#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m85 h ARG 2 N 0.00 0.00 -6.36 2.12 3.08 -1.95 -3.47 114.38 107.81 3m85 h ARG 2 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3m85 h ARG 2 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.11 3m85 h ARG 2 CO 0.00 0.00 0.47 0.34 -1.07 0.00 0.00 179.97 179.71 3m85 n PHE 3 N -2.75 1.64 -4.22 3.04 7.35 -1.26 -1.18 117.46 120.08 3m85 n PHE 3 Ca 0.01 0.57 -0.18 0.00 -0.76 0.00 0.00 57.45 57.09 3m85 n PHE 3 Cb 0.54 -2.36 -0.11 0.00 0.35 0.00 0.00 39.48 37.90 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 0.32 1.25 0.18 -2.13 -7.23 -0.13 -4.87 120.40 107.78 3m85 s VAL 4 Ca 0.79 -1.62 0.06 0.00 -1.81 0.00 0.00 61.98 59.40 3m85 s VAL 4 Cb -0.85 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 3m85 s VAL 4 CO 0.47 -0.39 0.11 -0.04 -0.31 0.00 0.00 175.10 174.94 3m85 s MET 5 N -2.48 2.76 0.37 4.82 -1.94 -1.26 -2.27 119.30 119.30 3m85 s MET 5 Ca 0.06 -0.98 -0.27 0.00 -1.71 0.00 0.00 55.69 52.79 3m85 s MET 5 Cb -0.06 -2.54 -0.12 0.00 2.01 0.00 0.00 34.83 34.12 3m85 s MET 5 CO 0.03 0.46 1.28 -2.30 -0.01 0.00 0.00 175.02 174.48 3m85 n PRO 6 N -0.43 2.07 -0.14 2.03 -0.02 -1.22 -1.74 135.00 135.54 3m85 n PRO 6 Ca -0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3m85 n PRO 6 Cb 0.55 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.78 1.04 3.72 -1.23 0.00 -0.25 -4.99 105.19 104.26 3m85 n GLY 7 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3m85 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m85 s ASP 8 N -2.88 7.34 0.05 1.61 -0.00 -0.71 -4.84 116.67 117.23 3m85 s ASP 8 Ca 0.00 1.62 -0.31 0.00 -0.00 0.00 0.00 52.55 53.86 3m85 s ASP 8 Cb 0.00 -2.55 -0.07 0.00 -0.00 0.00 0.00 42.92 40.30 3m85 s ASP 8 CO 0.00 -0.17 1.54 -0.60 -0.00 0.00 0.00 175.17 175.94 3m85 s ARG 9 N 0.64 4.24 -0.26 8.23 3.52 -1.26 -1.59 118.95 132.47 3m85 s ARG 9 Ca 0.48 2.18 0.01 0.00 -0.13 0.00 0.00 55.73 58.27 3m85 s ARG 9 Cb -0.21 -3.55 -0.17 0.00 -1.56 0.00 0.00 34.95 29.46 3m85 s ARG 9 CO 0.27 -0.65 -0.23 -0.89 -0.81 0.00 0.00 175.30 172.99 3m85 n ILE 10 N 4.63 1.47 -3.57 4.11 5.41 -0.17 -4.94 119.36 126.30 3m85 n ILE 10 Ca 0.14 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3m85 n ILE 10 Cb 0.42 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 3m85 n ILE 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3m85 n GLY 11 N 2.23 -1.25 3.80 7.39 0.00 -1.22 -4.99 105.19 111.15 3m85 n GLY 11 Ca -0.46 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.00 7.16 0.61 1.61 1.04 -1.26 -0.10 113.70 118.75 3m85 s SER 12 Ca 0.00 1.72 0.40 0.00 0.48 0.00 0.00 55.95 58.55 3m85 s SER 12 Cb 0.00 -2.54 2.06 0.00 0.10 0.00 0.00 66.02 65.64 3m85 s SER 12 CO 0.00 -0.16 2.22 0.00 0.98 0.00 0.00 173.24 176.28 3m85 h ALA 13 N 2.76 1.00 -0.18 5.32 0.00 -0.55 -1.44 119.26 126.18 3m85 h ALA 13 Ca -0.48 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 3m85 h ALA 13 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3m85 h ALA 13 CO 0.64 0.00 -0.44 0.93 0.00 0.00 0.00 179.25 180.38 3m85 h GLU 14 N 0.00 0.61 0.79 0.00 5.08 -1.93 -3.37 114.58 115.76 3m85 h GLU 14 Ca 0.00 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 3m85 h GLU 14 Cb 0.14 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.46 3m85 h GLU 14 CO 0.00 1.04 -0.38 1.49 -1.00 0.00 0.00 179.01 180.16 3m85 h GLU 15 N 0.28 -1.02 -5.56 2.33 4.81 -1.66 -3.47 114.58 110.28 3m85 h GLU 15 Ca -0.00 0.07 -0.63 0.00 -0.13 0.00 0.00 59.36 58.67 3m85 h GLU 15 Cb 1.05 0.23 -0.11 0.00 0.63 0.00 0.00 28.75 30.56 3m85 h GLU 15 CO 0.10 -0.68 -0.49 0.71 -0.73 0.00 0.00 179.01 177.92 3m85 s TYR 16 N -5.02 2.11 -0.26 0.92 1.51 -1.02 -4.91 117.35 110.68 3m85 s TYR 16 Ca -0.15 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.11 3m85 s TYR 16 Cb 0.02 -1.77 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 3m85 s TYR 16 CO 0.46 0.14 -0.09 0.08 -1.11 0.00 0.00 175.55 175.04 3m85 s VAL 17 N -2.77 2.47 -0.47 0.71 1.01 0.35 -4.70 120.40 117.01 3m85 s VAL 17 Ca 0.24 -1.39 -0.43 0.00 0.00 0.00 0.00 61.98 60.40 3m85 s VAL 17 Cb 0.03 -2.36 -0.18 0.00 0.00 0.00 0.00 36.38 33.87 3m85 s VAL 17 CO 0.13 0.06 2.01 1.17 0.00 0.00 0.00 175.10 178.47 3m85 n LYS 18 N 4.54 0.18 -1.76 2.72 4.81 -1.26 -3.03 118.16 124.37 3m85 n LYS 18 Ca -0.15 0.06 -0.04 0.00 -0.87 0.00 0.00 58.31 57.30 3m85 n LYS 18 Cb 0.44 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.85 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 6.47 2.75 3.67 3.14 0.00 -0.20 -4.94 105.19 116.09 3m85 n GLY 19 Ca 0.47 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3m85 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3m85 s GLU 20 N -2.39 4.17 0.00 1.61 -1.05 -1.26 -2.01 118.70 117.76 3m85 s GLU 20 Ca 0.06 2.41 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 3m85 s GLU 20 Cb -0.01 -3.86 0.00 0.00 -0.44 0.00 0.00 34.13 29.82 3m85 s GLU 20 CO 0.04 -0.84 0.00 0.41 0.95 0.00 0.00 175.26 175.82 3m85 n GLY 21 N 4.22 0.77 3.17 -3.83 0.00 -1.26 -1.54 105.19 106.72 3m85 n GLY 21 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 1.22 0.14 1.61 1.01 -0.85 -0.62 120.40 120.91 3m85 s VAL 22 Ca 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.91 3m85 s VAL 22 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3m85 s VAL 22 CO 0.00 -0.04 -0.17 -0.72 0.00 0.00 0.00 175.10 174.17 3m85 s TYR 23 N -0.98 1.67 0.08 5.22 -0.85 -0.74 -4.71 117.35 117.03 3m85 s TYR 23 Ca 0.02 -0.49 0.04 0.00 -0.52 0.00 0.00 57.07 56.11 3m85 s TYR 23 Cb -0.09 -0.86 -0.04 0.00 0.38 0.00 0.00 41.96 41.36 3m85 s TYR 23 CO 0.02 0.25 0.04 -2.00 -1.52 0.00 0.00 175.55 172.34 3m85 s GLU 24 N -2.61 2.72 -0.30 -3.49 -6.30 -1.26 -1.83 118.70 105.63 3m85 s GLU 24 Ca 0.12 -0.76 -0.16 0.00 -2.50 0.00 0.00 54.97 51.66 3m85 s GLU 24 Cb -0.06 -2.64 0.19 0.00 0.00 0.00 0.00 34.13 31.62 3m85 s GLU 24 CO 0.05 0.55 1.19 -2.00 0.02 0.00 0.00 175.26 175.08 3m85 s GLU 25 N -2.35 0.13 -0.52 4.30 2.12 -0.58 -4.96 118.70 116.85 3m85 s GLU 25 Ca 0.28 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.84 3m85 s GLU 25 Cb -0.12 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.33 3m85 s GLU 25 CO 0.20 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 3m85 n GLY 26 N 3.55 0.71 0.34 -1.50 0.00 -1.26 -1.98 105.19 105.05 3m85 n GLY 26 Ca -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.53 0.69 3.99 -0.02 0.00 -1.26 -5.06 105.19 102.01 3m85 n GLY 27 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.89 3.02 0.02 1.61 0.41 -0.84 0.14 118.70 122.18 3m85 s GLU 28 Ca 0.00 -1.04 0.07 0.00 -0.41 0.00 0.00 54.97 53.59 3m85 s GLU 28 Cb 0.00 -2.78 -0.03 0.00 -1.78 0.00 0.00 34.13 29.54 3m85 s GLU 28 CO 0.00 -0.06 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.00 3m85 s LEU 29 N -4.26 2.49 0.02 1.80 1.43 0.85 -1.52 118.68 119.49 3m85 s LEU 29 Ca 0.48 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3m85 s LEU 29 Cb -0.10 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 3m85 s LEU 29 CO 0.32 0.28 -0.03 -0.36 0.23 0.00 0.00 176.35 176.79 3m85 s PHE 30 N -0.84 0.28 0.19 0.29 0.40 -0.76 -1.00 117.98 116.54 3m85 s PHE 30 Ca 0.13 -0.43 -0.31 0.00 -0.60 0.00 0.00 56.93 55.72 3m85 s PHE 30 Cb -0.10 -0.19 -0.10 0.00 0.51 0.00 0.00 43.02 43.14 3m85 s PHE 30 CO 0.03 -0.14 1.54 0.00 0.70 0.00 0.00 175.22 177.35 3m85 s ALA 31 N -1.19 3.74 -0.08 5.36 0.00 -0.62 -1.80 121.76 127.17 3m85 s ALA 31 Ca -0.12 1.37 0.14 0.00 0.00 0.00 0.00 51.96 53.35 3m85 s ALA 31 Cb -0.08 -3.61 -0.23 0.00 0.00 0.00 0.00 23.12 19.20 3m85 s ALA 31 CO -0.01 -0.78 0.57 0.00 0.00 0.00 0.00 175.76 175.54 3m85 n ALA 32 N 3.50 1.56 -2.57 0.00 0.00 0.21 -1.08 120.51 122.13 3m85 n ALA 32 Ca 0.12 -0.85 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 3m85 n ALA 32 Cb 0.39 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.62 1.32 0.24 0.00 -7.23 -1.24 -4.65 120.40 106.21 3m85 s VAL 33 Ca -0.05 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 3m85 s VAL 33 Cb 0.08 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 3m85 s VAL 33 CO 0.83 0.00 0.55 0.00 -0.31 0.00 0.00 175.10 176.17 3m85 s ALA 34 N -3.03 3.56 0.00 1.32 0.00 -1.26 -3.41 121.76 118.94 3m85 s ALA 34 Ca 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3m85 s ALA 34 Cb 0.07 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.75 3m85 s ALA 34 CO 0.14 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.79 3m85 n GLY 35 N -0.21 0.41 3.58 0.00 0.00 -0.96 -1.26 105.19 106.75 3m85 n GLY 35 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 3.76 0.05 1.61 2.20 -1.06 -0.96 119.74 123.35 3m85 s LYS 36 Ca 0.00 0.17 -0.31 0.00 -0.36 0.00 0.00 55.97 55.47 3m85 s LYS 36 Cb 0.00 -3.78 -0.07 0.00 -1.51 0.00 0.00 37.83 32.47 3m85 s LYS 36 CO 0.00 -0.69 1.45 -1.17 -0.36 0.00 0.00 175.35 174.58 3m85 s LEU 37 N 2.72 4.34 -0.07 5.43 0.20 -0.32 -1.79 118.68 129.19 3m85 s LEU 37 Ca 0.25 2.26 0.03 0.00 0.69 0.00 0.00 54.13 57.37 3m85 s LEU 37 Cb -0.14 -3.57 0.01 0.00 -0.43 0.00 0.00 46.19 42.05 3m85 s LEU 37 CO 0.14 -0.73 -0.16 -0.63 -0.29 0.00 0.00 176.35 174.67 3m85 s ILE 38 N 2.01 1.42 -0.48 6.68 1.01 -0.29 -4.88 121.20 126.68 3m85 s ILE 38 Ca 0.66 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.68 3m85 s ILE 38 Cb -0.35 -1.26 0.12 0.00 0.01 0.00 0.00 42.46 40.99 3m85 s ILE 38 CO 0.29 0.42 0.21 -0.63 0.00 0.00 0.00 174.94 175.22 3m85 s ILE 39 N 0.40 2.51 -0.36 2.92 1.01 -1.26 -1.60 121.20 124.83 3m85 s ILE 39 Ca -0.12 -3.09 -0.11 0.00 0.00 0.00 0.00 60.65 57.33 3m85 s ILE 39 Cb -0.15 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.56 3m85 s ILE 39 CO 0.04 -0.75 0.20 -0.75 0.00 0.00 0.00 174.94 173.68 3m85 s LYS 40 N -0.01 2.98 -0.49 2.79 2.20 -0.79 -4.74 119.74 121.68 3m85 s LYS 40 Ca 0.16 -0.97 -0.00 0.00 -0.36 0.00 0.00 55.97 54.79 3m85 s LYS 40 Cb -0.24 -3.71 -0.00 0.00 -1.51 0.00 0.00 37.83 32.37 3m85 s LYS 40 CO -0.02 -0.63 0.46 -0.25 -0.36 0.00 0.00 175.35 174.55 3m85 n ASP 41 N 5.01 -5.71 0.00 1.43 8.00 -1.26 -3.03 116.55 120.99 3m85 n ASP 41 Ca -0.12 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3m85 n ASP 41 Cb 0.47 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 3m85 n ASP 41 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3m85 n ARG 42 N -1.55 0.00 -3.53 -1.24 5.12 -1.26 -4.90 116.66 109.30 3m85 n ARG 42 Ca -0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 3m85 n ARG 42 Cb 0.50 -3.64 -0.10 0.00 -1.16 0.00 0.00 32.46 28.06 3m85 n ARG 42 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3m85 s VAL 43 N -0.89 5.27 -0.21 1.55 1.01 -1.17 -0.50 120.40 125.46 3m85 s VAL 43 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 3m85 s VAL 43 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3m85 s VAL 43 CO 0.00 0.14 0.11 0.00 0.00 0.00 0.00 175.10 175.36 3m85 s ALA 44 N 1.82 3.55 0.05 5.51 0.00 -1.17 -1.89 121.76 129.63 3m85 s ALA 44 Ca 0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 3m85 s ALA 44 Cb -0.16 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 3m85 s ALA 44 CO 0.11 0.04 0.03 -1.59 0.00 0.00 0.00 175.76 174.35 3m85 s LYS 45 N 0.61 0.59 -0.11 0.00 -2.85 -0.63 -1.03 119.74 116.32 3m85 s LYS 45 Ca 0.06 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 3m85 s LYS 45 Cb -0.12 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 35.85 3m85 s LYS 45 CO 0.01 -0.13 -0.11 0.08 0.10 0.00 0.00 175.35 175.29 3m85 s VAL 46 N -3.20 3.23 -0.62 1.79 1.01 -0.59 -1.14 120.40 120.89 3m85 s VAL 46 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 3m85 s VAL 46 Cb 0.03 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 34.10 3m85 s VAL 46 CO -0.07 0.54 1.05 -1.61 0.00 0.00 0.00 175.10 175.01 3m85 s GLU 47 N 0.01 3.28 0.38 2.72 2.02 -0.74 -4.40 118.70 121.98 3m85 s GLU 47 Ca -0.03 -0.30 -0.26 0.00 0.02 0.00 0.00 54.97 54.40 3m85 s GLU 47 Cb -0.14 -4.11 -0.12 0.00 0.10 0.00 0.00 34.13 29.86 3m85 s GLU 47 CO 0.04 -1.72 1.06 0.45 0.02 0.00 0.00 175.26 175.11 3m85 n SER 48 N 8.05 1.54 0.05 -0.19 2.88 -1.26 -2.57 113.62 122.11 3m85 n SER 48 Ca 0.02 1.10 0.10 0.00 -1.33 0.00 0.00 58.87 58.76 3m85 n SER 48 Cb 0.48 -1.36 0.43 0.00 -0.75 0.00 0.00 64.21 63.00 3m85 n SER 48 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3m85 n ILE 49 N -0.19 0.72 -3.14 2.46 -5.35 -0.39 -4.01 119.36 109.45 3m85 n ILE 49 Ca 0.09 0.13 -0.18 0.00 -0.27 0.00 0.00 62.75 62.52 3m85 n ILE 49 Cb 0.37 -0.90 -0.06 0.00 -1.74 0.00 0.00 39.64 37.31 3m85 n ILE 49 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3m85 s SER 50 N -3.55 0.28 0.62 7.28 0.15 -1.26 -5.11 113.70 112.10 3m85 s SER 50 Ca 0.08 -2.48 -0.18 0.00 0.70 0.00 0.00 55.95 54.07 3m85 s SER 50 Cb 0.12 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 3m85 s SER 50 CO 0.39 -0.13 0.90 -2.65 1.20 0.00 0.00 173.24 172.96 3m85 n PRO 51 N 2.95 0.78 -3.66 5.44 -0.02 -1.26 -4.99 135.00 134.24 3m85 n PRO 51 Ca 0.24 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 3m85 n PRO 51 Cb 0.51 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3m85 n PRO 51 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3m85 s ILE 52 N -1.58 3.84 0.62 4.25 1.01 -1.26 -4.93 121.20 123.15 3m85 s ILE 52 Ca 0.75 -1.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 3m85 s ILE 52 Cb -0.41 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3m85 s ILE 52 CO 0.48 -0.65 1.04 -0.81 0.00 0.00 0.00 174.94 174.99 3m85 n PRO 53 N 4.79 0.92 -4.12 2.79 -0.04 -1.26 -4.71 135.00 133.38 3m85 n PRO 53 Ca -0.07 0.36 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 3m85 n PRO 53 Cb 0.42 -2.25 -0.17 0.00 -0.04 0.00 0.00 33.50 31.45 3m85 n PRO 53 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3m85 s GLU 54 N -2.93 0.94 0.03 0.54 2.12 -1.26 -1.97 118.70 116.17 3m85 s GLU 54 Ca 0.78 -0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.69 3m85 s GLU 54 Cb -0.40 -0.99 -0.05 0.00 0.26 0.00 0.00 34.13 32.95 3m85 s GLU 54 CO 0.45 -0.12 1.23 0.42 -0.54 0.00 0.00 175.26 176.69 3m85 s ILE 55 N 1.14 4.03 0.00 -3.70 1.01 -1.26 -5.01 121.20 117.41 3m85 s ILE 55 Ca -0.07 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.01 3m85 s ILE 55 Cb -0.14 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3m85 s ILE 55 CO -0.01 0.07 0.00 1.33 0.00 0.00 0.00 174.94 176.33 3m85 n VAL 56 N 4.16 0.00 -2.70 2.92 0.24 -1.26 -4.99 118.33 116.70 3m85 n VAL 56 Ca 0.10 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.98 3m85 n VAL 56 Cb 0.46 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 3m85 n VAL 56 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3m85 s LYS 57 N -1.42 4.54 0.00 7.34 2.20 -1.26 -3.55 119.74 127.59 3m85 s LYS 57 Ca 0.00 1.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 3m85 s LYS 57 Cb 0.00 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3m85 s LYS 57 CO 0.00 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 3m85 n GLY 58 N 2.93 2.14 3.73 5.54 0.00 -0.93 -5.03 105.19 113.57 3m85 n GLY 58 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.85 6.77 -0.16 1.61 -0.00 -1.23 -4.73 116.67 118.08 3m85 s ASP 59 Ca 0.00 2.46 -0.26 0.00 -0.00 0.00 0.00 52.55 54.75 3m85 s ASP 59 Cb 0.00 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.31 3m85 s ASP 59 CO 0.00 -0.66 0.84 -0.69 -0.00 0.00 0.00 175.17 174.66 3m85 s VAL 60 N 0.69 4.88 0.25 -1.27 1.01 -1.26 -1.56 120.40 123.14 3m85 s VAL 60 Ca 0.63 1.66 0.07 0.00 0.00 0.00 0.00 61.98 64.34 3m85 s VAL 60 Cb -0.39 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 3m85 s VAL 60 CO 0.34 0.03 -0.09 -0.69 0.00 0.00 0.00 175.10 174.70 3m85 s VAL 61 N 2.10 1.64 0.07 2.92 1.01 0.46 -1.22 120.40 127.38 3m85 s VAL 61 Ca 0.39 -2.15 0.06 0.00 0.00 0.00 0.00 61.98 60.28 3m85 s VAL 61 Cb -0.17 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3m85 s VAL 61 CO 0.13 -0.42 -0.17 -0.22 0.00 0.00 0.00 175.10 174.42 3m85 s LEU 62 N -3.38 2.23 -0.05 3.92 2.96 -0.95 0.31 118.68 123.72 3m85 s LEU 62 Ca 0.27 -0.57 -0.31 0.00 -0.22 0.00 0.00 54.13 53.29 3m85 s LEU 62 Cb 0.02 -0.71 0.12 0.00 0.50 0.00 0.00 46.19 46.12 3m85 s LEU 62 CO 0.10 0.03 1.21 -0.83 -1.32 0.00 0.00 176.35 175.54 3m85 s GLY 63 N -1.52 -0.36 0.05 7.98 0.00 -0.30 -2.71 107.32 110.46 3m85 s GLY 63 Ca 0.03 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.68 3m85 s GLY 63 CO 0.02 0.25 0.17 -1.60 0.00 0.00 0.00 173.10 171.94 3m85 s ARG 64 N -2.54 3.29 -0.29 2.90 3.52 -1.13 0.20 118.95 124.90 3m85 s ARG 64 Ca 0.12 -0.48 -0.23 0.00 -0.13 0.00 0.00 55.73 55.01 3m85 s ARG 64 Cb 0.02 -2.97 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 3m85 s ARG 64 CO -0.04 0.61 0.76 0.08 -0.81 0.00 0.00 175.30 175.90 3m85 s VAL 65 N -1.43 4.84 -0.38 7.11 1.01 -0.19 -0.36 120.40 131.00 3m85 s VAL 65 Ca 0.32 1.21 0.19 0.00 0.00 0.00 0.00 61.98 63.69 3m85 s VAL 65 Cb -0.13 -4.10 -0.26 0.00 0.00 0.00 0.00 36.38 31.90 3m85 s VAL 65 CO 0.24 -0.17 0.57 0.52 0.00 0.00 0.00 175.10 176.26 3m85 n VAL 66 N 5.43 0.00 -3.64 2.92 0.31 0.03 -1.03 118.33 122.36 3m85 n VAL 66 Ca 0.03 -0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 63.98 3m85 n VAL 66 Cb 0.48 0.46 -0.07 0.00 -0.91 0.00 0.00 33.84 33.80 3m85 n VAL 66 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3m85 s ASP 67 N -3.59 -0.72 -0.09 4.52 3.68 -0.95 -4.93 116.67 114.59 3m85 s ASP 67 Ca -0.01 1.30 -0.01 0.00 2.13 0.00 0.00 52.55 55.95 3m85 s ASP 67 Cb 0.13 1.31 -0.03 0.00 -1.45 0.00 0.00 42.92 42.88 3m85 s ASP 67 CO 0.78 -0.22 -0.03 -0.76 0.13 0.00 0.00 175.17 175.07 3m85 s LEU 68 N 0.74 3.40 0.00 -1.34 1.43 -1.26 -0.09 118.68 121.55 3m85 s LEU 68 Ca -0.03 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3m85 s LEU 68 Cb -0.05 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3m85 s LEU 68 CO -0.07 0.34 0.00 0.54 0.23 0.00 0.00 176.35 177.40 3m85 n ARG 69 N 2.36 3.24 -0.09 1.70 5.12 -0.75 -4.99 116.66 123.24 3m85 n ARG 69 Ca -0.18 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.57 3m85 n ARG 69 Cb 0.53 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.76 3m85 n ARG 69 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3m85 n ASN 70 N 0.00 1.68 0.04 0.55 4.13 -1.26 -4.70 115.26 115.70 3m85 n ASN 70 Ca 0.00 0.13 0.12 0.00 1.68 0.00 0.00 54.58 56.51 3m85 n ASN 70 Cb 0.00 -0.45 0.14 0.00 -1.54 0.00 0.00 39.78 37.93 3m85 n ASN 70 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3m85 n SER 71 N -3.56 0.64 -4.01 6.41 3.41 -1.26 -4.43 113.62 110.81 3m85 n SER 71 Ca -0.34 -0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.13 3m85 n SER 71 Cb 0.77 0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.97 3m85 n SER 71 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3m85 s ILE 72 N -3.14 0.20 -0.15 -1.33 1.09 -1.26 -2.32 121.20 114.29 3m85 s ILE 72 Ca 0.06 -1.11 0.01 0.00 -1.10 0.00 0.00 60.65 58.51 3m85 s ILE 72 Cb 0.14 -0.55 0.02 0.00 -1.06 0.00 0.00 42.46 41.01 3m85 s ILE 72 CO 0.74 -0.58 -0.16 0.00 -0.10 0.00 0.00 174.94 174.85 3m85 s ALA 73 N -1.92 1.93 -0.33 9.38 0.00 0.21 -1.81 121.76 129.23 3m85 s ALA 73 Ca -0.11 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 3m85 s ALA 73 Cb -0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 3m85 s ALA 73 CO -0.02 -0.31 0.58 -0.51 0.00 0.00 0.00 175.76 175.50 3m85 s LEU 74 N 1.35 4.22 -0.19 0.00 1.43 0.87 -0.52 118.68 125.83 3m85 s LEU 74 Ca 0.03 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3m85 s LEU 74 Cb -0.13 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 3m85 s LEU 74 CO -0.09 -0.49 -0.08 -0.63 0.23 0.00 0.00 176.35 175.29 3m85 s ILE 75 N 2.54 3.14 -0.78 -0.59 1.01 -1.00 -0.79 121.20 124.73 3m85 s ILE 75 Ca 0.23 -0.59 -0.26 0.00 0.00 0.00 0.00 60.65 60.03 3m85 s ILE 75 Cb -0.15 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.94 3m85 s ILE 75 CO 0.13 0.46 1.51 -1.83 0.00 0.00 0.00 174.94 175.21 3m85 s GLU 76 N 1.20 3.07 0.51 2.79 -1.05 0.51 -1.66 118.70 124.07 3m85 s GLU 76 Ca 0.02 -0.20 -0.20 0.00 -0.15 0.00 0.00 54.97 54.43 3m85 s GLU 76 Cb -0.14 -4.53 -0.07 0.00 -0.44 0.00 0.00 34.13 28.95 3m85 s GLU 76 CO -0.03 -2.41 1.10 0.08 0.95 0.00 0.00 175.26 174.95 3m85 s VAL 77 N 6.80 3.36 0.00 1.83 1.01 0.16 -2.84 120.40 130.72 3m85 s VAL 77 Ca 0.48 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.33 3m85 s VAL 77 Cb -0.08 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3m85 s VAL 77 CO 0.10 -0.16 0.00 -1.54 0.00 0.00 0.00 175.10 173.50 3m85 n SER 78 N -1.06 0.00 -3.84 3.32 3.41 -1.10 -3.35 113.62 111.00 3m85 n SER 78 Ca 0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.59 3m85 n SER 78 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.04 -0.06 -0.18 4.04 0.01 -1.22 -4.50 113.70 110.74 3m85 s SER 79 Ca 0.00 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.22 3m85 s SER 79 Cb 0.00 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 3m85 s SER 79 CO 0.00 -0.32 -0.08 -0.75 0.41 0.00 0.00 173.24 172.50 3m85 s LYS 80 N -1.04 3.38 0.18 12.44 2.20 -1.26 -2.23 119.74 133.40 3m85 s LYS 80 Ca -0.11 -0.65 -0.33 0.00 -0.36 0.00 0.00 55.97 54.52 3m85 s LYS 80 Cb -0.06 -2.85 -0.14 0.00 -1.51 0.00 0.00 37.83 33.27 3m85 s LYS 80 CO 0.02 -0.02 1.46 1.17 -0.36 0.00 0.00 175.35 177.61 3m85 n LYS 81 N 4.25 1.90 0.00 4.03 4.81 -0.35 -3.03 118.16 129.77 3m85 n LYS 81 Ca -0.18 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3m85 n LYS 81 Cb 0.52 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.19 3m85 n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m85 n GLY 82 N 2.79 3.53 3.51 3.14 0.00 -1.26 -4.84 105.19 112.06 3m85 n GLY 82 Ca 0.15 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 1.84 0.05 1.61 8.01 -1.17 -5.01 118.70 124.02 3m85 s GLU 83 Ca 0.00 -1.57 0.23 0.00 0.01 0.00 0.00 54.97 53.64 3m85 s GLU 83 Cb 0.00 -1.93 0.01 0.00 -4.31 0.00 0.00 34.13 27.90 3m85 s GLU 83 CO 0.00 0.37 0.99 0.09 0.01 0.00 0.00 175.26 176.71 3m85 n ASN 84 N -0.40 0.60 -4.75 -0.19 5.03 -1.26 -4.64 115.26 109.64 3m85 n ASN 84 Ca -0.08 -0.22 -0.41 0.00 0.87 0.00 0.00 54.58 54.74 3m85 n ASN 84 Cb 0.58 0.87 -0.02 0.00 -1.02 0.00 0.00 39.78 40.19 3m85 n ASN 84 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3m85 s ARG 85 N -3.21 4.28 0.35 3.52 6.06 -1.26 -4.96 118.95 123.72 3m85 s ARG 85 Ca 0.03 2.30 -0.29 0.00 -2.50 0.00 0.00 55.73 55.27 3m85 s ARG 85 Cb 0.14 -3.09 -0.11 0.00 0.06 0.00 0.00 34.95 31.96 3m85 s ARG 85 CO 0.81 -0.37 1.52 0.20 -2.50 0.00 0.00 175.30 174.96 3m85 s GLY 86 N 0.09 2.67 0.47 8.12 0.00 -1.26 -4.74 107.32 112.66 3m85 s GLY 86 Ca 0.56 1.57 -0.21 0.00 0.00 0.00 0.00 44.72 46.64 3m85 s GLY 86 CO 0.48 2.35 1.02 -4.14 0.00 0.00 0.00 173.10 172.81 3m85 s PRO 87 N -1.55 3.93 0.09 2.90 0.02 -1.26 -4.49 135.00 134.63 3m85 s PRO 87 Ca 0.56 1.32 -0.20 0.00 0.02 0.00 0.00 61.00 62.70 3m85 s PRO 87 Cb -0.47 -2.15 -0.09 0.00 0.02 0.00 0.00 34.50 31.82 3m85 s PRO 87 CO 0.58 -0.32 1.63 0.66 -0.33 0.00 0.00 177.00 179.22 3m85 h SER 88 N 1.71 0.27 -0.82 2.53 4.64 -1.68 -3.28 113.55 116.92 3m85 h SER 88 Ca -0.49 -0.17 -0.72 0.00 -0.47 0.00 0.00 61.79 59.93 3m85 h SER 88 Cb 1.21 -0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 63.15 3m85 h SER 88 CO 0.60 0.37 2.81 -0.46 -0.87 0.00 0.00 176.83 179.27 3m85 n ASN 89 N -4.83 7.90 -4.88 4.97 6.94 -1.26 -4.95 115.26 119.15 3m85 n ASN 89 Ca -0.04 -2.97 -0.32 0.00 -0.02 0.00 0.00 54.58 51.23 3m85 n ASN 89 Cb 0.13 -1.43 -0.05 0.00 -2.36 0.00 0.00 39.78 36.06 3m85 n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3m85 s ARG 90 N 0.00 3.74 0.00 -3.83 0.52 -1.24 -4.69 118.95 113.45 3m85 s ARG 90 Ca 0.57 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.93 3m85 s ARG 90 Cb 0.18 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.93 3m85 s ARG 90 CO -0.08 0.37 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3m85 n GLY 91 N -0.06 -0.24 3.40 -3.53 0.00 -1.21 -5.04 105.19 98.50 3m85 n GLY 91 Ca -0.01 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 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 -4.00 4.96 0.78 -0.61 -1.09 -1.26 0.36 121.20 120.34 3m85 s ILE 92 Ca 0.00 -0.86 -0.09 0.00 -2.23 0.00 0.00 60.65 57.47 3m85 s ILE 92 Cb 0.00 -4.33 0.10 0.00 -1.58 0.00 0.00 42.46 36.65 3m85 s ILE 92 CO 0.00 -0.87 1.10 -0.83 -1.23 0.00 0.00 174.94 173.11 3m85 s GLY 93 N 3.06 1.71 -0.03 6.18 0.00 -0.66 -4.79 107.32 112.78 3m85 s GLY 93 Ca 0.11 -1.07 0.05 0.00 0.00 0.00 0.00 44.72 43.80 3m85 s GLY 93 CO 0.08 -0.55 -0.17 -0.42 0.00 0.00 0.00 173.10 172.05 3m85 s ILE 94 N -3.42 1.39 -0.36 0.90 1.01 -0.09 -2.38 121.20 118.25 3m85 s ILE 94 Ca 0.64 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 3m85 s ILE 94 Cb -0.08 -1.19 0.10 0.00 0.01 0.00 0.00 42.46 41.29 3m85 s ILE 94 CO 0.47 0.40 0.11 -0.22 0.00 0.00 0.00 174.94 175.70 3m85 s LEU 95 N -0.10 4.80 0.07 2.97 1.98 0.32 -0.04 118.68 128.67 3m85 s LEU 95 Ca -0.00 -1.93 -0.25 0.00 -2.89 0.00 0.00 54.13 49.06 3m85 s LEU 95 Cb -0.10 -1.73 -0.06 0.00 0.66 0.00 0.00 46.19 44.96 3m85 s LEU 95 CO 0.01 -0.43 0.76 -2.28 -1.89 0.00 0.00 176.35 172.52 3m85 s HIS 96 N 1.08 3.77 0.34 5.38 5.65 -1.26 0.64 115.29 130.88 3m85 s HIS 96 Ca 0.06 1.49 0.14 0.00 0.25 0.00 0.00 55.06 57.01 3m85 s HIS 96 Cb -0.21 -2.80 1.08 0.00 -1.18 0.00 0.00 32.58 29.47 3m85 s HIS 96 CO -0.05 0.32 1.65 0.28 -0.65 0.00 0.00 174.74 176.30 3m85 h VAL 97 N 3.97 0.26 -0.61 0.89 2.07 -1.82 0.13 116.25 121.14 3m85 h VAL 97 Ca -0.45 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3m85 h VAL 97 Cb 1.21 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3m85 h VAL 97 CO 0.70 0.05 0.22 0.77 0.02 0.00 0.00 177.57 179.33 3m85 h SER 98 N 0.28 0.87 -0.53 0.57 4.64 -1.92 -3.30 113.55 114.16 3m85 h SER 98 Ca 0.73 -0.19 -0.65 0.00 -0.47 0.00 0.00 61.79 61.22 3m85 h SER 98 Cb 1.68 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.49 3m85 h SER 98 CO -0.63 0.82 2.34 0.59 -0.87 0.00 0.00 176.83 179.08 3m85 n ASN 99 N -4.42 4.28 0.00 4.97 3.02 0.45 -4.25 115.26 119.31 3m85 n ASN 99 Ca 0.04 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 3m85 n ASN 99 Cb 0.19 -1.68 0.00 0.00 -0.61 0.00 0.00 39.78 37.67 3m85 n ASN 99 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3m85 n VAL 100 N 6.18 0.00 -1.91 2.41 0.31 -1.24 -3.67 118.33 120.41 3m85 n VAL 100 Ca 0.49 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.78 3m85 n VAL 100 Cb 0.44 -0.08 -0.05 0.00 -0.91 0.00 0.00 33.84 33.24 3m85 n VAL 100 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3m85 n ASP 101 N -1.80 -0.68 -2.58 4.52 2.03 -1.26 -3.22 116.55 113.55 3m85 n ASP 101 Ca 0.00 -1.53 -0.13 0.00 0.52 0.00 0.00 54.79 53.65 3m85 n ASP 101 Cb 0.00 0.20 -0.00 0.00 -0.72 0.00 0.00 41.12 40.60 3m85 n ASP 101 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3m85 n GLU 102 N 0.00 -2.49 -3.48 -0.67 1.02 -1.26 -4.87 120.64 108.89 3m85 n GLU 102 Ca -0.19 0.54 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 3m85 n GLU 102 Cb 0.59 -5.15 -0.04 0.00 -0.02 0.00 0.00 31.44 26.82 3m85 n GLU 102 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3m85 s GLY 103 N -2.13 -0.56 0.35 0.62 0.00 -1.26 -5.15 107.32 99.18 3m85 s GLY 103 Ca 0.06 0.96 -0.25 0.00 0.00 0.00 0.00 44.72 45.50 3m85 s GLY 103 CO 0.07 0.53 0.69 -1.72 0.00 0.00 0.00 173.10 172.67 3m85 n TYR 104 N 0.18 0.06 -3.71 1.90 4.01 -1.26 -4.95 117.16 113.39 3m85 n TYR 104 Ca -0.16 0.69 -0.11 0.00 -0.16 0.00 0.00 57.90 58.15 3m85 n TYR 104 Cb 0.61 -2.07 -0.11 0.00 -0.31 0.00 0.00 39.34 37.46 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 -1.28 -0.03 -0.03 -0.72 1.01 -1.26 -5.05 120.40 113.04 3m85 s VAL 105 Ca 0.62 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 3m85 s VAL 105 Cb -0.68 -0.54 -0.16 0.00 0.00 0.00 0.00 36.38 35.00 3m85 s VAL 105 CO 0.58 0.04 1.00 0.11 0.00 0.00 0.00 175.10 176.84 3m85 h LYS 106 N 7.14 -0.25 -5.33 2.72 1.79 -1.97 -3.46 116.57 117.21 3m85 h LYS 106 Ca -0.38 0.02 -0.46 0.00 -2.18 0.00 0.00 60.65 57.64 3m85 h LYS 106 Cb 1.18 0.06 -0.27 0.00 -1.58 0.00 0.00 32.23 31.62 3m85 h LYS 106 CO 0.32 0.15 -0.80 -1.21 -1.08 0.00 0.00 179.45 176.83 3m85 s GLU 107 N -3.83 1.03 0.22 3.15 2.02 -1.26 -4.98 118.70 115.04 3m85 s GLU 107 Ca -0.13 -0.66 0.18 0.00 0.02 0.00 0.00 54.97 54.38 3m85 s GLU 107 Cb 0.01 -1.02 0.87 0.00 0.10 0.00 0.00 34.13 34.09 3m85 s GLU 107 CO 0.51 0.27 1.56 0.44 0.02 0.00 0.00 175.26 178.05 3m85 n ILE 108 N 2.24 1.11 -0.24 -1.63 -0.00 -1.26 -0.45 119.36 119.13 3m85 n ILE 108 Ca -0.16 0.48 0.11 0.00 -0.00 0.00 0.00 62.75 63.17 3m85 n ILE 108 Cb 0.55 -1.43 0.38 0.00 -0.00 0.00 0.00 39.64 39.14 3m85 n ILE 108 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3m85 h SER 109 N 0.00 0.64 0.47 7.28 0.02 -1.92 1.56 113.55 121.60 3m85 h SER 109 Ca 0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3m85 h SER 109 Cb 0.15 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3m85 h SER 109 CO 0.00 0.35 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.78 3m85 h GLU 110 N 0.70 0.00 0.00 3.45 4.57 -1.04 -3.32 114.58 118.94 3m85 h GLU 110 Ca 0.41 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.40 3m85 h GLU 110 Cb 0.60 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 3m85 h GLU 110 CO -0.17 0.19 -1.57 0.00 -1.18 0.00 0.00 179.01 176.28 3m85 n ALA 111 N -2.31 1.13 -2.54 2.92 0.00 0.44 -3.64 120.51 116.52 3m85 n ALA 111 Ca -0.01 -0.88 -0.25 0.00 0.00 0.00 0.00 53.44 52.29 3m85 n ALA 111 Cb 0.30 0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 3m85 n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3m85 s VAL 112 N -2.70 2.44 0.06 0.00 1.01 0.51 -1.06 120.40 120.67 3m85 s VAL 112 Ca -0.31 -2.03 -0.00 0.00 0.00 0.00 0.00 61.98 59.64 3m85 s VAL 112 Cb 0.08 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3m85 s VAL 112 CO 0.43 -0.17 -0.04 -0.83 0.00 0.00 0.00 175.10 174.48 3m85 s GLY 113 N -3.69 0.56 0.06 4.51 0.00 -1.26 -4.25 107.32 103.24 3m85 s GLY 113 Ca 0.34 -1.24 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 3m85 s GLY 113 CO 0.19 -1.34 1.78 -0.47 0.00 0.00 0.00 173.10 173.25 3m85 s TYR 114 N -3.76 2.00 -0.11 1.90 5.04 -1.26 -1.60 117.35 119.56 3m85 s TYR 114 Ca 0.08 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 3m85 s TYR 114 Cb 0.07 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.29 3m85 s TYR 114 CO -0.08 -4.55 0.00 1.28 -1.34 0.00 0.00 175.55 170.86 3m85 n LEU 115 N 6.34 -0.00 -4.80 6.97 4.77 -0.19 -4.83 117.00 125.25 3m85 n LEU 115 Ca 0.18 0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.85 3m85 n LEU 115 Cb 0.40 -0.76 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 3m85 n LEU 115 CO 0.65 -0.13 0.70 -1.81 -1.33 0.00 0.00 177.39 175.47 3m85 s ASP 116 N -2.40 6.41 -0.20 -1.43 1.11 -0.63 -4.70 116.67 114.83 3m85 s ASP 116 Ca 0.00 1.85 -0.07 0.00 0.18 0.00 0.00 52.55 54.51 3m85 s ASP 116 Cb 0.00 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 3m85 s ASP 116 CO 0.00 -0.73 0.07 -0.63 1.18 0.00 0.00 175.17 175.06 3m85 s ILE 117 N -2.10 4.67 0.31 0.77 1.09 -0.25 -1.02 121.20 124.66 3m85 s ILE 117 Ca 0.65 -0.07 0.09 0.00 -1.10 0.00 0.00 60.65 60.23 3m85 s ILE 117 Cb -0.15 -3.13 -0.05 0.00 -1.06 0.00 0.00 42.46 38.08 3m85 s ILE 117 CO 0.21 0.42 0.01 -0.76 -0.10 0.00 0.00 174.94 174.72 3m85 s LEU 118 N 0.75 3.07 -0.32 2.97 1.02 0.55 0.16 118.68 126.87 3m85 s LEU 118 Ca 0.04 -0.83 -0.02 0.00 0.02 0.00 0.00 54.13 53.34 3m85 s LEU 118 Cb -0.13 -1.53 0.11 0.00 0.02 0.00 0.00 46.19 44.66 3m85 s LEU 118 CO 0.02 -0.13 0.15 -0.75 0.02 0.00 0.00 176.35 175.66 3m85 s LYS 119 N -3.70 0.42 0.44 1.70 2.20 0.22 -1.15 119.74 119.87 3m85 s LYS 119 Ca 0.33 -0.91 0.07 0.00 -0.36 0.00 0.00 55.97 55.10 3m85 s LYS 119 Cb -0.03 -1.37 -0.02 0.00 -1.51 0.00 0.00 37.83 34.89 3m85 s LYS 119 CO 0.20 -1.08 0.28 0.00 -0.36 0.00 0.00 175.35 174.39 3m85 s ALA 120 N 1.65 3.92 -0.08 3.13 0.00 0.15 -1.70 121.76 128.82 3m85 s ALA 120 Ca 0.12 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.31 3m85 s ALA 120 Cb -0.19 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3m85 s ALA 120 CO -0.22 -0.24 -0.23 0.50 0.00 0.00 0.00 175.76 175.57 3m85 s ARG 121 N -4.05 2.87 -0.05 0.00 3.52 -0.72 -0.40 118.95 120.12 3m85 s ARG 121 Ca 0.41 -0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 54.85 3m85 s ARG 121 Cb 0.00 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 3m85 s ARG 121 CO 0.23 0.28 1.27 0.08 -0.81 0.00 0.00 175.30 176.35 3m85 s VAL 122 N 0.11 4.09 -0.15 7.11 1.01 -0.60 -0.78 120.40 131.18 3m85 s VAL 122 Ca -0.11 1.43 0.17 0.00 0.00 0.00 0.00 61.98 63.47 3m85 s VAL 122 Cb -0.16 -3.92 -0.25 0.00 0.00 0.00 0.00 36.38 32.06 3m85 s VAL 122 CO 0.06 -0.01 0.27 -0.38 0.00 0.00 0.00 175.10 175.04 3m85 n ILE 123 N 4.68 1.27 -3.83 2.22 2.08 0.53 -2.20 119.36 124.12 3m85 n ILE 123 Ca 0.12 -0.80 -0.06 0.00 0.56 0.00 0.00 62.75 62.56 3m85 n ILE 123 Cb 0.45 -0.53 -0.00 0.00 -0.75 0.00 0.00 39.64 38.81 3m85 n ILE 123 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3m85 s GLY 124 N -5.27 0.04 1.28 7.39 0.00 -1.03 -4.92 107.32 104.81 3m85 s GLY 124 Ca -0.08 -0.36 -0.20 0.00 0.00 0.00 0.00 44.72 44.07 3m85 s GLY 124 CO 0.84 0.10 1.05 0.51 0.00 0.00 0.00 173.10 175.60 3m85 s ASP 125 N -3.01 0.23 -1.71 1.64 1.47 -1.26 -0.38 116.67 113.64 3m85 s ASP 125 Ca 0.14 0.70 0.00 0.00 1.18 0.00 0.00 52.55 54.57 3m85 s ASP 125 Cb -0.05 -0.98 0.00 0.00 -0.34 0.00 0.00 42.92 41.55 3m85 s ASP 125 CO 0.07 -4.56 0.00 0.59 0.68 0.00 0.00 175.17 171.96 3m85 n ASN 126 N -5.06 -4.49 -3.04 2.11 3.02 -1.26 -2.67 115.26 103.87 3m85 n ASN 126 Ca 0.13 0.36 -0.16 0.00 -0.03 0.00 0.00 54.58 54.88 3m85 n ASN 126 Cb 0.60 -4.01 0.07 0.00 -0.61 0.00 0.00 39.78 35.83 3m85 n ASN 126 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3m85 n LEU 127 N -2.24 -3.56 -4.61 3.41 4.77 -1.17 -4.23 117.00 109.37 3m85 n LEU 127 Ca -0.17 -0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 54.88 3m85 n LEU 127 Cb 0.57 -2.67 -0.03 0.00 -2.33 0.00 0.00 43.42 38.96 3m85 n LEU 127 CO 0.25 0.38 1.50 -0.60 -1.33 0.00 0.00 177.39 177.59 3m85 s ARG 128 N -5.39 3.48 0.22 3.23 3.52 0.48 -0.91 118.95 123.58 3m85 s ARG 128 Ca 0.13 1.54 -0.02 0.00 -0.13 0.00 0.00 55.73 57.25 3m85 s ARG 128 Cb -0.06 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.13 3m85 s ARG 128 CO 0.61 -1.69 0.43 -0.51 -0.81 0.00 0.00 175.30 173.33 3m85 s LEU 129 N 6.40 4.19 0.21 -0.88 1.43 0.94 0.20 118.68 131.17 3m85 s LEU 129 Ca 0.78 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 54.39 3m85 s LEU 129 Cb -0.24 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 3m85 s LEU 129 CO 0.33 -0.07 -0.04 -0.55 0.23 0.00 0.00 176.35 176.25 3m85 s SER 130 N -3.16 1.89 0.00 2.29 0.15 0.04 -4.50 113.70 110.41 3m85 s SER 130 Ca 0.40 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.89 3m85 s SER 130 Cb -0.11 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 3m85 s SER 130 CO 0.29 -0.44 0.40 0.35 1.20 0.00 0.00 173.24 175.03 3m85 n THR 131 N -0.37 0.00 0.06 6.45 -2.24 -1.24 -1.75 114.28 115.19 3m85 n THR 131 Ca -0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 3m85 n THR 131 Cb 0.63 0.41 0.63 0.00 -2.10 0.00 0.00 70.33 69.91 3m85 n THR 131 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3m85 h LYS 132 N 0.00 0.09 -7.21 -0.78 1.57 -1.79 -3.39 116.57 105.06 3m85 h LYS 132 Ca 0.00 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3m85 h LYS 132 Cb 1.06 -0.02 0.16 0.00 0.08 0.00 0.00 32.23 33.51 3m85 h LYS 132 CO 0.00 0.06 0.35 -1.21 -0.57 0.00 0.00 179.45 178.08 3m85 s GLU 133 N -5.11 1.94 0.25 3.15 2.02 -1.26 -4.68 118.70 115.01 3m85 s GLU 133 Ca -0.06 1.64 -0.01 0.00 0.02 0.00 0.00 54.97 56.56 3m85 s GLU 133 Cb 0.19 -1.82 0.30 0.00 0.10 0.00 0.00 34.13 32.89 3m85 s GLU 133 CO 0.72 -1.96 1.67 0.93 0.02 0.00 0.00 175.26 176.64 3m85 h GLU 134 N -0.70 0.61 -0.25 1.61 4.39 -1.96 -2.84 114.58 115.45 3m85 h GLU 134 Ca -0.46 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 58.93 3m85 h GLU 134 Cb 1.28 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3m85 h GLU 134 CO 0.48 0.81 -0.13 1.49 -1.16 0.00 0.00 179.01 180.50 3m85 h GLU 135 N 0.53 0.42 -7.49 2.33 4.81 -1.92 -2.90 114.58 110.36 3m85 h GLU 135 Ca 0.07 -0.12 -0.46 0.00 -0.13 0.00 0.00 59.36 58.72 3m85 h GLU 135 Cb 0.72 -0.05 0.09 0.00 0.63 0.00 0.00 28.75 30.14 3m85 h GLU 135 CO 0.06 0.55 0.33 -1.64 -0.73 0.00 0.00 179.01 177.58 3m85 s MET 136 N -4.72 2.01 0.00 1.92 -1.94 -1.07 -4.24 119.30 111.25 3m85 s MET 136 Ca -0.07 -0.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 3m85 s MET 136 Cb 0.15 -2.04 0.00 0.00 2.01 0.00 0.00 34.83 34.95 3m85 s MET 136 CO 0.76 -1.48 0.00 0.41 -0.01 0.00 0.00 175.02 174.71 3m85 n GLY 137 N -3.16 0.54 3.77 -0.03 0.00 -0.69 -3.57 105.19 102.05 3m85 n GLY 137 Ca 0.08 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.50 3.39 -0.00 1.61 1.01 0.58 -0.61 120.40 125.87 3m85 s VAL 138 Ca 0.00 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.15 3m85 s VAL 138 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3m85 s VAL 138 CO 0.00 0.10 0.03 0.18 0.00 0.00 0.00 175.10 175.40 3m85 n LEU 139 N 0.16 0.00 -3.56 3.92 4.77 0.41 -1.23 117.00 121.48 3m85 n LEU 139 Ca 0.04 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3m85 n LEU 139 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3m85 n LEU 139 CO 0.49 0.00 0.33 -0.60 -1.33 0.00 0.00 177.39 176.28 3m85 s ARG 140 N -2.09 0.52 0.01 3.23 3.00 -1.21 -2.77 118.95 119.64 3m85 s ARG 140 Ca -0.00 1.27 0.07 0.00 -1.00 0.00 0.00 55.73 56.07 3m85 s ARG 140 Cb 0.01 0.76 -0.02 0.00 0.00 0.00 0.00 34.95 35.70 3m85 s ARG 140 CO 0.06 -0.21 -0.22 0.00 0.00 0.00 0.00 175.30 174.93 3m85 s ALA 141 N 2.81 1.82 0.02 6.12 0.00 -1.26 -1.10 121.76 130.17 3m85 s ALA 141 Ca -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 3m85 s ALA 141 Cb -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3m85 s ALA 141 CO -0.19 0.43 0.19 -0.51 0.00 0.00 0.00 175.76 175.69 3m85 s LEU 142 N -0.78 4.36 0.31 0.00 1.43 -1.26 -1.34 118.68 121.39 3m85 s LEU 142 Ca 0.08 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 3m85 s LEU 142 Cb -0.09 -2.74 -0.11 0.00 0.03 0.00 0.00 46.19 43.29 3m85 s LEU 142 CO 0.00 0.23 1.48 0.00 0.23 0.00 0.00 176.35 178.29 3m85 h SER 144 N 4.14 0.63 -3.92 0.00 0.02 -1.97 -2.90 113.55 109.55 3m85 h SER 144 Ca -0.48 0.05 -0.68 0.00 -0.84 0.00 0.00 61.79 59.84 3m85 h SER 144 Cb 1.23 -0.06 -0.21 0.00 0.14 0.00 0.00 62.40 63.49 3m85 h SER 144 CO 0.72 0.35 -0.77 0.21 -1.14 0.00 0.00 176.83 176.20 3m85 s ASN 145 N -5.57 4.05 0.00 3.07 3.84 -1.26 -4.68 114.94 114.38 3m85 s ASN 145 Ca -0.12 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 52.66 3m85 s ASN 145 Cb 0.19 -0.79 0.00 0.00 -0.55 0.00 0.00 41.25 40.10 3m85 s ASN 145 CO 0.78 0.29 0.00 0.00 -2.79 0.00 0.00 177.10 175.38 3m85 n LYS 147 N 0.00 -1.06 -3.56 0.00 4.76 -1.10 -4.97 118.16 112.23 3m85 n LYS 147 Ca 0.00 0.66 -0.33 0.00 -2.87 0.00 0.00 58.31 55.77 3m85 n LYS 147 Cb 0.00 -4.89 -0.05 0.00 -1.84 0.00 0.00 35.03 28.24 3m85 n LYS 147 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3m85 s THR 148 N -2.66 5.07 -0.09 -0.18 -4.23 -1.26 -4.60 115.64 107.69 3m85 s THR 148 Ca 0.00 0.34 -0.37 0.00 -1.18 0.00 0.00 61.69 60.48 3m85 s THR 148 Cb 0.00 -3.64 -0.15 0.00 1.34 0.00 0.00 72.50 70.05 3m85 s THR 148 CO 0.00 0.14 1.66 1.21 -0.54 0.00 0.00 174.62 177.09 3m85 n GLU 149 N 0.44 1.51 -3.28 3.99 2.13 -1.26 -2.11 120.64 122.06 3m85 n GLU 149 Ca -0.04 0.55 -0.37 0.00 0.66 0.00 0.00 57.16 57.96 3m85 n GLU 149 Cb 0.52 -2.27 -0.06 0.00 0.27 0.00 0.00 31.44 29.90 3m85 n GLU 149 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3m85 s MET 150 N 2.61 4.12 -0.11 5.31 -1.94 -0.45 -4.68 119.30 124.16 3m85 s MET 150 Ca 0.91 0.66 -0.10 0.00 -1.71 0.00 0.00 55.69 55.45 3m85 s MET 150 Cb -0.91 -3.06 -0.05 0.00 2.01 0.00 0.00 34.83 32.83 3m85 s MET 150 CO 0.55 0.53 0.21 0.08 -0.01 0.00 0.00 175.02 176.38 3m85 s VAL 151 N -1.32 5.38 0.52 -6.03 1.01 -1.01 -4.69 120.40 114.26 3m85 s VAL 151 Ca 0.35 0.37 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 3m85 s VAL 151 Cb -0.17 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 3m85 s VAL 151 CO 0.19 0.56 1.26 -0.60 0.00 0.00 0.00 175.10 176.52 3m85 s ARG 152 N -0.68 3.37 -0.39 2.72 3.52 -1.26 -2.81 118.95 123.42 3m85 s ARG 152 Ca 0.16 2.00 0.02 0.00 -0.13 0.00 0.00 55.73 57.78 3m85 s ARG 152 Cb -0.13 -2.28 0.16 0.00 -1.56 0.00 0.00 34.95 31.14 3m85 s ARG 152 CO 0.05 -0.94 0.32 -1.21 -0.81 0.00 0.00 175.30 172.71 3m85 s GLU 153 N -2.88 0.72 4.51 5.12 0.41 0.96 -4.93 118.70 122.61 3m85 s GLU 153 Ca 0.69 -1.50 0.00 0.00 -0.41 0.00 0.00 54.97 53.75 3m85 s GLU 153 Cb -0.34 -1.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.85 3m85 s GLU 153 CO 0.41 -1.28 0.00 0.41 -0.49 0.00 0.00 175.26 174.31 3m85 n GLY 154 N 3.59 0.69 1.07 -1.39 0.00 -1.26 -2.11 105.19 105.78 3m85 n GLY 154 Ca 0.19 0.52 0.08 0.00 0.00 0.00 0.00 46.02 46.81 3m85 n GLY 154 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m85 n ASP 155 N 8.91 4.20 -3.86 1.61 9.92 -1.26 -5.00 116.55 131.07 3m85 n ASP 155 Ca 0.00 -2.98 -0.09 0.00 -0.53 0.00 0.00 54.79 51.18 3m85 n ASP 155 Cb 0.00 -0.56 -0.07 0.00 -0.64 0.00 0.00 41.12 39.85 3m85 n ASP 155 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3m85 s ILE 156 N -2.78 0.10 -0.07 0.53 2.07 -0.90 -4.87 121.20 115.28 3m85 s ILE 156 Ca 0.44 -1.15 0.05 0.00 -1.41 0.00 0.00 60.65 58.58 3m85 s ILE 156 Cb 0.35 -1.48 -0.01 0.00 0.13 0.00 0.00 42.46 41.45 3m85 s ILE 156 CO 0.10 -0.48 -0.23 -0.76 -1.91 0.00 0.00 174.94 171.67 3m85 s LEU 157 N -2.89 2.20 -0.00 8.50 1.43 -0.67 -0.03 118.68 127.22 3m85 s LEU 157 Ca 0.09 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3m85 s LEU 157 Cb 0.04 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.84 3m85 s LEU 157 CO -0.07 0.23 -0.00 -1.59 0.23 0.00 0.00 176.35 175.15 3m85 s LYS 158 N -0.08 0.02 0.28 1.70 -2.85 -1.12 0.91 119.74 118.60 3m85 s LYS 158 Ca -0.06 -0.00 -0.19 0.00 -1.00 0.00 0.00 55.97 54.72 3m85 s LYS 158 Cb -0.14 -0.03 -0.09 0.00 -2.06 0.00 0.00 37.83 35.50 3m85 s LYS 158 CO 0.04 -0.00 0.77 0.00 0.10 0.00 0.00 175.35 176.26 3m85 h PRO 160 N 2.90 -0.31 -0.34 0.00 0.11 -1.92 -0.14 132.00 132.29 3m85 h PRO 160 Ca -0.48 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.73 3m85 h PRO 160 Cb 1.19 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 3m85 h PRO 160 CO 0.65 0.05 -0.30 1.49 -0.21 0.00 0.00 178.00 179.68 3m85 h GLU 161 N -0.80 -0.25 0.00 1.05 4.57 -1.94 -3.33 114.58 113.87 3m85 h GLU 161 Ca -0.03 0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 57.91 3m85 h GLU 161 Cb 0.51 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 3m85 h GLU 161 CO 0.05 -0.17 -1.49 0.00 -1.18 0.00 0.00 179.01 176.22 3m85 n GLY 163 N 1.41 1.54 3.50 0.00 0.00 -0.07 -5.04 105.19 106.54 3m85 n GLY 163 Ca -0.35 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.19 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 0.63 -4.51 1.61 0.63 -1.26 -4.49 116.66 109.26 3m85 n ARG 164 Ca 0.00 0.22 -0.32 0.00 -0.92 0.00 0.00 57.85 56.83 3m85 n ARG 164 Cb 0.00 -1.49 -0.11 0.00 0.45 0.00 0.00 32.46 31.31 3m85 n ARG 164 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3m85 s VAL 165 N -0.70 3.58 0.17 5.15 -7.23 -1.26 -2.39 120.40 117.71 3m85 s VAL 165 Ca 0.68 -0.76 0.08 0.00 -1.81 0.00 0.00 61.98 60.18 3m85 s VAL 165 Cb -0.89 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 3m85 s VAL 165 CO 0.56 0.43 -0.17 -1.61 -0.31 0.00 0.00 175.10 174.00 3m85 s GLU 166 N -1.31 1.25 -0.12 4.82 2.02 0.26 -4.97 118.70 120.65 3m85 s GLU 166 Ca 0.16 -1.41 0.03 0.00 0.02 0.00 0.00 54.97 53.77 3m85 s GLU 166 Cb -0.11 -1.25 0.01 0.00 0.10 0.00 0.00 34.13 32.88 3m85 s GLU 166 CO 0.06 0.25 -0.22 -1.59 0.02 0.00 0.00 175.26 173.78 3m85 s LYS 167 N -2.89 2.91 0.17 1.61 -2.85 -1.26 -1.67 119.74 115.76 3m85 s LYS 167 Ca 0.16 -0.82 -0.03 0.00 -1.00 0.00 0.00 55.97 54.28 3m85 s LYS 167 Cb -0.05 -2.30 -0.03 0.00 -2.06 0.00 0.00 37.83 33.38 3m85 s LYS 167 CO 0.06 0.05 0.14 1.03 0.10 0.00 0.00 175.35 176.73 3m85 s ARG 168 N 0.66 1.12 -0.62 1.78 0.52 -1.24 -4.41 118.95 116.76 3m85 s ARG 168 Ca -0.11 -1.49 -0.27 0.00 -0.52 0.00 0.00 55.73 53.33 3m85 s ARG 168 Cb -0.16 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.59 3m85 s ARG 168 CO 0.02 -0.36 1.58 0.21 0.02 0.00 0.00 175.30 176.77 3m85 s LYS 169 N -4.09 3.00 -0.12 3.54 2.47 -0.22 -4.92 119.74 119.39 3m85 s LYS 169 Ca 0.30 0.39 -0.19 0.00 -1.56 0.00 0.00 55.97 54.92 3m85 s LYS 169 Cb 0.06 -4.25 -0.04 0.00 -1.46 0.00 0.00 37.83 32.14 3m85 s LYS 169 CO 0.07 -2.32 0.51 0.42 0.16 0.00 0.00 175.35 174.19 3m85 s ILE 170 N 7.26 5.17 0.20 5.43 1.01 -1.26 -0.31 121.20 138.70 3m85 s ILE 170 Ca 0.55 1.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 3m85 s ILE 170 Cb -0.11 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 3m85 s ILE 170 CO 0.21 0.30 1.10 -0.55 0.00 0.00 0.00 174.94 176.01 3m85 s SER 171 N 0.69 7.27 0.00 3.58 0.15 -0.36 -4.74 113.70 120.28 3m85 s SER 171 Ca 0.27 2.13 0.00 0.00 0.70 0.00 0.00 55.95 59.05 3m85 s SER 171 Cb -0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 3m85 s SER 171 CO 0.11 -0.20 0.92 0.35 1.20 0.00 0.00 173.24 175.62 3m85 n THR 172 N 2.12 1.71 0.34 6.45 -2.24 -1.10 -0.27 114.28 121.29 3m85 n THR 172 Ca 0.02 0.44 0.10 0.00 -2.27 0.00 0.00 64.05 62.34 3m85 n THR 172 Cb 0.46 -1.44 0.17 0.00 -2.10 0.00 0.00 70.33 67.41 3m85 n THR 172 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3m85 n ASP 173 N -1.42 3.14 -4.65 3.42 10.43 -1.26 -4.93 116.55 121.27 3m85 n ASP 173 Ca 0.00 -1.92 -0.49 0.00 2.57 0.00 0.00 54.79 54.96 3m85 n ASP 173 Cb 0.02 -0.18 -0.05 0.00 1.84 0.00 0.00 41.12 42.74 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 1.24 2.03 0.00 1.24 9.36 0.63 -1.15 117.16 130.51 3m85 n TYR 174 Ca 0.16 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.75 3m85 n TYR 174 Cb 0.54 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 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 3.27 2.90 0.32 2.98 0.00 -1.11 -4.83 105.19 108.71 3m85 n GLY 175 Ca 0.18 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.42 3m85 n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m85 h LYS 176 N 0.85 0.00 0.00 1.61 1.57 -1.46 -3.45 116.57 115.69 3m85 h LYS 176 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m85 h LYS 176 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3m85 h LYS 176 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3m85 n GLY 177 N -0.90 2.73 4.03 3.86 0.00 -1.26 -5.00 105.19 108.65 3m85 n GLY 177 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.24 0.00 1.61 2.02 -1.26 -5.18 118.70 118.13 3m85 s GLU 178 Ca 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.46 3m85 s GLU 178 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.62 3m85 s GLU 178 CO 0.00 -0.91 0.00 -2.67 0.02 0.00 0.00 175.26 171.70