#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m85 n ARG 2 N 0.00 0.90 -1.73 0.03 5.12 -1.26 -4.96 116.66 114.76 3m85 n ARG 2 Ca 0.00 -0.52 -0.38 0.00 -1.93 0.00 0.00 57.85 55.02 3m85 n ARG 2 Cb 0.00 -1.49 0.05 0.00 -1.16 0.00 0.00 32.46 29.86 3m85 n ARG 2 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3m85 n PHE 3 N -0.60 2.16 -3.90 -1.55 7.35 -1.26 -0.76 117.46 118.90 3m85 n PHE 3 Ca 0.13 0.43 -0.10 0.00 -0.76 0.00 0.00 57.45 57.15 3m85 n PHE 3 Cb 0.34 -2.34 -0.09 0.00 0.35 0.00 0.00 39.48 37.74 3m85 n PHE 3 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3m85 s VAL 4 N -1.31 0.11 0.23 -2.13 -7.23 -0.72 -4.82 120.40 104.53 3m85 s VAL 4 Ca 0.74 -0.93 0.08 0.00 -1.81 0.00 0.00 61.98 60.06 3m85 s VAL 4 Cb -0.41 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 3m85 s VAL 4 CO 0.48 -0.52 0.02 -0.04 -0.31 0.00 0.00 175.10 174.73 3m85 s MET 5 N -2.17 2.41 0.40 4.82 -1.94 -1.26 -2.36 119.30 119.20 3m85 s MET 5 Ca -0.09 -1.26 -0.27 0.00 -1.71 0.00 0.00 55.69 52.37 3m85 s MET 5 Cb -0.04 -2.28 -0.10 0.00 2.01 0.00 0.00 34.83 34.42 3m85 s MET 5 CO -0.02 0.40 1.45 -2.30 -0.01 0.00 0.00 175.02 174.54 3m85 n PRO 6 N -0.65 2.47 0.00 2.03 -0.02 -1.26 -1.48 135.00 136.09 3m85 n PRO 6 Ca -0.08 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3m85 n PRO 6 Cb 0.57 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3m85 n PRO 6 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m85 n GLY 7 N 0.53 2.99 3.61 -1.23 0.00 -0.63 -4.98 105.19 105.47 3m85 n GLY 7 Ca 0.03 -0.50 -0.49 0.00 0.00 0.00 0.00 46.02 45.06 3m85 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m85 n ASP 8 N 0.66 1.85 -4.67 1.61 10.43 -0.55 -4.65 116.55 121.23 3m85 n ASP 8 Ca 0.00 1.13 -0.43 0.00 2.57 0.00 0.00 54.79 58.06 3m85 n ASP 8 Cb 0.00 -1.27 -0.02 0.00 1.84 0.00 0.00 41.12 41.67 3m85 n ASP 8 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3m85 s ARG 9 N -0.02 4.30 0.43 -1.24 0.52 -1.26 -1.91 118.95 119.76 3m85 s ARG 9 Ca 0.76 1.65 0.08 0.00 -0.52 0.00 0.00 55.73 57.69 3m85 s ARG 9 Cb -0.82 -3.65 0.00 0.00 0.52 0.00 0.00 34.95 31.00 3m85 s ARG 9 CO 0.49 -0.57 0.51 0.42 0.02 0.00 0.00 175.30 176.17 3m85 s ILE 10 N 2.83 2.77 0.00 1.52 1.01 -0.15 -4.98 121.20 124.21 3m85 s ILE 10 Ca 0.55 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3m85 s ILE 10 Cb -0.23 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3m85 s ILE 10 CO 0.18 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3m85 n GLY 11 N -1.76 -0.59 3.93 6.18 0.00 -1.26 -3.98 105.19 107.70 3m85 n GLY 11 Ca 0.07 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 3m85 n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m85 s SER 12 N -2.82 4.96 0.44 1.61 1.04 -1.26 -2.74 113.70 114.91 3m85 s SER 12 Ca 0.00 0.47 0.30 0.00 0.48 0.00 0.00 55.95 57.20 3m85 s SER 12 Cb 0.00 -1.19 1.23 0.00 0.10 0.00 0.00 66.02 66.17 3m85 s SER 12 CO 0.00 -1.49 1.88 0.00 0.98 0.00 0.00 173.24 174.61 3m85 h ALA 13 N -0.50 1.00 0.11 5.32 0.00 -0.85 -3.03 119.26 121.32 3m85 h ALA 13 Ca -0.44 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 3m85 h ALA 13 Cb 1.31 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.12 3m85 h ALA 13 CO 0.60 0.00 -1.21 0.93 0.00 0.00 0.00 179.25 179.57 3m85 h GLU 14 N 0.00 0.52 0.34 0.00 4.39 -1.93 -3.37 114.58 114.52 3m85 h GLU 14 Ca 0.00 -0.71 -0.02 0.00 0.34 0.00 0.00 59.36 58.98 3m85 h GLU 14 Cb 0.44 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3m85 h GLU 14 CO 0.00 1.31 -0.16 0.93 -1.16 0.00 0.00 179.01 179.93 3m85 h GLU 15 N 0.22 -0.44 -6.11 2.33 5.08 -1.92 -3.47 114.58 110.28 3m85 h GLU 15 Ca -0.17 0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 57.63 3m85 h GLU 15 Cb 1.89 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 31.12 3m85 h GLU 15 CO 0.22 -0.12 -0.67 0.71 -1.00 0.00 0.00 179.01 178.15 3m85 s TYR 16 N -3.92 2.49 -0.07 4.33 1.51 -1.19 -4.91 117.35 115.58 3m85 s TYR 16 Ca -0.12 -0.36 -0.16 0.00 -1.01 0.00 0.00 57.07 55.42 3m85 s TYR 16 Cb 0.01 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 3m85 s TYR 16 CO 0.43 0.59 0.41 0.08 -1.11 0.00 0.00 175.55 175.95 3m85 s VAL 17 N -2.48 5.14 -0.05 0.71 1.01 0.69 -4.68 120.40 120.74 3m85 s VAL 17 Ca 0.32 0.82 -0.35 0.00 0.00 0.00 0.00 61.98 62.78 3m85 s VAL 17 Cb -0.03 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 3m85 s VAL 17 CO 0.18 0.45 1.81 1.17 0.00 0.00 0.00 175.10 178.71 3m85 n LYS 18 N 2.82 2.09 -4.22 2.72 4.81 -1.26 -2.05 118.16 123.08 3m85 n LYS 18 Ca -0.11 0.77 -0.26 0.00 -0.87 0.00 0.00 58.31 57.84 3m85 n LYS 18 Cb 0.52 -2.58 -0.06 0.00 0.02 0.00 0.00 35.03 32.93 3m85 n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m85 n GLY 19 N 4.17 3.54 3.56 3.14 0.00 -0.42 -4.85 105.19 114.33 3m85 n GLY 19 Ca 0.22 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 3m85 n GLY 19 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3m85 n GLU 20 N -0.98 1.55 0.00 1.61 4.07 -1.26 -2.02 120.64 123.61 3m85 n GLU 20 Ca -0.13 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 3m85 n GLU 20 Cb 0.54 -3.10 0.00 0.00 -0.06 0.00 0.00 31.44 28.82 3m85 n GLU 20 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3m85 n GLY 21 N 5.99 1.60 3.07 8.31 0.00 -1.26 -0.68 105.19 122.22 3m85 n GLY 21 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 3m85 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m85 s VAL 22 N -2.00 -0.13 0.34 1.61 1.01 -0.86 -1.09 120.40 119.29 3m85 s VAL 22 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.24 3m85 s VAL 22 Cb 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 3m85 s VAL 22 CO 0.00 0.07 0.07 -0.72 0.00 0.00 0.00 175.10 174.52 3m85 s TYR 23 N 1.56 2.61 0.11 5.22 -0.85 -0.68 -4.32 117.35 120.99 3m85 s TYR 23 Ca -0.07 -0.42 0.05 0.00 -0.52 0.00 0.00 57.07 56.11 3m85 s TYR 23 Cb -0.11 -1.57 -0.04 0.00 0.38 0.00 0.00 41.96 40.63 3m85 s TYR 23 CO -0.09 0.41 0.03 -2.00 -1.52 0.00 0.00 175.55 172.38 3m85 s GLU 24 N -3.77 2.63 -0.29 -3.49 -6.30 -1.26 -0.50 118.70 105.71 3m85 s GLU 24 Ca 0.36 -0.85 -0.15 0.00 -2.50 0.00 0.00 54.97 51.83 3m85 s GLU 24 Cb -0.01 -2.56 0.14 0.00 0.00 0.00 0.00 34.13 31.70 3m85 s GLU 24 CO 0.21 0.53 0.93 -2.00 0.02 0.00 0.00 175.26 174.95 3m85 s GLU 25 N -2.50 0.40 -1.54 4.30 2.12 -0.31 -4.94 118.70 116.24 3m85 s GLU 25 Ca 0.27 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.38 3m85 s GLU 25 Cb -0.11 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.50 3m85 s GLU 25 CO 0.20 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 3m85 n GLY 26 N 4.20 0.18 1.75 -1.50 0.00 -1.26 -2.39 105.19 106.17 3m85 n GLY 26 Ca -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3m85 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m85 n GLY 27 N -0.98 1.67 3.83 -0.02 0.00 -1.26 -5.03 105.19 103.39 3m85 n GLY 27 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 3m85 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m85 s GLU 28 N -0.42 2.79 -0.10 1.61 0.41 -1.00 -0.19 118.70 121.81 3m85 s GLU 28 Ca 0.00 -1.20 -0.00 0.00 -0.41 0.00 0.00 54.97 53.36 3m85 s GLU 28 Cb 0.00 -2.50 -0.03 0.00 -1.78 0.00 0.00 34.13 29.82 3m85 s GLU 28 CO 0.00 0.24 -0.08 -0.51 -0.49 0.00 0.00 175.26 174.42 3m85 s LEU 29 N -3.91 3.05 0.11 1.80 1.43 -1.11 -1.16 118.68 118.89 3m85 s LEU 29 Ca 0.37 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3m85 s LEU 29 Cb -0.07 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3m85 s LEU 29 CO 0.26 0.27 -0.15 -0.36 0.23 0.00 0.00 176.35 176.60 3m85 s PHE 30 N -0.27 1.40 0.16 0.29 0.40 0.34 -0.98 117.98 119.33 3m85 s PHE 30 Ca 0.03 -0.53 -0.31 0.00 -0.60 0.00 0.00 56.93 55.52 3m85 s PHE 30 Cb -0.13 -0.74 -0.09 0.00 0.51 0.00 0.00 43.02 42.57 3m85 s PHE 30 CO 0.03 0.14 1.43 0.00 0.70 0.00 0.00 175.22 177.51 3m85 s ALA 31 N -1.93 3.64 -0.23 5.36 0.00 -0.80 -1.69 121.76 126.09 3m85 s ALA 31 Ca 0.07 1.21 0.22 0.00 0.00 0.00 0.00 51.96 53.46 3m85 s ALA 31 Cb -0.06 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 3m85 s ALA 31 CO 0.03 -0.66 1.04 0.00 0.00 0.00 0.00 175.76 176.17 3m85 n ALA 32 N 3.57 2.53 -2.18 0.00 0.00 -0.25 -1.60 120.51 122.58 3m85 n ALA 32 Ca 0.11 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 3m85 n ALA 32 Cb 0.41 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 3m85 n ALA 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3m85 s VAL 33 N -3.37 0.41 0.19 0.00 -7.23 -1.24 -4.70 120.40 104.46 3m85 s VAL 33 Ca -0.01 -1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.02 3m85 s VAL 33 Cb 0.10 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 35.00 3m85 s VAL 33 CO 0.79 -0.59 0.72 0.00 -0.31 0.00 0.00 175.10 175.71 3m85 s ALA 34 N -3.83 3.45 0.00 1.32 0.00 -1.26 -4.01 121.76 117.43 3m85 s ALA 34 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3m85 s ALA 34 Cb 0.07 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.35 3m85 s ALA 34 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3m85 n GLY 35 N 1.12 0.33 3.67 0.00 0.00 -0.99 -0.55 105.19 108.76 3m85 n GLY 35 Ca -0.04 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3m85 n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m85 s LYS 36 N -2.00 4.22 -0.04 1.61 2.20 -1.07 -1.76 119.74 122.91 3m85 s LYS 36 Ca 0.00 2.00 -0.30 0.00 -0.36 0.00 0.00 55.97 57.32 3m85 s LYS 36 Cb 0.00 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 3m85 s LYS 36 CO 0.00 -0.74 1.01 -1.17 -0.36 0.00 0.00 175.35 174.08 3m85 s LEU 37 N 3.47 4.32 -0.13 5.43 1.98 0.06 0.25 118.68 134.06 3m85 s LEU 37 Ca 0.66 1.63 -0.04 0.00 -2.89 0.00 0.00 54.13 53.50 3m85 s LEU 37 Cb -0.30 -3.56 0.06 0.00 0.66 0.00 0.00 46.19 43.04 3m85 s LEU 37 CO 0.25 -0.35 0.11 -0.63 -1.89 0.00 0.00 176.35 173.84 3m85 s ILE 38 N 1.43 -0.15 -0.28 6.68 1.01 -0.67 -4.89 121.20 124.34 3m85 s ILE 38 Ca 0.51 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.14 3m85 s ILE 38 Cb -0.20 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 3m85 s ILE 38 CO 0.24 -0.10 0.08 -0.63 0.00 0.00 0.00 174.94 174.53 3m85 s ILE 39 N 2.19 4.17 -0.11 2.92 1.01 -1.26 -2.02 121.20 128.10 3m85 s ILE 39 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 3m85 s ILE 39 Cb -0.14 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.30 3m85 s ILE 39 CO -0.08 0.19 -0.00 -0.75 0.00 0.00 0.00 174.94 174.30 3m85 s LYS 40 N 1.56 0.79 -0.94 2.79 2.47 0.49 -4.81 119.74 122.09 3m85 s LYS 40 Ca 0.05 -0.12 -0.01 0.00 -1.56 0.00 0.00 55.97 54.33 3m85 s LYS 40 Cb -0.16 -1.42 0.00 0.00 -1.46 0.00 0.00 37.83 34.79 3m85 s LYS 40 CO 0.03 -0.39 0.79 -0.25 0.16 0.00 0.00 175.35 175.69 3m85 n ASP 41 N 5.08 -2.54 0.00 1.43 10.43 -1.26 -2.43 116.55 127.26 3m85 n ASP 41 Ca -0.09 -0.47 0.00 0.00 2.57 0.00 0.00 54.79 56.81 3m85 n ASP 41 Cb 0.49 -4.03 0.00 0.00 1.84 0.00 0.00 41.12 39.42 3m85 n ASP 41 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3m85 n ARG 42 N -3.48 0.00 -3.76 -1.24 1.74 -1.26 -4.94 116.66 103.71 3m85 n ARG 42 Ca -0.19 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.54 3m85 n ARG 42 Cb 0.62 -3.81 -0.08 0.00 -1.02 0.00 0.00 32.46 28.17 3m85 n ARG 42 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3m85 s VAL 43 N -2.01 5.43 -0.20 1.55 1.01 -1.02 -0.22 120.40 124.94 3m85 s VAL 43 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3m85 s VAL 43 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.95 3m85 s VAL 43 CO 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.41 3m85 s ALA 44 N 0.06 2.43 0.24 5.51 0.00 -0.87 -0.38 121.76 128.75 3m85 s ALA 44 Ca 0.10 -1.32 0.11 0.00 0.00 0.00 0.00 51.96 50.85 3m85 s ALA 44 Cb -0.11 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 3m85 s ALA 44 CO -0.01 -0.52 -0.20 -1.59 0.00 0.00 0.00 175.76 173.45 3m85 s LYS 45 N 1.28 1.54 -0.12 0.00 -2.85 -0.86 -1.31 119.74 117.43 3m85 s LYS 45 Ca 0.03 -1.65 -0.01 0.00 -1.00 0.00 0.00 55.97 53.34 3m85 s LYS 45 Cb -0.14 -1.62 -0.02 0.00 -2.06 0.00 0.00 37.83 33.98 3m85 s LYS 45 CO -0.10 0.31 -0.09 0.08 0.10 0.00 0.00 175.35 175.65 3m85 s VAL 46 N -2.37 3.45 -0.88 1.79 1.01 0.14 -1.66 120.40 121.87 3m85 s VAL 46 Ca 0.25 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 3m85 s VAL 46 Cb -0.05 -2.45 0.11 0.00 0.00 0.00 0.00 36.38 33.99 3m85 s VAL 46 CO 0.12 0.54 1.12 -1.61 0.00 0.00 0.00 175.10 175.26 3m85 s GLU 47 N -0.02 3.49 0.10 2.72 0.41 0.14 -4.45 118.70 121.09 3m85 s GLU 47 Ca -0.01 -1.52 -0.36 0.00 -0.41 0.00 0.00 54.97 52.66 3m85 s GLU 47 Cb -0.14 -4.81 -0.16 0.00 -1.78 0.00 0.00 34.13 27.24 3m85 s GLU 47 CO 0.03 -1.81 1.35 0.45 -0.49 0.00 0.00 175.26 174.79 3m85 n SER 48 N 6.97 1.75 -0.35 -0.19 2.88 -1.26 -2.58 113.62 120.83 3m85 n SER 48 Ca 0.19 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.93 3m85 n SER 48 Cb 0.48 -1.21 0.25 0.00 -0.75 0.00 0.00 64.21 62.98 3m85 n SER 48 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3m85 h ILE 49 N 3.32 0.86 -2.81 2.46 3.07 -1.21 -3.30 117.51 119.91 3m85 h ILE 49 Ca -0.47 -0.31 -0.61 0.00 1.55 0.00 0.00 64.86 65.02 3m85 h ILE 49 Cb 1.33 -0.13 -0.40 0.00 -0.27 0.00 0.00 36.82 37.35 3m85 h ILE 49 CO 0.78 0.17 -0.76 -0.55 -1.05 0.00 0.00 178.15 176.74 3m85 s SER 50 N -5.61 3.30 0.77 2.16 0.15 -1.26 -5.11 113.70 108.10 3m85 s SER 50 Ca -0.12 -3.18 -0.13 0.00 0.70 0.00 0.00 55.95 53.22 3m85 s SER 50 Cb 0.23 -1.03 0.06 0.00 -1.71 0.00 0.00 66.02 63.57 3m85 s SER 50 CO 0.80 -0.17 1.17 -2.84 1.20 0.00 0.00 173.24 173.40 3m85 s PRO 51 N -0.35 1.94 -0.32 5.44 0.02 -1.25 -5.03 135.00 135.46 3m85 s PRO 51 Ca 0.25 1.62 -0.09 0.00 0.02 0.00 0.00 61.00 62.80 3m85 s PRO 51 Cb -0.08 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3m85 s PRO 51 CO -0.12 -1.96 0.14 0.42 -0.33 0.00 0.00 177.00 175.16 3m85 s ILE 52 N -2.27 4.43 0.53 2.83 1.01 -1.26 -5.00 121.20 121.48 3m85 s ILE 52 Ca 0.71 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 3m85 s ILE 52 Cb -0.26 -3.30 -0.07 0.00 0.01 0.00 0.00 42.46 38.84 3m85 s ILE 52 CO 0.49 0.02 1.06 -2.65 0.00 0.00 0.00 174.94 173.86 3m85 n PRO 53 N 4.95 1.23 -3.67 2.79 -0.02 -1.26 -4.82 135.00 134.20 3m85 n PRO 53 Ca -0.14 0.46 -0.17 0.00 -2.02 0.00 0.00 63.50 61.63 3m85 n PRO 53 Cb 0.48 -2.22 -0.16 0.00 -0.02 0.00 0.00 33.50 31.58 3m85 n PRO 53 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3m85 s GLU 54 N -2.54 0.02 0.38 -0.52 2.12 -1.26 -2.79 118.70 114.11 3m85 s GLU 54 Ca 0.70 0.52 -0.26 0.00 0.36 0.00 0.00 54.97 56.30 3m85 s GLU 54 Cb -0.46 -0.30 -0.09 0.00 0.26 0.00 0.00 34.13 33.55 3m85 s GLU 54 CO 0.51 -0.30 1.14 0.42 -0.54 0.00 0.00 175.26 176.49 3m85 s ILE 55 N 2.19 3.31 0.19 -3.70 -1.09 -1.26 -5.04 121.20 115.80 3m85 s ILE 55 Ca 0.02 1.11 -0.20 0.00 -2.23 0.00 0.00 60.65 59.35 3m85 s ILE 55 Cb -0.12 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.18 3m85 s ILE 55 CO -0.05 0.11 0.59 -0.69 -1.23 0.00 0.00 174.94 173.66 3m85 s VAL 56 N -1.43 0.01 -0.22 2.92 1.01 -1.26 -5.03 120.40 116.40 3m85 s VAL 56 Ca 0.55 -0.48 -0.38 0.00 0.00 0.00 0.00 61.98 61.68 3m85 s VAL 56 Cb -0.29 -1.38 -0.14 0.00 0.00 0.00 0.00 36.38 34.56 3m85 s VAL 56 CO 0.37 -0.06 1.83 0.29 0.00 0.00 0.00 175.10 177.53 3m85 n LYS 57 N -0.37 1.50 0.00 2.72 5.02 -1.26 -1.33 118.16 124.43 3m85 n LYS 57 Ca -0.12 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3m85 n LYS 57 Cb 0.63 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 3m85 n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m85 n GLY 58 N 4.49 2.29 3.89 0.72 0.00 -1.14 -5.00 105.19 110.44 3m85 n GLY 58 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 3m85 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m85 s ASP 59 N -1.90 6.11 -0.17 1.61 1.01 -0.44 -4.77 116.67 118.11 3m85 s ASP 59 Ca 0.00 1.18 -0.04 0.00 0.71 0.00 0.00 52.55 54.40 3m85 s ASP 59 Cb 0.00 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.62 3m85 s ASP 59 CO 0.00 -0.84 -0.02 -0.69 0.21 0.00 0.00 175.17 173.83 3m85 s VAL 60 N -3.05 3.97 0.46 -1.27 1.01 -1.26 -0.05 120.40 120.21 3m85 s VAL 60 Ca 0.53 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3m85 s VAL 60 Cb -0.11 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3m85 s VAL 60 CO 0.50 0.47 0.08 1.33 0.00 0.00 0.00 175.10 177.48 3m85 n VAL 61 N 3.77 0.00 -3.38 2.92 0.24 -0.94 -1.10 118.33 119.85 3m85 n VAL 61 Ca -0.17 -2.10 -0.17 0.00 -2.04 0.00 0.00 64.34 59.85 3m85 n VAL 61 Cb 0.52 0.32 -0.08 0.00 -1.47 0.00 0.00 33.84 33.13 3m85 n VAL 61 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3m85 s LEU 62 N 0.00 -0.12 0.45 1.34 2.96 -1.22 -3.35 118.68 118.75 3m85 s LEU 62 Ca 0.06 -1.24 0.06 0.00 -0.22 0.00 0.00 54.13 52.79 3m85 s LEU 62 Cb -0.00 0.53 -0.02 0.00 0.50 0.00 0.00 46.19 47.19 3m85 s LEU 62 CO 0.04 -0.31 0.25 -0.83 -1.32 0.00 0.00 176.35 174.17 3m85 s GLY 63 N 1.82 2.37 -0.04 7.98 0.00 -0.84 -2.50 107.32 116.11 3m85 s GLY 63 Ca 0.14 -1.75 0.06 0.00 0.00 0.00 0.00 44.72 43.17 3m85 s GLY 63 CO -0.16 -1.91 -0.23 -1.60 0.00 0.00 0.00 173.10 169.21 3m85 s ARG 64 N -4.02 2.34 -0.16 2.90 3.52 -0.88 -2.11 118.95 120.53 3m85 s ARG 64 Ca 0.38 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 3m85 s ARG 64 Cb 0.01 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 31.22 3m85 s ARG 64 CO 0.22 0.52 1.36 0.54 -0.81 0.00 0.00 175.30 177.13 3m85 s VAL 65 N -0.50 4.10 -0.39 7.11 0.11 -1.21 -0.41 120.40 129.21 3m85 s VAL 65 Ca 0.07 1.32 0.11 0.00 -2.93 0.00 0.00 61.98 60.55 3m85 s VAL 65 Cb -0.11 -3.90 -0.14 0.00 -1.53 0.00 0.00 36.38 30.70 3m85 s VAL 65 CO 0.01 -0.17 0.42 1.33 -3.33 0.00 0.00 175.10 173.35 3m85 n VAL 66 N 5.55 0.00 -3.49 2.04 0.24 0.90 -2.15 118.33 121.42 3m85 n VAL 66 Ca 0.15 -0.24 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 3m85 n VAL 66 Cb 0.45 0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 33.56 3m85 n VAL 66 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3m85 s ASP 67 N -2.40 -0.63 -0.02 -1.34 3.68 -1.19 -4.98 116.67 109.79 3m85 s ASP 67 Ca 0.02 0.49 0.02 0.00 2.13 0.00 0.00 52.55 55.21 3m85 s ASP 67 Cb 0.08 0.56 0.01 0.00 -1.45 0.00 0.00 42.92 42.12 3m85 s ASP 67 CO 0.47 -0.72 -0.07 -0.76 0.13 0.00 0.00 175.17 174.22 3m85 s LEU 68 N -1.67 1.71 -0.05 -1.34 1.43 -1.26 -0.66 118.68 116.83 3m85 s LEU 68 Ca -0.07 -0.14 0.19 0.00 -1.03 0.00 0.00 54.13 53.07 3m85 s LEU 68 Cb -0.00 -0.44 0.36 0.00 0.03 0.00 0.00 46.19 46.13 3m85 s LEU 68 CO 0.03 0.03 1.16 0.54 0.23 0.00 0.00 176.35 178.34 3m85 n ARG 69 N 3.41 0.40 0.00 1.70 1.74 -0.92 -5.01 116.66 117.98 3m85 n ARG 69 Ca -0.19 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 3m85 n ARG 69 Cb 0.54 -0.49 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 3m85 n ARG 69 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3m85 n ASN 70 N -0.01 0.00 0.00 0.55 5.03 -1.26 -4.22 115.26 115.35 3m85 n ASN 70 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 3m85 n ASN 70 Cb 0.96 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.72 3m85 n ASN 70 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3m85 n SER 71 N 1.92 0.00 -4.67 6.41 2.88 -1.26 -4.64 113.62 114.26 3m85 n SER 71 Ca 0.00 0.68 -0.29 0.00 -1.33 0.00 0.00 58.87 57.93 3m85 n SER 71 Cb 0.00 -0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.04 3m85 n SER 71 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3m85 s ILE 72 N -1.83 3.88 -0.05 2.46 -0.00 -1.26 -1.78 121.20 122.63 3m85 s ILE 72 Ca 0.00 -1.13 0.05 0.00 -0.00 0.00 0.00 60.65 59.57 3m85 s ILE 72 Cb 0.00 -2.88 -0.02 0.00 -0.00 0.00 0.00 42.46 39.56 3m85 s ILE 72 CO 0.00 0.05 -0.20 0.00 -0.00 0.00 0.00 174.94 174.80 3m85 s ALA 73 N -1.41 2.41 -0.16 2.27 0.00 -0.60 -2.17 121.76 122.09 3m85 s ALA 73 Ca 0.26 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 3m85 s ALA 73 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3m85 s ALA 73 CO 0.18 0.50 0.50 -0.51 0.00 0.00 0.00 175.76 176.43 3m85 s LEU 74 N -0.50 4.20 -0.12 0.00 1.43 0.16 -0.84 118.68 123.02 3m85 s LEU 74 Ca 0.06 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 3m85 s LEU 74 Cb -0.11 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.42 3m85 s LEU 74 CO 0.01 -0.10 -0.15 -0.63 0.23 0.00 0.00 176.35 175.71 3m85 s ILE 75 N 1.21 1.51 -0.57 -0.59 1.09 0.47 -0.07 121.20 124.25 3m85 s ILE 75 Ca 0.25 -0.63 -0.25 0.00 -1.10 0.00 0.00 60.65 58.91 3m85 s ILE 75 Cb -0.15 -1.39 0.04 0.00 -1.06 0.00 0.00 42.46 39.90 3m85 s ILE 75 CO 0.10 0.44 1.02 -1.83 -0.10 0.00 0.00 174.94 174.57 3m85 s GLU 76 N 1.11 3.36 -0.01 2.79 -1.05 0.46 -0.09 118.70 125.27 3m85 s GLU 76 Ca -0.04 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.31 3m85 s GLU 76 Cb -0.14 -4.06 -0.05 0.00 -0.44 0.00 0.00 34.13 29.44 3m85 s GLU 76 CO -0.04 -1.58 1.37 0.08 0.95 0.00 0.00 175.26 176.04 3m85 s VAL 77 N 4.29 3.80 -0.12 1.83 1.01 0.35 -2.07 120.40 129.49 3m85 s VAL 77 Ca 0.33 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.51 3m85 s VAL 77 Cb -0.11 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3m85 s VAL 77 CO 0.20 -0.00 0.13 -1.54 0.00 0.00 0.00 175.10 173.88 3m85 n SER 78 N 5.37 0.17 -3.63 3.32 3.41 -1.04 -2.39 113.62 118.84 3m85 n SER 78 Ca 0.13 -0.59 -0.15 0.00 -0.26 0.00 0.00 58.87 58.01 3m85 n SER 78 Cb 0.44 0.95 -0.07 0.00 -0.26 0.00 0.00 64.21 65.27 3m85 n SER 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3m85 s SER 79 N -1.17 -0.41 -0.09 4.04 0.01 -1.25 -4.64 113.70 110.19 3m85 s SER 79 Ca 0.01 0.28 -0.00 0.00 1.31 0.00 0.00 55.95 57.55 3m85 s SER 79 Cb 0.02 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 3m85 s SER 79 CO 0.10 -0.60 -0.06 -0.75 0.41 0.00 0.00 173.24 172.34 3m85 s LYS 80 N -1.77 2.96 0.35 12.44 2.20 -1.26 -3.38 119.74 131.28 3m85 s LYS 80 Ca -0.09 -0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 54.72 3m85 s LYS 80 Cb -0.02 -2.67 -0.09 0.00 -1.51 0.00 0.00 37.83 33.54 3m85 s LYS 80 CO 0.03 0.58 1.17 0.21 -0.36 0.00 0.00 175.35 176.98 3m85 s LYS 81 N -0.58 4.28 0.00 4.03 2.20 -0.26 -2.93 119.74 126.48 3m85 s LYS 81 Ca 0.09 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 3m85 s LYS 81 Cb -0.12 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 3m85 s LYS 81 CO 0.02 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 3m85 n GLY 82 N 0.80 2.62 3.35 5.54 0.00 -1.26 -4.95 105.19 111.28 3m85 n GLY 82 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3m85 n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m85 s GLU 83 N 0.00 2.93 0.41 1.61 2.02 -1.15 -4.97 118.70 119.54 3m85 s GLU 83 Ca 0.00 -0.99 0.09 0.00 0.02 0.00 0.00 54.97 54.09 3m85 s GLU 83 Cb 0.00 -3.52 0.86 0.00 0.10 0.00 0.00 34.13 31.56 3m85 s GLU 83 CO 0.00 -0.57 2.00 -0.91 0.02 0.00 0.00 175.26 175.80 3m85 h ASN 84 N 8.30 0.32 -3.98 -0.19 -0.26 -1.93 -3.41 115.58 114.43 3m85 h ASN 84 Ca -0.28 -0.03 -0.49 0.00 -0.56 0.00 0.00 56.30 54.94 3m85 h ASN 84 Cb 1.11 -0.08 0.03 0.00 -1.06 0.00 0.00 38.32 38.32 3m85 h ASN 84 CO 0.62 0.34 0.43 -0.60 -1.06 0.00 0.00 177.43 177.16 3m85 s ARG 85 N -5.08 4.04 0.01 0.81 3.52 -1.26 -4.98 118.95 116.00 3m85 s ARG 85 Ca -0.07 1.59 -0.30 0.00 -0.13 0.00 0.00 55.73 56.82 3m85 s ARG 85 Cb 0.16 -2.49 -0.06 0.00 -1.56 0.00 0.00 34.95 31.00 3m85 s ARG 85 CO 0.73 -0.27 1.53 0.20 -0.81 0.00 0.00 175.30 176.68 3m85 s GLY 86 N -1.51 1.68 0.94 8.12 0.00 -1.26 -4.69 107.32 110.61 3m85 s GLY 86 Ca 0.60 0.99 -0.11 0.00 0.00 0.00 0.00 44.72 46.19 3m85 s GLY 86 CO 0.30 2.75 1.09 -4.14 0.00 0.00 0.00 173.10 173.10 3m85 s PRO 87 N 2.86 0.85 -0.12 2.90 0.02 -1.26 -4.58 135.00 135.68 3m85 s PRO 87 Ca 0.69 1.01 -0.08 0.00 0.02 0.00 0.00 61.00 62.64 3m85 s PRO 87 Cb -0.34 -1.75 -0.26 0.00 0.02 0.00 0.00 34.50 32.17 3m85 s PRO 87 CO 0.29 -2.57 0.38 -1.13 -0.33 0.00 0.00 177.00 173.63 3m85 n SER 88 N -4.14 2.12 -1.08 2.53 3.41 -1.12 -4.08 113.62 111.26 3m85 n SER 88 Ca 0.07 0.23 -0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3m85 n SER 88 Cb 0.54 -0.88 0.12 0.00 -0.26 0.00 0.00 64.21 63.72 3m85 n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3m85 n ASN 89 N -3.54 2.77 -4.69 4.04 6.94 -1.26 -4.94 115.26 114.58 3m85 n ASN 89 Ca -0.32 -2.37 -0.39 0.00 -0.02 0.00 0.00 54.58 51.49 3m85 n ASN 89 Cb 1.03 -0.58 0.04 0.00 -2.36 0.00 0.00 39.78 37.92 3m85 n ASN 89 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3m85 n ARG 90 N 0.14 1.40 -0.02 -3.83 0.63 -1.26 -4.91 116.66 108.82 3m85 n ARG 90 Ca 0.12 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 3m85 n ARG 90 Cb 0.65 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.18 3m85 n ARG 90 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3m85 n GLY 91 N 0.97 -0.26 3.82 5.14 0.00 -1.01 -5.02 105.19 108.82 3m85 n GLY 91 Ca 0.11 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 3m85 n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m85 s ILE 92 N -3.99 4.55 -0.01 -0.61 1.09 -1.26 0.13 121.20 121.09 3m85 s ILE 92 Ca 0.00 1.30 -0.08 0.00 -1.10 0.00 0.00 60.65 60.77 3m85 s ILE 92 Cb 0.00 -3.84 0.01 0.00 -1.06 0.00 0.00 42.46 37.56 3m85 s ILE 92 CO 0.00 0.15 0.16 -0.83 -0.10 0.00 0.00 174.94 174.33 3m85 s GLY 93 N -1.72 -0.00 0.07 6.18 0.00 0.88 -4.78 107.32 107.94 3m85 s GLY 93 Ca 0.45 0.00 0.04 0.00 0.00 0.00 0.00 44.72 45.21 3m85 s GLY 93 CO 0.21 -0.14 0.02 -0.26 0.00 0.00 0.00 173.10 172.93 3m85 s ILE 94 N -1.20 4.18 -0.20 0.90 -0.00 -1.26 -0.39 121.20 123.23 3m85 s ILE 94 Ca -0.13 -0.87 0.01 0.00 -0.00 0.00 0.00 60.65 59.66 3m85 s ILE 94 Cb -0.07 -2.97 0.04 0.00 -0.00 0.00 0.00 42.46 39.46 3m85 s ILE 94 CO 0.02 0.16 -0.09 -0.22 -0.00 0.00 0.00 174.94 174.81 3m85 s LEU 95 N -2.20 2.20 0.68 0.37 2.96 -0.02 -3.02 118.68 119.65 3m85 s LEU 95 Ca 0.26 -0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 53.17 3m85 s LEU 95 Cb -0.12 -1.18 0.00 0.00 0.50 0.00 0.00 46.19 45.39 3m85 s LEU 95 CO 0.18 -0.16 1.06 -2.28 -1.32 0.00 0.00 176.35 173.83 3m85 s HIS 96 N 1.43 3.09 0.54 5.38 5.65 -1.26 -1.56 115.29 128.56 3m85 s HIS 96 Ca -0.01 1.43 0.27 0.00 0.25 0.00 0.00 55.06 57.00 3m85 s HIS 96 Cb -0.16 -2.90 1.43 0.00 -1.18 0.00 0.00 32.58 29.77 3m85 s HIS 96 CO -0.08 -1.21 1.97 -0.24 -0.65 0.00 0.00 174.74 174.53 3m85 h VAL 97 N -0.55 0.65 0.13 0.89 3.04 -1.64 -3.01 116.25 115.77 3m85 h VAL 97 Ca -0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.24 3m85 h VAL 97 Cb 1.21 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3m85 h VAL 97 CO 0.57 0.00 -0.06 0.77 -1.01 0.00 0.00 177.57 177.84 3m85 h SER 98 N 0.00 -0.15 0.00 3.17 4.64 -1.91 -3.36 113.55 115.94 3m85 h SER 98 Ca 0.28 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3m85 h SER 98 Cb 1.14 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3m85 h SER 98 CO -0.00 0.34 0.00 0.59 -0.87 0.00 0.00 176.83 176.89 3m85 n ASN 99 N -4.89 0.00 0.00 4.97 3.02 -1.14 -3.40 115.26 113.83 3m85 n ASN 99 Ca -0.02 -0.05 -0.17 0.00 -0.03 0.00 0.00 54.58 54.31 3m85 n ASN 99 Cb 0.07 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.13 3m85 n ASN 99 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3m85 h VAL 100 N 0.00 1.48 0.00 2.41 -1.51 -1.71 -2.18 116.25 114.74 3m85 h VAL 100 Ca 0.00 -2.14 0.00 0.00 -1.23 0.00 0.00 66.70 63.33 3m85 h VAL 100 Cb 0.00 2.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 3m85 h VAL 100 CO 0.00 0.61 0.00 -0.67 -1.23 0.00 0.00 177.57 176.28 3m85 n ASP 101 N -4.28 0.25 0.00 4.19 -0.08 -1.22 -3.72 116.55 111.69 3m85 n ASP 101 Ca -0.11 -0.84 0.00 0.00 -1.51 0.00 0.00 54.79 52.33 3m85 n ASP 101 Cb 0.66 0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.17 3m85 n ASP 101 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3m85 n GLU 102 N -0.06 0.00 0.20 -0.67 4.07 -1.23 -4.18 120.64 118.76 3m85 n GLU 102 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 3m85 n GLU 102 Cb 0.14 0.00 0.64 0.00 -0.06 0.00 0.00 31.44 32.16 3m85 n GLU 102 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3m85 h GLY 103 N 0.00 0.00 -0.76 8.31 0.00 -1.95 -3.48 103.07 105.19 3m85 h GLY 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m85 h GLY 103 CO 0.00 0.00 -0.19 -1.72 0.00 0.00 0.00 176.54 174.63 3m85 n TYR 104 N -2.36 -0.89 -4.22 5.60 4.01 -1.26 -5.08 117.16 112.95 3m85 n TYR 104 Ca -0.02 0.48 -0.17 0.00 -0.16 0.00 0.00 57.90 58.03 3m85 n TYR 104 Cb 0.12 -1.47 -0.11 0.00 -0.31 0.00 0.00 39.34 37.57 3m85 n TYR 104 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3m85 s VAL 105 N -2.55 1.22 -0.08 -0.72 1.01 -1.26 -4.98 120.40 113.04 3m85 s VAL 105 Ca 0.00 -1.63 -0.00 0.00 0.00 0.00 0.00 61.98 60.35 3m85 s VAL 105 Cb 0.00 -1.41 -0.26 0.00 0.00 0.00 0.00 36.38 34.71 3m85 s VAL 105 CO 0.00 -0.41 0.52 0.07 0.00 0.00 0.00 175.10 175.29 3m85 h LYS 106 N 3.67 0.18 0.21 2.72 2.10 -1.95 -3.41 116.57 120.09 3m85 h LYS 106 Ca -0.40 -0.31 -0.32 0.00 -2.00 0.00 0.00 60.65 57.62 3m85 h LYS 106 Cb 1.19 0.12 0.02 0.00 -0.90 0.00 0.00 32.23 32.67 3m85 h LYS 106 CO 0.49 0.98 -1.44 1.05 -2.00 0.00 0.00 179.45 178.53 3m85 h GLU 107 N 0.05 0.44 0.00 0.07 4.11 -1.97 -3.46 114.58 113.82 3m85 h GLU 107 Ca -0.36 -0.75 0.00 0.00 0.07 0.00 0.00 59.36 58.32 3m85 h GLU 107 Cb 2.03 0.28 0.00 0.00 0.50 0.00 0.00 28.75 31.56 3m85 h GLU 107 CO 0.10 1.35 0.00 1.51 0.07 0.00 0.00 179.01 182.04 3m85 n ILE 108 N -3.64 0.00 -1.67 -1.06 0.00 -1.26 -4.86 119.36 106.86 3m85 n ILE 108 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 62.75 62.31 3m85 n ILE 108 Cb 1.08 0.00 0.10 0.00 0.00 0.00 0.00 39.64 40.82 3m85 n ILE 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3m85 s SER 109 N 0.00 4.22 0.00 9.51 0.15 -1.26 -4.02 113.70 122.30 3m85 s SER 109 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 3m85 s SER 109 Cb 0.00 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 3m85 s SER 109 CO 0.00 -2.11 0.00 1.21 1.20 0.00 0.00 173.24 173.54 3m85 n GLU 110 N -3.48 0.00 0.09 5.44 0.00 -1.26 -4.65 120.64 116.77 3m85 n GLU 110 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.10 3m85 n GLU 110 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.95 3m85 n GLU 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3m85 h ALA 111 N 0.00 -0.91 -3.04 4.31 0.00 -1.75 -3.36 119.26 114.50 3m85 h ALA 111 Ca 0.00 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.16 3m85 h ALA 111 Cb 0.00 0.82 -0.32 0.00 0.00 0.00 0.00 17.79 18.29 3m85 h ALA 111 CO 0.00 -1.02 -0.81 0.54 0.00 0.00 0.00 179.25 177.96 3m85 s VAL 112 N -5.23 2.51 0.00 0.00 0.11 -1.26 -2.66 120.40 113.87 3m85 s VAL 112 Ca -0.13 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 3m85 s VAL 112 Cb 0.05 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.81 3m85 s VAL 112 CO 0.49 0.50 0.00 0.61 -3.33 0.00 0.00 175.10 173.37 3m85 n GLY 113 N 4.67 -0.33 2.77 6.54 0.00 -1.26 -4.75 105.19 112.83 3m85 n GLY 113 Ca -0.20 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 3m85 n GLY 113 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m85 s TYR 114 N 0.00 0.18 0.00 1.61 5.04 -1.26 -4.77 117.35 118.15 3m85 s TYR 114 Ca 0.00 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 3m85 s TYR 114 Cb 0.00 -0.38 0.00 0.00 0.35 0.00 0.00 41.96 41.93 3m85 s TYR 114 CO 0.00 -0.14 0.00 1.28 -1.34 0.00 0.00 175.55 175.35 3m85 n LEU 115 N 4.40 0.03 -4.76 6.97 4.77 -0.92 -4.76 117.00 122.75 3m85 n LEU 115 Ca -0.22 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.36 3m85 n LEU 115 Cb 0.50 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 3m85 n LEU 115 CO 0.19 -0.02 0.39 1.51 -1.33 0.00 0.00 177.39 178.14 3m85 s ASP 116 N -2.98 7.13 0.21 -1.43 3.84 -1.26 -4.84 116.67 117.33 3m85 s ASP 116 Ca 0.00 1.34 -0.25 0.00 -0.00 0.00 0.00 52.55 53.64 3m85 s ASP 116 Cb 0.00 -2.43 -0.08 0.00 -1.38 0.00 0.00 42.92 39.03 3m85 s ASP 116 CO 0.00 0.07 0.81 -0.63 -0.00 0.00 0.00 175.17 175.42 3m85 s ILE 117 N -0.21 4.34 0.00 2.11 1.01 -0.49 -3.31 121.20 124.66 3m85 s ILE 117 Ca 0.35 1.70 -0.15 0.00 0.00 0.00 0.00 60.65 62.55 3m85 s ILE 117 Cb -0.20 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.20 3m85 s ILE 117 CO 0.21 0.41 0.31 -1.48 0.00 0.00 0.00 174.94 174.39 3m85 s LEU 118 N -1.42 0.85 -0.35 2.97 2.34 -0.90 0.15 118.68 122.32 3m85 s LEU 118 Ca 0.40 0.01 -0.06 0.00 0.06 0.00 0.00 54.13 54.53 3m85 s LEU 118 Cb -0.22 1.30 0.05 0.00 -0.56 0.00 0.00 46.19 46.77 3m85 s LEU 118 CO 0.26 -0.50 0.13 -1.59 -1.06 0.00 0.00 176.35 173.58 3m85 s LYS 119 N -1.69 2.54 0.43 1.48 -2.85 -0.06 -1.99 119.74 117.60 3m85 s LYS 119 Ca -0.11 -1.29 0.08 0.00 -1.00 0.00 0.00 55.97 53.65 3m85 s LYS 119 Cb -0.04 -3.49 -0.01 0.00 -2.06 0.00 0.00 37.83 32.23 3m85 s LYS 119 CO 0.02 -0.74 0.40 0.00 0.10 0.00 0.00 175.35 175.13 3m85 s ALA 120 N 1.37 4.13 -0.08 0.59 0.00 -1.21 -1.92 121.76 124.63 3m85 s ALA 120 Ca -0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 51.96 50.05 3m85 s ALA 120 Cb -0.20 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3m85 s ALA 120 CO 0.02 -0.26 0.16 0.50 0.00 0.00 0.00 175.76 176.18 3m85 s ARG 121 N -4.17 3.46 0.25 0.00 3.52 -0.59 -2.20 118.95 119.22 3m85 s ARG 121 Ca 0.48 -0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.61 3m85 s ARG 121 Cb -0.04 -3.16 -0.09 0.00 -1.56 0.00 0.00 34.95 30.11 3m85 s ARG 121 CO 0.28 0.74 1.09 0.08 -0.81 0.00 0.00 175.30 176.68 3m85 s VAL 122 N -1.13 3.62 -0.30 7.11 1.01 0.93 -1.58 120.40 130.05 3m85 s VAL 122 Ca 0.19 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.64 3m85 s VAL 122 Cb -0.12 -4.00 0.16 0.00 0.00 0.00 0.00 36.38 32.42 3m85 s VAL 122 CO 0.09 0.35 0.81 -0.51 0.00 0.00 0.00 175.10 175.84 3m85 s ILE 123 N -0.95 -0.74 0.00 2.22 1.10 0.16 -2.88 121.20 120.11 3m85 s ILE 123 Ca 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.59 3m85 s ILE 123 Cb -0.31 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.30 3m85 s ILE 123 CO 0.39 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.83 3m85 n GLY 124 N 5.29 0.08 0.20 1.50 0.00 -1.26 -3.53 105.19 107.48 3m85 n GLY 124 Ca -0.08 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 3m85 n GLY 124 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3m85 h ASP 125 N 0.00 0.47 0.00 1.61 1.82 -2.00 -3.12 116.42 115.20 3m85 h ASP 125 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 3m85 h ASP 125 Cb 0.00 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.92 3m85 h ASP 125 CO 0.00 0.33 0.00 0.59 -1.61 0.00 0.00 179.24 178.55 3m85 n ASN 126 N -4.81 0.03 -0.45 2.28 4.13 -1.26 -4.63 115.26 110.54 3m85 n ASN 126 Ca 0.03 -0.24 -0.05 0.00 1.68 0.00 0.00 54.58 56.01 3m85 n ASN 126 Cb 0.08 -0.01 -0.01 0.00 -1.54 0.00 0.00 39.78 38.29 3m85 n ASN 126 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3m85 n LEU 127 N -0.26 -0.78 -4.71 3.41 4.77 -1.18 -4.61 117.00 113.65 3m85 n LEU 127 Ca 0.00 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 3m85 n LEU 127 Cb 0.01 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 3m85 n LEU 127 CO 0.00 -0.15 1.27 -0.13 -1.33 0.00 0.00 177.39 177.05 3m85 s ARG 128 N -3.31 4.20 0.46 3.23 0.52 -1.23 -4.32 118.95 118.51 3m85 s ARG 128 Ca 0.00 2.36 0.08 0.00 -0.52 0.00 0.00 55.73 57.65 3m85 s ARG 128 Cb 0.00 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.17 3m85 s ARG 128 CO 0.00 -0.66 0.53 -0.51 0.02 0.00 0.00 175.30 174.68 3m85 s LEU 129 N 1.70 3.36 0.28 2.53 1.43 -1.17 0.38 118.68 127.20 3m85 s LEU 129 Ca 0.72 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 3m85 s LEU 129 Cb -0.43 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.71 3m85 s LEU 129 CO 0.32 -0.88 0.62 -0.94 0.23 0.00 0.00 176.35 175.70 3m85 s SER 130 N -4.33 -0.08 0.00 2.29 1.04 -0.62 -4.67 113.70 107.33 3m85 s SER 130 Ca 0.52 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3m85 s SER 130 Cb -0.06 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3m85 s SER 130 CO 0.31 -1.31 0.01 0.41 0.98 0.00 0.00 173.24 173.65 3m85 n THR 131 N -0.45 0.00 1.05 2.02 -1.04 -0.82 -1.54 114.28 113.51 3m85 n THR 131 Ca -0.03 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.00 3m85 n THR 131 Cb 0.60 0.02 0.13 0.00 -1.82 0.00 0.00 70.33 69.26 3m85 n THR 131 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3m85 n LYS 132 N 0.00 0.52 -3.72 -2.82 5.02 -1.24 -4.57 118.16 111.35 3m85 n LYS 132 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3m85 n LYS 132 Cb 0.50 -1.13 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 3m85 n LYS 132 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3m85 s GLU 133 N -2.00 4.01 0.56 1.97 2.02 -1.26 -4.92 118.70 119.08 3m85 s GLU 133 Ca 0.06 -0.30 0.41 0.00 0.02 0.00 0.00 54.97 55.16 3m85 s GLU 133 Cb 0.03 -3.48 1.58 0.00 0.10 0.00 0.00 34.13 32.36 3m85 s GLU 133 CO 0.05 0.05 1.67 0.93 0.02 0.00 0.00 175.26 177.98 3m85 h GLU 134 N 7.52 0.00 -0.05 1.61 4.39 -1.97 0.37 114.58 126.45 3m85 h GLU 134 Ca -0.38 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.13 3m85 h GLU 134 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3m85 h GLU 134 CO 0.65 0.00 -0.80 1.49 -1.16 0.00 0.00 179.01 179.19 3m85 h GLU 135 N 0.00 0.39 -7.43 2.33 4.81 -1.92 -3.30 114.58 109.45 3m85 h GLU 135 Ca 0.70 -0.35 -0.46 0.00 -0.13 0.00 0.00 59.36 59.12 3m85 h GLU 135 Cb 2.92 0.08 0.14 0.00 0.63 0.00 0.00 28.75 32.52 3m85 h GLU 135 CO -0.01 1.00 0.26 -1.64 -0.73 0.00 0.00 179.01 177.89 3m85 s MET 136 N -3.49 0.86 0.00 1.92 -1.94 0.13 -3.75 119.30 113.03 3m85 s MET 136 Ca -0.05 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 54.31 3m85 s MET 136 Cb 0.10 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 35.14 3m85 s MET 136 CO 0.85 -2.41 0.00 0.41 -0.01 0.00 0.00 175.02 173.86 3m85 n GLY 137 N -1.74 0.99 3.77 -0.03 0.00 -0.81 -3.62 105.19 103.75 3m85 n GLY 137 Ca 0.06 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 3m85 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m85 s VAL 138 N -1.93 2.74 -0.20 1.61 1.01 0.23 -0.88 120.40 122.98 3m85 s VAL 138 Ca 0.00 0.72 0.16 0.00 0.00 0.00 0.00 61.98 62.86 3m85 s VAL 138 Cb 0.00 -3.45 -0.24 0.00 0.00 0.00 0.00 36.38 32.70 3m85 s VAL 138 CO 0.00 0.15 0.03 0.18 0.00 0.00 0.00 175.10 175.47 3m85 n LEU 139 N 0.63 0.38 -3.60 3.92 7.99 0.39 -1.93 117.00 124.79 3m85 n LEU 139 Ca 0.01 -0.02 -0.14 0.00 -0.01 0.00 0.00 56.01 55.85 3m85 n LEU 139 Cb 0.42 0.32 -0.07 0.00 -0.11 0.00 0.00 43.42 43.99 3m85 n LEU 139 CO 0.58 0.55 0.51 -0.60 -1.51 0.00 0.00 177.39 176.92 3m85 s ARG 140 N -2.49 0.82 0.03 3.23 3.00 -1.05 -1.95 118.95 120.54 3m85 s ARG 140 Ca -0.13 0.66 0.01 0.00 -1.00 0.00 0.00 55.73 55.27 3m85 s ARG 140 Cb 0.06 0.39 -0.02 0.00 0.00 0.00 0.00 34.95 35.39 3m85 s ARG 140 CO 0.79 -0.16 -0.05 0.00 0.00 0.00 0.00 175.30 175.88 3m85 s ALA 141 N -0.19 0.32 -0.06 6.12 0.00 -1.26 -1.39 121.76 125.30 3m85 s ALA 141 Ca -0.03 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.41 3m85 s ALA 141 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3m85 s ALA 141 CO 0.02 -0.07 -0.24 -0.51 0.00 0.00 0.00 175.76 174.96 3m85 s LEU 142 N -1.27 2.12 0.49 0.00 1.43 -1.26 0.35 118.68 120.54 3m85 s LEU 142 Ca -0.11 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 3m85 s LEU 142 Cb -0.08 -1.39 -0.08 0.00 0.03 0.00 0.00 46.19 44.66 3m85 s LEU 142 CO -0.00 0.25 1.02 0.00 0.23 0.00 0.00 176.35 177.85 3m85 h SER 144 N 1.48 0.61 0.00 0.00 0.02 -1.96 -0.77 113.55 112.93 3m85 h SER 144 Ca -0.49 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 3m85 h SER 144 Cb 1.21 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3m85 h SER 144 CO 0.59 1.29 -0.05 -0.55 -1.14 0.00 0.00 176.83 176.97 3m85 h ASN 145 N 0.26 0.00 -0.00 3.07 -0.00 -1.99 -3.39 115.58 113.52 3m85 h ASN 145 Ca -0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.04 3m85 h ASN 145 Cb 1.61 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.92 3m85 h ASN 145 CO 0.17 0.52 -0.58 0.00 -0.00 0.00 0.00 177.43 177.55 3m85 n LYS 147 N -3.95 -0.08 -1.49 0.00 4.76 -0.29 -4.98 118.16 112.13 3m85 n LYS 147 Ca -0.04 0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 3m85 n LYS 147 Cb 0.62 -4.01 0.08 0.00 -1.84 0.00 0.00 35.03 29.89 3m85 n LYS 147 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3m85 s THR 148 N -1.75 2.83 -0.07 -0.18 2.01 -1.26 -4.65 115.64 112.57 3m85 s THR 148 Ca 0.00 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 3m85 s THR 148 Cb 0.00 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 3m85 s THR 148 CO 0.00 -0.26 1.03 -0.70 -0.69 0.00 0.00 174.62 174.01 3m85 s GLU 149 N -4.18 4.44 0.53 4.92 2.12 -1.26 -2.39 118.70 122.88 3m85 s GLU 149 Ca 0.69 1.45 -0.22 0.00 0.36 0.00 0.00 54.97 57.25 3m85 s GLU 149 Cb -0.23 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 3m85 s GLU 149 CO 0.46 -0.27 1.29 -1.64 -0.54 0.00 0.00 175.26 174.55 3m85 s MET 150 N 1.78 3.27 0.02 4.30 -1.94 0.15 -4.78 119.30 122.11 3m85 s MET 150 Ca 0.50 2.06 0.01 0.00 -1.71 0.00 0.00 55.69 56.56 3m85 s MET 150 Cb -0.20 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 3m85 s MET 150 CO 0.21 -1.03 0.07 0.54 -0.01 0.00 0.00 175.02 174.79 3m85 s VAL 151 N -1.40 4.57 -0.69 -6.03 0.11 -0.86 -4.70 120.40 111.39 3m85 s VAL 151 Ca 0.70 -0.55 -0.26 0.00 -2.93 0.00 0.00 61.98 58.94 3m85 s VAL 151 Cb -0.36 -3.11 0.04 0.00 -1.53 0.00 0.00 36.38 31.41 3m85 s VAL 151 CO 0.42 0.29 1.19 -0.60 -3.33 0.00 0.00 175.10 173.08 3m85 s ARG 152 N -1.89 3.23 0.39 1.54 3.00 -1.26 -2.75 118.95 121.20 3m85 s ARG 152 Ca 0.24 -0.28 0.08 0.00 -1.00 0.00 0.00 55.73 54.77 3m85 s ARG 152 Cb -0.12 -4.16 -0.05 0.00 0.00 0.00 0.00 34.95 30.62 3m85 s ARG 152 CO 0.16 -1.99 0.11 -1.21 0.00 0.00 0.00 175.30 172.37 3m85 s GLU 153 N 5.24 2.17 0.14 5.12 2.02 -1.06 -5.07 118.70 127.25 3m85 s GLU 153 Ca 0.34 -1.82 -0.33 0.00 0.02 0.00 0.00 54.97 53.17 3m85 s GLU 153 Cb -0.10 -1.95 -0.17 0.00 0.10 0.00 0.00 34.13 32.01 3m85 s GLU 153 CO 0.16 -0.02 0.98 0.41 0.02 0.00 0.00 175.26 176.81 3m85 n GLY 154 N -1.12 -0.49 4.05 -1.39 0.00 -1.26 -2.45 105.19 102.53 3m85 n GLY 154 Ca -0.03 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3m85 n GLY 154 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3m85 n ASP 155 N 1.85 0.00 -3.28 1.61 5.68 -1.26 -4.75 116.55 116.40 3m85 n ASP 155 Ca 0.17 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.42 3m85 n ASP 155 Cb 0.21 -1.47 0.02 0.00 -1.14 0.00 0.00 41.12 38.73 3m85 n ASP 155 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 3m85 s ILE 156 N -0.75 0.00 0.01 2.12 1.10 -1.03 -4.96 121.20 117.69 3m85 s ILE 156 Ca 0.00 -0.68 0.02 0.00 -0.51 0.00 0.00 60.65 59.48 3m85 s ILE 156 Cb 0.00 -2.85 -0.01 0.00 0.15 0.00 0.00 42.46 39.75 3m85 s ILE 156 CO 0.00 0.00 -0.06 -1.48 -2.11 0.00 0.00 174.94 171.29 3m85 s LEU 157 N -3.32 2.09 -0.08 8.50 0.05 -1.23 -2.57 118.68 122.13 3m85 s LEU 157 Ca 0.20 -0.24 -0.12 0.00 0.05 0.00 0.00 54.13 54.02 3m85 s LEU 157 Cb -0.03 -0.24 0.03 0.00 -2.05 0.00 0.00 46.19 43.89 3m85 s LEU 157 CO 0.07 -0.02 0.31 -1.59 -0.55 0.00 0.00 176.35 174.56 3m85 s LYS 158 N -0.59 0.48 0.41 1.48 -2.85 -1.11 -2.13 119.74 115.43 3m85 s LYS 158 Ca -0.02 0.19 -0.25 0.00 -1.00 0.00 0.00 55.97 54.90 3m85 s LYS 158 Cb -0.05 0.22 -0.08 0.00 -2.06 0.00 0.00 37.83 35.86 3m85 s LYS 158 CO 0.00 -0.09 1.15 0.00 0.10 0.00 0.00 175.35 176.51 3m85 h PRO 160 N 2.49 0.00 0.00 0.00 0.11 -1.93 -2.66 132.00 130.01 3m85 h PRO 160 Ca -0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 3m85 h PRO 160 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3m85 h PRO 160 CO 0.62 0.06 -1.38 -1.91 -0.21 0.00 0.00 178.00 175.18 3m85 n GLU 161 N -3.04 0.62 -0.04 1.05 4.07 -1.26 -4.62 120.64 117.42 3m85 n GLU 161 Ca 0.03 0.19 -0.07 0.00 -0.06 0.00 0.00 57.16 57.25 3m85 n GLU 161 Cb 0.56 -1.80 -0.03 0.00 -0.06 0.00 0.00 31.44 30.11 3m85 n GLU 161 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3m85 n GLY 163 N 2.74 1.73 3.29 0.00 0.00 -1.00 -5.04 105.19 106.90 3m85 n GLY 163 Ca -0.15 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3m85 n GLY 163 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3m85 n ARG 164 N 0.00 -0.08 -3.90 1.61 0.63 -1.26 -4.60 116.66 109.07 3m85 n ARG 164 Ca 0.00 0.01 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 3m85 n ARG 164 Cb 0.00 -1.55 -0.17 0.00 0.45 0.00 0.00 32.46 31.19 3m85 n ARG 164 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3m85 s VAL 165 N -2.17 0.39 0.28 5.15 1.01 -1.26 -2.94 120.40 120.87 3m85 s VAL 165 Ca 0.53 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.63 3m85 s VAL 165 Cb -0.24 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3m85 s VAL 165 CO 0.70 0.24 0.26 -1.61 0.00 0.00 0.00 175.10 174.69 3m85 s GLU 166 N 1.56 2.95 0.07 2.72 2.02 -0.91 -5.01 118.70 122.11 3m85 s GLU 166 Ca -0.01 -1.08 0.02 0.00 0.02 0.00 0.00 54.97 53.92 3m85 s GLU 166 Cb -0.13 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 3m85 s GLU 166 CO -0.03 0.30 0.10 -1.59 0.02 0.00 0.00 175.26 174.06 3m85 s LYS 167 N -3.92 2.99 -0.10 1.61 -2.85 -1.26 -3.53 119.74 112.68 3m85 s LYS 167 Ca 0.36 -0.63 -0.16 0.00 -1.00 0.00 0.00 55.97 54.53 3m85 s LYS 167 Cb -0.08 -2.79 0.04 0.00 -2.06 0.00 0.00 37.83 32.94 3m85 s LYS 167 CO 0.26 0.58 0.41 1.03 0.10 0.00 0.00 175.35 177.73 3m85 s ARG 168 N -2.39 0.61 -1.00 1.78 1.81 -1.26 -4.32 118.95 114.19 3m85 s ARG 168 Ca 0.30 0.29 -0.24 0.00 -1.72 0.00 0.00 55.73 54.35 3m85 s ARG 168 Cb -0.12 0.29 -0.10 0.00 -0.45 0.00 0.00 34.95 34.56 3m85 s ARG 168 CO 0.23 -0.13 2.04 0.15 -0.68 0.00 0.00 175.30 176.91 3m85 s LYS 169 N -0.46 2.19 0.15 3.54 1.02 -1.09 -4.92 119.74 120.17 3m85 s LYS 169 Ca -0.06 -0.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.17 3m85 s LYS 169 Cb -0.03 -5.06 -0.07 0.00 -0.52 0.00 0.00 37.83 32.14 3m85 s LYS 169 CO 0.03 -4.04 1.14 0.42 -0.92 0.00 0.00 175.35 171.98 3m85 s ILE 170 N 12.11 3.87 0.21 2.17 1.01 -1.26 -0.60 121.20 138.71 3m85 s ILE 170 Ca 0.75 1.53 -0.27 0.00 0.00 0.00 0.00 60.65 62.65 3m85 s ILE 170 Cb -0.06 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 3m85 s ILE 170 CO 0.08 0.22 0.86 -0.55 0.00 0.00 0.00 174.94 175.55 3m85 s SER 171 N 0.24 7.50 0.36 3.58 0.15 -0.81 -4.69 113.70 120.03 3m85 s SER 171 Ca 0.52 1.79 0.24 0.00 0.70 0.00 0.00 55.95 59.21 3m85 s SER 171 Cb -0.30 -2.55 1.28 0.00 -1.71 0.00 0.00 66.02 62.73 3m85 s SER 171 CO 0.34 0.16 1.40 0.41 1.20 0.00 0.00 173.24 176.75 3m85 n THR 172 N 1.44 -0.29 0.06 6.45 -1.04 -1.24 -0.76 114.28 118.89 3m85 n THR 172 Ca -0.03 1.71 0.06 0.00 -2.04 0.00 0.00 64.05 63.75 3m85 n THR 172 Cb 0.48 -2.79 0.25 0.00 -1.82 0.00 0.00 70.33 66.45 3m85 n THR 172 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3m85 n ASP 173 N -4.74 3.45 -4.67 8.00 10.43 -1.26 -4.91 116.55 122.86 3m85 n ASP 173 Ca 0.35 -2.33 -0.46 0.00 2.57 0.00 0.00 54.79 54.92 3m85 n ASP 173 Cb 1.29 -0.49 -0.04 0.00 1.84 0.00 0.00 41.12 43.72 3m85 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3m85 n TYR 174 N 0.67 2.38 -0.82 1.24 9.36 0.06 -1.03 117.16 129.01 3m85 n TYR 174 Ca 0.18 -0.15 0.00 0.00 3.32 0.00 0.00 57.90 61.25 3m85 n TYR 174 Cb 0.66 -2.72 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 3m85 n TYR 174 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3m85 n GLY 175 N 4.55 1.19 0.11 2.98 0.00 -0.82 -4.86 105.19 108.34 3m85 n GLY 175 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3m85 n GLY 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m85 n LYS 176 N -2.00 0.21 -1.03 1.61 5.02 -0.20 -4.88 118.16 116.89 3m85 n LYS 176 Ca 0.00 0.29 -0.01 0.00 -2.02 0.00 0.00 58.31 56.57 3m85 n LYS 176 Cb 0.00 -1.80 -0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3m85 n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m85 n GLY 177 N 0.71 0.49 3.17 0.72 0.00 -1.26 -5.00 105.19 104.01 3m85 n GLY 177 Ca 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 3m85 n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m85 s GLU 178 N -0.91 0.97 0.00 1.61 2.02 -1.26 -5.22 118.70 115.91 3m85 s GLU 178 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.54 3m85 s GLU 178 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.48 3m85 s GLU 178 CO 0.00 -0.28 0.00 -2.67 0.02 0.00 0.00 175.26 172.33