#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b6e n TRP 3 N 0.00 2.49 -0.20 -1.77 5.03 -1.26 -4.67 117.44 117.06 2b6e n TRP 3 Ca 0.00 0.50 0.00 0.00 3.03 0.00 0.00 57.50 61.03 2b6e n TRP 3 Cb 0.00 -2.44 0.00 0.00 -1.03 0.00 0.00 31.31 27.84 2b6e n TRP 3 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 2b6e n LYS 4 N 0.34 0.22 -4.90 -0.99 5.02 0.42 -4.97 118.16 113.31 2b6e n LYS 4 Ca 0.04 -0.32 -0.26 0.00 -2.02 0.00 0.00 58.31 55.75 2b6e n LYS 4 Cb 0.38 -0.80 -0.15 0.00 -0.02 0.00 0.00 35.03 34.44 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 -0.12 1.52 0.50 1.97 1.02 -1.10 -4.54 119.74 118.98 2b6e s LYS 5 Ca 0.00 -0.67 -0.17 0.00 0.02 0.00 0.00 55.97 55.15 2b6e s LYS 5 Cb 0.00 -1.47 -0.08 0.00 -0.52 0.00 0.00 37.83 35.76 2b6e s LYS 5 CO 0.00 0.40 0.97 0.95 -0.92 0.00 0.00 175.35 176.75 2b6e s THR 6 N -0.43 4.52 0.03 2.17 -4.23 -1.26 -4.98 115.64 111.46 2b6e s THR 6 Ca 0.07 1.23 -0.28 0.00 -1.18 0.00 0.00 61.69 61.53 2b6e s THR 6 Cb -0.07 -3.70 0.09 0.00 1.34 0.00 0.00 72.50 70.16 2b6e s THR 6 CO -0.01 -0.63 0.94 0.72 -0.54 0.00 0.00 174.62 175.10 2b6e s PHE 7 N -2.56 -0.26 0.03 3.99 -0.12 -1.26 -5.15 117.98 112.66 2b6e s PHE 7 Ca 0.59 0.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.58 2b6e s PHE 7 Cb -0.10 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 2b6e s PHE 7 CO 0.29 -0.59 -0.07 0.95 -0.05 0.00 0.00 175.22 175.75 2b6e s THR 8 N -3.10 0.48 0.43 -4.49 -4.23 -1.26 -5.03 115.64 98.43 2b6e s THR 8 Ca 0.08 -0.89 0.10 0.00 -1.18 0.00 0.00 61.69 59.80 2b6e s THR 8 Cb -0.01 -0.52 0.23 0.00 1.34 0.00 0.00 72.50 73.53 2b6e s THR 8 CO -0.05 -0.29 2.03 -0.07 -0.54 0.00 0.00 174.62 175.69 2b6e h LEU 9 N 4.82 0.26 -0.05 4.79 3.38 -1.99 -1.08 115.31 125.44 2b6e h LEU 9 Ca -0.34 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2b6e h LEU 9 Cb 1.20 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2b6e h LEU 9 CO 0.43 0.27 0.02 -0.08 0.09 0.00 0.00 178.44 179.17 2b6e h GLU 10 N 0.29 0.07 -0.61 1.13 4.81 -1.96 -1.46 114.58 116.86 2b6e h GLU 10 Ca 0.07 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2b6e h GLU 10 Cb 0.12 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2b6e h GLU 10 CO -0.00 0.24 0.07 -0.91 -0.73 0.00 0.00 179.01 177.67 2b6e h ASN 11 N -0.11 0.99 -0.53 1.04 -0.26 -1.89 -1.43 115.58 113.40 2b6e h ASN 11 Ca 0.02 -0.27 -0.03 0.00 -0.56 0.00 0.00 56.30 55.46 2b6e h ASN 11 Cb 0.19 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 2b6e h ASN 11 CO -0.00 1.01 0.23 -0.07 -1.06 0.00 0.00 177.43 177.54 2b6e h LEU 12 N 0.93 0.71 -1.22 1.61 3.38 -1.15 0.21 115.31 119.79 2b6e h LEU 12 Ca 0.18 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2b6e h LEU 12 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2b6e h LEU 12 CO 0.02 0.67 -0.35 0.78 0.09 0.00 0.00 178.44 179.65 2b6e h ASN 13 N 0.71 0.07 -0.23 -0.43 2.35 -1.14 -0.64 115.58 116.28 2b6e h ASN 13 Ca 0.18 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2b6e h ASN 13 Cb 0.16 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2b6e h ASN 13 CO -0.02 0.42 -0.11 1.56 -1.65 0.00 0.00 177.43 177.64 2b6e h GLN 14 N 0.07 0.47 -0.19 0.81 1.08 -0.58 -2.44 115.11 114.33 2b6e h GLN 14 Ca 0.01 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 2b6e h GLN 14 Cb 0.65 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2b6e h GLN 14 CO 0.05 0.75 0.07 1.25 -0.95 0.00 0.00 178.83 180.00 2b6e h LEU 15 N 0.19 0.22 -0.15 1.46 5.85 -0.16 -1.93 115.31 120.78 2b6e h LEU 15 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2b6e h LEU 15 Cb 0.61 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2b6e h LEU 15 CO 0.03 0.21 -0.14 0.00 -0.34 0.00 0.00 178.44 178.20 2b6e s SER 17 N -2.64 4.26 -1.34 0.00 1.04 -0.73 -3.27 113.70 111.02 2b6e s SER 17 Ca 0.24 2.42 -0.01 0.00 0.48 0.00 0.00 55.95 59.08 2b6e s SER 17 Cb 0.20 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.73 2b6e s SER 17 CO 0.51 -2.22 0.67 -3.20 0.98 0.00 0.00 173.24 169.98 2b6e n ASN 18 N -2.55 -1.30 -3.12 7.02 5.15 -1.26 -4.93 115.26 114.27 2b6e n ASN 18 Ca 0.14 -0.85 -0.16 0.00 -0.60 0.00 0.00 54.58 53.11 2b6e n ASN 18 Cb 0.50 -3.86 -0.04 0.00 -0.53 0.00 0.00 39.78 35.85 2b6e n ASN 18 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2b6e s SER 19 N -4.28 1.14 0.53 1.20 1.04 -1.20 -5.02 113.70 107.11 2b6e s SER 19 Ca 0.06 -1.58 0.23 0.00 0.48 0.00 0.00 55.95 55.15 2b6e s SER 19 Cb -0.03 0.68 1.47 0.00 0.10 0.00 0.00 66.02 68.24 2b6e s SER 19 CO 0.83 -1.32 2.15 0.00 0.98 0.00 0.00 173.24 175.88 2b6e h ALA 20 N 2.07 1.62 0.53 5.32 0.00 -1.94 -0.94 119.26 125.91 2b6e h ALA 20 Ca -0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2b6e h ALA 20 Cb 1.24 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2b6e h ALA 20 CO 0.38 0.07 -0.25 0.28 0.00 0.00 0.00 179.25 179.73 2b6e h VAL 21 N 0.00 0.38 -0.26 0.00 2.07 -1.95 -2.40 116.25 114.10 2b6e h VAL 21 Ca -0.00 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2b6e h VAL 21 Cb 0.12 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2b6e h VAL 21 CO 0.01 0.05 -0.15 0.77 0.02 0.00 0.00 177.57 178.27 2b6e h SER 22 N -0.95 0.43 0.03 0.57 4.64 -1.53 -2.20 113.55 114.54 2b6e h SER 22 Ca -0.07 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2b6e h SER 22 Cb 0.62 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2b6e h SER 22 CO 0.12 0.61 -0.03 -0.74 -0.87 0.00 0.00 176.83 175.91 2b6e h HIS 23 N 0.41 0.00 -0.18 4.77 2.76 -1.09 -0.38 115.15 121.44 2b6e h HIS 23 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2b6e h HIS 23 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 2b6e h HIS 23 CO 0.01 0.03 0.00 1.28 -1.30 0.00 0.00 177.93 177.96 2b6e n LEU 24 N -4.45 2.21 -0.23 0.26 4.77 -0.91 -4.93 117.00 113.71 2b6e n LEU 24 Ca -0.03 -0.89 -0.03 0.00 -0.03 0.00 0.00 56.01 55.03 2b6e n LEU 24 Cb 0.12 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2b6e n LEU 24 CO 0.34 0.44 -0.03 0.61 -1.33 0.00 0.00 177.39 177.42 2b6e n GLY 25 N 1.25 0.61 3.73 -0.72 0.00 -0.15 -4.55 105.19 105.35 2b6e n GLY 25 Ca 0.17 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.01 3.88 -0.09 -0.61 1.01 -0.87 -4.34 121.20 118.18 2b6e s ILE 26 Ca 0.00 1.47 0.02 0.00 0.00 0.00 0.00 60.65 62.15 2b6e s ILE 26 Cb 0.00 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.54 2b6e s ILE 26 CO 0.00 0.18 -0.15 -0.70 0.00 0.00 0.00 174.94 174.27 2b6e s GLU 27 N 0.36 2.08 -0.22 2.79 2.12 -0.27 -4.53 118.70 121.02 2b6e s GLU 27 Ca 0.55 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 2b6e s GLU 27 Cb -0.30 -1.71 -0.02 0.00 0.26 0.00 0.00 34.13 32.36 2b6e s GLU 27 CO 0.33 0.01 1.49 0.42 -0.54 0.00 0.00 175.26 176.97 2b6e s ILE 28 N 0.75 3.88 -0.08 -3.70 -1.09 -1.26 -0.44 121.20 119.25 2b6e s ILE 28 Ca -0.12 1.01 0.16 0.00 -2.23 0.00 0.00 60.65 59.46 2b6e s ILE 28 Cb -0.16 -3.84 -0.23 0.00 -1.58 0.00 0.00 42.46 36.65 2b6e s ILE 28 CO 0.03 -0.30 0.23 -1.54 -1.23 0.00 0.00 174.94 172.12 2b6e n SER 29 N 7.87 1.09 -3.60 3.58 3.41 -0.12 -4.92 113.62 120.92 2b6e n SER 29 Ca 0.17 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.73 2b6e n SER 29 Cb 0.45 1.37 -0.02 0.00 -0.26 0.00 0.00 64.21 65.76 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 -2.81 -1.87 0.12 7.33 0.00 -1.19 -4.99 121.76 118.35 2b6e s ALA 30 Ca -0.07 0.84 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 2b6e s ALA 30 Cb 0.08 0.38 0.06 0.00 0.00 0.00 0.00 23.12 23.64 2b6e s ALA 30 CO 0.68 -0.81 0.53 -0.59 0.00 0.00 0.00 175.76 175.57 2b6e s PHE 31 N -2.96 -0.43 0.00 0.00 -0.71 -1.26 0.09 117.98 112.71 2b6e s PHE 31 Ca 0.09 0.25 0.00 0.00 -1.04 0.00 0.00 56.93 56.23 2b6e s PHE 31 Cb -0.00 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.24 2b6e s PHE 31 CO -0.05 -0.76 0.00 0.41 -1.34 0.00 0.00 175.22 173.48 2b6e n GLY 32 N -0.16 5.43 0.18 1.99 0.00 0.74 -4.98 105.19 108.39 2b6e n GLY 32 Ca -0.17 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 -0.07 1.61 5.08 -2.04 -3.35 114.58 115.81 2b6e h GLU 33 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2b6e h GLU 33 Cb 0.00 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 28.87 2b6e h GLU 33 CO 0.00 0.40 -1.03 -0.40 -1.00 0.00 0.00 179.01 176.98 2b6e n ASP 34 N -4.00 1.02 -3.50 1.42 5.68 -1.26 -1.42 116.55 114.50 2b6e n ASP 34 Ca -0.02 -2.00 -0.15 0.00 -0.50 0.00 0.00 54.79 52.11 2b6e n ASP 34 Cb 0.43 -0.31 -0.05 0.00 -1.14 0.00 0.00 41.12 40.06 2b6e n ASP 34 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 2b6e s TRP 35 N -0.65 -0.58 -0.05 2.11 1.48 -1.26 -4.46 118.94 115.53 2b6e s TRP 35 Ca 0.32 0.76 -0.09 0.00 -1.06 0.00 0.00 56.10 56.03 2b6e s TRP 35 Cb 0.37 0.45 0.02 0.00 -1.16 0.00 0.00 33.47 33.14 2b6e s TRP 35 CO -0.14 -0.69 0.22 -1.50 -4.06 0.00 0.00 176.95 170.77 2b6e s ILE 36 N -2.23 0.03 0.23 0.66 2.07 -1.10 -0.18 121.20 120.68 2b6e s ILE 36 Ca -0.06 -0.27 0.10 0.00 -1.41 0.00 0.00 60.65 59.01 2b6e s ILE 36 Cb -0.00 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 42.14 2b6e s ILE 36 CO 0.01 -0.15 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.10 2b6e s GLU 37 N -0.53 1.46 -0.02 3.50 2.02 0.11 -1.32 118.70 123.92 2b6e s GLU 37 Ca -0.06 -1.63 -0.02 0.00 0.02 0.00 0.00 54.97 53.28 2b6e s GLU 37 Cb -0.04 -1.42 0.01 0.00 0.10 0.00 0.00 34.13 32.78 2b6e s GLU 37 CO 0.01 0.26 0.06 0.00 0.02 0.00 0.00 175.26 175.61 2b6e s ALA 38 N -2.62 -0.14 0.00 5.21 0.00 -0.70 -0.95 121.76 122.57 2b6e s ALA 38 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2b6e s ALA 38 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2b6e s ALA 38 CO 0.10 -0.03 0.00 0.25 0.00 0.00 0.00 175.76 176.08 2b6e n THR 39 N 3.03 0.00 -4.42 0.00 -2.24 0.42 -0.74 114.28 110.33 2b6e n THR 39 Ca -0.12 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.39 2b6e n THR 39 Cb 0.60 -0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.40 1.61 -0.64 -0.78 0.04 -1.26 -1.12 135.00 131.46 2b6e s PRO 41 Ca 0.00 -1.54 -0.11 0.00 0.04 0.00 0.00 61.00 59.39 2b6e s PRO 41 Cb 0.00 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2b6e s PRO 41 CO 0.00 0.39 0.54 0.08 0.04 0.00 0.00 177.00 178.05 2b6e s VAL 42 N -1.83 4.80 0.00 -0.36 1.01 0.20 -4.66 120.40 119.56 2b6e s VAL 42 Ca 0.23 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 60.01 2b6e s VAL 42 Cb -0.07 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2b6e s VAL 42 CO 0.11 -0.90 0.00 -0.90 0.00 0.00 0.00 175.10 173.41 2b6e n ASP 43 N 4.37 0.00 0.17 3.32 5.68 -1.26 -4.56 116.55 124.26 2b6e n ASP 43 Ca 0.02 -0.42 0.19 0.00 -0.50 0.00 0.00 54.79 54.08 2b6e n ASP 43 Cb 0.42 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.19 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 0.42 0.00 0.00 2.11 2.07 -1.98 -0.23 115.15 117.54 2b6e h HIS 44 Ca 0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 2b6e h HIS 44 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 2b6e h HIS 44 CO 0.00 0.00 -0.54 0.00 -3.07 0.00 0.00 177.93 174.32 2b6e h ARG 45 N 0.00 0.00 -1.57 5.12 3.08 -1.94 -3.49 114.38 115.58 2b6e h ARG 45 Ca 0.13 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.63 2b6e h ARG 45 Cb 0.85 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.49 2b6e h ARG 45 CO -0.00 0.54 -0.81 0.25 -1.07 0.00 0.00 179.97 178.88 2b6e n THR 46 N -3.29 2.15 -4.40 2.04 -2.24 -0.10 -4.93 114.28 103.51 2b6e n THR 46 Ca 0.01 -4.72 -0.27 0.00 -2.27 0.00 0.00 64.05 56.81 2b6e n THR 46 Cb 0.72 -0.93 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 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 -3.42 2.08 0.13 -0.78 -0.21 0.62 -0.85 119.66 117.23 2b6e s GLN 48 Ca 0.44 -2.00 0.10 0.00 0.02 0.00 0.00 55.36 53.93 2b6e s GLN 48 Cb 0.39 -1.79 0.52 0.00 1.00 0.00 0.00 33.01 33.13 2b6e s GLN 48 CO -0.14 -0.08 1.31 -0.35 -2.12 0.00 0.00 175.29 173.90 2b6e n PRO 49 N -1.09 0.06 -1.04 2.91 -0.04 -1.26 -2.86 135.00 131.68 2b6e n PRO 49 Ca -0.03 0.53 -0.15 0.00 -0.04 0.00 0.00 63.50 63.81 2b6e n PRO 49 Cb 0.66 -1.69 0.19 0.00 -0.04 0.00 0.00 33.50 32.62 2b6e n PRO 49 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2b6e n PHE 50 N -1.81 2.14 -0.83 0.54 -1.74 -1.26 -4.97 117.46 109.54 2b6e n PHE 50 Ca -0.00 -1.74 0.00 0.00 -0.56 0.00 0.00 57.45 55.15 2b6e n PHE 50 Cb 0.03 -0.74 0.00 0.00 1.52 0.00 0.00 39.48 40.30 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 -1.13 0.91 3.52 4.97 0.00 -1.14 -5.05 105.19 107.27 2b6e n GLY 51 Ca 0.47 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.63 2.81 0.19 1.61 -7.23 -1.26 -4.58 120.40 108.31 2b6e s VAL 52 Ca 0.00 -2.04 -0.33 0.00 -1.81 0.00 0.00 61.98 57.80 2b6e s VAL 52 Cb 0.00 -2.43 -0.14 0.00 0.56 0.00 0.00 36.38 34.36 2b6e s VAL 52 CO 0.00 -0.26 1.41 -0.11 -0.31 0.00 0.00 175.10 175.84 2b6e n LEU 53 N -0.30 2.69 -4.66 1.32 7.94 0.93 -0.28 117.00 124.64 2b6e n LEU 53 Ca -0.08 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.51 2b6e n LEU 53 Cb 0.58 -1.37 -0.02 0.00 0.53 0.00 0.00 43.42 43.14 2b6e n LEU 53 CO 0.36 -0.62 1.16 -2.28 -1.11 0.00 0.00 177.39 174.90 2b6e s HIS 54 N 0.27 2.62 0.35 1.96 5.65 -0.03 -4.63 115.29 121.49 2b6e s HIS 54 Ca 0.74 0.80 0.06 0.00 0.25 0.00 0.00 55.06 56.91 2b6e s HIS 54 Cb -0.72 -3.61 0.73 0.00 -1.18 0.00 0.00 32.58 27.80 2b6e s HIS 54 CO 0.46 -2.26 1.91 0.78 -0.65 0.00 0.00 174.74 174.98 2b6e h GLY 55 N 9.85 1.15 1.08 1.59 0.00 -1.90 -1.84 103.07 113.00 2b6e h GLY 55 Ca -0.30 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 2b6e h GLY 55 CO 0.97 0.18 0.09 -1.33 0.00 0.00 0.00 176.54 176.44 2b6e h GLY 56 N 0.78 1.20 1.80 4.60 0.00 -1.96 -2.50 103.07 106.99 2b6e h GLY 56 Ca 0.39 -0.82 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 2b6e h GLY 56 CO -0.16 0.76 -0.23 -2.08 0.00 0.00 0.00 176.54 174.83 2b6e h VAL 57 N 1.04 1.22 -0.85 4.60 2.07 -1.69 -1.27 116.25 121.36 2b6e h VAL 57 Ca 0.20 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 2b6e h VAL 57 Cb 0.47 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2b6e h VAL 57 CO 0.02 0.32 0.43 0.28 0.02 0.00 0.00 177.57 178.63 2b6e h SER 58 N 0.22 1.10 0.13 0.57 0.02 -0.96 -0.42 113.55 114.21 2b6e h SER 58 Ca 0.04 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2b6e h SER 58 Cb 0.53 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2b6e h SER 58 CO 0.04 0.91 -0.35 0.58 -1.14 0.00 0.00 176.83 176.86 2b6e h VAL 59 N 1.21 1.29 -0.75 2.27 2.07 -1.02 -1.05 116.25 120.26 2b6e h VAL 59 Ca 0.29 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 2b6e h VAL 59 Cb 0.09 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2b6e h VAL 59 CO -0.04 0.43 0.33 0.00 0.02 0.00 0.00 177.57 178.31 2b6e h ALA 60 N 1.36 1.16 -0.37 1.67 0.00 -0.06 0.37 119.26 123.40 2b6e h ALA 60 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2b6e h ALA 60 Cb 0.75 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2b6e h ALA 60 CO 0.06 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.99 2b6e h LEU 61 N 1.08 0.80 -0.47 0.00 5.85 -0.64 -1.86 115.31 120.07 2b6e h LEU 61 Ca 0.26 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2b6e h LEU 61 Cb 0.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2b6e h LEU 61 CO -0.03 1.03 0.24 0.00 -0.34 0.00 0.00 178.44 179.35 2b6e h ALA 62 N 0.79 0.60 -0.23 1.25 0.00 -0.69 -1.90 119.26 119.09 2b6e h ALA 62 Ca 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2b6e h ALA 62 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2b6e h ALA 62 CO 0.06 0.14 -0.19 1.49 0.00 0.00 0.00 179.25 180.75 2b6e h GLU 63 N 0.62 0.41 0.73 0.00 4.81 -0.90 -1.25 114.58 118.99 2b6e h GLU 63 Ca 0.16 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2b6e h GLU 63 Cb 0.08 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2b6e h GLU 63 CO -0.02 0.59 -0.35 1.15 -0.73 0.00 0.00 179.01 179.65 2b6e h THR 64 N 0.38 0.23 -0.19 0.32 2.02 -0.85 -1.54 112.91 113.28 2b6e h THR 64 Ca 0.06 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 2b6e h THR 64 Cb 0.55 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2b6e h THR 64 CO 0.04 0.01 -0.37 -0.29 0.37 0.00 0.00 175.52 175.28 2b6e h ILE 65 N -1.07 1.30 -0.30 3.11 6.09 -1.33 -1.85 117.51 123.45 2b6e h ILE 65 Ca -0.10 -1.48 -0.08 0.00 -1.37 0.00 0.00 64.86 61.84 2b6e h ILE 65 Cb 0.77 1.55 -0.01 0.00 0.47 0.00 0.00 36.82 39.60 2b6e h ILE 65 CO 0.16 0.46 -0.11 1.23 -3.07 0.00 0.00 178.15 176.82 2b6e h GLY 66 N 1.11 0.66 1.00 8.18 0.00 -1.26 -1.27 103.07 111.49 2b6e h GLY 66 Ca 0.04 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 2b6e h GLY 66 CO 0.07 0.52 0.02 1.76 0.00 0.00 0.00 176.54 178.90 2b6e h SER 67 N 0.36 0.84 -0.10 0.19 0.02 -1.22 -1.68 113.55 111.97 2b6e h SER 67 Ca 0.07 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2b6e h SER 67 Cb 0.62 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2b6e h SER 67 CO 0.04 0.93 0.06 0.25 -1.14 0.00 0.00 176.83 176.98 2b6e h LEU 68 N 0.73 0.12 -0.60 5.07 5.85 -1.30 -1.77 115.31 123.41 2b6e h LEU 68 Ca 0.14 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2b6e h LEU 68 Cb 0.49 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2b6e h LEU 68 CO 0.02 0.13 0.25 0.00 -0.34 0.00 0.00 178.44 178.50 2b6e h ALA 69 N 1.00 0.78 -0.67 1.25 0.00 -1.10 -1.78 119.26 118.75 2b6e h ALA 69 Ca 0.04 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2b6e h ALA 69 Cb 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2b6e h ALA 69 CO -0.01 -0.15 0.18 0.78 0.00 0.00 0.00 179.25 180.05 2b6e h GLY 70 N 0.45 1.12 2.00 0.00 0.00 -1.05 -2.52 103.07 103.08 2b6e h GLY 70 Ca 0.30 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2b6e h GLY 70 CO -0.27 0.62 -0.34 1.48 0.00 0.00 0.00 176.54 178.03 2b6e h SER 71 N 1.00 0.00 0.82 0.19 4.64 -0.63 -2.26 113.55 117.31 2b6e h SER 71 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2b6e h SER 71 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2b6e h SER 71 CO -0.00 0.34 0.00 0.18 -0.87 0.00 0.00 176.83 176.48 2b6e n LEU 72 N -4.02 0.00 -1.47 5.97 4.77 -0.73 -3.10 117.00 118.42 2b6e n LEU 72 Ca -0.02 0.44 0.08 0.00 -0.03 0.00 0.00 56.01 56.49 2b6e n LEU 72 Cb 0.39 -0.44 0.32 0.00 -2.33 0.00 0.00 43.42 41.36 2b6e n LEU 72 CO 0.38 -0.03 0.77 0.00 -1.33 0.00 0.00 177.39 177.18 2b6e s LEU 74 N -1.71 2.30 0.68 0.00 1.43 -1.18 -4.63 118.68 115.57 2b6e s LEU 74 Ca 0.46 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2b6e s LEU 74 Cb 0.30 -0.82 -0.00 0.00 0.03 0.00 0.00 46.19 45.70 2b6e s LEU 74 CO 0.22 0.03 1.06 -1.61 0.23 0.00 0.00 176.35 176.28 2b6e s GLU 75 N -1.90 3.06 0.46 1.70 2.02 -1.26 -4.13 118.70 118.65 2b6e s GLU 75 Ca 0.05 0.70 -0.22 0.00 0.02 0.00 0.00 54.97 55.52 2b6e s GLU 75 Cb -0.10 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 32.01 2b6e s GLU 75 CO 0.04 -0.95 0.82 0.39 0.02 0.00 0.00 175.26 175.59 2b6e n GLU 76 N -2.99 0.98 -0.07 1.61 -0.58 -1.26 -2.22 120.64 116.10 2b6e n GLU 76 Ca 0.07 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 2b6e n GLU 76 Cb 0.55 -1.87 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2b6e n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b6e n GLY 77 N 1.43 0.53 3.07 0.62 0.00 -1.26 -5.04 105.19 104.53 2b6e n GLY 77 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.84 0.54 0.24 1.61 1.02 -0.94 -1.47 119.74 119.90 2b6e s LYS 78 Ca 0.00 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 2b6e s LYS 78 Cb 0.00 -0.29 0.01 0.00 -0.52 0.00 0.00 37.83 37.03 2b6e s LYS 78 CO 0.00 0.05 0.36 -2.37 -0.92 0.00 0.00 175.35 172.47 2b6e n THR 79 N 1.41 0.00 -4.39 2.17 5.66 -0.62 -4.75 114.28 113.76 2b6e n THR 79 Ca -0.22 -1.14 -0.21 0.00 -3.05 0.00 0.00 64.05 59.43 2b6e n THR 79 Cb 0.55 0.74 -0.10 0.00 -1.55 0.00 0.00 70.33 69.97 2b6e n THR 79 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2b6e s VAL 80 N -2.65 2.02 -0.04 1.08 -7.23 -1.26 -0.23 120.40 112.08 2b6e s VAL 80 Ca 0.19 -2.24 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 2b6e s VAL 80 Cb -0.01 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.84 2b6e s VAL 80 CO 0.13 -0.48 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.70 2b6e s VAL 81 N -2.67 0.54 0.03 1.32 1.01 -0.83 -4.93 120.40 114.87 2b6e s VAL 81 Ca 0.24 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2b6e s VAL 81 Cb -0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.72 2b6e s VAL 81 CO 0.10 0.22 1.56 -0.83 0.00 0.00 0.00 175.10 176.15 2b6e s GLY 82 N 0.86 1.66 -0.25 4.51 0.00 -1.26 -1.64 107.32 111.21 2b6e s GLY 82 Ca -0.12 1.07 -0.17 0.00 0.00 0.00 0.00 44.72 45.49 2b6e s GLY 82 CO 0.00 2.76 -0.10 1.04 0.00 0.00 0.00 173.10 176.81 2b6e n LEU 83 N 5.64 1.91 -3.46 0.66 4.32 -0.20 -4.94 117.00 120.94 2b6e n LEU 83 Ca 0.15 0.38 -0.11 0.00 -0.02 0.00 0.00 56.01 56.41 2b6e n LEU 83 Cb 0.42 -0.89 -0.02 0.00 -1.62 0.00 0.00 43.42 41.31 2b6e n LEU 83 CO 0.61 0.43 0.47 1.51 -1.22 0.00 0.00 177.39 179.19 2b6e s ASP 84 N -7.19 -0.51 -0.02 -1.43 1.47 -1.16 -5.02 116.67 102.82 2b6e s ASP 84 Ca -0.34 -0.03 -0.18 0.00 1.18 0.00 0.00 52.55 53.19 2b6e s ASP 84 Cb 0.11 0.56 0.03 0.00 -0.34 0.00 0.00 42.92 43.27 2b6e s ASP 84 CO 0.53 -0.91 0.37 -0.51 0.68 0.00 0.00 175.17 175.34 2b6e s ILE 85 N -3.61 0.05 0.07 2.11 2.07 -1.26 -0.86 121.20 119.77 2b6e s ILE 85 Ca 0.02 -0.41 -0.01 0.00 -1.41 0.00 0.00 60.65 58.84 2b6e s ILE 85 Cb -0.01 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.84 2b6e s ILE 85 CO -0.11 -0.22 0.00 0.54 -1.91 0.00 0.00 174.94 173.24 2b6e s ASN 86 N -1.36 0.42 -0.09 4.50 2.20 -0.75 -5.00 114.94 114.87 2b6e s ASN 86 Ca -0.13 -1.04 -0.30 0.00 -0.94 0.00 0.00 52.86 50.45 2b6e s ASN 86 Cb -0.04 0.23 0.09 0.00 -2.00 0.00 0.00 41.25 39.54 2b6e s ASN 86 CO 0.05 -0.64 0.82 0.00 -2.94 0.00 0.00 177.10 174.38 2b6e s ALA 87 N -3.95 -1.83 -0.11 3.54 0.00 -1.26 -1.88 121.76 116.26 2b6e s ALA 87 Ca 0.12 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.49 2b6e s ALA 87 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2b6e s ALA 87 CO -0.07 -0.37 -0.20 -0.80 0.00 0.00 0.00 175.76 174.32 2b6e s ASN 88 N -1.26 3.46 -0.24 0.00 -0.87 -0.31 -4.99 114.94 110.74 2b6e s ASN 88 Ca -0.06 -0.47 -0.18 0.00 -1.57 0.00 0.00 52.86 50.59 2b6e s ASN 88 Cb -0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.25 39.71 2b6e s ASN 88 CO 0.05 0.16 0.49 -1.00 -2.57 0.00 0.00 177.10 174.24 2b6e s HIS 89 N 0.33 3.31 -0.16 2.20 3.76 -1.26 -2.41 115.29 121.07 2b6e s HIS 89 Ca -0.16 0.66 0.18 0.00 -0.15 0.00 0.00 55.06 55.59 2b6e s HIS 89 Cb -0.17 -2.67 -0.25 0.00 1.11 0.00 0.00 32.58 30.59 2b6e s HIS 89 CO 0.08 -0.19 0.23 1.28 -0.85 0.00 0.00 174.74 175.28 2b6e n LEU 90 N 5.18 0.13 -3.54 0.89 4.77 -0.18 -5.00 117.00 119.25 2b6e n LEU 90 Ca -0.05 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 2b6e n LEU 90 Cb 0.50 0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.92 2b6e n LEU 90 CO 0.40 0.40 0.64 0.00 -1.33 0.00 0.00 177.39 177.50 2b6e s ARG 91 N -2.68 0.81 0.53 3.23 1.70 -1.22 -5.01 118.95 116.31 2b6e s ARG 91 Ca -0.09 0.07 -0.18 0.00 -0.47 0.00 0.00 55.73 55.06 2b6e s ARG 91 Cb 0.07 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.77 2b6e s ARG 91 CO 0.84 -0.28 1.05 -1.25 -1.08 0.00 0.00 175.30 174.58 2b6e s PRO 92 N -1.63 3.59 -0.07 3.89 0.04 -1.26 -4.82 135.00 134.75 2b6e s PRO 92 Ca -0.03 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.33 2b6e s PRO 92 Cb -0.00 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2b6e s PRO 92 CO 0.01 -0.60 -0.11 0.08 0.04 0.00 0.00 177.00 176.43 2b6e s VAL 93 N -2.16 1.03 -0.00 -0.36 1.01 -1.26 -5.01 120.40 113.64 2b6e s VAL 93 Ca 0.66 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2b6e s VAL 93 Cb -0.17 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2b6e s VAL 93 CO 0.27 0.33 0.46 -2.11 0.00 0.00 0.00 175.10 174.05 2b6e n ARG 94 N 3.94 -0.29 -3.90 2.72 0.00 -1.26 -0.05 116.66 117.82 2b6e n ARG 94 Ca -0.22 -0.46 -0.08 0.00 -0.00 0.00 0.00 57.85 57.09 2b6e n ARG 94 Cb 0.51 -0.96 -0.03 0.00 -0.00 0.00 0.00 32.46 31.99 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 -0.09 -0.19 0.65 2.89 1.04 -1.26 -4.91 113.70 111.83 2b6e s SER 95 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2b6e s SER 95 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2b6e s SER 95 CO 0.00 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.53 2b6e n GLY 96 N -0.44 0.37 3.27 7.32 0.00 -1.26 -4.77 105.19 109.67 2b6e n GLY 96 Ca -0.03 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 1.10 0.16 1.61 -2.85 -1.26 -0.62 119.74 117.87 2b6e s LYS 97 Ca 0.00 -1.32 0.05 0.00 -1.00 0.00 0.00 55.97 53.69 2b6e s LYS 97 Cb 0.00 -0.97 -0.04 0.00 -2.06 0.00 0.00 37.83 34.77 2b6e s LYS 97 CO 0.00 0.18 0.16 0.14 0.10 0.00 0.00 175.35 175.93 2b6e s VAL 98 N -2.33 4.63 -0.13 1.79 -7.23 -1.26 -3.41 120.40 112.46 2b6e s VAL 98 Ca 0.12 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 2b6e s VAL 98 Cb -0.04 -3.36 0.01 0.00 0.56 0.00 0.00 36.38 33.55 2b6e s VAL 98 CO 0.04 -0.10 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.65 2b6e s THR 99 N -1.74 1.79 -0.19 5.32 2.01 -0.10 -4.30 115.64 118.43 2b6e s THR 99 Ca 0.31 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 2b6e s THR 99 Cb -0.10 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2b6e s THR 99 CO 0.24 0.50 0.02 0.00 -0.69 0.00 0.00 174.62 174.69 2b6e s ALA 100 N 0.91 3.17 -0.19 7.40 0.00 0.08 -1.00 121.76 132.12 2b6e s ALA 100 Ca -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2b6e s ALA 100 Cb -0.15 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 2b6e s ALA 100 CO -0.02 -0.01 -0.09 0.50 0.00 0.00 0.00 175.76 176.14 2b6e s ARG 101 N 0.74 3.32 -0.21 0.00 3.52 -0.17 -1.71 118.95 124.43 2b6e s ARG 101 Ca 0.01 -0.67 -0.12 0.00 -0.13 0.00 0.00 55.73 54.82 2b6e s ARG 101 Cb -0.14 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 2b6e s ARG 101 CO 0.02 -0.08 0.23 0.00 -0.81 0.00 0.00 175.30 174.66 2b6e s ALA 102 N 1.11 3.61 0.01 6.12 0.00 -0.43 -2.27 121.76 129.92 2b6e s ALA 102 Ca 0.01 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2b6e s ALA 102 Cb -0.14 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 2b6e s ALA 102 CO -0.02 -0.08 -0.12 0.95 0.00 0.00 0.00 175.76 176.48 2b6e s THR 103 N 0.85 0.93 0.30 0.00 -4.23 -0.21 -2.69 115.64 110.59 2b6e s THR 103 Ca 0.12 -0.71 -0.28 0.00 -1.18 0.00 0.00 61.69 59.63 2b6e s THR 103 Cb -0.13 -0.82 -0.09 0.00 1.34 0.00 0.00 72.50 72.80 2b6e s THR 103 CO 0.04 0.11 1.07 -2.16 -0.54 0.00 0.00 174.62 173.13 2b6e s PRO 104 N -0.68 4.57 -0.24 3.99 0.04 -1.26 -0.54 135.00 140.87 2b6e s PRO 104 Ca 0.02 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 2b6e s PRO 104 Cb -0.06 -3.06 -0.13 0.00 0.04 0.00 0.00 34.50 31.29 2b6e s PRO 104 CO 0.00 0.17 -0.25 -0.89 0.04 0.00 0.00 177.00 176.07 2b6e n ILE 105 N 0.96 1.34 -3.64 0.56 5.41 -0.00 -4.82 119.36 119.16 2b6e n ILE 105 Ca 0.00 -0.44 -0.05 0.00 1.00 0.00 0.00 62.75 63.26 2b6e n ILE 105 Cb 0.46 -1.54 -0.06 0.00 -0.71 0.00 0.00 39.64 37.78 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 -6.67 -0.96 -0.57 4.38 3.84 -0.96 -4.98 114.94 109.02 2b6e s ASN 106 Ca -0.33 1.47 -0.03 0.00 0.21 0.00 0.00 52.86 54.18 2b6e s ASN 106 Cb 0.10 1.59 0.15 0.00 -0.55 0.00 0.00 41.25 42.54 2b6e s ASN 106 CO 0.49 -0.23 0.38 -0.76 -2.79 0.00 0.00 177.10 174.20 2b6e s LEU 107 N 1.92 5.28 0.70 3.21 1.43 -1.26 -0.58 118.68 129.38 2b6e s LEU 107 Ca -0.09 -2.62 -0.00 0.00 -1.03 0.00 0.00 54.13 50.39 2b6e s LEU 107 Cb -0.07 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 44.41 2b6e s LEU 107 CO -0.19 -0.43 0.97 -0.83 0.23 0.00 0.00 176.35 176.10 2b6e s GLY 108 N 1.06 1.76 0.29 -3.19 0.00 0.72 -5.00 107.32 102.97 2b6e s GLY 108 Ca 0.14 -1.71 0.09 0.00 0.00 0.00 0.00 44.72 43.24 2b6e s GLY 108 CO -0.04 -1.17 1.66 3.21 0.00 0.00 0.00 173.10 176.76 2b6e h ARG 109 N -0.46 0.09 0.00 2.90 3.08 -2.00 -3.35 114.38 114.64 2b6e h ARG 109 Ca -0.37 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 2b6e h ARG 109 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 2b6e h ARG 109 CO 0.41 0.60 -1.26 0.09 -1.07 0.00 0.00 179.97 178.74 2b6e n ASN 110 N -3.91 3.79 -3.91 7.04 3.02 -1.26 -4.74 115.26 115.29 2b6e n ASN 110 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.41 2b6e n ASN 110 Cb 0.55 1.12 -0.14 0.00 -0.61 0.00 0.00 39.78 40.71 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 -2.32 0.15 0.02 2.41 -1.09 -1.26 -0.50 121.20 118.61 2b6e s ILE 111 Ca -0.02 -0.19 0.08 0.00 -2.23 0.00 0.00 60.65 58.29 2b6e s ILE 111 Cb 0.03 -0.16 -0.02 0.00 -1.58 0.00 0.00 42.46 40.73 2b6e s ILE 111 CO 0.22 -0.03 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.57 2b6e s GLN 112 N -0.23 1.72 -0.11 2.79 -0.21 -0.03 -0.20 119.66 123.39 2b6e s GLN 112 Ca -0.01 -0.93 0.01 0.00 0.02 0.00 0.00 55.36 54.45 2b6e s GLN 112 Cb -0.02 -1.77 0.02 0.00 1.00 0.00 0.00 33.01 32.24 2b6e s GLN 112 CO -0.00 0.47 -0.15 0.08 -2.12 0.00 0.00 175.29 173.57 2b6e s VAL 113 N -0.68 1.48 0.06 1.09 1.01 0.25 -0.28 120.40 123.33 2b6e s VAL 113 Ca 0.09 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.54 2b6e s VAL 113 Cb -0.09 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2b6e s VAL 113 CO 0.01 0.44 -0.24 0.26 0.00 0.00 0.00 175.10 175.56 2b6e s TRP 114 N 1.09 2.39 -0.15 5.22 0.52 0.20 -0.82 118.94 127.40 2b6e s TRP 114 Ca -0.04 -0.36 -0.06 0.00 0.02 0.00 0.00 56.10 55.65 2b6e s TRP 114 Cb -0.14 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 2b6e s TRP 114 CO -0.03 0.21 0.07 -1.14 0.02 0.00 0.00 176.95 176.08 2b6e s GLN 115 N -1.49 3.68 -0.15 4.98 0.74 0.30 -1.07 119.66 126.65 2b6e s GLN 115 Ca 0.13 -0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.23 2b6e s GLN 115 Cb -0.10 -3.14 0.05 0.00 1.10 0.00 0.00 33.01 30.91 2b6e s GLN 115 CO 0.04 0.48 0.00 0.42 -0.55 0.00 0.00 175.29 175.68 2b6e s ILE 116 N -0.20 0.65 -0.10 -2.34 1.09 -0.17 -1.04 121.20 119.09 2b6e s ILE 116 Ca 0.08 -0.39 -0.01 0.00 -1.10 0.00 0.00 60.65 59.24 2b6e s ILE 116 Cb -0.12 -0.96 -0.03 0.00 -1.06 0.00 0.00 42.46 40.29 2b6e s ILE 116 CO 0.01 0.02 -0.06 -1.81 -0.10 0.00 0.00 174.94 173.00 2b6e s ASP 117 N 1.83 4.67 -0.14 3.58 1.01 -0.96 -0.72 116.67 125.94 2b6e s ASP 117 Ca 0.01 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.20 2b6e s ASP 117 Cb -0.15 -1.40 -0.01 0.00 1.01 0.00 0.00 42.92 42.37 2b6e s ASP 117 CO -0.07 0.29 -0.14 -0.63 0.21 0.00 0.00 175.17 174.83 2b6e s ILE 118 N -0.39 2.93 0.18 0.77 1.01 0.19 -1.00 121.20 124.88 2b6e s ILE 118 Ca 0.06 -0.70 0.11 0.00 0.00 0.00 0.00 60.65 60.12 2b6e s ILE 118 Cb -0.12 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2b6e s ILE 118 CO 0.02 0.52 -0.23 -0.13 0.00 0.00 0.00 174.94 175.12 2b6e s ARG 119 N 0.50 1.45 0.81 2.79 0.52 -0.17 -0.79 118.95 124.05 2b6e s ARG 119 Ca -0.09 -1.47 -0.09 0.00 -0.52 0.00 0.00 55.73 53.55 2b6e s ARG 119 Cb -0.16 -1.74 0.13 0.00 0.52 0.00 0.00 34.95 33.70 2b6e s ARG 119 CO 0.04 0.38 1.14 0.95 0.02 0.00 0.00 175.30 177.83 2b6e s THR 120 N -1.66 2.12 -0.43 0.02 -4.23 0.57 -0.92 115.64 111.10 2b6e s THR 120 Ca 0.19 -0.22 0.21 0.00 -1.18 0.00 0.00 61.69 60.69 2b6e s THR 120 Cb -0.08 -2.90 0.22 0.00 1.34 0.00 0.00 72.50 71.08 2b6e s THR 120 CO 0.09 0.00 1.65 -1.84 -0.54 0.00 0.00 174.62 173.98 2b6e n GLU 121 N -3.25 0.16 -0.17 3.99 0.28 -1.22 -0.39 120.64 120.04 2b6e n GLU 121 Ca 0.12 0.49 0.07 0.00 -0.16 0.00 0.00 57.16 57.69 2b6e n GLU 121 Cb 0.60 -1.87 0.22 0.00 1.43 0.00 0.00 31.44 31.82 2b6e n GLU 121 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2b6e n GLU 122 N -2.18 1.88 -1.68 3.44 -0.58 -1.26 -4.89 120.64 115.37 2b6e n GLU 122 Ca 0.01 -1.36 -0.15 0.00 -0.42 0.00 0.00 57.16 55.24 2b6e n GLU 122 Cb 0.15 -1.33 -0.05 0.00 -0.57 0.00 0.00 31.44 29.65 2b6e n GLU 122 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2b6e n ASN 123 N 0.60 -4.67 -4.85 1.62 5.15 0.47 -5.00 115.26 108.58 2b6e n ASN 123 Ca 0.14 0.25 -0.37 0.00 -0.60 0.00 0.00 54.58 53.99 2b6e n ASN 123 Cb 0.34 -3.56 -0.06 0.00 -0.53 0.00 0.00 39.78 35.96 2b6e n ASN 123 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2b6e s LYS 124 N -3.69 3.76 -0.18 1.20 1.02 -1.25 -4.78 119.74 115.81 2b6e s LYS 124 Ca 0.00 0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.92 2b6e s LYS 124 Cb 0.00 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2b6e s LYS 124 CO 0.00 0.71 1.31 -1.17 -0.92 0.00 0.00 175.35 175.28 2b6e s LEU 125 N -1.15 4.13 -0.01 3.17 2.96 -1.26 -0.32 118.68 126.20 2b6e s LEU 125 Ca 0.22 1.65 0.10 0.00 -0.22 0.00 0.00 54.13 55.88 2b6e s LEU 125 Cb -0.15 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.86 2b6e s LEU 125 CO 0.11 -0.84 0.24 0.00 -1.32 0.00 0.00 176.35 174.54 2b6e s VAL 128 N 0.05 1.26 0.03 0.00 -7.23 -1.01 -0.64 120.40 112.87 2b6e s VAL 128 Ca -0.02 -0.62 -0.04 0.00 -1.81 0.00 0.00 61.98 59.49 2b6e s VAL 128 Cb -0.04 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 2b6e s VAL 128 CO 0.02 0.37 0.05 -0.55 -0.31 0.00 0.00 175.10 174.68 2b6e s SER 129 N 0.11 0.23 -0.04 4.85 0.15 0.10 -1.16 113.70 117.94 2b6e s SER 129 Ca -0.04 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.06 2b6e s SER 129 Cb -0.11 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2b6e s SER 129 CO 0.02 -0.46 -0.10 -0.60 1.20 0.00 0.00 173.24 173.30 2b6e s ARG 130 N -2.45 1.13 -0.05 5.44 3.52 -0.79 -1.00 118.95 124.75 2b6e s ARG 130 Ca -0.06 -0.32 0.06 0.00 -0.13 0.00 0.00 55.73 55.28 2b6e s ARG 130 Cb -0.02 -1.03 -0.01 0.00 -1.56 0.00 0.00 34.95 32.33 2b6e s ARG 130 CO -0.04 0.08 -0.24 -1.17 -0.81 0.00 0.00 175.30 173.11 2b6e s LEU 131 N 0.37 2.05 -0.18 -0.88 2.96 -0.23 -1.82 118.68 120.96 2b6e s LEU 131 Ca -0.07 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.32 2b6e s LEU 131 Cb -0.11 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 2b6e s LEU 131 CO 0.01 0.24 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.34 2b6e s THR 132 N -0.18 3.49 0.04 3.68 2.01 -0.04 -0.62 115.64 124.01 2b6e s THR 132 Ca -0.03 -0.48 0.09 0.00 0.31 0.00 0.00 61.69 61.59 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 0.47 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.41 2b6e s LEU 133 N 0.84 2.16 -0.17 4.42 1.43 0.61 -1.03 118.68 126.95 2b6e s LEU 133 Ca -0.02 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 2b6e s LEU 133 Cb -0.15 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 2b6e s LEU 133 CO 0.01 0.26 0.23 -0.55 0.23 0.00 0.00 176.35 176.53 2b6e s SER 134 N -1.21 6.36 -0.20 2.29 0.15 -0.65 -0.85 113.70 119.59 2b6e s SER 134 Ca 0.12 0.42 -0.24 0.00 0.70 0.00 0.00 55.95 56.95 2b6e s SER 134 Cb -0.10 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 2b6e s SER 134 CO 0.02 0.14 0.77 -0.69 1.20 0.00 0.00 173.24 174.68 2b6e s VAL 135 N 0.35 4.91 -0.14 4.45 1.01 0.34 -1.97 120.40 129.35 2b6e s VAL 135 Ca 0.14 1.47 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 2b6e s VAL 135 Cb -0.12 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2b6e s VAL 135 CO 0.02 0.03 -0.04 -0.63 0.00 0.00 0.00 175.10 174.48 2b6e s ILE 136 N 2.26 3.92 -0.58 2.22 -1.09 0.68 -4.83 121.20 123.77 2b6e s ILE 136 Ca 0.34 -0.35 -0.21 0.00 -2.23 0.00 0.00 60.65 58.20 2b6e s ILE 136 Cb -0.16 -2.71 0.07 0.00 -1.58 0.00 0.00 42.46 38.08 2b6e s ILE 136 CO 0.10 0.51 0.81 0.20 -1.23 0.00 0.00 174.94 175.33 2b6e s ASN 137 N 0.19 6.22 0.31 3.58 0.01 -1.26 -1.58 114.94 122.41 2b6e s ASN 137 Ca -0.02 -0.96 0.08 0.00 -0.71 0.00 0.00 52.86 51.25 2b6e s ASN 137 Cb -0.14 -2.36 0.87 0.00 0.41 0.00 0.00 41.25 40.04 2b6e s ASN 137 CO 0.03 -1.18 1.68 -0.07 -1.51 0.00 0.00 177.10 176.04 2b6e h LEU 138 N 10.53 0.35 -0.08 0.60 3.38 -1.62 0.24 115.31 128.72 2b6e h LEU 138 Ca -0.28 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2b6e h LEU 138 Cb 1.08 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2b6e h LEU 138 CO 1.09 -0.08 0.03 0.25 0.09 0.00 0.00 178.44 179.82 2b6e h LEU 139 N 0.35 0.11 -0.57 1.67 5.85 -1.92 -0.80 115.31 119.98 2b6e h LEU 139 Ca 0.63 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 59.12 2b6e h LEU 139 Cb 1.32 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2b6e h LEU 139 CO -0.58 0.25 0.12 -0.08 -0.34 0.00 0.00 178.44 177.81 2b6e h GLU 140 N -0.05 0.93 -0.78 1.25 4.81 -1.53 -2.03 114.58 117.19 2b6e h GLU 140 Ca 0.02 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2b6e h GLU 140 Cb 0.18 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2b6e h GLU 140 CO -0.00 0.87 0.40 1.25 -0.73 0.00 0.00 179.01 180.80 2b6e h HIS 141 N 0.83 1.09 -0.50 0.92 2.76 -0.46 -2.55 115.15 117.24 2b6e h HIS 141 Ca 0.18 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 2b6e h HIS 141 Cb 0.37 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2b6e h HIS 141 CO 0.03 0.78 0.09 1.25 -1.30 0.00 0.00 177.93 178.78 2b6e h HIS 142 N 1.08 0.87 0.00 5.26 -0.00 -0.96 -0.70 115.15 120.71 2b6e h HIS 142 Ca 0.27 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 2b6e h HIS 142 Cb 0.08 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.25 2b6e h HIS 142 CO 0.01 0.79 -0.02 0.45 -0.00 0.00 0.00 177.93 179.15 2b6e h HIS 143 N 0.70 0.00 -0.07 5.26 -0.00 -1.03 1.25 115.15 121.26 2b6e h HIS 143 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2b6e h HIS 143 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 2b6e h HIS 143 CO 0.03 0.02 0.00 0.72 -0.00 0.00 0.00 177.93 178.70 2b6e n HIS 144 N -3.38 0.08 0.00 2.45 -0.00 -0.99 -4.73 115.22 108.66 2b6e n HIS 144 Ca -0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 2b6e n HIS 144 Cb 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 2b6e n HIS 144 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2b6e n HIS 145 N 0.52 0.00 -0.71 4.41 8.25 -0.30 -5.07 115.22 122.32 2b6e n HIS 145 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2b6e n HIS 145 Cb 0.28 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2b6e n HIS 145 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56