#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 3.55 -0.17 -5.58 1.02 -1.26 -4.53 118.68 111.70 3m4s s LEU 4 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.13 3m4s s LEU 4 Cb 0.00 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 3m4s s LEU 4 CO 0.00 0.22 -0.05 -0.89 0.02 0.00 0.00 176.35 175.65 3m4s s THR 5 N 0.08 3.62 -0.03 5.49 2.01 -0.55 -4.94 115.64 121.33 3m4s s THR 5 Ca 0.02 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 3m4s s THR 5 Cb -0.13 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 3m4s s THR 5 CO 0.02 0.47 0.98 -0.69 -0.69 0.00 0.00 174.62 174.71 3m4s s VAL 6 N 0.71 4.85 -0.18 3.82 1.01 -1.26 -0.29 120.40 129.06 3m4s s VAL 6 Ca -0.03 2.03 -0.14 0.00 0.00 0.00 0.00 61.98 63.85 3m4s s VAL 6 Cb -0.15 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 3m4s s VAL 6 CO 0.02 0.12 0.28 -0.69 0.00 0.00 0.00 175.10 174.84 3m4s s VAL 7 N 1.27 5.30 -0.32 2.92 1.01 -0.41 -4.94 120.40 125.24 3m4s s VAL 7 Ca 0.50 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 3m4s s VAL 7 Cb -0.20 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.68 3m4s s VAL 7 CO 0.25 0.37 0.17 0.00 0.00 0.00 0.00 175.10 175.88 3m4s s ALA 8 N 0.66 0.73 0.03 5.51 0.00 -1.26 -3.61 121.76 123.81 3m4s s ALA 8 Ca 0.15 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.41 3m4s s ALA 8 Cb -0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 3m4s s ALA 8 CO 0.04 -1.86 0.89 0.45 0.00 0.00 0.00 175.76 175.27 3m4s s SER 9 N 1.64 7.31 0.00 0.00 0.15 -1.26 -4.94 113.70 116.59 3m4s s SER 9 Ca 0.13 1.57 0.19 0.00 0.70 0.00 0.00 55.95 58.54 3m4s s SER 9 Cb -0.19 -2.53 0.97 0.00 -1.71 0.00 0.00 66.02 62.56 3m4s s SER 9 CO -0.19 -0.13 1.57 -0.81 1.20 0.00 0.00 173.24 174.88 3m4s n PRO 10 N 3.38 0.31 -0.06 5.44 -0.04 -1.26 -3.34 135.00 139.43 3m4s n PRO 10 Ca 0.02 0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 3m4s n PRO 10 Cb 0.50 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.25 0.04 -4.87 1.53 4.77 -1.26 -4.92 117.00 111.04 3m4s n LEU 11 Ca 0.10 0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.78 3m4s n LEU 11 Cb 0.14 0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3m4s n LEU 11 CO 0.14 0.27 0.58 0.00 -1.33 0.00 0.00 177.39 177.05 3m4s s ALA 12 N -2.94 3.21 0.13 -1.18 0.00 -1.21 -4.49 121.76 115.27 3m4s s ALA 12 Ca -0.09 -0.08 -0.35 0.00 0.00 0.00 0.00 51.96 51.45 3m4s s ALA 12 Cb 0.09 -2.91 -0.16 0.00 0.00 0.00 0.00 23.12 20.14 3m4s s ALA 12 CO 0.86 -0.26 1.24 -2.30 0.00 0.00 0.00 175.76 175.31 3m4s n PRO 13 N -1.78 1.15 -1.75 0.00 -0.02 -1.26 -4.84 135.00 126.50 3m4s n PRO 13 Ca 0.04 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 3m4s n PRO 13 Cb 0.54 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3m4s n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3m4s n GLU 14 N 2.11 2.61 -2.55 -0.52 2.13 -1.26 -4.88 120.64 118.27 3m4s n GLU 14 Ca 0.17 0.92 -0.43 0.00 0.66 0.00 0.00 57.16 58.48 3m4s n GLU 14 Cb 0.22 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.27 3m4s n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3m4s n ALA 15 N 1.28 4.08 -3.08 4.31 0.00 -1.26 -4.93 120.51 120.91 3m4s n ALA 15 Ca 0.05 -4.01 -0.45 0.00 0.00 0.00 0.00 53.44 49.04 3m4s n ALA 15 Cb 0.37 -3.39 -0.07 0.00 0.00 0.00 0.00 19.45 16.37 3m4s n ALA 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3m4s s VAL 16 N 2.99 5.12 -0.17 0.00 -7.23 -1.26 -4.76 120.40 115.08 3m4s s VAL 16 Ca 0.49 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 3m4s s VAL 16 Cb 0.04 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.83 3m4s s VAL 16 CO 0.03 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.74 3m4s n GLY 17 N 5.19 0.65 2.13 2.32 0.00 -1.26 -4.89 105.19 109.33 3m4s n GLY 17 Ca -0.13 -2.31 -0.17 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.00 6.08 -2.66 4.61 0.00 -1.26 -4.75 120.51 121.53 3m4s n ALA 18 Ca 0.00 -2.02 -0.10 0.00 0.00 0.00 0.00 53.44 51.33 3m4s n ALA 18 Cb 0.00 -2.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.82 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 1.52 0.44 0.05 0.00 -0.85 -1.26 -5.17 117.35 112.08 3m4s s TYR 19 Ca 0.61 -0.81 0.08 0.00 -0.52 0.00 0.00 57.07 56.43 3m4s s TYR 19 Cb 0.26 -0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 3m4s s TYR 19 CO -0.01 -0.70 -0.22 -1.12 -1.52 0.00 0.00 175.55 171.98 3m4s s SER 20 N -2.98 2.59 0.32 -0.18 0.01 -1.26 -4.64 113.70 107.57 3m4s s SER 20 Ca 0.18 -0.54 0.10 0.00 1.31 0.00 0.00 55.95 57.00 3m4s s SER 20 Cb 0.04 -0.22 0.92 0.00 0.21 0.00 0.00 66.02 66.97 3m4s s SER 20 CO 0.00 0.17 1.71 1.56 0.41 0.00 0.00 173.24 177.10 3m4s h GLN 21 N 4.82 0.50 -2.58 12.44 4.20 -1.92 -3.40 115.11 129.17 3m4s h GLN 21 Ca -0.43 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 3m4s h GLN 21 Cb 1.16 -0.11 -0.15 0.00 0.30 0.00 0.00 27.48 28.68 3m4s h GLN 21 CO 0.44 0.33 0.27 0.00 -0.67 0.00 0.00 178.83 179.20 3m4s s ALA 22 N -5.76 -1.69 -0.06 3.87 0.00 -1.25 -0.10 121.76 116.77 3m4s s ALA 22 Ca -0.11 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.71 3m4s s ALA 22 Cb 0.28 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 3m4s s ALA 22 CO 0.79 -0.64 -0.19 0.42 0.00 0.00 0.00 175.76 176.14 3m4s s ILE 23 N -2.94 1.60 -0.12 0.00 -1.09 0.37 -1.28 121.20 117.73 3m4s s ILE 23 Ca -0.01 -0.79 -0.19 0.00 -2.23 0.00 0.00 60.65 57.43 3m4s s ILE 23 Cb -0.01 -1.38 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 3m4s s ILE 23 CO -0.07 0.46 0.53 -0.63 -1.23 0.00 0.00 174.94 174.00 3m4s s ILE 24 N 0.18 5.15 -0.06 2.92 1.01 0.60 -1.02 121.20 129.98 3m4s s ILE 24 Ca -0.09 1.06 -0.11 0.00 0.00 0.00 0.00 60.65 61.52 3m4s s ILE 24 Cb -0.14 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.48 3m4s s ILE 24 CO 0.04 0.29 0.27 0.00 0.00 0.00 0.00 174.94 175.54 3m4s n ASN 26 N 2.21 -0.87 0.00 0.00 3.02 -1.26 0.38 115.26 118.74 3m4s n ASN 26 Ca -0.17 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 3m4s n ASN 26 Cb 0.57 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3m4s n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m4s n GLY 27 N -1.64 0.70 3.35 7.41 0.00 -1.26 -5.01 105.19 108.74 3m4s n GLY 27 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.11 1.33 -0.20 1.61 -1.94 0.16 -1.79 119.30 118.36 3m4s s MET 28 Ca 0.00 -1.47 0.00 0.00 -1.71 0.00 0.00 55.69 52.51 3m4s s MET 28 Cb 0.00 -1.37 0.02 0.00 2.01 0.00 0.00 34.83 35.48 3m4s s MET 28 CO 0.00 0.27 -0.16 0.08 -0.01 0.00 0.00 175.02 175.20 3m4s s VAL 29 N -2.19 2.34 -0.37 -6.03 1.01 0.76 -0.32 120.40 115.60 3m4s s VAL 29 Ca 0.18 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 3m4s s VAL 29 Cb -0.05 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.32 3m4s s VAL 29 CO 0.08 0.45 0.19 -0.31 0.00 0.00 0.00 175.10 175.51 3m4s s TYR 30 N 1.31 3.25 -0.18 5.22 2.02 -0.19 -0.31 117.35 128.46 3m4s s TYR 30 Ca 0.04 -1.03 -0.11 0.00 -0.37 0.00 0.00 57.07 55.59 3m4s s TYR 30 Cb -0.14 -2.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.95 3m4s s TYR 30 CO -0.10 -0.66 0.19 0.00 -1.57 0.00 0.00 175.55 173.40 3m4s n SER 32 N 3.42 -3.89 -4.65 0.00 7.64 0.86 -3.21 113.62 113.80 3m4s n SER 32 Ca -0.15 0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 3m4s n SER 32 Cb 0.52 -0.98 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 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 -1.41 1.46 0.11 0.23 0.00 -1.26 -4.41 107.32 102.04 3m4s s GLY 33 Ca 0.50 0.81 -0.22 0.00 0.00 0.00 0.00 44.72 45.81 3m4s s GLY 33 CO 0.73 3.01 0.65 1.20 0.00 0.00 0.00 173.10 178.68 3m4s s GLN 34 N 4.17 4.34 0.38 2.90 -1.52 0.32 -4.84 119.66 125.41 3m4s s GLN 34 Ca 0.72 0.89 0.08 0.00 -1.95 0.00 0.00 55.36 55.10 3m4s s GLN 34 Cb -0.31 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.20 3m4s s GLN 34 CO 0.28 0.61 0.24 0.96 -0.25 0.00 0.00 175.29 177.14 3m4s s ILE 35 N -1.11 2.79 0.00 1.08 -4.36 -1.26 -2.31 121.20 116.03 3m4s s ILE 35 Ca 0.31 -1.55 -0.00 0.00 -0.26 0.00 0.00 60.65 59.15 3m4s s ILE 35 Cb -0.21 -3.02 -0.01 0.00 1.25 0.00 0.00 42.46 40.47 3m4s s ILE 35 CO 0.22 -0.08 1.45 0.61 0.24 0.00 0.00 174.94 177.38 3m4s n GLY 36 N -1.32 1.90 3.74 6.27 0.00 -1.26 -4.46 105.19 110.07 3m4s n GLY 36 Ca -0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.61 -0.45 0.99 1.43 -1.26 -0.40 118.68 123.60 3m4s s LEU 37 Ca 0.03 1.91 -0.20 0.00 -1.03 0.00 0.00 54.13 54.85 3m4s s LEU 37 Cb 0.01 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.66 3m4s s LEU 37 CO 0.00 0.10 0.59 -0.62 0.23 0.00 0.00 176.35 176.65 3m4s s ASP 38 N -0.88 6.27 0.35 2.29 -1.08 0.10 -4.69 116.67 119.03 3m4s s ASP 38 Ca 0.43 -0.53 0.16 0.00 -0.52 0.00 0.00 52.55 52.09 3m4s s ASP 38 Cb -0.25 -2.29 1.19 0.00 -1.46 0.00 0.00 42.92 40.10 3m4s s ASP 38 CO 0.31 -0.75 1.61 -0.09 0.52 0.00 0.00 175.17 176.77 3m4s h ARG 39 N 8.87 0.12 -0.34 4.34 9.65 -1.84 0.12 114.38 135.30 3m4s h ARG 39 Ca -0.26 -0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.51 3m4s h ARG 39 Cb 1.10 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3m4s h ARG 39 CO 0.88 0.08 -0.23 0.87 2.80 0.00 0.00 179.97 184.37 3m4s h LYS 40 N 0.13 0.66 0.00 0.20 1.57 -1.93 -3.14 116.57 114.06 3m4s h LYS 40 Ca 0.78 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3m4s h LYS 40 Cb 1.92 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.20 3m4s h LYS 40 CO -0.72 0.84 -1.13 0.25 -0.57 0.00 0.00 179.45 178.12 3m4s n THR 41 N -4.11 0.08 -1.83 -0.16 -2.24 -0.49 -4.97 114.28 100.56 3m4s n THR 41 Ca -0.00 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 3m4s n THR 41 Cb 0.42 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.40 0.65 3.77 3.38 0.00 0.31 -4.97 105.19 109.74 3m4s n GLY 42 Ca 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.62 0.04 0.22 1.61 -1.08 -1.20 -4.97 116.67 108.67 3m4s s ASP 43 Ca 0.00 -1.05 -0.32 0.00 -0.52 0.00 0.00 52.55 50.66 3m4s s ASP 43 Cb 0.00 0.79 -0.13 0.00 -1.46 0.00 0.00 42.92 42.12 3m4s s ASP 43 CO 0.00 -1.54 1.60 0.49 0.52 0.00 0.00 175.17 176.24 3m4s n PHE 44 N -0.51 2.53 -0.27 -5.34 3.72 -1.26 0.02 117.46 116.35 3m4s n PHE 44 Ca -0.06 0.22 0.08 0.00 -0.05 0.00 0.00 57.45 57.64 3m4s n PHE 44 Cb 0.60 -2.58 0.21 0.00 -0.94 0.00 0.00 39.48 36.77 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 5.65 0.99 -2.97 4.37 0.00 -1.03 -3.44 119.26 122.84 3m4s h ALA 45 Ca -0.45 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3m4s h ALA 45 Cb 1.23 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3m4s h ALA 45 CO 0.87 -0.42 0.29 0.20 0.00 0.00 0.00 179.25 180.18 3m4s s GLY 46 N -3.77 0.30 0.00 0.00 0.00 -1.26 -4.96 107.32 97.63 3m4s s GLY 46 Ca -0.13 -0.67 0.21 0.00 0.00 0.00 0.00 44.72 44.13 3m4s s GLY 46 CO 0.76 -0.12 1.48 0.28 0.00 0.00 0.00 173.10 175.50 3m4s n LYS 47 N -0.53 2.04 -4.41 2.90 4.76 -1.26 -4.52 118.16 117.14 3m4s n LYS 47 Ca -0.08 -1.57 -0.25 0.00 -2.87 0.00 0.00 58.31 53.54 3m4s n LYS 47 Cb 0.60 -1.44 -0.09 0.00 -1.84 0.00 0.00 35.03 32.26 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 -1.67 2.42 0.25 -0.18 -4.23 -1.26 -5.02 115.64 105.94 3m4s s THR 48 Ca 0.34 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.82 3m4s s THR 48 Cb 0.19 -2.80 0.09 0.00 1.34 0.00 0.00 72.50 71.32 3m4s s THR 48 CO 0.28 -0.16 1.72 -0.29 -0.54 0.00 0.00 174.62 175.64 3m4s h ILE 49 N 1.82 1.25 0.14 2.99 6.09 -1.95 -2.47 117.51 125.39 3m4s h ILE 49 Ca -0.43 -1.10 -0.01 0.00 -1.37 0.00 0.00 64.86 61.96 3m4s h ILE 49 Cb 1.25 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.51 3m4s h ILE 49 CO 0.70 0.38 -0.07 -0.33 -3.07 0.00 0.00 178.15 175.76 3m4s h GLU 50 N 0.72 -0.19 -0.26 2.19 3.07 -1.95 0.37 114.58 118.54 3m4s h GLU 50 Ca 0.13 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 3m4s h GLU 50 Cb 0.53 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3m4s h GLU 50 CO 0.03 0.07 0.14 0.93 -1.40 0.00 0.00 179.01 178.77 3m4s h GLU 51 N -0.43 0.36 -0.57 2.33 5.08 -1.92 -1.51 114.58 117.93 3m4s h GLU 51 Ca -0.02 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3m4s h GLU 51 Cb 0.34 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3m4s h GLU 51 CO 0.03 0.33 0.00 1.96 -1.00 0.00 0.00 179.01 180.33 3m4s h GLN 52 N 0.30 0.98 -0.38 2.33 4.20 -1.32 0.15 115.11 121.37 3m4s h GLN 52 Ca 0.09 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 3m4s h GLN 52 Cb 0.07 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3m4s h GLN 52 CO -0.01 0.96 0.14 0.77 -0.67 0.00 0.00 178.83 180.02 3m4s h SER 53 N 0.90 0.53 -0.58 1.46 0.02 -0.12 0.49 113.55 116.24 3m4s h SER 53 Ca 0.17 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3m4s h SER 53 Cb 0.52 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3m4s h SER 53 CO 0.03 0.56 0.33 0.11 -1.14 0.00 0.00 176.83 176.71 3m4s h LYS 54 N 0.46 0.61 -0.26 3.45 1.57 -0.83 -0.64 116.57 120.93 3m4s h LYS 54 Ca 0.12 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3m4s h LYS 54 Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3m4s h LYS 54 CO -0.01 0.40 -0.37 0.37 -0.57 0.00 0.00 179.45 179.27 3m4s h GLN 55 N 0.63 0.59 -0.32 3.15 5.75 -0.12 -1.62 115.11 123.17 3m4s h GLN 55 Ca 0.25 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3m4s h GLN 55 Cb 0.11 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 3m4s h GLN 55 CO -0.14 0.87 0.20 0.28 -2.65 0.00 0.00 178.83 177.39 3m4s h VAL 56 N 0.49 1.09 -0.19 2.39 2.07 0.46 0.09 116.25 122.65 3m4s h VAL 56 Ca 0.05 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 3m4s h VAL 56 Cb 0.87 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3m4s h VAL 56 CO 0.07 0.09 -0.17 0.24 0.02 0.00 0.00 177.57 177.82 3m4s h MET 57 N 0.42 0.33 -0.11 1.57 2.86 -0.95 -2.09 114.93 116.95 3m4s h MET 57 Ca 0.11 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3m4s h MET 57 Cb -0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3m4s h MET 57 CO -0.02 0.50 0.02 1.15 1.06 0.00 0.00 176.91 179.61 3m4s h THR 58 N 0.30 1.22 -0.40 2.22 2.02 -1.09 -2.69 112.91 114.49 3m4s h THR 58 Ca 0.06 -0.70 0.03 0.00 0.77 0.00 0.00 66.41 66.56 3m4s h THR 58 Cb 0.49 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3m4s h THR 58 CO 0.03 0.20 0.21 0.78 0.37 0.00 0.00 175.52 177.11 3m4s h ASN 59 N -0.04 0.32 -0.38 4.18 2.35 -0.65 -2.13 115.58 119.23 3m4s h ASN 59 Ca 0.03 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3m4s h ASN 59 Cb 0.30 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3m4s h ASN 59 CO 0.00 0.23 0.21 -0.07 -1.65 0.00 0.00 177.43 176.16 3m4s h LEU 60 N 0.42 0.34 -0.55 1.61 3.38 -1.39 -1.83 115.31 117.29 3m4s h LEU 60 Ca 0.17 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.25 3m4s h LEU 60 Cb 0.06 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 3m4s h LEU 60 CO -0.10 0.25 -0.17 0.11 0.09 0.00 0.00 178.44 178.62 3m4s h LYS 61 N 0.43 -0.03 -0.24 1.13 1.57 -1.07 0.62 116.57 118.98 3m4s h LYS 61 Ca 0.15 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3m4s h LYS 61 Cb 0.02 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 3m4s h LYS 61 CO -0.08 -0.02 -0.15 1.88 -0.57 0.00 0.00 179.45 180.51 3m4s h TYR 62 N -0.03 -0.37 0.96 -1.35 0.05 -0.74 0.55 116.97 116.03 3m4s h TYR 62 Ca 0.26 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 59.03 3m4s h TYR 62 Cb 0.43 0.20 0.01 0.00 1.01 0.00 0.00 36.73 38.38 3m4s h TYR 62 CO -0.48 -0.22 -0.46 0.28 -1.05 0.00 0.00 178.16 176.22 3m4s h VAL 63 N -0.13 0.05 -0.48 -2.88 2.07 -0.60 0.12 116.25 114.40 3m4s h VAL 63 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3m4s h VAL 63 Cb 0.33 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.06 3m4s h VAL 63 CO -0.32 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 176.99 3m4s h LEU 64 N -1.29 -0.72 -0.82 2.57 3.38 -0.72 0.44 115.31 118.16 3m4s h LEU 64 Ca -0.13 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3m4s h LEU 64 Cb 0.99 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 42.09 3m4s h LEU 64 CO 0.21 -0.24 0.53 -0.33 0.09 0.00 0.00 178.44 178.70 3m4s h GLU 65 N -0.10 1.01 -0.75 1.13 5.08 0.24 0.64 114.58 121.82 3m4s h GLU 65 Ca 0.23 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3m4s h GLU 65 Cb 0.45 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3m4s h GLU 65 CO -0.55 0.67 0.36 1.49 -1.00 0.00 0.00 179.01 179.98 3m4s h GLU 66 N 1.04 1.07 0.00 2.33 4.57 0.94 -1.63 114.58 122.90 3m4s h GLU 66 Ca 0.32 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3m4s h GLU 66 Cb -0.01 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.38 3m4s h GLU 66 CO -0.11 0.82 0.00 0.00 -1.18 0.00 0.00 179.01 178.54 3m4s h ALA 67 N 1.33 1.00 0.00 2.92 0.00 0.77 -3.46 119.26 121.82 3m4s h ALA 67 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3m4s h ALA 67 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3m4s h ALA 67 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 3m4s n GLY 68 N -0.57 0.85 0.00 0.00 0.00 -0.61 -5.04 105.19 99.83 3m4s n GLY 68 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.21 0.81 -3.60 1.61 2.88 0.21 -4.85 113.62 110.88 3m4s n SER 69 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 3m4s n SER 69 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.20 -0.06 0.14 -3.46 1.04 -1.26 -3.68 113.70 106.62 3m4s s SER 70 Ca 0.00 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.20 3m4s s SER 70 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3m4s s SER 70 CO 0.00 -0.21 1.69 0.24 0.98 0.00 0.00 173.24 175.95 3m4s h MET 71 N 2.00 0.61 -0.89 4.02 2.86 -1.94 0.16 114.93 121.74 3m4s h MET 71 Ca -0.25 -0.10 0.32 0.00 -2.06 0.00 0.00 59.70 57.60 3m4s h MET 71 Cb 1.19 -0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.65 3m4s h MET 71 CO 0.27 0.56 0.56 -0.25 1.06 0.00 0.00 176.91 179.11 3m4s n ASP 72 N -4.65 0.16 -1.08 1.22 8.00 -1.26 -0.84 116.55 118.10 3m4s n ASP 72 Ca 0.00 0.97 0.11 0.00 0.71 0.00 0.00 54.79 56.59 3m4s n ASP 72 Cb 0.14 -0.48 0.19 0.00 -0.02 0.00 0.00 41.12 40.95 3m4s n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m4s n LYS 73 N -4.13 2.40 -2.28 -1.24 5.02 0.57 -4.93 118.16 113.57 3m4s n LYS 73 Ca 0.27 -2.19 -0.42 0.00 -2.02 0.00 0.00 58.31 53.95 3m4s n LYS 73 Cb 1.03 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.53 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 -1.47 3.66 -0.16 -0.18 1.01 -0.02 -0.46 120.40 122.78 3m4s s VAL 74 Ca 0.36 1.18 0.17 0.00 0.00 0.00 0.00 61.98 63.68 3m4s s VAL 74 Cb 0.21 -3.75 -0.25 0.00 0.00 0.00 0.00 36.38 32.59 3m4s s VAL 74 CO 0.30 0.08 0.25 1.33 0.00 0.00 0.00 175.10 177.05 3m4s n VAL 75 N 4.03 1.34 -3.68 2.92 0.24 0.05 -4.52 118.33 118.71 3m4s n VAL 75 Ca 0.11 -0.82 -0.10 0.00 -2.04 0.00 0.00 64.34 61.49 3m4s n VAL 75 Cb 0.44 -0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 32.15 3m4s n VAL 75 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3m4s s LYS 76 N -2.59 0.50 0.21 7.34 2.47 -1.06 -0.98 119.74 125.64 3m4s s LYS 76 Ca -0.08 0.90 0.11 0.00 -1.56 0.00 0.00 55.97 55.33 3m4s s LYS 76 Cb 0.07 0.06 -0.04 0.00 -1.46 0.00 0.00 37.83 36.45 3m4s s LYS 76 CO 0.83 -0.15 -0.19 0.95 0.16 0.00 0.00 175.35 176.96 3m4s s THR 77 N 1.33 2.60 -0.14 3.43 -4.23 -0.82 -0.89 115.64 116.92 3m4s s THR 77 Ca -0.09 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 3m4s s THR 77 Cb -0.07 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.49 3m4s s THR 77 CO -0.13 -0.19 -0.22 -0.89 -0.54 0.00 0.00 174.62 172.65 3m4s s THR 78 N -1.90 2.10 -0.13 3.99 2.01 -0.49 -1.07 115.64 120.15 3m4s s THR 78 Ca 0.24 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.30 3m4s s THR 78 Cb -0.07 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.60 3m4s s THR 78 CO 0.13 0.55 -0.21 0.00 -0.69 0.00 0.00 174.62 174.40 3m4s s LEU 80 N 0.61 1.98 -0.04 0.00 1.02 0.87 -2.13 118.68 120.99 3m4s s LEU 80 Ca -0.11 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.52 3m4s s LEU 80 Cb -0.16 -1.32 -0.03 0.00 0.02 0.00 0.00 46.19 44.70 3m4s s LEU 80 CO 0.03 0.07 -0.07 -0.76 0.02 0.00 0.00 176.35 175.64 3m4s s LEU 81 N 0.80 3.15 0.39 1.79 1.43 0.45 -1.18 118.68 125.51 3m4s s LEU 81 Ca -0.09 -0.08 0.20 0.00 -1.03 0.00 0.00 54.13 53.13 3m4s s LEU 81 Cb -0.16 -1.73 0.76 0.00 0.03 0.00 0.00 46.19 45.09 3m4s s LEU 81 CO -0.00 0.33 1.77 0.00 0.23 0.00 0.00 176.35 178.68 3m4s h ALA 82 N 4.97 1.03 -3.00 4.21 0.00 -1.62 0.14 119.26 124.99 3m4s h ALA 82 Ca -0.48 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 53.77 3m4s h ALA 82 Cb 1.17 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.53 3m4s h ALA 82 CO 0.53 0.42 -0.67 0.34 0.00 0.00 0.00 179.25 179.87 3m4s s ASP 83 N -6.41 1.25 0.56 0.00 -1.08 -1.26 -4.73 116.67 104.99 3m4s s ASP 83 Ca -0.00 -0.00 0.29 0.00 -0.52 0.00 0.00 52.55 52.31 3m4s s ASP 83 Cb 0.11 0.13 1.47 0.00 -1.46 0.00 0.00 42.92 43.17 3m4s s ASP 83 CO 0.68 -0.28 1.93 -0.29 0.52 0.00 0.00 175.17 177.73 3m4s h ILE 84 N 6.38 0.52 0.00 4.11 6.09 -1.94 0.20 117.51 132.87 3m4s h ILE 84 Ca -0.14 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 3m4s h ILE 84 Cb 1.13 0.64 0.00 0.00 0.47 0.00 0.00 36.82 39.06 3m4s h ILE 84 CO 0.20 0.00 0.00 2.29 -3.07 0.00 0.00 178.15 177.57 3m4s n LYS 85 N -4.06 0.16 0.00 2.19 2.85 -1.26 -1.37 118.16 116.68 3m4s n LYS 85 Ca 0.11 0.23 0.07 0.00 -1.05 0.00 0.00 58.31 57.67 3m4s n LYS 85 Cb 0.72 -1.72 0.44 0.00 -0.65 0.00 0.00 35.03 33.81 3m4s n LYS 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3m4s n ASP 86 N -2.00 0.00 0.06 -5.58 8.00 0.69 -4.12 116.55 113.60 3m4s n ASP 86 Ca 0.05 -0.68 -0.12 0.00 0.71 0.00 0.00 54.79 54.75 3m4s n ASP 86 Cb 0.33 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.00 -0.87 -0.30 1.24 3.57 -1.38 0.95 116.94 120.15 3m4s h PHE 87 Ca 0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3m4s h PHE 87 Cb 0.00 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 3m4s h PHE 87 CO 0.00 -0.41 -0.11 0.78 -2.23 0.00 0.00 178.31 176.34 3m4s h GLY 88 N -0.47 0.16 0.93 2.40 0.00 -1.84 0.85 103.07 105.10 3m4s h GLY 88 Ca 0.06 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 3m4s h GLY 88 CO -0.26 -0.14 -0.17 -2.08 0.00 0.00 0.00 176.54 173.90 3m4s h VAL 89 N -0.05 1.29 0.20 4.60 2.07 -1.66 -2.45 116.25 120.25 3m4s h VAL 89 Ca 0.15 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3m4s h VAL 89 Cb 0.28 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3m4s h VAL 89 CO -0.33 0.41 -0.12 0.15 0.02 0.00 0.00 177.57 177.70 3m4s h PHE 90 N 0.42 -0.30 -0.78 1.57 3.57 -0.66 -3.03 116.94 117.72 3m4s h PHE 90 Ca 0.07 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.74 3m4s h PHE 90 Cb 0.70 0.11 -0.13 0.00 2.79 0.00 0.00 35.95 39.41 3m4s h PHE 90 CO 0.06 -0.19 0.04 -0.97 -2.23 0.00 0.00 178.31 175.03 3m4s h ASN 91 N -0.31 -0.29 -0.27 0.41 -1.24 -0.38 0.15 115.58 113.64 3m4s h ASN 91 Ca -0.02 0.19 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 3m4s h ASN 91 Cb 0.25 0.33 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 3m4s h ASN 91 CO 0.03 -0.17 0.09 1.23 -1.29 0.00 0.00 177.43 177.32 3m4s h GLY 92 N 0.12 0.54 0.71 1.57 0.00 -1.37 0.05 103.07 104.69 3m4s h GLY 92 Ca 0.43 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 3m4s h GLY 92 CO -0.66 0.25 -0.08 -2.22 0.00 0.00 0.00 176.54 173.83 3m4s h ILE 93 N 0.49 1.33 -0.05 2.60 2.04 -0.71 -2.08 117.51 121.14 3m4s h ILE 93 Ca 0.12 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3m4s h ILE 93 Cb 0.18 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3m4s h ILE 93 CO -0.01 0.33 -0.13 0.22 0.00 0.00 0.00 178.15 178.57 3m4s h TYR 94 N -0.11 -0.34 -0.53 1.37 3.20 -0.61 -1.09 116.97 118.87 3m4s h TYR 94 Ca 0.02 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.97 3m4s h TYR 94 Cb 0.57 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 3m4s h TYR 94 CO 0.07 -0.20 0.23 0.00 -1.64 0.00 0.00 178.16 176.63 3m4s h ALA 95 N 0.80 0.67 -0.71 1.82 0.00 -1.02 -1.04 119.26 119.78 3m4s h ALA 95 Ca 0.06 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3m4s h ALA 95 Cb 0.28 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3m4s h ALA 95 CO -0.17 -0.14 0.36 0.93 0.00 0.00 0.00 179.25 180.23 3m4s h GLU 96 N 0.44 0.60 -0.41 0.00 5.08 -0.92 0.29 114.58 119.66 3m4s h GLU 96 Ca 0.25 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 3m4s h GLU 96 Cb 0.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3m4s h GLU 96 CO -0.21 0.40 -0.30 0.00 -1.00 0.00 0.00 179.01 177.90 3m4s h ALA 97 N 1.42 0.69 0.00 3.43 0.00 -0.02 -3.11 119.26 121.67 3m4s h ALA 97 Ca 0.34 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3m4s h ALA 97 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3m4s h ALA 97 CO -0.25 0.67 -0.33 0.74 0.00 0.00 0.00 179.25 180.07 3m4s h PHE 98 N 0.76 0.00 0.00 0.00 0.04 -1.03 -3.49 116.94 113.22 3m4s h PHE 98 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 3m4s h PHE 98 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 3m4s h PHE 98 CO 0.05 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 3m4s n GLY 99 N 1.17 2.68 0.49 -1.45 0.00 0.98 -1.66 105.19 107.41 3m4s n GLY 99 Ca 0.03 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 9.47 1.97 -4.73 1.61 0.23 -1.26 -4.78 115.26 117.77 3m4s n ASN 100 Ca 0.00 -1.49 -0.41 0.00 -0.53 0.00 0.00 54.58 52.15 3m4s n ASN 100 Cb 0.00 0.44 -0.04 0.00 -2.08 0.00 0.00 39.78 38.10 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 -2.25 3.71 -0.50 -2.53 5.65 -0.66 -5.02 115.29 113.68 3m4s s HIS 101 Ca 0.17 1.70 0.03 0.00 0.25 0.00 0.00 55.06 57.21 3m4s s HIS 101 Cb 0.17 -3.16 0.15 0.00 -1.18 0.00 0.00 32.58 28.55 3m4s s HIS 101 CO 0.50 -0.20 0.32 0.15 -0.65 0.00 0.00 174.74 174.86 3m4s s LYS 102 N -0.13 1.49 0.86 2.88 1.02 -1.26 -4.80 119.74 119.80 3m4s s LYS 102 Ca 0.48 -2.35 -0.12 0.00 0.02 0.00 0.00 55.97 54.00 3m4s s LYS 102 Cb -0.26 -2.41 0.11 0.00 -0.52 0.00 0.00 37.83 34.75 3m4s s LYS 102 CO 0.32 -1.24 1.18 -2.14 -0.92 0.00 0.00 175.35 172.55 3m4s s PRO 103 N -0.14 1.34 0.95 -1.68 0.02 -1.26 -4.99 135.00 129.24 3m4s s PRO 103 Ca 0.23 1.65 -0.10 0.00 0.02 0.00 0.00 61.00 62.79 3m4s s PRO 103 Cb -0.14 -1.75 0.17 0.00 0.02 0.00 0.00 34.50 32.80 3m4s s PRO 103 CO -0.08 -2.41 1.13 0.00 -0.33 0.00 0.00 177.00 175.31 3m4s s ALA 104 N -2.40 1.17 -0.12 -1.55 0.00 -0.15 -4.90 121.76 113.81 3m4s s ALA 104 Ca 0.70 0.51 -0.20 0.00 0.00 0.00 0.00 51.96 52.97 3m4s s ALA 104 Cb -0.26 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.48 3m4s s ALA 104 CO 0.54 -2.96 0.50 0.50 0.00 0.00 0.00 175.76 174.35 3m4s s ARG 105 N -4.61 0.72 0.04 0.00 3.52 -1.26 -1.95 118.95 115.41 3m4s s ARG 105 Ca 0.67 0.39 0.07 0.00 -0.13 0.00 0.00 55.73 56.73 3m4s s ARG 105 Cb -0.23 0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 3m4s s ARG 105 CO 0.59 -0.16 -0.20 0.00 -0.81 0.00 0.00 175.30 174.73 3m4s s ALA 106 N -0.45 1.67 0.01 6.12 0.00 -0.23 -4.95 121.76 123.94 3m4s s ALA 106 Ca -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3m4s s ALA 106 Cb -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3m4s s ALA 106 CO 0.04 0.37 -0.02 0.00 0.00 0.00 0.00 175.76 176.14 3m4s s PHE 108 N -0.45 -0.23 -0.24 0.00 -0.12 -0.90 -4.98 117.98 111.06 3m4s s PHE 108 Ca -0.04 0.09 -0.12 0.00 -0.05 0.00 0.00 56.93 56.82 3m4s s PHE 108 Cb -0.03 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 3m4s s PHE 108 CO -0.00 -0.46 0.23 0.00 -0.05 0.00 0.00 175.22 174.94 3m4s s ALA 109 N -2.87 3.59 0.61 1.99 0.00 -1.26 -0.41 121.76 123.40 3m4s s ALA 109 Ca 0.08 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 3m4s s ALA 109 Cb -0.01 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 3m4s s ALA 109 CO -0.06 -0.28 0.98 0.00 0.00 0.00 0.00 175.76 176.41 3m4s s ALA 110 N 1.24 3.14 0.15 0.00 0.00 0.50 -4.88 121.76 121.91 3m4s s ALA 110 Ca 0.10 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 3m4s s ALA 110 Cb -0.14 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.09 3m4s s ALA 110 CO 0.06 -0.73 1.69 0.00 0.00 0.00 0.00 175.76 176.78 3m4s h ALA 111 N -0.27 0.64 -2.57 0.00 0.00 -1.89 -3.42 119.26 111.74 3m4s h ALA 111 Ca -0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 3m4s h ALA 111 Cb 1.21 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 3m4s h ALA 111 CO 0.62 0.26 0.20 0.00 0.00 0.00 0.00 179.25 180.33 3m4s s ALA 112 N -5.50 -1.67 0.17 0.00 0.00 -1.26 -5.00 121.76 108.49 3m4s s ALA 112 Ca -0.13 0.85 0.10 0.00 0.00 0.00 0.00 51.96 52.77 3m4s s ALA 112 Cb 0.11 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3m4s s ALA 112 CO 0.77 -0.60 -0.21 -0.51 0.00 0.00 0.00 175.76 175.22 3m4s s LEU 113 N -2.08 2.42 0.08 0.00 1.43 -1.26 -5.06 118.68 114.21 3m4s s LEU 113 Ca -0.04 -0.84 -0.36 0.00 -1.03 0.00 0.00 54.13 51.85 3m4s s LEU 113 Cb -0.01 -0.98 -0.18 0.00 0.03 0.00 0.00 46.19 45.06 3m4s s LEU 113 CO -0.03 0.04 1.14 -2.65 0.23 0.00 0.00 176.35 175.08 3m4s n PRO 114 N 0.39 0.64 -1.68 1.29 -0.02 -1.26 -1.74 135.00 132.61 3m4s n PRO 114 Ca -0.14 0.23 -0.19 0.00 -2.02 0.00 0.00 63.50 61.38 3m4s n PRO 114 Cb 0.56 -1.74 -0.07 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.86 -1.38 -1.24 -0.52 5.02 -1.26 -1.90 118.16 118.73 3m4s n LYS 115 Ca 0.18 1.15 -0.08 0.00 -2.02 0.00 0.00 58.31 57.54 3m4s n LYS 115 Cb 0.17 -5.52 -0.04 0.00 -0.02 0.00 0.00 35.03 29.63 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 -0.64 1.02 3.64 0.72 0.00 -0.71 -4.99 105.19 104.22 3m4s n GLY 116 Ca -0.20 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 3m4s n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4s n ALA 117 N 1.16 0.54 0.60 4.61 0.00 -0.80 -4.92 120.51 121.70 3m4s n ALA 117 Ca -0.08 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3m4s n ALA 117 Cb 0.29 -2.15 0.12 0.00 0.00 0.00 0.00 19.45 17.71 3m4s n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m4s n LEU 118 N -0.05 0.65 -3.65 0.00 4.77 -1.26 -4.36 117.00 113.10 3m4s n LEU 118 Ca 0.10 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 3m4s n LEU 118 Cb 0.42 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 3m4s n LEU 118 CO 0.55 -0.00 0.37 0.54 -1.33 0.00 0.00 177.39 177.51 3m4s s VAL 119 N -3.16 0.00 -0.01 4.08 0.11 -1.26 -1.84 120.40 118.32 3m4s s VAL 119 Ca 0.06 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 3m4s s VAL 119 Cb 0.14 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 3m4s s VAL 119 CO 0.75 -0.00 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.79 3m4s s GLU 120 N 0.35 0.26 -0.05 1.54 2.12 -0.33 -4.29 118.70 118.30 3m4s s GLU 120 Ca -0.00 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.25 3m4s s GLU 120 Cb -0.05 -0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.09 3m4s s GLU 120 CO 0.01 0.03 -0.03 0.08 -0.54 0.00 0.00 175.26 174.81 3m4s s VAL 121 N 0.11 0.46 0.32 3.70 1.01 -0.98 -0.09 120.40 124.94 3m4s s VAL 121 Ca -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.04 3m4s s VAL 121 Cb -0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 3m4s s VAL 121 CO -0.00 0.23 -0.00 -1.83 0.00 0.00 0.00 175.10 173.50 3m4s s GLU 122 N 1.28 2.09 0.27 2.72 -1.05 -0.65 -0.52 118.70 122.84 3m4s s GLU 122 Ca -0.05 -1.70 -0.16 0.00 -0.15 0.00 0.00 54.97 52.91 3m4s s GLU 122 Cb -0.14 -1.96 0.01 0.00 -0.44 0.00 0.00 34.13 31.60 3m4s s GLU 122 CO -0.02 0.18 0.60 0.00 0.95 0.00 0.00 175.26 176.97 3m4s s ILE 124 N -3.90 2.05 0.10 0.00 1.01 -0.06 -0.59 121.20 119.81 3m4s s ILE 124 Ca 0.17 -1.33 -0.08 0.00 0.00 0.00 0.00 60.65 59.41 3m4s s ILE 124 Cb -0.03 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3m4s s ILE 124 CO 0.08 0.36 0.19 0.00 0.00 0.00 0.00 174.94 175.57 3m4s s ALA 125 N -0.78 -0.12 0.30 9.38 0.00 0.57 -0.77 121.76 130.33 3m4s s ALA 125 Ca 0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 3m4s s ALA 125 Cb -0.10 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 3m4s s ALA 125 CO 0.02 -0.53 0.52 -0.08 0.00 0.00 0.00 175.76 175.69 3m4s s THR 126 N -3.89 5.10 -2.00 0.00 -1.32 0.39 -0.17 115.64 113.75 3m4s s THR 126 Ca 0.08 -0.27 0.30 0.00 -1.21 0.00 0.00 61.69 60.59 3m4s s THR 126 Cb 0.05 -3.79 0.86 0.00 -1.51 0.00 0.00 72.50 68.11 3m4s s THR 126 CO -0.09 -0.41 2.14 0.18 -2.21 0.00 0.00 174.62 174.24