#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 2.51 -0.18 1.96 0.52 -1.26 -4.78 118.94 117.71 2b6e s TRP 3 Ca 0.00 1.40 0.05 0.00 0.02 0.00 0.00 56.10 57.57 2b6e s TRP 3 Cb 0.00 -3.71 -0.06 0.00 -1.15 0.00 0.00 33.47 28.55 2b6e s TRP 3 CO 0.00 -2.49 0.19 1.63 0.02 0.00 0.00 176.95 176.31 2b6e n LYS 4 N -0.64 3.92 -4.15 4.98 5.02 0.01 -4.98 118.16 122.33 2b6e n LYS 4 Ca 0.08 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.09 2b6e n LYS 4 Cb 0.45 -0.85 -0.07 0.00 -0.02 0.00 0.00 35.03 34.54 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 -1.72 2.59 -0.03 1.97 1.02 -1.11 -4.79 119.74 117.67 2b6e s LYS 5 Ca 0.01 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 54.91 2b6e s LYS 5 Cb 0.04 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 2b6e s LYS 5 CO 0.21 0.48 0.29 -0.08 -0.92 0.00 0.00 175.35 175.33 2b6e s THR 6 N -1.69 5.25 0.23 2.17 -1.32 -1.26 -5.02 115.64 114.00 2b6e s THR 6 Ca 0.28 0.43 -0.22 0.00 -1.21 0.00 0.00 61.69 60.97 2b6e s THR 6 Cb -0.10 -3.57 0.04 0.00 -1.51 0.00 0.00 72.50 67.36 2b6e s THR 6 CO 0.20 0.50 0.76 0.72 -2.21 0.00 0.00 174.62 174.60 2b6e s PHE 7 N -1.16 -0.23 0.05 9.09 -0.12 -1.26 -5.14 117.98 119.21 2b6e s PHE 7 Ca 0.23 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.00 2b6e s PHE 7 Cb -0.14 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 2b6e s PHE 7 CO 0.12 -1.07 -0.10 0.95 -0.05 0.00 0.00 175.22 175.06 2b6e s THR 8 N -3.73 0.75 0.44 -4.49 -4.23 -1.26 -5.04 115.64 98.08 2b6e s THR 8 Ca 0.10 -1.10 0.10 0.00 -1.18 0.00 0.00 61.69 59.61 2b6e s THR 8 Cb -0.04 -0.77 0.24 0.00 1.34 0.00 0.00 72.50 73.28 2b6e s THR 8 CO 0.03 -0.28 2.06 -0.07 -0.54 0.00 0.00 174.62 175.81 2b6e h LEU 9 N 4.55 0.28 -0.63 4.79 3.38 -2.00 -1.54 115.31 124.14 2b6e h LEU 9 Ca -0.37 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 2b6e h LEU 9 Cb 1.20 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2b6e h LEU 9 CO 0.41 0.25 0.14 -0.33 0.09 0.00 0.00 178.44 179.00 2b6e h GLU 10 N 0.32 1.02 -0.39 1.13 5.08 -1.96 -1.73 114.58 118.05 2b6e h GLU 10 Ca 0.08 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2b6e h GLU 10 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2b6e h GLU 10 CO -0.01 0.93 0.06 -0.91 -1.00 0.00 0.00 179.01 178.08 2b6e h ASN 11 N 0.94 0.62 -0.74 1.42 -0.26 -1.73 -0.72 115.58 115.10 2b6e h ASN 11 Ca 0.20 -0.26 -0.05 0.00 -0.56 0.00 0.00 56.30 55.63 2b6e h ASN 11 Cb 0.37 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 2b6e h ASN 11 CO 0.00 0.72 0.27 -0.07 -1.06 0.00 0.00 177.43 177.30 2b6e h LEU 12 N 0.49 1.05 -0.73 1.61 3.38 -1.20 -0.52 115.31 119.38 2b6e h LEU 12 Ca 0.12 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2b6e h LEU 12 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2b6e h LEU 12 CO 0.01 0.95 -0.16 0.78 0.09 0.00 0.00 178.44 180.11 2b6e h ASN 13 N 1.08 0.80 -0.41 -0.43 2.35 -1.19 -1.97 115.58 115.82 2b6e h ASN 13 Ca 0.24 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2b6e h ASN 13 Cb 0.25 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2b6e h ASN 13 CO -0.01 0.96 0.26 -0.61 -1.65 0.00 0.00 177.43 176.38 2b6e h GLN 14 N 0.71 0.54 -0.45 0.81 4.15 -0.66 -2.15 115.11 118.06 2b6e h GLN 14 Ca 0.11 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.50 2b6e h GLN 14 Cb 0.67 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 2b6e h GLN 14 CO 0.05 0.37 0.30 1.25 -1.93 0.00 0.00 178.83 178.87 2b6e h LEU 15 N 0.55 0.49 -0.32 -2.39 5.85 -0.80 -2.05 115.31 116.65 2b6e h LEU 15 Ca 0.15 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2b6e h LEU 15 Cb -0.04 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2b6e h LEU 15 CO -0.03 0.35 -0.08 0.00 -0.34 0.00 0.00 178.44 178.34 2b6e s SER 17 N -2.32 3.48 -1.26 0.00 1.04 -0.77 -3.50 113.70 110.37 2b6e s SER 17 Ca 0.34 2.22 -0.20 0.00 0.48 0.00 0.00 55.95 58.78 2b6e s SER 17 Cb 0.20 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.77 2b6e s SER 17 CO 0.43 -2.73 0.59 -3.20 0.98 0.00 0.00 173.24 169.31 2b6e n ASN 18 N -3.67 -3.23 -2.14 7.02 5.15 -1.26 -4.91 115.26 112.21 2b6e n ASN 18 Ca 0.12 -1.15 -0.07 0.00 -0.60 0.00 0.00 54.58 52.88 2b6e n ASN 18 Cb 0.51 -2.51 0.00 0.00 -0.53 0.00 0.00 39.78 37.26 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 -2.57 -1.15 0.11 1.20 3.41 -1.25 -5.02 113.62 108.35 2b6e n SER 19 Ca -0.17 -2.05 0.03 0.00 -0.26 0.00 0.00 58.87 56.43 2b6e n SER 19 Cb 0.61 1.99 0.43 0.00 -0.26 0.00 0.00 64.21 66.98 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 1.92 1.61 0.70 7.33 0.00 -1.92 -0.76 119.26 128.12 2b6e h ALA 20 Ca -0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2b6e h ALA 20 Cb 0.74 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2b6e h ALA 20 CO 0.24 0.29 -0.34 0.28 0.00 0.00 0.00 179.25 179.73 2b6e h VAL 21 N 0.28 0.31 -0.05 0.00 2.07 -1.95 -1.25 116.25 115.65 2b6e h VAL 21 Ca 0.06 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2b6e h VAL 21 Cb 0.23 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2b6e h VAL 21 CO 0.01 0.00 -0.31 0.77 0.02 0.00 0.00 177.57 178.06 2b6e h SER 22 N -0.96 0.09 -0.27 0.57 4.64 -1.56 -1.76 113.55 114.30 2b6e h SER 22 Ca -0.10 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2b6e h SER 22 Cb 0.72 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2b6e h SER 22 CO 0.16 0.41 0.09 -0.74 -0.87 0.00 0.00 176.83 175.88 2b6e h HIS 23 N 0.08 0.50 -0.39 4.77 2.76 -0.85 -1.88 115.15 120.14 2b6e h HIS 23 Ca 0.01 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2b6e h HIS 23 Cb 0.60 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2b6e h HIS 23 CO 0.00 0.43 0.00 1.28 -1.30 0.00 0.00 177.93 178.35 2b6e n LEU 24 N -4.36 2.21 -0.46 0.26 4.77 -0.50 -4.91 117.00 114.02 2b6e n LEU 24 Ca 0.02 -1.09 -0.06 0.00 -0.03 0.00 0.00 56.01 54.85 2b6e n LEU 24 Cb 0.17 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2b6e n LEU 24 CO 0.37 0.54 -0.06 0.61 -1.33 0.00 0.00 177.39 177.53 2b6e n GLY 25 N 1.17 0.83 3.75 -0.72 0.00 -0.71 -4.51 105.19 105.00 2b6e n GLY 25 Ca 0.14 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.13 3.58 -0.04 -0.61 1.01 -0.69 -4.33 121.20 117.99 2b6e s ILE 26 Ca 0.00 1.54 0.01 0.00 0.00 0.00 0.00 60.65 62.19 2b6e s ILE 26 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.51 2b6e s ILE 26 CO 0.00 0.34 -0.03 -0.70 0.00 0.00 0.00 174.94 174.55 2b6e s GLU 27 N -1.18 0.69 -0.39 2.79 2.12 -0.59 -4.50 118.70 117.64 2b6e s GLU 27 Ca 0.46 -0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 2b6e s GLU 27 Cb -0.31 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.33 2b6e s GLU 27 CO 0.39 -0.10 1.53 0.42 -0.54 0.00 0.00 175.26 176.96 2b6e s ILE 28 N 0.96 3.77 -0.13 -3.70 -1.09 -1.26 -0.87 121.20 118.88 2b6e s ILE 28 Ca -0.11 0.79 0.18 0.00 -2.23 0.00 0.00 60.65 59.28 2b6e s ILE 28 Cb -0.14 -4.04 -0.23 0.00 -1.58 0.00 0.00 42.46 36.47 2b6e s ILE 28 CO -0.00 -0.66 0.41 -1.54 -1.23 0.00 0.00 174.94 171.92 2b6e n SER 29 N 9.25 0.33 -3.61 3.58 3.41 -0.57 -4.89 113.62 121.12 2b6e n SER 29 Ca 0.18 0.15 -0.04 0.00 -0.26 0.00 0.00 58.87 58.91 2b6e n SER 29 Cb 0.48 0.82 -0.01 0.00 -0.26 0.00 0.00 64.21 65.23 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 -2.80 -2.00 0.03 7.33 0.00 -1.18 -5.00 121.76 118.14 2b6e s ALA 30 Ca -0.07 1.02 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 2b6e s ALA 30 Cb 0.08 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.47 2b6e s ALA 30 CO 0.84 -0.80 0.42 -0.59 0.00 0.00 0.00 175.76 175.63 2b6e s PHE 31 N -2.69 -0.29 0.00 0.00 -0.71 -1.26 0.14 117.98 113.16 2b6e s PHE 31 Ca 0.10 0.31 0.00 0.00 -1.04 0.00 0.00 56.93 56.30 2b6e s PHE 31 Cb 0.01 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 42.04 2b6e s PHE 31 CO -0.04 -0.55 0.00 0.41 -1.34 0.00 0.00 175.22 173.70 2b6e n GLY 32 N 0.64 5.56 0.27 1.99 0.00 0.16 -4.97 105.19 108.84 2b6e n GLY 32 Ca -0.19 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 43.78 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 0.63 0.00 1.61 5.08 -2.03 -3.33 114.58 116.54 2b6e h GLU 33 Ca 0.00 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2b6e h GLU 33 Cb 0.00 -0.08 -0.30 0.00 0.50 0.00 0.00 28.75 28.87 2b6e h GLU 33 CO 0.00 0.67 -0.91 -0.40 -1.00 0.00 0.00 179.01 177.37 2b6e n ASP 34 N -4.23 1.00 -3.64 1.42 5.68 -1.26 -1.74 116.55 113.78 2b6e n ASP 34 Ca 0.02 -2.23 -0.12 0.00 -0.50 0.00 0.00 54.79 51.95 2b6e n ASP 34 Cb 0.28 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 39.89 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 -0.40 -0.28 -0.06 2.11 1.48 -1.25 -4.37 118.94 116.17 2b6e s TRP 35 Ca 0.31 0.18 -0.07 0.00 -1.06 0.00 0.00 56.10 55.46 2b6e s TRP 35 Cb 0.35 0.25 0.02 0.00 -1.16 0.00 0.00 33.47 32.93 2b6e s TRP 35 CO -0.14 -0.62 0.19 -1.50 -4.06 0.00 0.00 176.95 170.82 2b6e s ILE 36 N -2.82 0.01 0.23 0.66 2.07 -0.95 0.40 121.20 120.81 2b6e s ILE 36 Ca -0.03 -0.12 0.10 0.00 -1.41 0.00 0.00 60.65 59.19 2b6e s ILE 36 Cb -0.00 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.23 2b6e s ILE 36 CO -0.05 -0.07 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.12 2b6e s GLU 37 N -0.17 1.51 -0.00 3.50 2.02 0.12 -0.88 118.70 124.79 2b6e s GLU 37 Ca -0.03 -1.63 -0.02 0.00 0.02 0.00 0.00 54.97 53.32 2b6e s GLU 37 Cb -0.02 -1.56 -0.00 0.00 0.10 0.00 0.00 34.13 32.64 2b6e s GLU 37 CO 0.01 0.30 0.03 0.00 0.02 0.00 0.00 175.26 175.61 2b6e s ALA 38 N -2.41 -0.06 0.00 5.21 0.00 -0.80 -1.52 121.76 122.18 2b6e s ALA 38 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2b6e s ALA 38 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2b6e s ALA 38 CO 0.11 -0.07 0.00 0.25 0.00 0.00 0.00 175.76 176.05 2b6e n THR 39 N 2.56 0.00 -4.37 0.00 -2.24 -0.05 -0.80 114.28 109.39 2b6e n THR 39 Ca -0.16 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.38 2b6e n THR 39 Cb 0.58 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.63 2.03 -0.66 -0.78 0.04 -1.26 -1.54 135.00 131.19 2b6e s PRO 41 Ca 0.00 -1.55 -0.02 0.00 0.04 0.00 0.00 61.00 59.47 2b6e s PRO 41 Cb 0.00 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.71 2b6e s PRO 41 CO 0.00 0.36 0.48 0.08 0.04 0.00 0.00 177.00 177.95 2b6e s VAL 42 N -2.35 3.68 0.00 -0.36 1.01 0.50 -4.68 120.40 118.20 2b6e s VAL 42 Ca 0.30 -3.19 0.00 0.00 0.00 0.00 0.00 61.98 59.09 2b6e s VAL 42 Cb -0.06 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2b6e s VAL 42 CO 0.18 -0.91 0.00 -0.90 0.00 0.00 0.00 175.10 173.47 2b6e n ASP 43 N 3.21 0.00 0.31 3.32 5.68 -1.26 -4.35 116.55 123.45 2b6e n ASP 43 Ca 0.10 -0.59 0.18 0.00 -0.50 0.00 0.00 54.79 53.98 2b6e n ASP 43 Cb 0.37 0.00 0.91 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 0.59 0.00 0.00 2.11 2.07 -1.99 -0.06 115.15 117.86 2b6e h HIS 44 Ca 0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 2b6e h HIS 44 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2b6e h HIS 44 CO 0.00 0.00 -0.38 0.00 -3.07 0.00 0.00 177.93 174.48 2b6e h ARG 45 N 0.00 0.00 -2.22 5.12 3.08 -1.95 -3.49 114.38 114.92 2b6e h ARG 45 Ca 0.02 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.50 2b6e h ARG 45 Cb 0.53 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.16 2b6e h ARG 45 CO -0.00 0.38 -0.74 0.25 -1.07 0.00 0.00 179.97 178.79 2b6e n THR 46 N -3.25 2.34 -4.42 2.04 -2.24 -0.04 -4.95 114.28 103.77 2b6e n THR 46 Ca 0.02 -5.33 -0.26 0.00 -2.27 0.00 0.00 64.05 56.21 2b6e n THR 46 Cb 0.64 -1.32 -0.09 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.11 2.03 0.00 -0.78 -0.21 0.80 -0.61 119.66 117.79 2b6e s GLN 48 Ca 0.46 -1.93 0.05 0.00 0.02 0.00 0.00 55.36 53.96 2b6e s GLN 48 Cb 0.27 -1.80 0.30 0.00 1.00 0.00 0.00 33.01 32.78 2b6e s GLN 48 CO -0.11 0.01 0.74 -0.35 -2.12 0.00 0.00 175.29 173.45 2b6e n PRO 49 N -1.01 0.45 -0.71 2.91 -0.04 -1.26 -3.16 135.00 132.18 2b6e n PRO 49 Ca -0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 2b6e n PRO 49 Cb 0.65 -1.18 0.20 0.00 -0.04 0.00 0.00 33.50 33.13 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 -0.68 0.78 -1.21 0.54 3.72 -1.26 -4.98 117.46 114.36 2b6e n PHE 50 Ca 0.04 -1.51 -0.03 0.00 -0.05 0.00 0.00 57.45 55.90 2b6e n PHE 50 Cb 0.02 -0.41 -0.01 0.00 -0.94 0.00 0.00 39.48 38.14 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 -1.10 0.55 3.20 1.37 0.00 -1.19 -5.05 105.19 102.97 2b6e n GLY 51 Ca 0.28 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.11 0.12 0.25 1.61 -7.23 -1.26 -4.73 120.40 107.06 2b6e s VAL 52 Ca 0.00 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.23 2b6e s VAL 52 Cb 0.00 -1.79 -0.13 0.00 0.56 0.00 0.00 36.38 35.02 2b6e s VAL 52 CO 0.00 -0.54 1.41 -0.11 -0.31 0.00 0.00 175.10 175.55 2b6e n LEU 53 N -0.09 3.24 -4.65 1.32 7.94 0.25 -0.14 117.00 124.87 2b6e n LEU 53 Ca -0.09 1.15 -0.43 0.00 -1.11 0.00 0.00 56.01 55.53 2b6e n LEU 53 Cb 0.63 -1.45 -0.02 0.00 0.53 0.00 0.00 43.42 43.11 2b6e n LEU 53 CO 0.27 -0.44 1.15 -2.28 -1.11 0.00 0.00 177.39 174.98 2b6e s HIS 54 N -0.16 2.66 0.46 1.96 5.65 0.22 -4.49 115.29 121.59 2b6e s HIS 54 Ca 0.67 0.86 0.12 0.00 0.25 0.00 0.00 55.06 56.95 2b6e s HIS 54 Cb -0.63 -3.69 1.05 0.00 -1.18 0.00 0.00 32.58 28.13 2b6e s HIS 54 CO 0.51 -2.01 2.09 0.78 -0.65 0.00 0.00 174.74 175.46 2b6e h GLY 55 N 10.26 0.33 1.34 1.59 0.00 -1.90 -1.16 103.07 113.54 2b6e h GLY 55 Ca -0.28 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 2b6e h GLY 55 CO 0.99 0.11 -0.22 -1.33 0.00 0.00 0.00 176.54 176.09 2b6e h GLY 56 N 0.31 0.82 1.87 4.60 0.00 -1.96 -2.33 103.07 106.39 2b6e h GLY 56 Ca 0.11 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 2b6e h GLY 56 CO -0.02 0.64 -0.48 -2.08 0.00 0.00 0.00 176.54 174.59 2b6e h VAL 57 N 0.66 1.34 -0.65 4.60 2.07 -1.58 -1.71 116.25 120.98 2b6e h VAL 57 Ca 0.09 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 2b6e h VAL 57 Cb 0.73 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 2b6e h VAL 57 CO 0.06 0.49 0.23 0.28 0.02 0.00 0.00 177.57 178.65 2b6e h SER 58 N 0.11 0.90 0.02 0.57 0.02 -0.91 -0.58 113.55 113.68 2b6e h SER 58 Ca 0.00 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 2b6e h SER 58 Cb 0.89 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2b6e h SER 58 CO 0.07 0.83 -0.36 0.58 -1.14 0.00 0.00 176.83 176.81 2b6e h VAL 59 N 0.95 1.29 -0.84 2.27 2.07 -0.91 -1.48 116.25 119.60 2b6e h VAL 59 Ca 0.22 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 2b6e h VAL 59 Cb 0.23 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2b6e h VAL 59 CO -0.01 0.46 0.40 0.00 0.02 0.00 0.00 177.57 178.44 2b6e h ALA 60 N 1.23 1.12 0.01 1.67 0.00 -0.37 -0.28 119.26 122.65 2b6e h ALA 60 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2b6e h ALA 60 Cb 0.81 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2b6e h ALA 60 CO 0.07 0.66 -0.01 1.25 0.00 0.00 0.00 179.25 181.22 2b6e h LEU 61 N 1.20 -0.01 -0.41 0.00 5.85 -0.80 -1.87 115.31 119.27 2b6e h LEU 61 Ca 0.29 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2b6e h LEU 61 Cb 0.12 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2b6e h LEU 61 CO -0.04 0.15 0.13 0.00 -0.34 0.00 0.00 178.44 178.34 2b6e h ALA 62 N 0.81 0.47 -0.20 1.25 0.00 -0.86 -1.02 119.26 119.71 2b6e h ALA 62 Ca -0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2b6e h ALA 62 Cb 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b6e h ALA 62 CO 0.00 -0.27 -0.23 1.49 0.00 0.00 0.00 179.25 180.24 2b6e h GLU 63 N 0.28 0.37 0.61 0.00 4.81 -1.01 -0.42 114.58 119.22 2b6e h GLU 63 Ca 0.19 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2b6e h GLU 63 Cb 0.19 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.55 2b6e h GLU 63 CO -0.21 0.58 -0.30 1.15 -0.73 0.00 0.00 179.01 179.50 2b6e h THR 64 N 0.33 0.34 -0.27 0.32 2.02 -0.48 -0.75 112.91 114.43 2b6e h THR 64 Ca 0.05 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 2b6e h THR 64 Cb 0.59 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2b6e h THR 64 CO 0.04 0.02 -0.27 -0.29 0.37 0.00 0.00 175.52 175.39 2b6e h ILE 65 N -0.95 1.27 -0.37 3.11 6.09 -1.17 -1.89 117.51 123.60 2b6e h ILE 65 Ca -0.08 -1.33 -0.15 0.00 -1.37 0.00 0.00 64.86 61.93 2b6e h ILE 65 Cb 0.67 1.36 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 2b6e h ILE 65 CO 0.14 0.42 -0.37 1.23 -3.07 0.00 0.00 178.15 176.50 2b6e h GLY 66 N 1.02 0.97 0.84 8.18 0.00 -1.08 -1.40 103.07 111.60 2b6e h GLY 66 Ca 0.06 -0.97 -0.06 0.00 0.00 0.00 0.00 47.33 46.36 2b6e h GLY 66 CO 0.05 0.88 -0.10 1.76 0.00 0.00 0.00 176.54 179.13 2b6e h SER 67 N 0.73 0.49 -0.21 0.19 0.02 -1.04 -1.56 113.55 112.18 2b6e h SER 67 Ca 0.06 -0.40 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 2b6e h SER 67 Cb 0.95 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2b6e h SER 67 CO 0.09 0.78 0.02 0.25 -1.14 0.00 0.00 176.83 176.83 2b6e h LEU 68 N 0.20 -0.04 -0.28 5.07 5.85 -1.33 -1.27 115.31 123.53 2b6e h LEU 68 Ca 0.05 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2b6e h LEU 68 Cb 0.58 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2b6e h LEU 68 CO 0.03 0.01 -0.08 0.00 -0.34 0.00 0.00 178.44 178.06 2b6e h ALA 69 N 1.16 0.17 -0.80 1.25 0.00 -1.17 -1.75 119.26 118.13 2b6e h ALA 69 Ca 0.10 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2b6e h ALA 69 Cb 0.11 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2b6e h ALA 69 CO -0.15 -0.48 0.48 0.78 0.00 0.00 0.00 179.25 179.89 2b6e h GLY 70 N -0.01 1.19 1.46 0.00 0.00 -0.75 -2.16 103.07 102.79 2b6e h GLY 70 Ca 0.14 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 2b6e h GLY 70 CO -0.29 0.23 -0.04 1.48 0.00 0.00 0.00 176.54 177.91 2b6e h SER 71 N 0.88 0.63 0.46 0.19 4.64 -0.68 -2.32 113.55 117.34 2b6e h SER 71 Ca 0.35 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2b6e h SER 71 Cb 0.18 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2b6e h SER 71 CO -0.18 0.73 0.00 0.18 -0.87 0.00 0.00 176.83 176.70 2b6e n LEU 72 N -4.22 0.00 -1.53 5.97 4.77 -0.71 -2.53 117.00 118.75 2b6e n LEU 72 Ca 0.02 0.36 0.09 0.00 -0.03 0.00 0.00 56.01 56.45 2b6e n LEU 72 Cb 0.30 -0.36 0.35 0.00 -2.33 0.00 0.00 43.42 41.38 2b6e n LEU 72 CO 0.41 -0.13 0.81 0.00 -1.33 0.00 0.00 177.39 177.14 2b6e s LEU 74 N -1.80 2.31 0.77 0.00 1.43 -1.05 -4.64 118.68 115.71 2b6e s LEU 74 Ca 0.50 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2b6e s LEU 74 Cb 0.32 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.53 2b6e s LEU 74 CO 0.25 0.12 1.08 -1.61 0.23 0.00 0.00 176.35 176.42 2b6e s GLU 75 N -1.99 2.31 0.67 1.70 2.02 -1.26 -4.30 118.70 117.85 2b6e s GLU 75 Ca 0.10 0.91 -0.17 0.00 0.02 0.00 0.00 54.97 55.83 2b6e s GLU 75 Cb -0.10 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2b6e s GLU 75 CO 0.05 -1.53 1.04 0.39 0.02 0.00 0.00 175.26 175.23 2b6e n GLU 76 N -3.41 0.75 -0.29 1.61 -0.58 -1.26 -2.73 120.64 114.72 2b6e n GLU 76 Ca 0.08 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 2b6e n GLU 76 Cb 0.54 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 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 1.11 0.73 3.05 0.62 0.00 -1.26 -5.04 105.19 104.41 2b6e n GLY 77 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.65 0.51 0.00 1.61 1.02 -1.11 -4.60 119.74 116.51 2b6e s LYS 78 Ca 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.14 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 -0.02 0.00 -2.37 -0.92 0.00 0.00 175.35 172.04 2b6e n THR 79 N 1.11 0.00 -4.28 2.17 5.66 -1.10 -4.80 114.28 113.05 2b6e n THR 79 Ca -0.20 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.63 2b6e n THR 79 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 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 1.40 -0.04 1.08 -7.23 -1.26 -2.30 120.40 109.39 2b6e s VAL 80 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2b6e s VAL 80 Cb 0.00 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.15 2b6e s VAL 80 CO 0.00 -0.59 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.43 2b6e s VAL 81 N -2.82 0.74 0.09 1.32 1.01 -0.69 -4.97 120.40 115.08 2b6e s VAL 81 Ca 0.16 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 2b6e s VAL 81 Cb -0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 36.38 35.60 2b6e s VAL 81 CO 0.03 0.26 1.33 -0.83 0.00 0.00 0.00 175.10 175.89 2b6e s GLY 82 N 0.64 2.11 -0.24 4.51 0.00 -1.26 -0.89 107.32 112.19 2b6e s GLY 82 Ca -0.10 1.02 -0.16 0.00 0.00 0.00 0.00 44.72 45.48 2b6e s GLY 82 CO 0.01 2.25 -0.27 -0.10 0.00 0.00 0.00 173.10 175.00 2b6e n LEU 83 N 4.01 1.93 -3.72 0.66 7.94 0.15 -4.90 117.00 123.08 2b6e n LEU 83 Ca 0.11 0.37 -0.10 0.00 -1.11 0.00 0.00 56.01 55.27 2b6e n LEU 83 Cb 0.44 -0.83 -0.04 0.00 0.53 0.00 0.00 43.42 43.52 2b6e n LEU 83 CO 0.58 0.30 0.24 1.51 -1.11 0.00 0.00 177.39 178.90 2b6e s ASP 84 N -6.99 -0.25 -0.07 1.96 -4.77 -1.15 -5.02 116.67 100.39 2b6e s ASP 84 Ca -0.34 -0.46 -0.25 0.00 -3.30 0.00 0.00 52.55 48.21 2b6e s ASP 84 Cb 0.11 0.55 0.05 0.00 -1.09 0.00 0.00 42.92 42.54 2b6e s ASP 84 CO 0.48 -1.00 0.56 -0.51 0.70 0.00 0.00 175.17 175.39 2b6e s ILE 85 N -3.86 0.02 0.05 2.11 2.07 -1.26 -1.13 121.20 119.19 2b6e s ILE 85 Ca 0.08 -0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.17 2b6e s ILE 85 Cb -0.00 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 2b6e s ILE 85 CO -0.05 -0.08 -0.03 0.54 -1.91 0.00 0.00 174.94 173.42 2b6e s ASN 86 N -0.98 0.48 -0.06 4.50 2.20 -0.82 -5.00 114.94 115.26 2b6e s ASN 86 Ca -0.10 -1.00 -0.31 0.00 -0.94 0.00 0.00 52.86 50.51 2b6e s ASN 86 Cb -0.02 0.20 0.08 0.00 -2.00 0.00 0.00 41.25 39.51 2b6e s ASN 86 CO 0.07 -0.60 0.72 0.00 -2.94 0.00 0.00 177.10 174.34 2b6e s ALA 87 N -3.92 -1.79 -0.10 3.54 0.00 -1.26 -1.77 121.76 116.45 2b6e s ALA 87 Ca 0.07 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.41 2b6e s ALA 87 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2b6e s ALA 87 CO -0.10 -0.37 -0.21 -0.80 0.00 0.00 0.00 175.76 174.29 2b6e s ASN 88 N -1.20 3.36 -0.40 0.00 -0.87 -0.09 -4.99 114.94 110.76 2b6e s ASN 88 Ca -0.10 -0.49 -0.18 0.00 -1.57 0.00 0.00 52.86 50.52 2b6e s ASN 88 Cb -0.00 -1.42 0.01 0.00 -0.02 0.00 0.00 41.25 39.82 2b6e s ASN 88 CO 0.09 0.17 0.50 -1.00 -2.57 0.00 0.00 177.10 174.29 2b6e s HIS 89 N 0.29 3.15 -0.02 2.20 3.76 -1.26 -2.33 115.29 121.09 2b6e s HIS 89 Ca -0.15 -0.10 -0.08 0.00 -0.15 0.00 0.00 55.06 54.57 2b6e s HIS 89 Cb -0.17 -2.99 -0.30 0.00 1.11 0.00 0.00 32.58 30.23 2b6e s HIS 89 CO 0.08 -0.67 0.80 -0.07 -0.85 0.00 0.00 174.74 174.03 2b6e h LEU 90 N 9.19 0.55 -7.11 0.89 3.38 -1.44 -3.49 115.31 117.29 2b6e h LEU 90 Ca -0.27 -0.76 -0.07 0.00 0.09 0.00 0.00 57.88 56.87 2b6e h LEU 90 Cb 1.11 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.49 2b6e h LEU 90 CO 0.80 1.63 0.09 0.00 0.09 0.00 0.00 178.44 181.06 2b6e s ARG 91 N -2.60 0.99 0.60 1.13 1.70 -1.22 -5.04 118.95 114.51 2b6e s ARG 91 Ca -0.12 0.14 -0.17 0.00 -0.47 0.00 0.00 55.73 55.11 2b6e s ARG 91 Cb 0.06 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 2b6e s ARG 91 CO 0.87 -0.31 1.09 -1.25 -1.08 0.00 0.00 175.30 174.62 2b6e s PRO 92 N -1.31 3.17 -0.12 3.89 0.04 -1.26 -4.80 135.00 134.61 2b6e s PRO 92 Ca -0.11 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.32 2b6e s PRO 92 Cb -0.01 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2b6e s PRO 92 CO 0.08 -0.96 -0.12 0.08 0.04 0.00 0.00 177.00 176.12 2b6e s VAL 93 N -2.21 1.37 -2.02 -0.36 1.01 -1.26 -5.02 120.40 111.91 2b6e s VAL 93 Ca 0.67 -0.52 0.17 0.00 0.00 0.00 0.00 61.98 62.30 2b6e s VAL 93 Cb -0.20 -1.30 0.10 0.00 0.00 0.00 0.00 36.38 34.99 2b6e s VAL 93 CO 0.35 0.42 1.01 -2.11 0.00 0.00 0.00 175.10 174.77 2b6e n ARG 94 N 4.63 1.48 -3.64 2.72 -4.01 -1.26 -0.58 116.66 115.99 2b6e n ARG 94 Ca -0.16 -1.36 -0.01 0.00 -1.04 0.00 0.00 57.85 55.28 2b6e n ARG 94 Cb 0.50 -1.32 -0.01 0.00 -3.04 0.00 0.00 32.46 28.59 2b6e n ARG 94 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2b6e s SER 95 N -1.57 -0.10 0.00 2.89 1.04 -1.26 -4.91 113.70 109.78 2b6e s SER 95 Ca 0.19 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2b6e s SER 95 Cb 0.14 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2b6e s SER 95 CO 0.27 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2b6e n GLY 96 N -0.43 -0.25 3.06 7.32 0.00 -1.26 -4.86 105.19 108.76 2b6e n GLY 96 Ca -0.07 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 0.52 0.18 1.61 -2.85 -1.26 -0.37 119.74 117.57 2b6e s LYS 97 Ca 0.00 -0.78 0.06 0.00 -1.00 0.00 0.00 55.97 54.24 2b6e s LYS 97 Cb 0.00 -0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.50 2b6e s LYS 97 CO 0.00 0.03 0.10 0.14 0.10 0.00 0.00 175.35 175.72 2b6e s VAL 98 N -1.57 4.25 -0.12 1.79 -7.23 -1.26 -2.89 120.40 113.36 2b6e s VAL 98 Ca -0.09 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 2b6e s VAL 98 Cb -0.09 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.69 2b6e s VAL 98 CO -0.00 -0.14 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.58 2b6e s THR 99 N -1.80 1.71 -0.21 5.32 2.01 0.19 -4.33 115.64 118.54 2b6e s THR 99 Ca 0.30 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 2b6e s THR 99 Cb -0.10 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2b6e s THR 99 CO 0.22 0.48 0.02 0.00 -0.69 0.00 0.00 174.62 174.66 2b6e s ALA 100 N 0.95 3.09 -0.19 7.40 0.00 0.02 -0.81 121.76 132.22 2b6e s ALA 100 Ca -0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2b6e s ALA 100 Cb -0.15 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2b6e s ALA 100 CO -0.02 -0.19 -0.04 0.50 0.00 0.00 0.00 175.76 176.02 2b6e s ARG 101 N 1.06 3.50 -0.17 0.00 3.52 0.28 -1.91 118.95 125.24 2b6e s ARG 101 Ca 0.03 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 54.94 2b6e s ARG 101 Cb -0.14 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.22 2b6e s ARG 101 CO 0.02 -0.02 0.19 0.00 -0.81 0.00 0.00 175.30 174.68 2b6e s ALA 102 N 1.03 3.69 0.01 6.12 0.00 -0.06 -1.96 121.76 130.59 2b6e s ALA 102 Ca 0.01 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2b6e s ALA 102 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 2b6e s ALA 102 CO 0.01 0.21 -0.06 0.95 0.00 0.00 0.00 175.76 176.87 2b6e s THR 103 N 0.16 0.46 0.40 0.00 -4.23 -0.14 -2.24 115.64 110.05 2b6e s THR 103 Ca 0.12 -0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 59.90 2b6e s THR 103 Cb -0.12 -0.43 -0.09 0.00 1.34 0.00 0.00 72.50 73.20 2b6e s THR 103 CO 0.01 -0.04 1.08 -2.16 -0.54 0.00 0.00 174.62 172.97 2b6e s PRO 104 N -0.57 4.12 -0.19 3.99 0.04 -1.26 -0.87 135.00 140.25 2b6e s PRO 104 Ca -0.02 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 2b6e s PRO 104 Cb -0.04 -2.57 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 2b6e s PRO 104 CO -0.00 -0.20 -0.22 -0.89 0.04 0.00 0.00 177.00 175.73 2b6e n ILE 105 N -0.06 1.06 -3.64 0.56 5.41 -0.13 -4.82 119.36 117.74 2b6e n ILE 105 Ca 0.05 -0.32 -0.06 0.00 1.00 0.00 0.00 62.75 63.42 2b6e n ILE 105 Cb 0.49 -1.54 -0.07 0.00 -0.71 0.00 0.00 39.64 37.81 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 -6.39 -0.96 -0.50 4.38 3.84 -1.05 -5.00 114.94 109.26 2b6e s ASN 106 Ca -0.26 1.50 -0.03 0.00 0.21 0.00 0.00 52.86 54.28 2b6e s ASN 106 Cb 0.09 1.50 0.13 0.00 -0.55 0.00 0.00 41.25 42.42 2b6e s ASN 106 CO 0.37 -0.23 0.30 -0.76 -2.79 0.00 0.00 177.10 173.99 2b6e s LEU 107 N 1.78 5.21 0.60 3.21 1.43 -1.26 -0.63 118.68 129.04 2b6e s LEU 107 Ca -0.09 -2.40 0.00 0.00 -1.03 0.00 0.00 54.13 50.61 2b6e s LEU 107 Cb -0.06 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.39 2b6e s LEU 107 CO -0.20 -0.46 0.85 -0.83 0.23 0.00 0.00 176.35 175.94 2b6e s GLY 108 N 1.29 1.80 0.36 -3.19 0.00 0.11 -4.99 107.32 102.69 2b6e s GLY 108 Ca 0.12 -1.43 0.11 0.00 0.00 0.00 0.00 44.72 43.52 2b6e s GLY 108 CO -0.04 -1.06 1.81 3.21 0.00 0.00 0.00 173.10 177.02 2b6e h ARG 109 N -0.12 0.09 0.00 2.90 3.08 -2.01 -3.33 114.38 114.99 2b6e h ARG 109 Ca -0.40 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.56 2b6e h ARG 109 Cb 1.29 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 2b6e h ARG 109 CO 0.49 0.43 -1.33 0.09 -1.07 0.00 0.00 179.97 178.58 2b6e n ASN 110 N -4.10 3.64 -4.00 7.04 3.02 -1.26 -4.74 115.26 114.86 2b6e n ASN 110 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.34 2b6e n ASN 110 Cb 0.41 0.95 -0.15 0.00 -0.61 0.00 0.00 39.78 40.37 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 -2.27 0.72 0.01 2.41 -1.09 -1.25 -0.49 121.20 119.24 2b6e s ILE 111 Ca -0.02 -0.35 0.08 0.00 -2.23 0.00 0.00 60.65 58.13 2b6e s ILE 111 Cb 0.03 -0.63 -0.02 0.00 -1.58 0.00 0.00 42.46 40.25 2b6e s ILE 111 CO 0.24 0.22 -0.26 -1.10 -1.23 0.00 0.00 174.94 172.81 2b6e s GLN 112 N 0.06 1.94 -0.13 2.79 -0.21 0.12 0.06 119.66 124.30 2b6e s GLN 112 Ca -0.01 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 54.39 2b6e s GLN 112 Cb -0.07 -1.98 0.02 0.00 1.00 0.00 0.00 33.01 31.98 2b6e s GLN 112 CO 0.00 0.53 -0.16 0.08 -2.12 0.00 0.00 175.29 173.63 2b6e s VAL 113 N -0.69 1.59 0.08 1.09 1.01 0.20 0.12 120.40 123.80 2b6e s VAL 113 Ca 0.11 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.50 2b6e s VAL 113 Cb -0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2b6e s VAL 113 CO 0.00 0.46 -0.24 0.26 0.00 0.00 0.00 175.10 175.58 2b6e s TRP 114 N 1.13 2.38 -0.15 5.22 0.52 0.49 -0.96 118.94 127.57 2b6e s TRP 114 Ca -0.03 -0.36 -0.05 0.00 0.02 0.00 0.00 56.10 55.69 2b6e s TRP 114 Cb -0.14 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.79 2b6e s TRP 114 CO -0.05 0.25 -0.00 -1.14 0.02 0.00 0.00 176.95 176.03 2b6e s GLN 115 N -1.65 3.66 -0.15 4.98 0.74 -0.05 -0.69 119.66 126.50 2b6e s GLN 115 Ca 0.14 -0.45 -0.01 0.00 0.05 0.00 0.00 55.36 55.09 2b6e s GLN 115 Cb -0.10 -2.99 0.04 0.00 1.10 0.00 0.00 33.01 31.06 2b6e s GLN 115 CO 0.05 0.32 -0.02 0.42 -0.55 0.00 0.00 175.29 175.51 2b6e s ILE 116 N 0.17 0.79 -0.10 -2.34 1.09 -0.04 -0.97 121.20 119.80 2b6e s ILE 116 Ca 0.01 -0.42 -0.00 0.00 -1.10 0.00 0.00 60.65 59.13 2b6e s ILE 116 Cb -0.13 -1.04 -0.03 0.00 -1.06 0.00 0.00 42.46 40.20 2b6e s ILE 116 CO 0.02 0.09 -0.07 -1.81 -0.10 0.00 0.00 174.94 173.07 2b6e s ASP 117 N 1.77 4.63 -0.12 3.58 1.01 -0.83 -0.77 116.67 125.95 2b6e s ASP 117 Ca 0.01 -0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.21 2b6e s ASP 117 Cb -0.15 -1.37 -0.01 0.00 1.01 0.00 0.00 42.92 42.40 2b6e s ASP 117 CO -0.07 0.30 -0.15 -0.63 0.21 0.00 0.00 175.17 174.82 2b6e s ILE 118 N -0.41 2.90 0.21 0.77 1.01 0.23 -0.56 121.20 125.36 2b6e s ILE 118 Ca 0.06 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 60.08 2b6e s ILE 118 Cb -0.12 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 2b6e s ILE 118 CO 0.02 0.54 -0.18 -0.13 0.00 0.00 0.00 174.94 175.19 2b6e s ARG 119 N 0.24 1.40 0.80 2.79 0.52 0.01 -0.95 118.95 123.75 2b6e s ARG 119 Ca -0.10 -1.56 -0.06 0.00 -0.52 0.00 0.00 55.73 53.49 2b6e s ARG 119 Cb -0.16 -1.39 0.14 0.00 0.52 0.00 0.00 34.95 34.07 2b6e s ARG 119 CO 0.06 0.26 1.10 0.95 0.02 0.00 0.00 175.30 177.69 2b6e s THR 120 N -2.44 2.11 0.60 0.02 -4.23 0.16 -0.63 115.64 111.23 2b6e s THR 120 Ca 0.21 -0.37 0.35 0.00 -1.18 0.00 0.00 61.69 60.70 2b6e s THR 120 Cb -0.04 -2.74 0.38 0.00 1.34 0.00 0.00 72.50 71.44 2b6e s THR 120 CO 0.09 0.00 2.29 1.05 -0.54 0.00 0.00 174.62 177.50 2b6e h GLU 121 N -0.90 0.00 -0.36 3.99 4.11 -1.87 0.11 114.58 119.66 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 0.01 0.00 0.39 0.07 0.00 0.00 179.01 179.89 2b6e n GLU 122 N -3.58 1.89 -1.20 1.06 -0.58 -1.26 -4.90 120.64 112.06 2b6e n GLU 122 Ca -0.03 -1.37 -0.07 0.00 -0.42 0.00 0.00 57.16 55.27 2b6e n GLU 122 Cb 0.09 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 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 0.61 -4.21 -4.75 1.62 5.15 0.37 -5.00 115.26 109.04 2b6e n ASN 123 Ca 0.13 0.17 -0.39 0.00 -0.60 0.00 0.00 54.58 53.89 2b6e n ASN 123 Cb 0.33 -2.32 -0.05 0.00 -0.53 0.00 0.00 39.78 37.21 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 -2.27 4.40 -0.11 1.20 -0.14 -1.26 -4.76 119.74 116.80 2b6e s LYS 124 Ca 0.00 0.88 -0.29 0.00 -1.36 0.00 0.00 55.97 55.20 2b6e s LYS 124 Cb 0.00 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 2b6e s LYS 124 CO 0.00 0.32 1.36 -1.17 -0.76 0.00 0.00 175.35 175.09 2b6e s LEU 125 N -0.08 4.23 -0.01 3.17 2.96 -1.26 -0.67 118.68 127.03 2b6e s LEU 125 Ca 0.34 1.86 0.07 0.00 -0.22 0.00 0.00 54.13 56.19 2b6e s LEU 125 Cb -0.19 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 2b6e s LEU 125 CO 0.20 -0.78 0.18 0.00 -1.32 0.00 0.00 176.35 174.63 2b6e s VAL 128 N 0.09 1.20 0.05 0.00 -7.23 -0.99 -0.60 120.40 112.93 2b6e s VAL 128 Ca -0.02 -0.58 -0.06 0.00 -1.81 0.00 0.00 61.98 59.51 2b6e s VAL 128 Cb -0.04 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 2b6e s VAL 128 CO 0.02 0.36 0.10 -0.55 -0.31 0.00 0.00 175.10 174.71 2b6e s SER 129 N 0.16 0.20 -0.05 4.85 0.15 0.05 -0.91 113.70 118.15 2b6e s SER 129 Ca -0.05 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.01 2b6e s SER 129 Cb -0.11 0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2b6e s SER 129 CO 0.02 -0.56 -0.06 -0.60 1.20 0.00 0.00 173.24 173.24 2b6e s ARG 130 N -2.97 0.99 -0.09 5.44 3.52 -0.73 -0.86 118.95 124.25 2b6e s ARG 130 Ca -0.02 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 2b6e s ARG 130 Cb 0.01 -0.93 -0.01 0.00 -1.56 0.00 0.00 34.95 32.45 2b6e s ARG 130 CO -0.06 -0.05 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.04 2b6e s LEU 131 N 0.81 2.50 -0.21 -0.88 2.96 0.13 -1.95 118.68 122.04 2b6e s LEU 131 Ca -0.12 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 2b6e s LEU 131 Cb -0.14 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2b6e s LEU 131 CO 0.01 0.23 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.36 2b6e s THR 132 N -0.03 3.78 0.06 3.68 2.01 -0.29 -0.38 115.64 124.47 2b6e s THR 132 Ca -0.05 -0.37 0.08 0.00 0.31 0.00 0.00 61.69 61.66 2b6e s THR 132 Cb -0.14 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 2b6e s THR 132 CO 0.04 0.42 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.44 2b6e s LEU 133 N 1.13 2.55 -0.13 4.42 1.43 0.12 -0.67 118.68 127.53 2b6e s LEU 133 Ca 0.02 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2b6e s LEU 133 Cb -0.14 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2b6e s LEU 133 CO 0.01 0.24 0.08 -0.55 0.23 0.00 0.00 176.35 176.36 2b6e s SER 134 N -1.54 5.84 -0.17 2.29 0.15 -0.07 -0.71 113.70 119.50 2b6e s SER 134 Ca 0.15 0.26 -0.17 0.00 0.70 0.00 0.00 55.95 56.89 2b6e s SER 134 Cb -0.10 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 2b6e s SER 134 CO 0.06 0.33 0.44 -0.69 1.20 0.00 0.00 173.24 174.57 2b6e s VAL 135 N -0.54 5.19 -0.07 4.45 1.01 0.36 -1.71 120.40 129.09 2b6e s VAL 135 Ca 0.11 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.95 2b6e s VAL 135 Cb -0.12 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2b6e s VAL 135 CO 0.02 0.28 -0.22 0.27 0.00 0.00 0.00 175.10 175.45 2b6e s ILE 136 N 1.06 2.36 -2.75 2.22 -4.36 -0.97 -4.86 121.20 113.89 2b6e s ILE 136 Ca 0.22 -0.95 0.26 0.00 -0.26 0.00 0.00 60.65 59.92 2b6e s ILE 136 Cb -0.15 -1.89 0.37 0.00 1.25 0.00 0.00 42.46 42.04 2b6e s ILE 136 CO 0.08 0.57 1.50 -3.20 0.24 0.00 0.00 174.94 174.13