#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 2.85 -0.21 1.96 0.23 -1.26 -4.80 118.94 117.70 2b6e s TRP 3 Ca 0.00 0.95 0.13 0.00 -2.03 0.00 0.00 56.10 55.16 2b6e s TRP 3 Cb 0.00 -3.95 -0.23 0.00 0.03 0.00 0.00 33.47 29.32 2b6e s TRP 3 CO 0.00 -3.09 0.01 1.63 0.96 0.00 0.00 176.95 176.46 2b6e n LYS 4 N 1.95 0.68 -3.15 4.98 4.76 -0.11 -4.98 118.16 122.29 2b6e n LYS 4 Ca 0.06 0.04 -0.25 0.00 -2.87 0.00 0.00 58.31 55.30 2b6e n LYS 4 Cb 0.39 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 2b6e n LYS 4 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2b6e s LYS 5 N -2.50 3.44 -0.03 1.97 1.02 -1.05 -4.93 119.74 117.66 2b6e s LYS 5 Ca -0.17 -0.23 -0.10 0.00 0.02 0.00 0.00 55.97 55.49 2b6e s LYS 5 Cb 0.07 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 2b6e s LYS 5 CO 0.77 0.01 0.29 0.95 -0.92 0.00 0.00 175.35 176.45 2b6e s THR 6 N -2.45 5.24 0.21 2.17 -4.23 -1.26 -5.02 115.64 110.30 2b6e s THR 6 Ca 0.43 0.48 -0.23 0.00 -1.18 0.00 0.00 61.69 61.19 2b6e s THR 6 Cb -0.10 -3.58 0.05 0.00 1.34 0.00 0.00 72.50 70.22 2b6e s THR 6 CO 0.38 0.53 0.88 0.72 -0.54 0.00 0.00 174.62 176.60 2b6e s PHE 7 N -1.13 -0.12 -0.02 3.99 -0.12 -1.26 -5.14 117.98 114.19 2b6e s PHE 7 Ca 0.22 -0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 56.80 2b6e s PHE 7 Cb -0.14 0.68 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 2b6e s PHE 7 CO 0.11 -1.01 0.09 0.95 -0.05 0.00 0.00 175.22 175.31 2b6e s THR 8 N -3.35 0.05 0.33 -4.49 -4.23 -1.26 -5.04 115.64 97.64 2b6e s THR 8 Ca 0.13 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 2b6e s THR 8 Cb -0.03 -0.25 0.31 0.00 1.34 0.00 0.00 72.50 73.87 2b6e s THR 8 CO 0.05 -0.21 1.83 -0.07 -0.54 0.00 0.00 174.62 175.68 2b6e h LEU 9 N 5.23 0.74 -0.11 4.79 3.38 -1.98 -0.29 115.31 127.08 2b6e h LEU 9 Ca -0.28 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2b6e h LEU 9 Cb 1.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2b6e h LEU 9 CO 0.43 0.34 0.07 -0.08 0.09 0.00 0.00 178.44 179.29 2b6e h GLU 10 N 0.77 0.14 -0.29 1.13 4.81 -1.96 -2.46 114.58 116.72 2b6e h GLU 10 Ca 0.50 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.60 2b6e h GLU 10 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2b6e h GLU 10 CO -0.26 0.11 -0.32 -0.91 -0.73 0.00 0.00 179.01 176.90 2b6e h ASN 11 N 0.13 0.63 -0.43 1.04 -0.26 -1.69 -2.45 115.58 112.56 2b6e h ASN 11 Ca 0.04 -0.25 0.01 0.00 -0.56 0.00 0.00 56.30 55.54 2b6e h ASN 11 Cb 0.00 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.06 2b6e h ASN 11 CO -0.01 0.91 0.26 -0.07 -1.06 0.00 0.00 177.43 177.47 2b6e h LEU 12 N 0.52 0.44 -1.13 1.61 3.38 -0.94 0.13 115.31 119.31 2b6e h LEU 12 Ca 0.06 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2b6e h LEU 12 Cb 0.81 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2b6e h LEU 12 CO 0.07 0.31 0.23 0.78 0.09 0.00 0.00 178.44 179.92 2b6e h ASN 13 N 0.53 0.77 -0.46 -0.43 2.35 -1.34 -0.23 115.58 116.77 2b6e h ASN 13 Ca 0.17 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2b6e h ASN 13 Cb -0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2b6e h ASN 13 CO -0.06 0.69 0.28 -0.61 -1.65 0.00 0.00 177.43 176.08 2b6e h GLN 14 N 0.83 0.63 -0.90 0.81 5.75 -0.78 -1.12 115.11 120.33 2b6e h GLN 14 Ca 0.20 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2b6e h GLN 14 Cb 0.17 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 2b6e h GLN 14 CO -0.02 0.47 0.58 1.25 -2.65 0.00 0.00 178.83 178.46 2b6e h LEU 15 N 0.61 1.04 -0.20 -2.39 5.85 0.12 -2.69 115.31 117.65 2b6e h LEU 15 Ca 0.17 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2b6e h LEU 15 Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2b6e h LEU 15 CO -0.03 0.77 -0.05 0.00 -0.34 0.00 0.00 178.44 178.79 2b6e s SER 17 N -2.30 4.63 -1.43 0.00 1.04 -0.47 -3.45 113.70 111.71 2b6e s SER 17 Ca 0.35 1.92 -0.08 0.00 0.48 0.00 0.00 55.95 58.62 2b6e s SER 17 Cb 0.21 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.84 2b6e s SER 17 CO 0.43 -1.95 0.89 0.59 0.98 0.00 0.00 173.24 174.17 2b6e n ASN 18 N -3.15 -3.45 -1.89 7.02 4.13 -1.26 -4.92 115.26 111.74 2b6e n ASN 18 Ca 0.10 -0.78 -0.07 0.00 1.68 0.00 0.00 54.58 55.51 2b6e n ASN 18 Cb 0.52 -4.04 -0.02 0.00 -1.54 0.00 0.00 39.78 34.70 2b6e n ASN 18 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2b6e n SER 19 N -2.94 -0.51 0.25 6.41 3.41 -1.25 -5.02 113.62 113.97 2b6e n SER 19 Ca -0.10 -1.86 0.07 0.00 -0.26 0.00 0.00 58.87 56.73 2b6e n SER 19 Cb 0.59 1.00 0.61 0.00 -0.26 0.00 0.00 64.21 66.15 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 1.63 1.91 0.91 7.33 0.00 -1.93 -1.17 119.26 127.94 2b6e h ALA 20 Ca -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2b6e h ALA 20 Cb 0.52 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2b6e h ALA 20 CO 0.16 0.06 -0.44 0.28 0.00 0.00 0.00 179.25 179.31 2b6e h VAL 21 N 0.00 0.06 0.00 0.00 2.07 -1.94 -2.10 116.25 114.33 2b6e h VAL 21 Ca -0.00 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2b6e h VAL 21 Cb 0.09 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2b6e h VAL 21 CO 0.01 0.00 -0.22 0.77 0.02 0.00 0.00 177.57 178.15 2b6e h SER 22 N -1.28 0.00 0.19 0.57 4.64 -1.55 -1.53 113.55 114.58 2b6e h SER 22 Ca -0.12 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2b6e h SER 22 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2b6e h SER 22 CO 0.21 0.22 -0.19 -0.74 -0.87 0.00 0.00 176.83 175.45 2b6e h HIS 23 N 0.00 0.02 -0.60 4.77 2.76 -0.99 -1.68 115.15 119.43 2b6e h HIS 23 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2b6e h HIS 23 Cb 0.53 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2b6e h HIS 23 CO 0.00 0.21 0.00 1.28 -1.30 0.00 0.00 177.93 178.12 2b6e n LEU 24 N -4.30 5.38 -1.35 0.26 4.77 -0.81 -4.92 117.00 116.03 2b6e n LEU 24 Ca -0.02 -2.77 -0.18 0.00 -0.03 0.00 0.00 56.01 53.01 2b6e n LEU 24 Cb 0.26 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2b6e n LEU 24 CO 0.37 0.70 -0.17 0.61 -1.33 0.00 0.00 177.39 177.57 2b6e n GLY 25 N 0.77 1.72 3.73 -0.72 0.00 -0.63 -4.55 105.19 105.51 2b6e n GLY 25 Ca 0.27 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.60 3.71 -0.06 -0.61 1.01 -0.63 -4.35 121.20 117.67 2b6e s ILE 26 Ca 0.00 1.36 0.01 0.00 0.00 0.00 0.00 60.65 62.03 2b6e s ILE 26 Cb 0.00 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.62 2b6e s ILE 26 CO 0.00 0.18 -0.08 -0.70 0.00 0.00 0.00 174.94 174.34 2b6e s GLU 27 N 0.19 1.24 -0.57 2.79 2.12 -0.31 -4.45 118.70 119.72 2b6e s GLU 27 Ca 0.55 -0.24 -0.27 0.00 0.36 0.00 0.00 54.97 55.36 2b6e s GLU 27 Cb -0.32 -1.13 -0.01 0.00 0.26 0.00 0.00 34.13 32.93 2b6e s GLU 27 CO 0.34 -0.05 1.70 0.42 -0.54 0.00 0.00 175.26 177.13 2b6e s ILE 28 N 0.88 3.50 -0.03 -3.70 -1.09 -1.26 -0.37 121.20 119.14 2b6e s ILE 28 Ca -0.11 0.38 -0.18 0.00 -2.23 0.00 0.00 60.65 58.50 2b6e s ILE 28 Cb -0.15 -4.09 -0.32 0.00 -1.58 0.00 0.00 42.46 36.32 2b6e s ILE 28 CO 0.01 -0.96 0.87 0.77 -1.23 0.00 0.00 174.94 174.40 2b6e h SER 29 N 13.34 0.60 -5.31 3.58 4.64 -1.71 -3.47 113.55 125.22 2b6e h SER 29 Ca -0.27 -0.93 0.15 0.00 -0.47 0.00 0.00 61.79 60.27 2b6e h SER 29 Cb 1.14 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.97 2b6e h SER 29 CO 1.18 1.56 0.48 0.00 -0.87 0.00 0.00 176.83 179.18 2b6e s ALA 30 N -2.50 -1.54 0.22 5.18 0.00 -1.18 -5.01 121.76 116.93 2b6e s ALA 30 Ca -0.13 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 2b6e s ALA 30 Cb 0.03 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.86 2b6e s ALA 30 CO 0.87 -1.05 0.59 -0.59 0.00 0.00 0.00 175.76 175.58 2b6e s PHE 31 N -2.95 -0.14 0.00 0.00 -0.71 -1.26 0.23 117.98 113.14 2b6e s PHE 31 Ca 0.15 -0.22 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 2b6e s PHE 31 Cb -0.02 0.49 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 2b6e s PHE 31 CO 0.04 -1.01 0.00 0.41 -1.34 0.00 0.00 175.22 173.32 2b6e n GLY 32 N -0.39 5.07 0.29 1.99 0.00 0.18 -4.97 105.19 107.37 2b6e n GLY 32 Ca -0.08 -1.55 0.02 0.00 0.00 0.00 0.00 46.02 44.41 2b6e n GLY 32 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2b6e h GLU 33 N 0.00 0.50 -0.19 1.61 4.81 -2.04 -3.33 114.58 115.94 2b6e h GLU 33 Ca 0.00 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.97 2b6e h GLU 33 Cb 0.00 -0.09 -0.32 0.00 0.63 0.00 0.00 28.75 28.97 2b6e h GLU 33 CO 0.00 0.42 -0.84 -0.40 -0.73 0.00 0.00 179.01 177.47 2b6e n ASP 34 N -4.39 0.53 -3.51 1.04 5.75 -1.26 -1.48 116.55 113.24 2b6e n ASP 34 Ca 0.02 -2.05 -0.16 0.00 -0.01 0.00 0.00 54.79 52.59 2b6e n ASP 34 Cb 0.15 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.63 -0.62 -0.05 2.11 1.48 -1.25 -4.46 118.94 114.52 2b6e s TRP 35 Ca 0.22 0.94 -0.06 0.00 -1.06 0.00 0.00 56.10 56.14 2b6e s TRP 35 Cb 0.33 0.44 0.01 0.00 -1.16 0.00 0.00 33.47 33.09 2b6e s TRP 35 CO -0.09 -0.64 0.16 -1.50 -4.06 0.00 0.00 176.95 170.83 2b6e s ILE 36 N -1.68 0.02 0.30 0.66 2.07 -1.10 0.48 121.20 121.95 2b6e s ILE 36 Ca -0.08 -0.16 0.09 0.00 -1.41 0.00 0.00 60.65 59.10 2b6e s ILE 36 Cb -0.00 -0.28 -0.06 0.00 0.13 0.00 0.00 42.46 42.25 2b6e s ILE 36 CO 0.05 -0.09 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.27 2b6e s GLU 37 N -0.24 1.69 -0.08 3.50 2.02 0.14 -1.38 118.70 124.35 2b6e s GLU 37 Ca -0.03 -1.84 -0.10 0.00 0.02 0.00 0.00 54.97 53.02 2b6e s GLU 37 Cb -0.03 -1.56 0.02 0.00 0.10 0.00 0.00 34.13 32.66 2b6e s GLU 37 CO 0.01 0.17 0.26 0.00 0.02 0.00 0.00 175.26 175.71 2b6e s ALA 38 N -2.70 -0.63 0.00 5.21 0.00 -0.73 -1.91 121.76 121.00 2b6e s ALA 38 Ca 0.30 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2b6e s ALA 38 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2b6e s ALA 38 CO 0.14 -0.15 0.00 0.25 0.00 0.00 0.00 175.76 176.01 2b6e n THR 39 N 2.60 0.00 -4.40 0.00 -2.24 0.50 -0.88 114.28 109.86 2b6e n THR 39 Ca -0.15 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 2b6e n THR 39 Cb 0.58 -0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.77 1.61 -0.68 -0.78 0.04 -1.26 -1.16 135.00 132.00 2b6e s PRO 41 Ca 0.00 -1.49 -0.08 0.00 0.04 0.00 0.00 61.00 59.48 2b6e s PRO 41 Cb 0.00 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 32.82 2b6e s PRO 41 CO 0.00 0.40 0.54 0.08 0.04 0.00 0.00 177.00 178.07 2b6e s VAL 42 N -1.69 4.44 0.00 -0.36 1.01 -0.22 -4.63 120.40 118.95 2b6e s VAL 42 Ca 0.22 -2.64 0.00 0.00 0.00 0.00 0.00 61.98 59.56 2b6e s VAL 42 Cb -0.08 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2b6e s VAL 42 CO 0.11 -0.92 0.00 -0.90 0.00 0.00 0.00 175.10 173.39 2b6e n ASP 43 N 3.84 0.00 0.25 3.32 5.68 -1.26 -4.51 116.55 123.87 2b6e n ASP 43 Ca 0.08 -0.51 0.11 0.00 -0.50 0.00 0.00 54.79 53.97 2b6e n ASP 43 Cb 0.41 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 40.96 2b6e n ASP 43 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2b6e h HIS 44 N 0.51 0.00 0.00 2.11 3.86 -1.98 0.15 115.15 119.80 2b6e h HIS 44 Ca 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2b6e h HIS 44 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2b6e h HIS 44 CO 0.00 0.00 -0.93 0.00 0.86 0.00 0.00 177.93 177.86 2b6e h ARG 45 N 0.00 0.00 -1.82 2.45 3.08 -1.95 -3.49 114.38 112.65 2b6e h ARG 45 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2b6e h ARG 45 Cb 0.67 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.31 2b6e h ARG 45 CO 0.00 0.40 -0.85 0.25 -1.07 0.00 0.00 179.97 178.70 2b6e n THR 46 N -3.06 1.98 -4.52 2.04 -2.24 0.54 -4.96 114.28 104.07 2b6e n THR 46 Ca -0.03 -4.85 -0.25 0.00 -2.27 0.00 0.00 64.05 56.65 2b6e n THR 46 Cb 0.78 -0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.26 1.75 0.00 -0.78 -0.21 0.77 -0.73 119.66 117.21 2b6e s GLN 48 Ca 0.44 -1.90 0.08 0.00 0.02 0.00 0.00 55.36 54.00 2b6e s GLN 48 Cb 0.35 -1.58 0.43 0.00 1.00 0.00 0.00 33.01 33.22 2b6e s GLN 48 CO -0.12 0.12 1.05 -0.35 -2.12 0.00 0.00 175.29 173.87 2b6e n PRO 49 N -0.74 0.17 0.06 2.91 -0.04 -1.26 -1.66 135.00 134.43 2b6e n PRO 49 Ca -0.05 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 2b6e n PRO 49 Cb 0.63 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.94 2b6e n PRO 49 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2b6e n PHE 50 N -1.18 0.52 -0.07 0.54 3.72 -1.26 -4.93 117.46 114.81 2b6e n PHE 50 Ca 0.05 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2b6e n PHE 50 Cb 0.05 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 2b6e n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b6e n GLY 51 N 1.38 0.96 3.33 1.37 0.00 -0.66 -5.10 105.19 106.47 2b6e n GLY 51 Ca 0.05 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 1.70 0.13 1.61 -7.23 -1.26 -4.63 120.40 108.72 2b6e s VAL 52 Ca 0.00 -2.04 -0.34 0.00 -1.81 0.00 0.00 61.98 57.79 2b6e s VAL 52 Cb 0.00 -1.90 -0.14 0.00 0.56 0.00 0.00 36.38 34.90 2b6e s VAL 52 CO 0.00 -0.48 1.61 -0.11 -0.31 0.00 0.00 175.10 175.81 2b6e n LEU 53 N -0.03 3.10 -4.66 1.32 7.94 0.23 -0.16 117.00 124.74 2b6e n LEU 53 Ca -0.11 1.07 -0.43 0.00 -1.11 0.00 0.00 56.01 55.44 2b6e n LEU 53 Cb 0.59 -1.41 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 2b6e n LEU 53 CO 0.32 -0.28 1.30 -2.28 -1.11 0.00 0.00 177.39 175.34 2b6e s HIS 54 N 1.30 2.21 0.37 1.96 5.65 0.09 -4.67 115.29 122.21 2b6e s HIS 54 Ca 0.81 0.44 0.07 0.00 0.25 0.00 0.00 55.06 56.63 2b6e s HIS 54 Cb -0.69 -3.82 0.80 0.00 -1.18 0.00 0.00 32.58 27.69 2b6e s HIS 54 CO 0.40 -3.20 1.96 0.78 -0.65 0.00 0.00 174.74 174.03 2b6e h GLY 55 N 10.29 0.90 1.05 1.59 0.00 -1.90 -1.87 103.07 113.14 2b6e h GLY 55 Ca -0.35 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 2b6e h GLY 55 CO 0.96 0.19 0.06 -1.33 0.00 0.00 0.00 176.54 176.42 2b6e h GLY 56 N 0.69 1.11 1.45 4.60 0.00 -1.96 -2.74 103.07 106.22 2b6e h GLY 56 Ca 0.31 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 2b6e h GLY 56 CO -0.10 0.72 0.03 -2.08 0.00 0.00 0.00 176.54 175.10 2b6e h VAL 57 N 0.93 1.22 -0.80 4.60 2.07 -1.70 -1.67 116.25 120.90 2b6e h VAL 57 Ca 0.18 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.87 2b6e h VAL 57 Cb 0.49 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2b6e h VAL 57 CO 0.02 0.30 0.53 0.28 0.02 0.00 0.00 177.57 178.72 2b6e h SER 58 N 0.65 0.86 -0.24 0.57 0.02 -1.13 0.15 113.55 114.43 2b6e h SER 58 Ca 0.14 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 2b6e h SER 58 Cb 0.36 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2b6e h SER 58 CO 0.01 0.60 -0.24 0.58 -1.14 0.00 0.00 176.83 176.64 2b6e h VAL 59 N 1.00 1.27 -0.88 2.27 2.07 -1.10 -1.28 116.25 119.60 2b6e h VAL 59 Ca 0.32 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.54 2b6e h VAL 59 Cb 0.02 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2b6e h VAL 59 CO -0.09 0.44 0.56 0.00 0.02 0.00 0.00 177.57 178.50 2b6e h ALA 60 N 1.12 1.16 -0.20 1.67 0.00 -0.34 -0.23 119.26 122.45 2b6e h ALA 60 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b6e h ALA 60 Cb 0.73 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2b6e h ALA 60 CO 0.06 0.39 0.07 1.25 0.00 0.00 0.00 179.25 181.02 2b6e h LEU 61 N 1.08 0.29 -0.32 0.00 5.85 -0.79 -2.03 115.31 119.39 2b6e h LEU 61 Ca 0.35 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2b6e h LEU 61 Cb 0.03 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2b6e h LEU 61 CO -0.13 0.40 0.06 0.00 -0.34 0.00 0.00 178.44 178.43 2b6e h ALA 62 N 0.90 0.33 -0.22 1.25 0.00 -0.41 -1.78 119.26 119.33 2b6e h ALA 62 Ca 0.07 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2b6e h ALA 62 Cb 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2b6e h ALA 62 CO -0.00 -0.35 -0.25 1.49 0.00 0.00 0.00 179.25 180.14 2b6e h GLU 63 N 0.17 0.40 0.83 0.00 4.81 -1.03 -0.54 114.58 119.23 2b6e h GLU 63 Ca 0.15 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2b6e h GLU 63 Cb 0.17 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2b6e h GLU 63 CO -0.20 0.63 -0.40 1.15 -0.73 0.00 0.00 179.01 179.46 2b6e h THR 64 N 0.36 0.00 -0.26 0.32 2.02 -0.73 0.23 112.91 114.84 2b6e h THR 64 Ca 0.05 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 2b6e h THR 64 Cb 0.64 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2b6e h THR 64 CO 0.05 0.00 -0.01 -0.29 0.37 0.00 0.00 175.52 175.63 2b6e h ILE 65 N -1.13 1.17 -0.27 3.11 6.09 -1.36 -1.02 117.51 124.09 2b6e h ILE 65 Ca -0.11 -0.66 -0.11 0.00 -1.37 0.00 0.00 64.86 62.61 2b6e h ILE 65 Cb 0.86 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 39.13 2b6e h ILE 65 CO 0.19 0.22 -0.24 1.23 -3.07 0.00 0.00 178.15 176.48 2b6e h GLY 66 N 0.72 0.70 1.06 8.18 0.00 -0.98 -1.43 103.07 111.32 2b6e h GLY 66 Ca 0.08 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 2b6e h GLY 66 CO 0.01 0.63 -0.12 1.76 0.00 0.00 0.00 176.54 178.82 2b6e h SER 67 N 0.37 0.95 -0.24 0.19 0.02 -0.29 -1.90 113.55 112.65 2b6e h SER 67 Ca 0.05 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2b6e h SER 67 Cb 0.80 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2b6e h SER 67 CO 0.06 1.09 0.13 0.25 -1.14 0.00 0.00 176.83 177.23 2b6e h LEU 68 N 0.80 0.30 -0.50 5.07 5.85 -1.19 -2.35 115.31 123.29 2b6e h LEU 68 Ca 0.12 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.81 2b6e h LEU 68 Cb 0.67 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2b6e h LEU 68 CO 0.05 0.29 0.24 0.00 -0.34 0.00 0.00 178.44 178.68 2b6e h ALA 69 N 1.02 0.63 -0.47 1.25 0.00 -1.13 -2.45 119.26 118.11 2b6e h ALA 69 Ca 0.09 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2b6e h ALA 69 Cb 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2b6e h ALA 69 CO -0.01 -0.12 0.26 0.78 0.00 0.00 0.00 179.25 180.16 2b6e h GLY 70 N 0.47 0.65 1.83 0.00 0.00 -1.05 -2.42 103.07 102.56 2b6e h GLY 70 Ca 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 2b6e h GLY 70 CO -0.17 0.14 -0.18 1.48 0.00 0.00 0.00 176.54 177.82 2b6e h SER 71 N 0.51 0.20 0.52 0.19 4.64 -1.19 -1.83 113.55 116.59 2b6e h SER 71 Ca 0.19 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2b6e h SER 71 Cb 0.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2b6e h SER 71 CO -0.11 0.40 0.00 0.18 -0.87 0.00 0.00 176.83 176.42 2b6e n LEU 72 N -4.24 0.00 -1.14 5.97 4.77 -0.92 -1.96 117.00 119.48 2b6e n LEU 72 Ca -0.01 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 2b6e n LEU 72 Cb 0.30 -0.48 0.22 0.00 -2.33 0.00 0.00 43.42 41.13 2b6e n LEU 72 CO 0.38 -0.22 0.70 0.00 -1.33 0.00 0.00 177.39 176.93 2b6e s LEU 74 N -1.40 3.23 0.96 0.00 1.43 -0.83 -4.60 118.68 117.47 2b6e s LEU 74 Ca 0.38 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 2b6e s LEU 74 Cb 0.22 -1.84 0.18 0.00 0.03 0.00 0.00 46.19 44.78 2b6e s LEU 74 CO 0.31 0.06 1.22 -1.61 0.23 0.00 0.00 176.35 176.56 2b6e s GLU 75 N -3.17 0.67 0.40 1.70 2.02 -1.26 -4.17 118.70 114.88 2b6e s GLU 75 Ca 0.28 -0.11 -0.26 0.00 0.02 0.00 0.00 54.97 54.90 2b6e s GLU 75 Cb -0.08 -1.82 -0.09 0.00 0.10 0.00 0.00 34.13 32.24 2b6e s GLU 75 CO 0.19 -2.44 1.29 -1.21 0.02 0.00 0.00 175.26 173.10 2b6e s GLU 76 N -5.63 4.00 0.00 1.61 0.41 -1.26 -2.80 118.70 115.03 2b6e s GLU 76 Ca 0.69 2.12 0.00 0.00 -0.41 0.00 0.00 54.97 57.37 2b6e s GLU 76 Cb -0.08 -2.76 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 2b6e s GLU 76 CO 0.53 -0.46 0.00 0.41 -0.49 0.00 0.00 175.26 175.25 2b6e n GLY 77 N 0.68 3.41 3.59 -1.39 0.00 -1.26 -5.04 105.19 105.16 2b6e n GLY 77 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.81 2.60 0.20 1.61 1.02 -1.12 -4.45 119.74 118.79 2b6e s LYS 78 Ca 0.00 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 2b6e s LYS 78 Cb 0.00 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2b6e s LYS 78 CO 0.00 0.62 0.13 -0.08 -0.92 0.00 0.00 175.35 175.10 2b6e s THR 79 N -0.94 0.01 0.19 2.17 -1.32 -0.45 -4.73 115.64 110.58 2b6e s THR 79 Ca 0.16 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.70 2b6e s THR 79 Cb -0.11 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 2b6e s THR 79 CO 0.06 0.00 0.08 0.68 -2.21 0.00 0.00 174.62 173.23 2b6e s VAL 80 N -4.14 4.09 -0.05 5.08 -7.23 -1.26 -1.55 120.40 115.33 2b6e s VAL 80 Ca 0.39 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2b6e s VAL 80 Cb 0.07 -3.11 0.02 0.00 0.56 0.00 0.00 36.38 33.92 2b6e s VAL 80 CO 0.12 -0.18 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.97 2b6e s VAL 81 N -1.87 0.77 -0.06 1.32 1.01 -0.09 -4.95 120.40 116.54 2b6e s VAL 81 Ca 0.30 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2b6e s VAL 81 Cb -0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2b6e s VAL 81 CO 0.21 0.27 1.52 -0.83 0.00 0.00 0.00 175.10 176.28 2b6e s GLY 82 N 0.82 1.63 -0.20 4.51 0.00 -1.26 -0.57 107.32 112.25 2b6e s GLY 82 Ca -0.12 0.85 -0.18 0.00 0.00 0.00 0.00 44.72 45.27 2b6e s GLY 82 CO 0.01 2.81 0.03 1.04 0.00 0.00 0.00 173.10 176.99 2b6e n LEU 83 N 6.55 1.86 -3.51 0.66 4.32 0.09 -4.92 117.00 122.04 2b6e n LEU 83 Ca 0.16 0.46 -0.11 0.00 -0.02 0.00 0.00 56.01 56.50 2b6e n LEU 83 Cb 0.43 -0.92 -0.02 0.00 -1.62 0.00 0.00 43.42 41.29 2b6e n LEU 83 CO 0.60 0.11 0.41 1.51 -1.22 0.00 0.00 177.39 178.80 2b6e s ASP 84 N -6.63 -0.50 0.02 -1.43 1.47 -1.13 -5.02 116.67 103.45 2b6e s ASP 84 Ca -0.27 -0.13 -0.18 0.00 1.18 0.00 0.00 52.55 53.15 2b6e s ASP 84 Cb 0.06 0.62 0.04 0.00 -0.34 0.00 0.00 42.92 43.30 2b6e s ASP 84 CO 0.48 -1.04 0.41 -0.51 0.68 0.00 0.00 175.17 175.19 2b6e s ILE 85 N -3.79 0.05 0.08 2.11 2.07 -1.26 -0.77 121.20 119.70 2b6e s ILE 85 Ca 0.03 -0.42 -0.05 0.00 -1.41 0.00 0.00 60.65 58.80 2b6e s ILE 85 Cb -0.02 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 2b6e s ILE 85 CO -0.09 -0.23 0.10 0.54 -1.91 0.00 0.00 174.94 173.35 2b6e s ASN 86 N -1.77 0.28 -0.11 4.50 2.20 -0.76 -5.00 114.94 114.27 2b6e s ASN 86 Ca -0.08 -0.86 -0.30 0.00 -0.94 0.00 0.00 52.86 50.68 2b6e s ASN 86 Cb -0.02 0.29 0.09 0.00 -2.00 0.00 0.00 41.25 39.61 2b6e s ASN 86 CO 0.00 -0.69 0.81 0.00 -2.94 0.00 0.00 177.10 174.29 2b6e s ALA 87 N -3.91 -1.84 -0.12 3.54 0.00 -1.26 -1.94 121.76 116.23 2b6e s ALA 87 Ca 0.08 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.53 2b6e s ALA 87 Cb 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2b6e s ALA 87 CO -0.09 -0.34 -0.16 -0.80 0.00 0.00 0.00 175.76 174.37 2b6e s ASN 88 N -1.03 3.76 -0.34 0.00 -0.87 -0.08 -4.98 114.94 111.40 2b6e s ASN 88 Ca -0.07 -0.39 -0.18 0.00 -1.57 0.00 0.00 52.86 50.66 2b6e s ASN 88 Cb -0.01 -1.56 -0.01 0.00 -0.02 0.00 0.00 41.25 39.66 2b6e s ASN 88 CO 0.06 0.16 0.49 -1.00 -2.57 0.00 0.00 177.10 174.24 2b6e s HIS 89 N 0.35 3.19 -0.05 2.20 3.76 -1.26 -1.95 115.29 121.53 2b6e s HIS 89 Ca -0.13 0.18 0.09 0.00 -0.15 0.00 0.00 55.06 55.05 2b6e s HIS 89 Cb -0.16 -2.86 -0.24 0.00 1.11 0.00 0.00 32.58 30.43 2b6e s HIS 89 CO 0.07 -0.50 0.62 -0.07 -0.85 0.00 0.00 174.74 174.01 2b6e h LEU 90 N 9.00 0.08 -7.00 0.89 3.38 -1.04 -3.49 115.31 117.14 2b6e h LEU 90 Ca -0.28 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2b6e h LEU 90 Cb 1.13 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.68 2b6e h LEU 90 CO 0.75 1.16 0.22 0.00 0.09 0.00 0.00 178.44 180.66 2b6e s ARG 91 N -2.59 1.09 0.45 1.13 1.70 -1.20 -5.01 118.95 114.52 2b6e s ARG 91 Ca -0.08 0.06 -0.22 0.00 -0.47 0.00 0.00 55.73 55.02 2b6e s ARG 91 Cb 0.08 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.88 2b6e s ARG 91 CO 0.82 -0.38 1.06 -1.25 -1.08 0.00 0.00 175.30 174.47 2b6e s PRO 92 N -1.86 3.93 -0.06 3.89 0.04 -1.26 -4.81 135.00 134.87 2b6e s PRO 92 Ca -0.07 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.48 2b6e s PRO 92 Cb -0.00 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.23 2b6e s PRO 92 CO 0.04 -0.34 -0.12 0.08 0.04 0.00 0.00 177.00 176.69 2b6e s VAL 93 N -1.78 1.12 0.00 -0.36 1.01 -1.26 -5.00 120.40 114.13 2b6e s VAL 93 Ca 0.63 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2b6e s VAL 93 Cb -0.21 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2b6e s VAL 93 CO 0.25 0.35 0.67 -2.11 0.00 0.00 0.00 175.10 174.27 2b6e n ARG 94 N 3.75 1.18 -3.48 2.72 1.85 -1.26 0.74 116.66 122.16 2b6e n ARG 94 Ca -0.22 -0.88 -0.15 0.00 -1.00 0.00 0.00 57.85 55.59 2b6e n ARG 94 Cb 0.52 -0.73 -0.04 0.00 -1.05 0.00 0.00 32.46 31.15 2b6e n ARG 94 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2b6e s SER 95 N -0.41 -0.61 0.13 2.89 1.04 -1.26 -4.94 113.70 110.54 2b6e s SER 95 Ca 0.00 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2b6e s SER 95 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2b6e s SER 95 CO 0.00 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2b6e n GLY 96 N 0.40 -1.55 3.67 7.32 0.00 -1.26 -4.82 105.19 108.95 2b6e n GLY 96 Ca -0.18 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 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 2.44 0.10 1.61 -2.85 -1.26 -1.05 119.74 118.73 2b6e s LYS 97 Ca 0.00 -1.03 0.05 0.00 -1.00 0.00 0.00 55.97 54.00 2b6e s LYS 97 Cb 0.00 -2.41 -0.04 0.00 -2.06 0.00 0.00 37.83 33.32 2b6e s LYS 97 CO 0.00 0.48 -0.02 0.14 0.10 0.00 0.00 175.35 176.05 2b6e s VAL 98 N -1.60 3.87 -0.16 1.79 -7.23 -1.26 -3.18 120.40 112.64 2b6e s VAL 98 Ca 0.27 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.39 2b6e s VAL 98 Cb -0.10 -2.85 0.02 0.00 0.56 0.00 0.00 36.38 34.01 2b6e s VAL 98 CO 0.18 0.11 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.98 2b6e s THR 99 N -1.31 2.04 -0.24 5.32 2.01 0.24 -4.32 115.64 119.38 2b6e s THR 99 Ca 0.25 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.22 2b6e s THR 99 Cb -0.11 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2b6e s THR 99 CO 0.17 0.54 0.10 0.00 -0.69 0.00 0.00 174.62 174.74 2b6e s ALA 100 N 1.05 3.33 -0.19 7.40 0.00 -0.06 -0.57 121.76 132.72 2b6e s ALA 100 Ca -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 2b6e s ALA 100 Cb -0.14 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 2b6e s ALA 100 CO -0.07 -0.31 -0.03 0.50 0.00 0.00 0.00 175.76 175.84 2b6e s ARG 101 N 1.29 3.51 -0.22 0.00 3.52 0.41 -1.78 118.95 125.68 2b6e s ARG 101 Ca 0.06 -0.58 -0.08 0.00 -0.13 0.00 0.00 55.73 55.00 2b6e s ARG 101 Cb -0.15 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2b6e s ARG 101 CO 0.05 -0.01 0.08 0.00 -0.81 0.00 0.00 175.30 174.60 2b6e s ALA 102 N 1.03 3.31 -0.00 6.12 0.00 -0.48 -1.54 121.76 130.20 2b6e s ALA 102 Ca 0.01 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.08 2b6e s ALA 102 Cb -0.15 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 2b6e s ALA 102 CO 0.01 -0.16 -0.13 0.95 0.00 0.00 0.00 175.76 176.43 2b6e s THR 103 N 1.00 1.03 0.34 0.00 -4.23 -0.26 -2.72 115.64 110.81 2b6e s THR 103 Ca 0.04 -0.62 -0.27 0.00 -1.18 0.00 0.00 61.69 59.66 2b6e s THR 103 Cb -0.14 -0.88 -0.09 0.00 1.34 0.00 0.00 72.50 72.73 2b6e s THR 103 CO 0.03 0.24 1.10 -2.16 -0.54 0.00 0.00 174.62 173.29 2b6e s PRO 104 N -0.44 4.36 -0.18 3.99 0.04 -1.26 -0.73 135.00 140.78 2b6e s PRO 104 Ca 0.04 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2b6e s PRO 104 Cb -0.05 -2.87 -0.11 0.00 0.04 0.00 0.00 34.50 31.50 2b6e s PRO 104 CO -0.00 -0.02 -0.17 -0.89 0.04 0.00 0.00 177.00 175.96 2b6e n ILE 105 N 0.55 1.04 -3.62 0.56 5.41 0.08 -4.84 119.36 118.54 2b6e n ILE 105 Ca 0.02 -0.38 -0.04 0.00 1.00 0.00 0.00 62.75 63.35 2b6e n ILE 105 Cb 0.47 -1.21 -0.06 0.00 -0.71 0.00 0.00 39.64 38.13 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 -5.86 -0.91 -0.38 4.38 3.84 -1.06 -4.98 114.94 109.97 2b6e s ASN 106 Ca -0.25 1.36 -0.00 0.00 0.21 0.00 0.00 52.86 54.18 2b6e s ASN 106 Cb 0.07 1.66 0.10 0.00 -0.55 0.00 0.00 41.25 42.53 2b6e s ASN 106 CO 0.41 -0.20 0.14 -0.76 -2.79 0.00 0.00 177.10 173.90 2b6e s LEU 107 N 2.05 5.01 0.00 3.21 1.43 -1.26 -0.31 118.68 128.81 2b6e s LEU 107 Ca -0.08 -2.03 0.09 0.00 -1.03 0.00 0.00 54.13 51.08 2b6e s LEU 107 Cb -0.07 -1.75 0.09 0.00 0.03 0.00 0.00 46.19 44.48 2b6e s LEU 107 CO -0.19 -0.47 0.73 0.61 0.23 0.00 0.00 176.35 177.26 2b6e n GLY 108 N 4.48 2.05 0.15 -3.19 0.00 -0.03 -5.01 105.19 103.64 2b6e n GLY 108 Ca -0.01 -2.23 0.02 0.00 0.00 0.00 0.00 46.02 43.80 2b6e n GLY 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2b6e h ARG 109 N 0.00 0.00 0.00 1.61 2.43 -2.00 -3.37 114.38 113.05 2b6e h ARG 109 Ca -0.27 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.78 2b6e h ARG 109 Cb 1.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2b6e h ARG 109 CO 0.39 0.54 -1.44 0.09 -1.51 0.00 0.00 179.97 178.03 2b6e n ASN 110 N -3.55 3.41 -4.07 -3.80 3.02 -1.26 -4.73 115.26 104.28 2b6e n ASN 110 Ca -0.00 -0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 2b6e n ASN 110 Cb 0.62 0.58 -0.14 0.00 -0.61 0.00 0.00 39.78 40.23 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 -2.16 0.86 0.02 2.41 -1.09 -1.26 -0.14 121.20 119.84 2b6e s ILE 111 Ca -0.04 -0.68 0.06 0.00 -2.23 0.00 0.00 60.65 57.76 2b6e s ILE 111 Cb 0.02 -0.76 -0.02 0.00 -1.58 0.00 0.00 42.46 40.12 2b6e s ILE 111 CO 0.25 0.08 -0.19 -1.10 -1.23 0.00 0.00 174.94 172.76 2b6e s GLN 112 N -0.68 1.38 -0.14 2.79 -0.21 -0.01 -0.85 119.66 121.93 2b6e s GLN 112 Ca 0.02 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.62 2b6e s GLN 112 Cb -0.06 -1.41 0.02 0.00 1.00 0.00 0.00 33.01 32.56 2b6e s GLN 112 CO 0.00 0.37 -0.18 0.08 -2.12 0.00 0.00 175.29 173.44 2b6e s VAL 113 N -0.64 1.83 0.03 1.09 1.01 0.57 -0.12 120.40 124.16 2b6e s VAL 113 Ca 0.07 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2b6e s VAL 113 Cb -0.08 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 2b6e s VAL 113 CO 0.01 0.50 -0.23 0.26 0.00 0.00 0.00 175.10 175.64 2b6e s TRP 114 N 1.11 2.43 -0.16 5.22 0.52 0.22 -0.74 118.94 127.54 2b6e s TRP 114 Ca -0.02 -0.34 -0.07 0.00 0.02 0.00 0.00 56.10 55.69 2b6e s TRP 114 Cb -0.14 -1.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 2b6e s TRP 114 CO -0.06 0.15 0.07 -1.14 0.02 0.00 0.00 176.95 175.99 2b6e s GLN 115 N -1.18 3.76 -0.14 4.98 0.74 0.09 -0.62 119.66 127.30 2b6e s GLN 115 Ca 0.12 -0.31 -0.01 0.00 0.05 0.00 0.00 55.36 55.22 2b6e s GLN 115 Cb -0.10 -3.16 0.03 0.00 1.10 0.00 0.00 33.01 30.88 2b6e s GLN 115 CO 0.03 0.42 -0.06 0.42 -0.55 0.00 0.00 175.29 175.55 2b6e s ILE 116 N -0.05 1.04 -0.15 -2.34 1.09 0.61 -1.10 121.20 120.30 2b6e s ILE 116 Ca 0.07 -0.43 -0.02 0.00 -1.10 0.00 0.00 60.65 59.16 2b6e s ILE 116 Cb -0.12 -1.14 -0.02 0.00 -1.06 0.00 0.00 42.46 40.12 2b6e s ILE 116 CO 0.01 0.25 -0.08 -1.81 -0.10 0.00 0.00 174.94 173.20 2b6e s ASP 117 N 1.69 4.36 -0.17 3.58 1.11 -0.59 -0.40 116.67 126.25 2b6e s ASP 117 Ca 0.03 -0.25 -0.03 0.00 0.18 0.00 0.00 52.55 52.48 2b6e s ASP 117 Cb -0.14 -1.69 -0.02 0.00 1.07 0.00 0.00 42.92 42.14 2b6e s ASP 117 CO -0.08 0.15 -0.07 -0.63 1.18 0.00 0.00 175.17 175.73 2b6e s ILE 118 N 0.44 3.47 0.23 0.77 1.01 0.03 -0.44 121.20 126.71 2b6e s ILE 118 Ca -0.07 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.19 2b6e s ILE 118 Cb -0.15 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2b6e s ILE 118 CO 0.04 0.48 -0.15 -0.13 0.00 0.00 0.00 174.94 175.18 2b6e s ARG 119 N 0.72 1.83 0.81 2.79 0.52 0.26 -0.81 118.95 125.07 2b6e s ARG 119 Ca -0.03 -1.51 -0.07 0.00 -0.52 0.00 0.00 55.73 53.60 2b6e s ARG 119 Cb -0.15 -1.96 0.15 0.00 0.52 0.00 0.00 34.95 33.51 2b6e s ARG 119 CO 0.02 0.38 1.12 0.95 0.02 0.00 0.00 175.30 177.79 2b6e s THR 120 N -2.02 2.10 0.41 0.02 -4.23 0.18 -0.59 115.64 111.50 2b6e s THR 120 Ca 0.26 -0.35 0.39 0.00 -1.18 0.00 0.00 61.69 60.82 2b6e s THR 120 Cb -0.07 -2.75 0.40 0.00 1.34 0.00 0.00 72.50 71.42 2b6e s THR 120 CO 0.14 0.00 2.19 1.05 -0.54 0.00 0.00 174.62 177.47 2b6e h GLU 121 N -0.95 0.00 -0.56 3.99 4.11 -1.86 0.13 114.58 119.44 2b6e h GLU 121 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 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 0.41 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.88 2b6e n GLU 122 N -2.95 2.52 -1.68 1.06 -0.58 -1.26 -4.90 120.64 112.85 2b6e n GLU 122 Ca -0.02 -1.75 -0.20 0.00 -0.42 0.00 0.00 57.16 54.78 2b6e n GLU 122 Cb 0.12 -1.57 -0.07 0.00 -0.57 0.00 0.00 31.44 29.35 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 0.68 -5.39 -4.77 1.62 4.13 0.46 -4.98 115.26 107.01 2b6e n ASN 123 Ca 0.16 0.42 -0.37 0.00 1.68 0.00 0.00 54.58 56.46 2b6e n ASN 123 Cb 0.54 -4.59 -0.06 0.00 -1.54 0.00 0.00 39.78 34.12 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 -3.84 4.11 -0.02 3.52 1.02 -1.26 -4.76 119.74 118.52 2b6e s LYS 124 Ca 0.00 0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 2b6e s LYS 124 Cb 0.00 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 2b6e s LYS 124 CO 0.00 0.40 1.62 -1.17 -0.92 0.00 0.00 175.35 175.29 2b6e s LEU 125 N -0.10 4.33 -0.01 3.17 2.96 -1.26 -0.65 118.68 127.12 2b6e s LEU 125 Ca 0.21 2.28 0.10 0.00 -0.22 0.00 0.00 54.13 56.50 2b6e s LEU 125 Cb -0.15 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.86 2b6e s LEU 125 CO 0.08 -0.89 0.28 0.00 -1.32 0.00 0.00 176.35 174.51 2b6e s VAL 128 N 0.54 1.41 0.04 0.00 -7.23 -0.82 -0.79 120.40 113.56 2b6e s VAL 128 Ca -0.01 -0.72 -0.04 0.00 -1.81 0.00 0.00 61.98 59.40 2b6e s VAL 128 Cb -0.05 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 2b6e s VAL 128 CO -0.03 0.41 0.06 -0.55 -0.31 0.00 0.00 175.10 174.68 2b6e s SER 129 N -0.03 0.25 -0.05 4.85 0.15 0.46 -0.90 113.70 118.44 2b6e s SER 129 Ca -0.02 -0.65 0.02 0.00 0.70 0.00 0.00 55.95 55.99 2b6e s SER 129 Cb -0.11 0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 2b6e s SER 129 CO 0.02 -0.53 -0.09 -0.60 1.20 0.00 0.00 173.24 173.23 2b6e s ARG 130 N -2.93 1.26 -0.05 5.44 3.52 -0.82 -0.28 118.95 125.09 2b6e s ARG 130 Ca -0.02 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.33 2b6e s ARG 130 Cb 0.01 -1.11 -0.02 0.00 -1.56 0.00 0.00 34.95 32.26 2b6e s ARG 130 CO -0.06 0.02 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.09 2b6e s LEU 131 N 0.62 2.45 -0.19 -0.88 2.96 0.21 -1.84 118.68 122.01 2b6e s LEU 131 Ca -0.11 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 2b6e s LEU 131 Cb -0.14 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.07 2b6e s LEU 131 CO 0.02 0.31 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.37 2b6e s THR 132 N -0.52 3.04 0.11 3.68 2.01 0.05 -0.61 115.64 123.40 2b6e s THR 132 Ca 0.07 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.53 2b6e s THR 132 Cb -0.11 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2b6e s THR 132 CO 0.01 0.47 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.48 2b6e s LEU 133 N 1.12 2.71 -0.13 4.42 1.43 0.82 -0.74 118.68 128.32 2b6e s LEU 133 Ca 0.01 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2b6e s LEU 133 Cb -0.14 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2b6e s LEU 133 CO -0.03 0.19 -0.02 -0.55 0.23 0.00 0.00 176.35 176.17 2b6e s SER 134 N -2.05 4.99 -0.20 2.29 0.15 0.27 -0.83 113.70 118.32 2b6e s SER 134 Ca 0.18 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.65 2b6e s SER 134 Cb -0.11 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 2b6e s SER 134 CO 0.10 0.25 0.41 -0.69 1.20 0.00 0.00 173.24 174.50 2b6e s VAL 135 N -0.10 5.19 0.16 4.45 1.01 0.80 -0.91 120.40 131.00 2b6e s VAL 135 Ca 0.03 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.78 2b6e s VAL 135 Cb -0.13 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2b6e s VAL 135 CO 0.02 0.25 -0.09 0.27 0.00 0.00 0.00 175.10 175.56 2b6e s ILE 136 N 1.30 1.15 -2.67 2.22 -4.36 -0.60 -4.83 121.20 113.42 2b6e s ILE 136 Ca 0.19 -2.06 0.27 0.00 -0.26 0.00 0.00 60.65 58.79 2b6e s ILE 136 Cb -0.15 -1.93 0.43 0.00 1.25 0.00 0.00 42.46 42.06 2b6e s ILE 136 CO 0.08 -0.68 1.58 0.59 0.24 0.00 0.00 174.94 176.75