02 -2.16 -0.54 0.00 0.00 174.62 172.91 2b6e s PRO 104 N -1.09 4.57 -0.23 3.99 0.04 -1.26 -0.63 135.00 140.38 2b6e s PRO 104 Ca -0.00 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 2b6e s PRO 104 Cb -0.08 -3.00 -0.13 0.00 0.04 0.00 0.00 34.50 31.34 2b6e s PRO 104 CO 0.01 0.22 -0.25 -0.89 0.04 0.00 0.00 177.00 176.12 2b6e n ILE 105 N 0.87 1.30 -3.64 0.56 5.41 0.09 -4.82 119.36 119.12 2b6e n ILE 105 Ca 0.01 -0.42 -0.06 0.00 1.00 0.00 0.00 62.75 63.28 2b6e n ILE 105 Cb 0.47 -1.54 -0.06 0.00 -0.71 0.00 0.00 39.64 37.79 2b6e n ILE 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2b6e s ASN 106 N -6.64 -0.95 -0.42 4.38 3.84 -0.96 -4.99 114.94 109.19 2b6e s ASN 106 Ca -0.32 1.48 0.00 0.00 0.21 0.00 0.00 52.86 54.23 2b6e s ASN 106 Cb 0.10 1.53 0.12 0.00 -0.55 0.00 0.00 41.25 42.45 2b6e s ASN 106 CO 0.47 -0.23 0.19 -0.76 -2.79 0.00 0.00 177.10 173.98 2b6e s LEU 107 N 1.84 4.96 0.00 3.21 1.43 -1.26 -0.17 118.68 128.69 2b6e s LEU 107 Ca -0.09 -2.30 0.09 0.00 -1.03 0.00 0.00 54.13 50.80 2b6e s LEU 107 Cb -0.06 -1.74 0.09 0.00 0.03 0.00 0.00 46.19 44.51 2b6e s LEU 107 CO -0.19 -0.43 0.75 0.61 0.23 0.00 0.00 176.35 177.32 2b6e n GLY 108 N 4.15 1.99 0.22 -3.19 0.00 0.11 -5.01 105.19 103.46 2b6e n GLY 108 Ca 0.02 -2.22 -0.03 0.00 0.00 0.00 0.00 46.02 43.79 2b6e n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b6e h ARG 109 N 0.00 0.36 0.00 1.61 3.08 -1.99 -3.35 114.38 114.09 2b6e h ARG 109 Ca -0.26 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 2b6e h ARG 109 Cb 1.19 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 2b6e h ARG 109 CO 0.37 0.64 -1.27 0.09 -1.07 0.00 0.00 179.97 178.74 2b6e n ASN 110 N -4.09 3.69 -3.92 7.04 3.02 -1.26 -4.74 115.26 115.00 2b6e n ASN 110 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.40 2b6e n ASN 110 Cb 0.43 1.19 -0.14 0.00 -0.61 0.00 0.00 39.78 40.66 2b6e n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2b6e s ILE 111 N -2.37 0.22 -0.01 2.41 -1.09 -1.26 -0.80 121.20 118.31 2b6e s ILE 111 Ca -0.02 -0.14 0.07 0.00 -2.23 0.00 0.00 60.65 58.33 2b6e s ILE 111 Cb 0.03 -0.20 -0.02 0.00 -1.58 0.00 0.00 42.46 40.70 2b6e s ILE 111 CO 0.24 0.05 -0.24 -1.10 -1.23 0.00 0.00 174.94 172.66 2b6e s GLN 112 N -0.10 1.91 -0.14 2.79 -0.21 0.30 -0.71 119.66 123.48 2b6e s GLN 112 Ca 0.01 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.53 2b6e s GLN 112 Cb -0.01 -1.86 0.02 0.00 1.00 0.00 0.00 33.01 32.15 2b6e s GLN 112 CO -0.00 0.51 -0.17 0.08 -2.12 0.00 0.00 175.29 173.59 2b6e s VAL 113 N -0.58 1.73 0.05 1.09 1.01 0.76 -0.26 120.40 124.20 2b6e s VAL 113 Ca 0.09 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2b6e s VAL 113 Cb -0.09 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2b6e s VAL 113 CO -0.01 0.49 -0.20 0.26 0.00 0.00 0.00 175.10 175.64 2b6e s TRP 114 N 1.23 2.51 -0.17 5.22 0.52 0.30 -0.73 118.94 127.81 2b6e s TRP 114 Ca 0.00 -0.29 -0.07 0.00 0.02 0.00 0.00 56.10 55.77 2b6e s TRP 114 Cb -0.14 -1.44 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2b6e s TRP 114 CO -0.08 0.24 0.06 -1.14 0.02 0.00 0.00 176.95 176.06 2b6e s GLN 115 N -1.47 3.86 -0.18 4.98 0.74 0.19 -0.67 119.66 127.12 2b6e s GLN 115 Ca 0.14 -0.34 -0.01 0.00 0.05 0.00 0.00 55.36 55.21 2b6e s GLN 115 Cb -0.10 -3.18 0.05 0.00 1.10 0.00 0.00 33.01 30.88 2b6e s GLN 115 CO 0.05 0.34 -0.03 0.42 -0.55 0.00 0.00 175.29 175.52 2b6e s ILE 116 N 0.17 1.00 -0.13 -2.34 1.09 0.20 -0.71 121.20 120.48 2b6e s ILE 116 Ca 0.04 -0.66 -0.02 0.00 -1.10 0.00 0.00 60.65 58.91 2b6e s ILE 116 Cb -0.12 -1.26 -0.03 0.00 -1.06 0.00 0.00 42.46 39.99 2b6e s ILE 116 CO 0.00 0.02 -0.05 -1.81 -0.10 0.00 0.00 174.94 173.01 2b6e s ASP 117 N 1.67 4.69 -0.14 3.58 1.11 -0.86 -0.69 116.67 126.02 2b6e s ASP 117 Ca -0.00 -0.11 -0.01 0.00 0.18 0.00 0.00 52.55 52.60 2b6e s ASP 117 Cb -0.16 -1.61 -0.02 0.00 1.07 0.00 0.00 42.92 42.21 2b6e s ASP 117 CO -0.07 0.22 -0.10 -0.63 1.18 0.00 0.00 175.17 175.77 2b6e s ILE 118 N 0.03 3.32 0.17 0.77 1.01 0.06 -0.97 121.20 125.59 2b6e s ILE 118 Ca -0.00 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.17 2b6e s ILE 118 Cb -0.14 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2b6e s ILE 118 CO 0.03 0.51 -0.19 -0.13 0.00 0.00 0.00 174.94 175.16 2b6e s ARG 119 N 0.39 1.33 0.85 2.79 0.52 -0.01 -0.75 118.95 124.07 2b6e s ARG 119 Ca -0.08 -1.43 -0.10 0.00 -0.52 0.00 0.00 55.73 53.59 2b6e s ARG 119 Cb -0.15 -1.44 0.16 0.00 0.52 0.00 0.00 34.95 34.03 2b6e s ARG 119 CO 0.05 0.30 1.18 0.95 0.02 0.00 0.00 175.30 177.80 2b6e s THR 120 N -1.96 2.07 -0.10 0.02 -4.23 -0.18 -0.40 115.64 110.86 2b6e s THR 120 Ca 0.17 -0.22 0.29 0.00 -1.18 0.00 0.00 61.69 60.74 2b6e s THR 120 Cb -0.06 -2.85 0.30 0.00 1.34 0.00 0.00 72.50 71.23 2b6e s THR 120 CO 0.07 0.00 1.86 1.05 -0.54 0.00 0.00 174.62 177.07 2b6e h GLU 121 N -1.16 0.00 -0.27 3.99 4.11 -1.89 0.13 114.58 119.49 2b6e h GLU 121 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2b6e h GLU 121 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2b6e h GLU 121 CO 0.42 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.89 2b6e n GLU 122 N -2.56 1.77 -1.91 1.06 -0.58 -1.26 -4.90 120.64 112.26 2b6e n GLU 122 Ca -0.00 -1.19 -0.17 0.00 -0.42 0.00 0.00 57.16 55.38 2b6e n GLU 122 Cb 0.16 -1.33 -0.04 0.00 -0.57 0.00 0.00 31.44 29.67 2b6e n GLU 122 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2b6e n ASN 123 N 0.43 -4.98 -4.78 1.62 4.13 0.45 -4.99 115.26 107.14 2b6e n ASN 123 Ca 0.14 0.19 -0.37 0.00 1.68 0.00 0.00 54.58 56.22 2b6e n ASN 123 Cb 0.31 -4.02 -0.07 0.00 -1.54 0.00 0.00 39.78 34.47 2b6e n ASN 123 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2b6e s LYS 124 N -4.15 4.04 -0.07 3.52 1.02 -1.26 -4.79 119.74 118.06 2b6e s LYS 124 Ca 0.00 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 2b6e s LYS 124 Cb 0.00 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2b6e s LYS 124 CO 0.00 0.44 1.58 -1.17 -0.92 0.00 0.00 175.35 175.29 2b6e s LEU 125 N -0.18 4.30 -0.01 3.17 2.96 -1.26 -1.01 118.68 126.65 2b6e s LEU 125 Ca 0.19 2.14 0.09 0.00 -0.22 0.00 0.00 54.13 56.33 2b6e s LEU 125 Cb -0.14 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.89 2b6e s LEU 125 CO 0.07 -0.90 0.26 0.00 -1.32 0.00 0.00 176.35 174.46 2b6e s VAL 128 N 0.54 1.57 0.03 0.00 -7.23 -0.87 -0.76 120.40 113.68 2b6e s VAL 128 Ca -0.01 -0.81 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 2b6e s VAL 128 Cb -0.05 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 2b6e s VAL 128 CO -0.02 0.45 0.10 -0.55 -0.31 0.00 0.00 175.10 174.77 2b6e s SER 129 N -0.14 0.13 -0.04 4.85 0.15 0.13 -0.88 113.70 117.91 2b6e s SER 129 Ca -0.01 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.23 2b6e s SER 129 Cb -0.11 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2b6e s SER 129 CO 0.02 -0.46 -0.11 -0.60 1.20 0.00 0.00 173.24 173.28 2b6e s ARG 130 N -2.22 1.25 -0.05 5.44 3.52 -0.78 -0.63 118.95 125.48 2b6e s ARG 130 Ca -0.08 -0.38 0.06 0.00 -0.13 0.00 0.00 55.73 55.19 2b6e s ARG 130 Cb -0.03 -1.12 -0.01 0.00 -1.56 0.00 0.00 34.95 32.22 2b6e s ARG 130 CO -0.03 0.13 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.19 2b6e s LEU 131 N 0.25 2.03 -0.21 -0.88 2.96 0.16 -1.79 118.68 121.20 2b6e s LEU 131 Ca -0.05 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 2b6e s LEU 131 Cb -0.11 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 2b6e s LEU 131 CO 0.01 0.23 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.33 2b6e s THR 132 N -0.13 3.42 0.01 3.68 2.01 -0.46 -0.54 115.64 123.64 2b6e s THR 132 Ca -0.03 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.56 2b6e s THR 132 Cb -0.13 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 2b6e s THR 132 CO 0.03 0.44 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.43 2b6e s LEU 133 N 1.26 2.45 -0.13 4.42 1.43 0.64 -0.74 118.68 128.01 2b6e s LEU 133 Ca 0.03 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 2b6e s LEU 133 Cb -0.14 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2b6e s LEU 133 CO -0.02 0.29 0.28 -0.55 0.23 0.00 0.00 176.35 176.58 2b6e s SER 134 N -1.11 6.49 -0.35 2.29 0.15 -0.03 -0.54 113.70 120.59 2b6e s SER 134 Ca 0.13 0.57 -0.17 0.00 0.70 0.00 0.00 55.95 57.18 2b6e s SER 134 Cb -0.10 -2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 2b6e s SER 134 CO 0.03 0.20 0.46 -0.69 1.20 0.00 0.00 173.24 174.44 2b6e s VAL 135 N -0.09 5.07 -0.04 4.45 1.01 0.02 -1.32 120.40 129.50 2b6e s VAL 135 Ca 0.17 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2b6e s VAL 135 Cb -0.13 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2b6e s VAL 135 CO 0.05 -0.17 -0.07 0.27 0.00 0.00 0.00 175.10 175.18 2b6e s ILE 136 N 2.27 3.65 -0.29 2.22 -4.36 -0.17 -4.76 121.20 119.75 2b6e s ILE 136 Ca 0.16 -0.60 -0.21 0.00 -0.26 0.00 0.00 60.65 59.75 2b6e s ILE 136 Cb -0.16 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.02 2b6e s ILE 136 CO 0.13 0.52 0.64 0.21 0.24 0.00 0.00 174.94 176.68 2b6e s ASN 137 N -1.03 6.53 0.00 4.36 3.84 -1.26 -2.01 114.94 125.37 2b6e s ASN 137 Ca 0.14 0.51 0.04 0.00 0.21 0.00 0.00 52.86 53.76 2b6e s ASN 137 Cb -0.11 -2.34 0.25 0.00 -0.55 0.00 0.00 41.25 38.50 2b6e s ASN 137 CO 0.04 -0.46 0.62 0.18 -2.79 0.00 0.00 177.10 174.68 2b6e n LEU 138 N 5.86 0.00 0.00 3.21 4.32 0.37 -5.00 117.00 125.77 2b6e n LEU 138 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 2b6e n LEU 138 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2b6e n LEU 138 CO 0.45 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.62