#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4s s LEU 4 N 0.00 2.49 -0.04 -0.35 1.43 -1.26 -4.48 118.68 116.47 3m4s s LEU 4 Ca 0.00 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3m4s s LEU 4 Cb 0.00 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.79 3m4s s LEU 4 CO 0.00 0.25 -0.03 0.28 0.23 0.00 0.00 176.35 177.08 3m4s s THR 5 N -0.91 0.40 0.11 5.49 -1.32 -0.83 -4.97 115.64 113.61 3m4s s THR 5 Ca 0.14 -0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.27 3m4s s THR 5 Cb -0.10 -0.44 -0.06 0.00 -1.51 0.00 0.00 72.50 70.39 3m4s s THR 5 CO 0.05 0.19 1.02 -0.69 -2.21 0.00 0.00 174.62 172.98 3m4s s VAL 6 N 0.88 4.32 -0.34 5.08 1.01 -1.26 -0.89 120.40 129.20 3m4s s VAL 6 Ca -0.11 1.89 -0.13 0.00 0.00 0.00 0.00 61.98 63.64 3m4s s VAL 6 Cb -0.14 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3m4s s VAL 6 CO -0.00 0.27 0.26 -0.69 0.00 0.00 0.00 175.10 174.94 3m4s s VAL 7 N 0.12 5.26 -0.42 2.92 1.01 -0.67 -4.95 120.40 123.68 3m4s s VAL 7 Ca 0.49 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3m4s s VAL 7 Cb -0.25 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.52 3m4s s VAL 7 CO 0.31 -0.02 0.19 0.00 0.00 0.00 0.00 175.10 175.58 3m4s s ALA 8 N 1.78 2.37 0.17 5.51 0.00 -1.26 -3.49 121.76 126.83 3m4s s ALA 8 Ca 0.07 -2.55 -0.30 0.00 0.00 0.00 0.00 51.96 49.19 3m4s s ALA 8 Cb -0.17 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 3m4s s ALA 8 CO 0.11 -1.93 1.08 0.45 0.00 0.00 0.00 175.76 175.47 3m4s s SER 9 N 0.54 7.31 0.00 0.00 0.15 -1.26 -4.95 113.70 115.49 3m4s s SER 9 Ca 0.15 2.05 0.13 0.00 0.70 0.00 0.00 55.95 58.98 3m4s s SER 9 Cb -0.23 -2.60 0.80 0.00 -1.71 0.00 0.00 66.02 62.28 3m4s s SER 9 CO -0.06 -0.19 1.40 -0.81 1.20 0.00 0.00 173.24 174.78 3m4s n PRO 10 N 2.40 0.85 -0.07 5.44 -0.04 -1.26 -3.77 135.00 138.55 3m4s n PRO 10 Ca 0.03 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.43 3m4s n PRO 10 Cb 0.47 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 3m4s n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3m4s n LEU 11 N -0.75 0.00 -4.91 1.53 4.77 -1.26 -4.98 117.00 111.40 3m4s n LEU 11 Ca 0.10 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 3m4s n LEU 11 Cb 0.05 0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3m4s n LEU 11 CO 0.08 0.33 0.32 0.00 -1.33 0.00 0.00 177.39 176.78 3m4s s ALA 12 N -2.41 3.52 0.15 -1.18 0.00 -1.25 -4.40 121.76 116.18 3m4s s ALA 12 Ca -0.07 -0.56 -0.34 0.00 0.00 0.00 0.00 51.96 50.99 3m4s s ALA 12 Cb 0.05 -2.43 -0.16 0.00 0.00 0.00 0.00 23.12 20.58 3m4s s ALA 12 CO 0.60 -0.07 1.21 -2.30 0.00 0.00 0.00 175.76 175.20 3m4s n PRO 13 N -1.65 1.14 -2.09 0.00 -0.02 -1.26 -4.75 135.00 126.37 3m4s n PRO 13 Ca -0.01 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 3m4s n PRO 13 Cb 0.55 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 3m4s n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3m4s s GLU 14 N -0.15 4.26 -0.97 -0.52 2.12 -1.26 -4.89 118.70 117.29 3m4s s GLU 14 Ca 0.76 2.15 -0.24 0.00 0.36 0.00 0.00 54.97 58.00 3m4s s GLU 14 Cb -0.88 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.12 3m4s s GLU 14 CO 0.51 -0.57 1.59 0.00 -0.54 0.00 0.00 175.26 176.24 3m4s s ALA 15 N 1.85 2.41 -0.98 6.30 0.00 -1.26 -4.85 121.76 125.22 3m4s s ALA 15 Ca 0.67 -1.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 3m4s s ALA 15 Cb -0.37 -4.52 0.28 0.00 0.00 0.00 0.00 23.12 18.51 3m4s s ALA 15 CO 0.30 -3.94 1.17 1.33 0.00 0.00 0.00 175.76 174.61 3m4s n VAL 16 N 7.15 4.28 0.00 0.00 0.24 -1.26 -4.77 118.33 123.96 3m4s n VAL 16 Ca 0.34 -5.57 0.00 0.00 -2.04 0.00 0.00 64.34 57.07 3m4s n VAL 16 Cb 0.50 -2.23 0.00 0.00 -1.47 0.00 0.00 33.84 30.64 3m4s n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m4s n GLY 17 N 1.67 1.99 2.63 7.63 0.00 -1.26 -4.93 105.19 112.92 3m4s n GLY 17 Ca 0.25 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 3m4s n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4s n ALA 18 N -3.00 6.42 -2.25 4.61 0.00 -1.26 -4.94 120.51 120.08 3m4s n ALA 18 Ca 0.00 -3.46 -0.13 0.00 0.00 0.00 0.00 53.44 49.85 3m4s n ALA 18 Cb 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.33 3m4s n ALA 18 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3m4s s TYR 19 N -2.85 1.18 0.08 0.00 -0.85 -1.26 -5.16 117.35 108.49 3m4s s TYR 19 Ca 0.55 -1.38 0.05 0.00 -0.52 0.00 0.00 57.07 55.77 3m4s s TYR 19 Cb 0.41 -0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 3m4s s TYR 19 CO -0.28 -0.68 -0.14 -1.12 -1.52 0.00 0.00 175.55 171.81 3m4s s SER 20 N -3.17 1.70 0.23 -0.18 0.01 -1.26 -4.71 113.70 106.32 3m4s s SER 20 Ca 0.38 -0.66 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 3m4s s SER 20 Cb 0.06 -0.05 0.29 0.00 0.21 0.00 0.00 66.02 66.53 3m4s s SER 20 CO 0.13 -0.10 1.85 1.56 0.41 0.00 0.00 173.24 177.10 3m4s h GLN 21 N 4.13 0.93 -3.18 12.44 4.20 -1.90 -3.39 115.11 128.34 3m4s h GLN 21 Ca -0.40 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.26 3m4s h GLN 21 Cb 1.19 -0.21 -0.08 0.00 0.30 0.00 0.00 27.48 28.68 3m4s h GLN 21 CO 0.42 0.62 0.12 0.00 -0.67 0.00 0.00 178.83 179.32 3m4s s ALA 22 N -6.08 -1.08 -0.07 3.87 0.00 -1.23 0.06 121.76 117.24 3m4s s ALA 22 Ca -0.13 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3m4s s ALA 22 Cb 0.17 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.19 3m4s s ALA 22 CO 0.79 -0.89 -0.07 0.42 0.00 0.00 0.00 175.76 176.00 3m4s s ILE 23 N -3.89 0.81 -0.08 0.00 -1.09 -0.38 -1.68 121.20 114.89 3m4s s ILE 23 Ca 0.10 -0.24 -0.20 0.00 -2.23 0.00 0.00 60.65 58.07 3m4s s ILE 23 Cb -0.03 -0.81 -0.04 0.00 -1.58 0.00 0.00 42.46 40.00 3m4s s ILE 23 CO 0.01 0.30 0.58 -0.63 -1.23 0.00 0.00 174.94 173.96 3m4s s ILE 24 N 1.10 5.10 -0.19 2.92 1.01 -0.07 -0.81 121.20 130.26 3m4s s ILE 24 Ca -0.07 1.18 -0.14 0.00 0.00 0.00 0.00 60.65 61.61 3m4s s ILE 24 Cb -0.14 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.47 3m4s s ILE 24 CO -0.01 0.31 0.48 0.00 0.00 0.00 0.00 174.94 175.73 3m4s n ASN 26 N 3.57 -0.29 -0.51 0.00 5.03 -1.26 -1.33 115.26 120.47 3m4s n ASN 26 Ca -0.18 -1.12 -0.07 0.00 0.87 0.00 0.00 54.58 54.08 3m4s n ASN 26 Cb 0.56 -2.39 -0.03 0.00 -1.02 0.00 0.00 39.78 36.91 3m4s n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3m4s n GLY 27 N -2.08 0.85 3.25 7.41 0.00 -1.26 -5.00 105.19 108.36 3m4s n GLY 27 Ca -0.25 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 3m4s n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m4s s MET 28 N -2.62 1.05 -0.17 1.61 -1.94 -0.44 -2.56 119.30 114.22 3m4s s MET 28 Ca 0.00 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.66 3m4s s MET 28 Cb 0.00 -0.81 0.02 0.00 2.01 0.00 0.00 34.83 36.05 3m4s s MET 28 CO 0.00 0.14 -0.19 0.08 -0.01 0.00 0.00 175.02 175.04 3m4s s VAL 29 N -2.59 1.91 -0.39 -6.03 1.01 0.90 -0.23 120.40 114.99 3m4s s VAL 29 Ca 0.12 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3m4s s VAL 29 Cb -0.02 -1.74 0.07 0.00 0.00 0.00 0.00 36.38 34.68 3m4s s VAL 29 CO 0.02 0.52 0.20 -0.31 0.00 0.00 0.00 175.10 175.53 3m4s s TYR 30 N 1.29 3.33 -0.17 5.22 2.02 0.01 -0.95 117.35 128.09 3m4s s TYR 30 Ca 0.03 -1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 55.05 3m4s s TYR 30 Cb -0.13 -2.74 -0.05 0.00 -0.40 0.00 0.00 41.96 38.64 3m4s s TYR 30 CO -0.11 -0.81 0.24 0.00 -1.57 0.00 0.00 175.55 173.29 3m4s n SER 32 N 3.53 -3.44 -4.57 0.00 7.64 0.11 -3.21 113.62 113.69 3m4s n SER 32 Ca -0.13 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.42 3m4s n SER 32 Cb 0.52 -0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 3m4s n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3m4s s GLY 33 N -1.45 1.09 0.14 0.23 0.00 -1.26 -4.38 107.32 101.68 3m4s s GLY 33 Ca 0.47 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.88 3m4s s GLY 33 CO 0.71 2.51 0.96 1.20 0.00 0.00 0.00 173.10 178.47 3m4s s GLN 34 N 5.08 4.73 0.53 2.90 -1.52 0.77 -4.78 119.66 127.36 3m4s s GLN 34 Ca 0.40 1.46 0.06 0.00 -1.95 0.00 0.00 55.36 55.33 3m4s s GLN 34 Cb -0.08 -3.36 0.03 0.00 -0.22 0.00 0.00 33.01 29.39 3m4s s GLN 34 CO 0.22 0.27 0.44 0.96 -0.25 0.00 0.00 175.29 176.93 3m4s s ILE 35 N -0.23 1.87 -0.30 1.08 -4.36 -1.26 -0.87 121.20 117.13 3m4s s ILE 35 Ca 0.46 -1.42 -0.00 0.00 -0.26 0.00 0.00 60.65 59.43 3m4s s ILE 35 Cb -0.24 -2.29 0.26 0.00 1.25 0.00 0.00 42.46 41.44 3m4s s ILE 35 CO 0.30 0.00 1.84 0.61 0.24 0.00 0.00 174.94 177.93 3m4s n GLY 36 N -1.77 3.88 3.86 6.27 0.00 -1.26 -4.53 105.19 111.63 3m4s n GLY 36 Ca 0.01 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3m4s n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4s s LEU 37 N -1.82 3.69 -0.30 0.99 1.43 -1.26 -1.31 118.68 120.10 3m4s s LEU 37 Ca 0.31 1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.67 3m4s s LEU 37 Cb 0.25 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 3m4s s LEU 37 CO 0.01 -0.52 0.16 -0.62 0.23 0.00 0.00 176.35 175.62 3m4s s ASP 38 N -3.19 5.70 0.34 2.29 -1.08 0.20 -4.70 116.67 116.22 3m4s s ASP 38 Ca 0.55 -0.31 0.13 0.00 -0.52 0.00 0.00 52.55 52.41 3m4s s ASP 38 Cb -0.10 -2.05 1.03 0.00 -1.46 0.00 0.00 42.92 40.34 3m4s s ASP 38 CO 0.33 -0.13 1.69 -0.09 0.52 0.00 0.00 175.17 177.49 3m4s h ARG 39 N 8.36 0.41 0.00 4.34 9.65 -1.85 0.77 114.38 136.05 3m4s h ARG 39 Ca -0.34 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.49 3m4s h ARG 39 Cb 1.17 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 3m4s h ARG 39 CO 0.59 0.27 -0.12 0.87 2.80 0.00 0.00 179.97 184.38 3m4s h LYS 40 N 0.42 0.00 0.00 0.20 1.57 -1.93 -3.20 116.57 113.63 3m4s h LYS 40 Ca 0.70 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.42 3m4s h LYS 40 Cb 1.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 3m4s h LYS 40 CO -0.53 0.12 -1.49 0.25 -0.57 0.00 0.00 179.45 177.23 3m4s n THR 41 N -3.30 0.20 -0.92 -0.16 -2.24 0.69 -4.98 114.28 103.56 3m4s n THR 41 Ca -0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3m4s n THR 41 Cb 0.35 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3m4s n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m4s n GLY 42 N 2.13 0.14 3.60 3.38 0.00 0.23 -4.98 105.19 109.69 3m4s n GLY 42 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 3m4s n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m4s s ASP 43 N -2.05 3.95 0.31 1.61 2.15 -1.24 -4.88 116.67 116.51 3m4s s ASP 43 Ca 0.00 -1.14 -0.29 0.00 0.43 0.00 0.00 52.55 51.54 3m4s s ASP 43 Cb 0.00 -0.43 -0.12 0.00 -0.30 0.00 0.00 42.92 42.07 3m4s s ASP 43 CO 0.00 -0.27 1.46 0.49 -0.17 0.00 0.00 175.17 176.68 3m4s n PHE 44 N -0.90 2.59 0.06 -5.34 3.72 -1.26 0.58 117.46 116.91 3m4s n PHE 44 Ca -0.04 0.40 0.20 0.00 -0.05 0.00 0.00 57.45 57.96 3m4s n PHE 44 Cb 0.64 -2.51 0.73 0.00 -0.94 0.00 0.00 39.48 37.40 3m4s n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m4s h ALA 45 N 3.75 2.27 0.00 4.37 0.00 -1.49 -3.44 119.26 124.72 3m4s h ALA 45 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3m4s h ALA 45 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3m4s h ALA 45 CO 0.71 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3m4s n GLY 46 N -1.56 -0.34 0.06 0.00 0.00 -1.26 -4.94 105.19 97.15 3m4s n GLY 46 Ca 0.08 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 45.22 3m4s n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m4s n LYS 47 N -0.23 0.29 -3.72 1.61 4.76 -1.26 -4.45 118.16 115.16 3m4s n LYS 47 Ca 0.00 -0.12 -0.24 0.00 -2.87 0.00 0.00 58.31 55.08 3m4s n LYS 47 Cb 0.00 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 3m4s n LYS 47 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3m4s s THR 48 N -2.79 5.21 0.37 -0.18 -4.23 -1.26 -4.99 115.64 107.76 3m4s s THR 48 Ca 0.18 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 60.12 3m4s s THR 48 Cb 0.19 -3.81 0.21 0.00 1.34 0.00 0.00 72.50 70.43 3m4s s THR 48 CO 0.57 -0.33 1.96 -0.29 -0.54 0.00 0.00 174.62 176.00 3m4s h ILE 49 N 1.21 1.16 0.02 2.99 6.09 -1.98 -1.72 117.51 125.27 3m4s h ILE 49 Ca -0.50 -0.49 -0.00 0.00 -1.37 0.00 0.00 64.86 62.50 3m4s h ILE 49 Cb 1.21 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.19 3m4s h ILE 49 CO 0.64 0.19 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.57 3m4s h GLU 50 N 0.56 -0.02 -0.22 2.19 3.07 -1.94 0.18 114.58 118.41 3m4s h GLU 50 Ca 0.14 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 3m4s h GLU 50 Cb 0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3m4s h GLU 50 CO -0.01 0.13 -0.11 0.93 -1.40 0.00 0.00 179.01 178.55 3m4s h GLU 51 N -0.16 0.46 -0.45 2.33 5.08 -1.83 -2.12 114.58 117.88 3m4s h GLU 51 Ca -0.00 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3m4s h GLU 51 Cb 0.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3m4s h GLU 51 CO 0.00 0.74 -0.05 1.96 -1.00 0.00 0.00 179.01 180.66 3m4s h GLN 52 N 0.17 0.78 -0.07 2.33 4.20 -1.29 -0.90 115.11 120.33 3m4s h GLN 52 Ca 0.05 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3m4s h GLN 52 Cb 0.60 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3m4s h GLN 52 CO 0.03 0.82 0.02 0.77 -0.67 0.00 0.00 178.83 179.80 3m4s h SER 53 N 0.72 0.10 -0.53 1.46 0.02 -0.62 0.17 113.55 114.86 3m4s h SER 53 Ca 0.13 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3m4s h SER 53 Cb 0.51 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 3m4s h SER 53 CO 0.03 0.30 0.18 0.11 -1.14 0.00 0.00 176.83 176.31 3m4s h LYS 54 N -0.10 0.35 -0.52 3.45 1.57 -1.19 -0.90 116.57 119.24 3m4s h LYS 54 Ca 0.02 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3m4s h LYS 54 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3m4s h LYS 54 CO 0.00 0.23 -0.04 0.37 -0.57 0.00 0.00 179.45 179.44 3m4s h GLN 55 N 0.36 0.90 -0.49 3.15 5.75 -0.95 0.31 115.11 124.14 3m4s h GLN 55 Ca 0.26 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3m4s h GLN 55 Cb 0.30 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3m4s h GLN 55 CO -0.27 0.92 0.26 0.28 -2.65 0.00 0.00 178.83 177.37 3m4s h VAL 56 N 0.83 1.18 -0.36 2.39 2.07 -0.20 0.42 116.25 122.57 3m4s h VAL 56 Ca 0.15 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 3m4s h VAL 56 Cb 0.55 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3m4s h VAL 56 CO 0.03 0.19 -0.32 0.24 0.02 0.00 0.00 177.57 177.73 3m4s h MET 57 N 0.65 0.80 -0.49 1.57 2.86 -0.60 -1.28 114.93 118.45 3m4s h MET 57 Ca 0.17 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3m4s h MET 57 Cb 0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3m4s h MET 57 CO -0.03 1.01 0.32 1.15 1.06 0.00 0.00 176.91 180.42 3m4s h THR 58 N 0.67 1.13 -0.98 2.22 2.02 0.00 -1.76 112.91 116.22 3m4s h THR 58 Ca 0.07 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3m4s h THR 58 Cb 0.87 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 3m4s h THR 58 CO 0.08 0.13 0.63 0.78 0.37 0.00 0.00 175.52 177.50 3m4s h ASN 59 N 0.66 1.15 -0.61 4.18 2.35 0.24 -0.16 115.58 123.38 3m4s h ASN 59 Ca 0.18 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 3m4s h ASN 59 Cb -0.07 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 3m4s h ASN 59 CO -0.04 0.85 0.04 -0.07 -1.65 0.00 0.00 177.43 176.56 3m4s h LEU 60 N 1.34 1.03 -0.06 1.61 3.38 -0.98 -1.53 115.31 120.10 3m4s h LEU 60 Ca 0.36 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3m4s h LEU 60 Cb -0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 3m4s h LEU 60 CO -0.07 1.07 -0.01 0.50 0.09 0.00 0.00 178.44 180.01 3m4s h LYS 61 N 0.96 0.00 -0.38 1.13 3.64 -0.82 0.63 116.57 121.73 3m4s h LYS 61 Ca 0.18 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 3m4s h LYS 61 Cb 0.51 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 3m4s h LYS 61 CO 0.02 0.00 -0.02 1.88 -2.27 0.00 0.00 179.45 179.07 3m4s h TYR 62 N 0.00 -0.05 0.04 1.91 0.05 -0.74 0.29 116.97 118.45 3m4s h TYR 62 Ca 0.03 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 3m4s h TYR 62 Cb 0.04 0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.86 3m4s h TYR 62 CO -0.12 -0.09 -0.02 0.28 -1.05 0.00 0.00 178.16 177.16 3m4s h VAL 63 N 0.08 1.01 -0.65 -2.88 2.07 -1.08 0.00 116.25 114.81 3m4s h VAL 63 Ca 0.19 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3m4s h VAL 63 Cb 0.27 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3m4s h VAL 63 CO -0.33 0.04 0.36 -0.07 0.02 0.00 0.00 177.57 177.60 3m4s h LEU 64 N -0.12 0.80 -0.51 2.57 3.38 -0.30 -0.50 115.31 120.63 3m4s h LEU 64 Ca -0.00 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3m4s h LEU 64 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3m4s h LEU 64 CO 0.01 0.65 -0.21 -0.08 0.09 0.00 0.00 178.44 178.90 3m4s h GLU 65 N 0.88 0.99 -0.77 1.13 4.22 -0.27 -0.66 114.58 120.10 3m4s h GLU 65 Ca 0.23 -0.42 0.05 0.00 0.08 0.00 0.00 59.36 59.30 3m4s h GLU 65 Cb 0.02 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3m4s h GLU 65 CO -0.04 1.09 0.51 1.49 -2.18 0.00 0.00 179.01 179.88 3m4s h GLU 66 N 0.86 0.86 0.00 1.92 4.57 -0.46 -2.54 114.58 119.78 3m4s h GLU 66 Ca 0.11 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3m4s h GLU 66 Cb 0.78 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3m4s h GLU 66 CO 0.07 0.57 0.00 0.00 -1.18 0.00 0.00 179.01 178.46 3m4s n ALA 67 N -2.43 1.68 -0.32 2.92 0.00 -0.24 -4.84 120.51 117.27 3m4s n ALA 67 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3m4s n ALA 67 Cb 0.17 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3m4s n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m4s n GLY 68 N 0.03 0.82 0.00 0.00 0.00 -0.96 -5.01 105.19 100.08 3m4s n GLY 68 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3m4s n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m4s n SER 69 N 0.00 0.65 -3.83 1.61 2.88 -0.34 -4.82 113.62 109.77 3m4s n SER 69 Ca 0.00 -0.59 -0.06 0.00 -1.33 0.00 0.00 58.87 56.89 3m4s n SER 69 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3m4s n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3m4s s SER 70 N -0.73 -0.24 0.33 -3.46 1.04 -1.26 -3.96 113.70 105.42 3m4s s SER 70 Ca 0.00 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.87 3m4s s SER 70 Cb 0.00 0.68 0.56 0.00 0.10 0.00 0.00 66.02 67.36 3m4s s SER 70 CO 0.00 -1.26 1.98 0.24 0.98 0.00 0.00 173.24 175.18 3m4s h MET 71 N 2.00 0.94 0.00 4.02 2.86 -1.93 -0.89 114.93 121.93 3m4s h MET 71 Ca -0.20 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3m4s h MET 71 Cb 1.25 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3m4s h MET 71 CO 0.24 0.62 0.00 -0.44 1.06 0.00 0.00 176.91 178.39 3m4s h ASP 72 N 0.97 0.00 -0.69 1.22 3.32 -1.96 -1.74 116.42 117.54 3m4s h ASP 72 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3m4s h ASP 72 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3m4s h ASP 72 CO -0.07 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.74 3m4s n LYS 73 N -2.83 2.87 -2.62 3.56 5.02 -0.34 -4.91 118.16 118.90 3m4s n LYS 73 Ca -0.01 -2.64 -0.43 0.00 -2.02 0.00 0.00 58.31 53.20 3m4s n LYS 73 Cb 0.13 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 3m4s n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m4s s VAL 74 N -1.11 4.40 -0.01 -0.18 1.01 -0.66 -0.61 120.40 123.24 3m4s s VAL 74 Ca 0.47 1.55 0.15 0.00 0.00 0.00 0.00 61.98 64.16 3m4s s VAL 74 Cb 0.25 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 32.21 3m4s s VAL 74 CO 0.31 -0.67 1.53 -0.37 0.00 0.00 0.00 175.10 175.89 3m4s h VAL 75 N 5.92 0.96 -1.72 2.92 -1.51 -1.30 -3.40 116.25 118.12 3m4s h VAL 75 Ca -0.21 -2.10 0.06 0.00 -1.23 0.00 0.00 66.70 63.22 3m4s h VAL 75 Cb 1.06 2.29 -0.25 0.00 -2.13 0.00 0.00 31.29 32.27 3m4s h VAL 75 CO 1.07 0.50 0.27 -0.75 -1.23 0.00 0.00 177.57 177.43 3m4s s LYS 76 N -3.16 0.54 0.21 5.19 2.47 -0.58 -2.13 119.74 122.28 3m4s s LYS 76 Ca 0.02 0.84 0.11 0.00 -1.56 0.00 0.00 55.97 55.38 3m4s s LYS 76 Cb 0.09 0.16 -0.05 0.00 -1.46 0.00 0.00 37.83 36.57 3m4s s LYS 76 CO 0.73 -0.10 -0.22 0.95 0.16 0.00 0.00 175.35 176.88 3m4s s THR 77 N 1.11 2.26 -0.11 3.43 -4.23 0.00 0.06 115.64 118.16 3m4s s THR 77 Ca -0.06 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 58.36 3m4s s THR 77 Cb -0.04 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.69 3m4s s THR 77 CO -0.13 -0.24 -0.19 -0.89 -0.54 0.00 0.00 174.62 172.63 3m4s s THR 78 N -2.00 1.77 -0.20 3.99 2.01 -0.44 -1.15 115.64 119.63 3m4s s THR 78 Ca 0.22 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 3m4s s THR 78 Cb -0.07 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 3m4s s THR 78 CO 0.10 0.50 -0.05 0.00 -0.69 0.00 0.00 174.62 174.48 3m4s s LEU 80 N 1.17 2.35 0.09 0.00 1.02 0.11 -2.26 118.68 121.17 3m4s s LEU 80 Ca 0.02 -0.43 0.09 0.00 0.02 0.00 0.00 54.13 53.83 3m4s s LEU 80 Cb -0.14 -1.47 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 3m4s s LEU 80 CO -0.01 0.22 -0.20 -0.76 0.02 0.00 0.00 176.35 175.62 3m4s s LEU 81 N 0.03 2.60 0.21 1.79 1.43 -0.58 -0.32 118.68 123.84 3m4s s LEU 81 Ca -0.07 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3m4s s LEU 81 Cb -0.15 -1.48 0.15 0.00 0.03 0.00 0.00 46.19 44.73 3m4s s LEU 81 CO 0.05 0.20 1.49 0.00 0.23 0.00 0.00 176.35 178.33 3m4s h ALA 82 N 4.03 0.72 -3.29 4.21 0.00 -0.98 0.23 119.26 124.17 3m4s h ALA 82 Ca -0.49 -0.59 -0.44 0.00 0.00 0.00 0.00 54.91 53.38 3m4s h ALA 82 Cb 1.16 -0.08 -0.37 0.00 0.00 0.00 0.00 17.79 18.51 3m4s h ALA 82 CO 0.45 0.77 -0.77 0.34 0.00 0.00 0.00 179.25 180.04 3m4s s ASP 83 N -6.92 1.52 0.56 0.00 -1.08 -1.26 -4.68 116.67 104.81 3m4s s ASP 83 Ca -0.04 -0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.11 3m4s s ASP 83 Cb 0.11 -0.51 1.52 0.00 -1.46 0.00 0.00 42.92 42.59 3m4s s ASP 83 CO 0.82 -0.15 2.08 -0.29 0.52 0.00 0.00 175.17 178.15 3m4s h ILE 84 N 6.26 0.63 0.00 4.11 6.09 -1.93 -0.74 117.51 131.91 3m4s h ILE 84 Ca -0.26 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 3m4s h ILE 84 Cb 1.13 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.26 3m4s h ILE 84 CO 0.34 0.00 0.00 0.11 -3.07 0.00 0.00 178.15 175.53 3m4s h LYS 85 N 0.00 0.00 -0.14 2.19 6.56 -2.00 -2.51 116.57 120.68 3m4s h LYS 85 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 3m4s h LYS 85 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 3m4s h LYS 85 CO -0.00 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 177.14 3m4s n ASP 86 N -2.59 1.10 0.05 0.86 8.00 -0.28 -4.57 116.55 119.12 3m4s n ASP 86 Ca -0.01 -1.71 -0.12 0.00 0.71 0.00 0.00 54.79 53.66 3m4s n ASP 86 Cb 0.14 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 3m4s n ASP 86 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3m4s h PHE 87 N 1.39 -0.05 -0.57 1.24 3.57 -1.62 -0.75 116.94 120.14 3m4s h PHE 87 Ca 0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3m4s h PHE 87 Cb 0.31 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3m4s h PHE 87 CO 0.09 0.05 0.05 0.78 -2.23 0.00 0.00 178.31 177.05 3m4s h GLY 88 N -0.14 1.02 0.79 2.40 0.00 -1.86 0.60 103.07 105.88 3m4s h GLY 88 Ca -0.01 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 3m4s h GLY 88 CO 0.01 0.63 -0.14 -2.08 0.00 0.00 0.00 176.54 174.96 3m4s h VAL 89 N 0.89 1.33 -0.83 4.60 2.07 -1.86 0.49 116.25 122.93 3m4s h VAL 89 Ca 0.17 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.44 3m4s h VAL 89 Cb 0.45 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3m4s h VAL 89 CO 0.02 0.38 0.55 0.15 0.02 0.00 0.00 177.57 178.69 3m4s h PHE 90 N 0.08 1.05 -0.35 1.57 3.57 -0.94 -2.75 116.94 119.18 3m4s h PHE 90 Ca 0.03 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3m4s h PHE 90 Cb 0.66 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3m4s h PHE 90 CO 0.08 0.66 0.21 -0.97 -2.23 0.00 0.00 178.31 176.06 3m4s h ASN 91 N 1.13 0.34 -0.62 0.41 -1.24 0.52 0.20 115.58 116.32 3m4s h ASN 91 Ca 0.31 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.38 3m4s h ASN 91 Cb -0.13 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 38.81 3m4s h ASN 91 CO -0.07 0.25 0.41 1.23 -1.29 0.00 0.00 177.43 177.96 3m4s h GLY 92 N 0.42 0.75 0.77 1.57 0.00 -0.67 0.18 103.07 106.10 3m4s h GLY 92 Ca 0.14 -0.24 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 3m4s h GLY 92 CO -0.06 0.18 -1.20 -2.22 0.00 0.00 0.00 176.54 173.23 3m4s h ILE 93 N 0.59 1.27 -0.50 2.60 2.04 -1.11 -2.35 117.51 120.06 3m4s h ILE 93 Ca 0.27 -2.52 0.09 0.00 1.00 0.00 0.00 64.86 63.70 3m4s h ILE 93 Cb 0.30 2.99 -0.08 0.00 -0.74 0.00 0.00 36.82 39.28 3m4s h ILE 93 CO -0.08 0.74 0.02 0.22 0.00 0.00 0.00 178.15 179.05 3m4s h TYR 94 N -0.22 0.01 -0.02 1.37 3.20 -0.40 -0.31 116.97 120.60 3m4s h TYR 94 Ca -0.23 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.70 3m4s h TYR 94 Cb 1.82 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 40.13 3m4s h TYR 94 CO 0.15 -0.09 -0.12 0.00 -1.64 0.00 0.00 178.16 176.47 3m4s h ALA 95 N 1.43 -0.12 -0.69 1.82 0.00 -0.61 -2.02 119.26 119.08 3m4s h ALA 95 Ca 0.25 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3m4s h ALA 95 Cb 0.37 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3m4s h ALA 95 CO -0.39 -0.60 0.38 1.49 0.00 0.00 0.00 179.25 180.12 3m4s h GLU 96 N -0.19 0.68 0.00 0.00 4.81 -1.07 0.25 114.58 119.06 3m4s h GLU 96 Ca 0.05 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3m4s h GLU 96 Cb 0.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3m4s h GLU 96 CO -0.14 0.45 -0.18 0.00 -0.73 0.00 0.00 179.01 178.41 3m4s h ALA 97 N 1.36 1.65 0.00 2.92 0.00 -0.64 -2.97 119.26 121.58 3m4s h ALA 97 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3m4s h ALA 97 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3m4s h ALA 97 CO -0.19 0.23 -1.48 1.19 0.00 0.00 0.00 179.25 179.00 3m4s n PHE 98 N -4.26 0.23 0.00 0.00 3.72 -0.43 -5.02 117.46 111.70 3m4s n PHE 98 Ca -0.02 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3m4s n PHE 98 Cb 0.25 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 3m4s n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m4s n GLY 99 N 1.30 3.87 0.05 1.37 0.00 0.76 -1.30 105.19 111.24 3m4s n GLY 99 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3m4s n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3m4s n ASN 100 N 7.68 0.41 -4.74 1.61 0.23 -1.26 -4.81 115.26 114.38 3m4s n ASN 100 Ca 0.00 0.47 -0.40 0.00 -0.53 0.00 0.00 54.58 54.12 3m4s n ASN 100 Cb 0.00 -0.54 -0.05 0.00 -2.08 0.00 0.00 39.78 37.11 3m4s n ASN 100 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3m4s s HIS 101 N -3.05 3.69 -0.46 -2.53 5.65 -0.42 -5.00 115.29 113.18 3m4s s HIS 101 Ca 0.12 1.42 0.03 0.00 0.25 0.00 0.00 55.06 56.87 3m4s s HIS 101 Cb 0.16 -2.82 0.15 0.00 -1.18 0.00 0.00 32.58 28.89 3m4s s HIS 101 CO 0.58 0.22 0.30 0.15 -0.65 0.00 0.00 174.74 175.34 3m4s s LYS 102 N 0.18 1.23 0.81 2.88 1.02 -1.26 -4.75 119.74 119.85 3m4s s LYS 102 Ca 0.39 -2.11 -0.11 0.00 0.02 0.00 0.00 55.97 54.16 3m4s s LYS 102 Cb -0.20 -2.08 0.08 0.00 -0.52 0.00 0.00 37.83 35.11 3m4s s LYS 102 CO 0.22 -1.24 1.09 -2.14 -0.92 0.00 0.00 175.35 172.35 3m4s s PRO 103 N 0.14 1.94 0.86 -1.68 0.02 -1.26 -5.02 135.00 130.00 3m4s s PRO 103 Ca 0.23 0.99 -0.10 0.00 0.02 0.00 0.00 61.00 62.14 3m4s s PRO 103 Cb -0.14 -1.87 0.11 0.00 0.02 0.00 0.00 34.50 32.62 3m4s s PRO 103 CO -0.07 -1.82 1.12 0.00 -0.33 0.00 0.00 177.00 175.91 3m4s s ALA 104 N -2.94 1.78 -0.15 -1.55 0.00 -0.90 -4.82 121.76 113.18 3m4s s ALA 104 Ca 0.62 0.46 -0.22 0.00 0.00 0.00 0.00 51.96 52.82 3m4s s ALA 104 Cb -0.17 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.63 3m4s s ALA 104 CO 0.56 -2.37 0.56 0.50 0.00 0.00 0.00 175.76 175.01 3m4s s ARG 105 N -4.75 0.75 -0.01 0.00 3.52 -1.26 -0.82 118.95 116.38 3m4s s ARG 105 Ca 0.64 0.52 0.06 0.00 -0.13 0.00 0.00 55.73 56.83 3m4s s ARG 105 Cb -0.20 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 3m4s s ARG 105 CO 0.57 -0.15 -0.19 0.00 -0.81 0.00 0.00 175.30 174.72 3m4s s ALA 106 N -0.28 1.59 -0.01 6.12 0.00 -0.30 -4.95 121.76 123.93 3m4s s ALA 106 Ca -0.05 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3m4s s ALA 106 Cb -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3m4s s ALA 106 CO 0.03 0.39 -0.03 0.00 0.00 0.00 0.00 175.76 176.16 3m4s s PHE 108 N 0.23 -0.16 -0.19 0.00 -0.12 -0.96 -5.00 117.98 111.79 3m4s s PHE 108 Ca -0.02 -0.28 -0.11 0.00 -0.05 0.00 0.00 56.93 56.47 3m4s s PHE 108 Cb -0.05 0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 3m4s s PHE 108 CO -0.01 -1.18 0.17 0.00 -0.05 0.00 0.00 175.22 174.15 3m4s s ALA 109 N -3.92 3.66 0.60 1.99 0.00 -1.26 -1.52 121.76 121.31 3m4s s ALA 109 Ca 0.11 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 3m4s s ALA 109 Cb -0.05 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.85 3m4s s ALA 109 CO 0.06 0.13 0.91 0.00 0.00 0.00 0.00 175.76 176.85 3m4s s ALA 110 N 0.42 3.28 0.09 0.00 0.00 0.07 -4.89 121.76 120.73 3m4s s ALA 110 Ca 0.10 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 3m4s s ALA 110 Cb -0.12 -2.62 -0.10 0.00 0.00 0.00 0.00 23.12 20.29 3m4s s ALA 110 CO -0.00 -0.83 1.61 0.00 0.00 0.00 0.00 175.76 176.54 3m4s h ALA 111 N -0.20 0.24 -2.89 0.00 0.00 -1.89 -3.43 119.26 111.08 3m4s h ALA 111 Ca -0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3m4s h ALA 111 Cb 1.26 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3m4s h ALA 111 CO 0.61 -0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.74 3m4s s ALA 112 N -5.48 -0.87 0.25 0.00 0.00 -1.26 -5.01 121.76 109.39 3m4s s ALA 112 Ca -0.14 -0.35 0.09 0.00 0.00 0.00 0.00 51.96 51.56 3m4s s ALA 112 Cb 0.07 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 24.03 3m4s s ALA 112 CO 0.71 -0.86 -0.13 -0.51 0.00 0.00 0.00 175.76 174.97 3m4s s LEU 113 N -2.91 2.56 0.29 0.00 1.43 -1.26 -5.03 118.68 113.76 3m4s s LEU 113 Ca 0.12 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 51.86 3m4s s LEU 113 Cb -0.02 -0.79 -0.14 0.00 0.03 0.00 0.00 46.19 45.27 3m4s s LEU 113 CO 0.01 -0.16 1.16 -2.65 0.23 0.00 0.00 176.35 174.94 3m4s n PRO 114 N -0.52 1.67 -2.01 1.29 -0.02 -1.26 -2.22 135.00 131.93 3m4s n PRO 114 Ca -0.06 0.59 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 3m4s n PRO 114 Cb 0.61 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 3m4s n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3m4s n LYS 115 N 0.92 -1.29 -1.91 -0.52 5.02 -1.26 -1.33 118.16 117.78 3m4s n LYS 115 Ca 0.09 0.93 -0.18 0.00 -2.02 0.00 0.00 58.31 57.12 3m4s n LYS 115 Cb 0.33 -5.29 -0.05 0.00 -0.02 0.00 0.00 35.03 30.00 3m4s n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m4s n GLY 116 N -0.97 0.78 3.76 0.72 0.00 -0.94 -4.94 105.19 103.60 3m4s n GLY 116 Ca -0.19 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3m4s n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4s s ALA 117 N -2.79 3.59 -0.12 4.61 0.00 -0.45 -4.92 121.76 121.68 3m4s s ALA 117 Ca 0.00 1.44 0.19 0.00 0.00 0.00 0.00 51.96 53.59 3m4s s ALA 117 Cb 0.00 -3.57 0.38 0.00 0.00 0.00 0.00 23.12 19.93 3m4s s ALA 117 CO 0.00 -0.86 1.59 -0.07 0.00 0.00 0.00 175.76 176.42 3m4s h LEU 118 N 3.82 0.00 -7.19 0.00 3.38 -1.92 -3.38 115.31 110.03 3m4s h LEU 118 Ca -0.49 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 3m4s h LEU 118 Cb 1.23 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.77 3m4s h LEU 118 CO 0.70 0.33 -0.01 0.54 0.09 0.00 0.00 178.44 180.08 3m4s s VAL 119 N -3.21 0.02 -0.02 1.22 0.11 -1.26 -0.45 120.40 116.81 3m4s s VAL 119 Ca 0.03 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 3m4s s VAL 119 Cb 0.08 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3m4s s VAL 119 CO 0.70 -0.07 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.69 3m4s s GLU 120 N -0.76 0.22 -0.08 1.54 2.12 0.57 -4.13 118.70 118.17 3m4s s GLU 120 Ca -0.08 0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.28 3m4s s GLU 120 Cb -0.03 -0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.05 3m4s s GLU 120 CO 0.06 -0.06 -0.12 0.08 -0.54 0.00 0.00 175.26 174.68 3m4s s VAL 121 N 0.57 1.16 0.35 3.70 1.01 -0.05 0.09 120.40 127.23 3m4s s VAL 121 Ca -0.05 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3m4s s VAL 121 Cb -0.08 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3m4s s VAL 121 CO -0.01 0.37 0.13 -1.83 0.00 0.00 0.00 175.10 173.76 3m4s s GLU 122 N 0.91 2.32 0.21 2.72 -1.05 -0.68 -0.17 118.70 122.97 3m4s s GLU 122 Ca -0.10 -1.60 -0.19 0.00 -0.15 0.00 0.00 54.97 52.93 3m4s s GLU 122 Cb -0.15 -2.13 0.03 0.00 -0.44 0.00 0.00 34.13 31.44 3m4s s GLU 122 CO 0.01 0.09 0.59 0.00 0.95 0.00 0.00 175.26 176.90 3m4s s ILE 124 N -3.87 2.36 0.25 0.00 1.01 0.11 -0.78 121.20 120.29 3m4s s ILE 124 Ca 0.09 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3m4s s ILE 124 Cb -0.02 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 3m4s s ILE 124 CO -0.02 0.55 0.06 0.00 0.00 0.00 0.00 174.94 175.54 3m4s s ALA 125 N 0.25 1.77 0.19 9.38 0.00 -0.13 -0.81 121.76 132.42 3m4s s ALA 125 Ca -0.14 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.05 3m4s s ALA 125 Cb -0.17 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3m4s s ALA 125 CO 0.07 -0.39 0.06 -0.08 0.00 0.00 0.00 175.76 175.43 3m4s s THR 126 N -3.63 4.01 -2.04 0.00 -1.32 0.22 -0.07 115.64 112.81 3m4s s THR 126 Ca 0.34 -1.37 0.32 0.00 -1.21 0.00 0.00 61.69 59.77 3m4s s THR 126 Cb 0.07 -3.06 0.88 0.00 -1.51 0.00 0.00 72.50 68.88 3m4s s THR 126 CO 0.12 -0.16 2.19 0.18 -2.21 0.00 0.00 174.62 174.73