#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s ARG 2 N 0.00 2.18 0.14 1.61 0.52 -0.08 -5.06 118.95 118.27 3g4s s ARG 2 Ca 0.00 -1.50 -0.31 0.00 -0.52 0.00 0.00 55.73 53.40 3g4s s ARG 2 Cb 0.00 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 3g4s s ARG 2 CO 0.00 0.34 1.47 1.03 0.02 0.00 0.00 175.30 178.15 3g4s s ARG 3 N -3.66 4.27 0.96 3.54 1.81 -1.26 -4.77 118.95 119.85 3g4s s ARG 3 Ca 0.32 2.21 -0.12 0.00 -1.72 0.00 0.00 55.73 56.41 3g4s s ARG 3 Cb -0.06 -3.20 0.17 0.00 -0.45 0.00 0.00 34.95 31.41 3g4s s ARG 3 CO 0.19 -0.50 1.11 0.96 -0.68 0.00 0.00 175.30 176.38 3g4s s ILE 4 N 1.04 2.03 0.23 1.52 -4.36 -1.26 -4.83 121.20 115.58 3g4s s ILE 4 Ca 0.66 0.01 -0.06 0.00 -0.26 0.00 0.00 60.65 61.01 3g4s s ILE 4 Cb -0.40 -2.62 0.20 0.00 1.25 0.00 0.00 42.46 40.89 3g4s s ILE 4 CO 0.31 -0.01 1.74 -0.61 0.24 0.00 0.00 174.94 176.61 3g4s h GLN 5 N -1.73 0.43 0.00 0.37 4.15 -1.95 -1.22 115.11 115.17 3g4s h GLN 5 Ca -0.53 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.87 3g4s h GLN 5 Cb 1.33 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.92 3g4s h GLN 5 CO 0.60 0.29 0.00 0.41 -1.93 0.00 0.00 178.83 178.19 3g4s n GLY 6 N -1.32 -1.03 0.11 2.39 0.00 -1.26 -1.65 105.19 102.44 3g4s n GLY 6 Ca 0.12 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 3g4s n GLY 6 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g4s h GLN 7 N 0.00 0.17 0.00 1.61 4.20 -1.57 -3.30 115.11 116.22 3g4s h GLN 7 Ca 0.00 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 3g4s h GLN 7 Cb 0.18 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3g4s h GLN 7 CO 0.00 0.95 -0.15 0.00 -0.67 0.00 0.00 178.83 178.96 3g4s h ARG 8 N 0.05 0.00 0.75 1.46 -0.00 -1.07 -3.27 114.38 112.30 3g4s h ARG 8 Ca -0.34 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.11 3g4s h ARG 8 Cb 2.02 0.00 0.01 0.00 0.00 0.00 0.00 29.97 32.00 3g4s h ARG 8 CO 0.10 0.15 -0.37 0.00 0.00 0.00 0.00 179.97 179.85 3g4s h ARG 9 N 0.00 -0.99 0.00 0.04 3.08 -1.47 -3.14 114.38 111.90 3g4s h ARG 9 Ca -0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3g4s h ARG 9 Cb 0.65 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3g4s h ARG 9 CO 0.02 -0.66 0.27 0.78 -1.07 0.00 0.00 179.97 179.31 3g4s h GLY 10 N -1.02 0.00 1.62 0.04 0.00 -1.68 -0.99 103.07 101.05 3g4s h GLY 10 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 3g4s h GLY 10 CO 0.16 0.00 -0.00 3.21 0.00 0.00 0.00 176.54 179.91 3g4s h ARG 11 N 0.00 0.47 -2.11 4.80 3.08 -1.70 -3.47 114.38 115.46 3g4s h ARG 11 Ca 0.00 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3g4s h ARG 11 Cb 0.54 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.53 3g4s h ARG 11 CO 0.00 0.51 -0.06 0.41 -1.07 0.00 0.00 179.97 179.76 3g4s n GLY 12 N -0.92 0.46 3.94 0.04 0.00 -0.37 -5.08 105.19 103.26 3g4s n GLY 12 Ca 0.01 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 3g4s n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g4s s THR 13 N -3.03 3.42 0.27 2.61 -4.23 -1.26 -4.87 115.64 108.55 3g4s s THR 13 Ca 0.01 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 3g4s s THR 13 Cb -0.00 -3.32 0.32 0.00 1.34 0.00 0.00 72.50 70.83 3g4s s THR 13 CO 0.05 -0.28 1.62 -1.28 -0.54 0.00 0.00 174.62 174.20 3g4s h SER 14 N 0.02 -0.34 -0.88 3.99 0.87 -1.98 -1.03 113.55 114.20 3g4s h SER 14 Ca -0.45 0.22 0.12 0.00 -1.23 0.00 0.00 61.79 60.44 3g4s h SER 14 Cb 1.27 0.37 -0.07 0.00 -0.44 0.00 0.00 62.40 63.54 3g4s h SER 14 CO 0.58 -0.22 0.57 0.74 -0.53 0.00 0.00 176.83 177.97 3g4s h THR 15 N 0.10 0.91 0.00 2.23 2.02 -2.00 -2.60 112.91 113.56 3g4s h THR 15 Ca 0.48 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3g4s h THR 15 Cb 0.90 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3g4s h THR 15 CO -0.73 0.15 -1.03 0.49 0.37 0.00 0.00 175.52 174.77 3g4s n PHE 16 N -4.54 0.03 -2.14 3.16 3.01 -0.46 -4.39 117.46 112.13 3g4s n PHE 16 Ca 0.16 0.01 -0.27 0.00 1.01 0.00 0.00 57.45 58.36 3g4s n PHE 16 Cb 0.37 -0.13 0.07 0.00 -0.01 0.00 0.00 39.48 39.79 3g4s n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3g4s s ARG 17 N -3.07 2.22 -0.11 -1.08 0.52 -0.80 -4.45 118.95 112.17 3g4s s ARG 17 Ca 0.06 -0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 3g4s s ARG 17 Cb 0.16 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 3g4s s ARG 17 CO 0.84 -1.27 0.26 0.00 0.02 0.00 0.00 175.30 175.15 3g4s s ALA 18 N -3.31 3.71 -0.81 2.13 0.00 -1.26 -4.45 121.76 117.77 3g4s s ALA 18 Ca 0.60 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 3g4s s ALA 18 Cb -0.11 -2.25 -0.13 0.00 0.00 0.00 0.00 23.12 20.63 3g4s s ALA 18 CO 0.46 0.35 1.96 -0.35 0.00 0.00 0.00 175.76 178.19 3g4s n PRO 19 N 2.65 1.64 -0.31 0.00 -0.04 -1.26 -4.71 135.00 132.97 3g4s n PRO 19 Ca -0.15 -1.79 0.19 0.00 -0.04 0.00 0.00 63.50 61.71 3g4s n PRO 19 Cb 0.53 -2.84 0.45 0.00 -0.04 0.00 0.00 33.50 31.60 3g4s n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3g4s h SER 20 N 7.55 0.54 0.38 3.54 0.02 -1.97 -0.45 113.55 123.17 3g4s h SER 20 Ca 0.44 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 3g4s h SER 20 Cb 0.57 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3g4s h SER 20 CO 1.87 0.15 -0.03 1.12 -1.14 0.00 0.00 176.83 178.80 3g4s h HIS 21 N 0.51 0.00 -0.09 3.45 2.07 -2.04 -1.01 115.15 118.04 3g4s h HIS 21 Ca 0.57 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 3g4s h HIS 21 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 3g4s h HIS 21 CO -0.00 0.03 0.00 0.54 -3.07 0.00 0.00 177.93 175.43 3g4s n ARG 22 N -3.28 2.12 -3.37 5.12 1.74 -0.18 -4.95 116.66 113.86 3g4s n ARG 22 Ca -0.02 -1.64 -0.32 0.00 -0.77 0.00 0.00 57.85 55.10 3g4s n ARG 22 Cb 0.18 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 3g4s n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3g4s s TYR 23 N -1.91 3.42 0.00 -1.55 4.12 -0.38 -4.86 117.35 116.19 3g4s s TYR 23 Ca 0.33 0.91 0.00 0.00 0.02 0.00 0.00 57.07 58.33 3g4s s TYR 23 Cb 0.20 -2.29 0.00 0.00 -1.52 0.00 0.00 41.96 38.35 3g4s s TYR 23 CO 0.31 0.24 0.14 1.63 0.02 0.00 0.00 175.55 177.88 3g4s n LYS 24 N -0.22 0.00 -3.87 -0.62 5.02 -1.26 -5.05 118.16 112.15 3g4s n LYS 24 Ca 0.01 0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 56.40 3g4s n LYS 24 Cb 0.53 -0.79 -0.08 0.00 -0.02 0.00 0.00 35.03 34.67 3g4s n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g4s s ALA 25 N -3.37 -0.21 -1.04 7.82 0.00 -1.26 -5.08 121.76 118.62 3g4s s ALA 25 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 3g4s s ALA 25 Cb 0.00 0.40 0.18 0.00 0.00 0.00 0.00 23.12 23.70 3g4s s ALA 25 CO 0.00 -0.45 1.18 0.34 0.00 0.00 0.00 175.76 176.83 3g4s s ASP 26 N -2.60 6.92 -0.47 0.00 3.68 -1.26 -4.99 116.67 117.95 3g4s s ASP 26 Ca 0.02 -2.74 -0.26 0.00 2.13 0.00 0.00 52.55 51.70 3g4s s ASP 26 Cb 0.03 -2.34 -0.06 0.00 -1.45 0.00 0.00 42.92 39.10 3g4s s ASP 26 CO -0.09 -0.75 2.30 -0.76 0.13 0.00 0.00 175.17 176.01 3g4s s LEU 27 N 1.27 3.40 0.00 -1.34 1.43 -1.26 -4.95 118.68 117.23 3g4s s LEU 27 Ca 0.34 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3g4s s LEU 27 Cb -0.06 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 3g4s s LEU 27 CO -0.06 -2.69 0.02 -0.62 0.23 0.00 0.00 176.35 173.23 3g4s n GLU 28 N 8.99 1.34 -4.09 1.70 1.02 -1.26 -4.84 120.64 123.50 3g4s n GLU 28 Ca 0.33 -1.32 -0.28 0.00 -0.02 0.00 0.00 57.16 55.87 3g4s n GLU 28 Cb 0.53 0.46 -0.06 0.00 -0.02 0.00 0.00 31.44 32.35 3g4s n GLU 28 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3g4s s HIS 29 N -1.79 3.11 0.35 -0.32 3.76 -1.25 -4.91 115.29 114.24 3g4s s HIS 29 Ca 0.02 -0.01 -0.25 0.00 -0.15 0.00 0.00 55.06 54.67 3g4s s HIS 29 Cb 0.00 -1.53 -0.10 0.00 1.11 0.00 0.00 32.58 32.07 3g4s s HIS 29 CO 0.02 0.52 0.98 0.50 -0.85 0.00 0.00 174.74 175.91 3g4s s ARG 30 N -2.82 4.43 -0.68 1.40 3.52 -1.26 -4.94 118.95 118.60 3g4s s ARG 30 Ca 0.30 1.39 -0.20 0.00 -0.13 0.00 0.00 55.73 57.09 3g4s s ARG 30 Cb -0.11 -2.68 0.10 0.00 -1.56 0.00 0.00 34.95 30.70 3g4s s ARG 30 CO 0.22 0.12 0.86 0.15 -0.81 0.00 0.00 175.30 175.84 3g4s s LYS 31 N -2.26 3.18 -0.00 5.12 1.02 -1.26 -4.96 119.74 120.59 3g4s s LYS 31 Ca 0.53 -1.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.16 3g4s s LYS 31 Cb -0.19 -4.37 -0.05 0.00 -0.52 0.00 0.00 37.83 32.70 3g4s s LYS 31 CO 0.25 -1.66 0.26 0.08 -0.92 0.00 0.00 175.35 173.36 3g4s s VAL 32 N 3.00 5.32 0.01 3.17 1.01 -1.26 -5.05 120.40 126.59 3g4s s VAL 32 Ca 0.18 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 3g4s s VAL 32 Cb -0.18 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 3g4s s VAL 32 CO 0.04 0.38 0.90 -0.33 0.00 0.00 0.00 175.10 176.09 3g4s h GLU 33 N 4.03 -0.41 0.00 2.72 3.07 -2.00 -3.48 114.58 118.51 3g4s h GLU 33 Ca -0.50 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3g4s h GLU 33 Cb 1.20 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3g4s h GLU 33 CO 0.66 -0.28 0.00 -3.47 -1.40 0.00 0.00 179.01 174.52 3g4s n ASP 34 N -3.49 0.00 0.00 1.42 -0.08 -1.26 -5.07 116.55 108.08 3g4s n ASP 34 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 3g4s n ASP 34 Cb 0.17 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.63 3g4s n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3g4s n GLY 35 N 0.00 0.48 2.41 0.27 0.00 -1.26 -4.93 105.19 102.15 3g4s n GLY 35 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3g4s n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g4s n ASP 36 N 0.00 -4.47 -0.41 1.61 2.03 -1.26 -4.74 116.55 109.31 3g4s n ASP 36 Ca 0.00 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.49 3g4s n ASP 36 Cb 0.00 -2.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.78 3g4s n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3g4s n VAL 37 N -2.59 0.00 -4.91 5.18 0.24 -1.26 -4.67 118.33 110.32 3g4s n VAL 37 Ca -0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.90 3g4s n VAL 37 Cb 0.34 -0.25 -0.14 0.00 -1.47 0.00 0.00 33.84 32.33 3g4s n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3g4s s ILE 38 N -1.19 2.95 0.12 1.34 -1.09 -1.26 -5.01 121.20 117.06 3g4s s ILE 38 Ca 0.00 -0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 57.53 3g4s s ILE 38 Cb 0.00 -2.16 0.02 0.00 -1.58 0.00 0.00 42.46 38.74 3g4s s ILE 38 CO 0.00 0.58 0.34 0.00 -1.23 0.00 0.00 174.94 174.63 3g4s s ALA 39 N -0.46 -0.68 -0.09 9.38 0.00 -1.26 -3.16 121.76 125.48 3g4s s ALA 39 Ca 0.06 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 3g4s s ALA 39 Cb -0.12 0.66 0.05 0.00 0.00 0.00 0.00 23.12 23.71 3g4s s ALA 39 CO 0.02 -0.62 0.53 0.20 0.00 0.00 0.00 175.76 175.89 3g4s s GLY 40 N -2.83 -0.40 -0.15 0.00 0.00 -0.76 -1.50 107.32 101.67 3g4s s GLY 40 Ca 0.05 1.12 -0.13 0.00 0.00 0.00 0.00 44.72 45.76 3g4s s GLY 40 CO -0.10 0.85 0.26 -1.59 0.00 0.00 0.00 173.10 172.52 3g4s s THR 41 N -0.73 5.32 -0.38 0.90 2.01 -0.69 -1.84 115.64 120.22 3g4s s THR 41 Ca -0.08 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.11 3g4s s THR 41 Cb -0.03 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.91 3g4s s THR 41 CO 0.05 0.43 1.13 -0.69 -0.69 0.00 0.00 174.62 174.85 3g4s s VAL 42 N 0.25 4.35 -0.09 3.82 1.01 -0.70 -2.25 120.40 126.77 3g4s s VAL 42 Ca 0.15 1.49 -0.02 0.00 0.00 0.00 0.00 61.98 63.61 3g4s s VAL 42 Cb -0.13 -4.46 -0.26 0.00 0.00 0.00 0.00 36.38 31.54 3g4s s VAL 42 CO 0.03 -0.68 0.47 0.58 0.00 0.00 0.00 175.10 175.50 3g4s h VAL 43 N 5.96 0.70 -3.92 2.92 2.07 -1.43 -1.56 116.25 120.98 3g4s h VAL 43 Ca -0.22 -2.45 -0.10 0.00 0.82 0.00 0.00 66.70 64.74 3g4s h VAL 43 Cb 1.06 2.50 -0.14 0.00 -1.52 0.00 0.00 31.29 33.20 3g4s h VAL 43 CO 1.07 0.79 -0.40 -0.62 0.02 0.00 0.00 177.57 178.43 3g4s s ASP 44 N -6.80 0.14 -0.28 0.57 2.15 -1.11 -4.84 116.67 106.49 3g4s s ASP 44 Ca -0.17 -0.80 0.01 0.00 0.43 0.00 0.00 52.55 52.01 3g4s s ASP 44 Cb 0.07 0.36 0.08 0.00 -0.30 0.00 0.00 42.92 43.13 3g4s s ASP 44 CO 0.79 -0.78 0.03 -0.63 -0.17 0.00 0.00 175.17 174.41 3g4s s ILE 45 N -3.92 1.38 0.50 4.11 -1.09 -1.26 -0.44 121.20 120.47 3g4s s ILE 45 Ca 0.11 -1.47 0.09 0.00 -2.23 0.00 0.00 60.65 57.14 3g4s s ILE 45 Cb 0.05 -1.88 0.04 0.00 -1.58 0.00 0.00 42.46 39.09 3g4s s ILE 45 CO -0.06 -0.42 0.64 -1.61 -1.23 0.00 0.00 174.94 172.26 3g4s s GLU 46 N 1.40 2.53 -0.14 2.79 2.02 0.58 -4.91 118.70 122.98 3g4s s GLU 46 Ca 0.04 -1.50 -0.06 0.00 0.02 0.00 0.00 54.97 53.47 3g4s s GLU 46 Cb -0.18 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 3g4s s GLU 46 CO -0.13 -0.55 0.09 -1.58 0.02 0.00 0.00 175.26 173.11 3g4s s HIS 47 N -2.53 3.40 -0.34 1.61 5.65 -1.26 -0.58 115.29 121.24 3g4s s HIS 47 Ca 0.56 0.32 -0.11 0.00 0.25 0.00 0.00 55.06 56.08 3g4s s HIS 47 Cb -0.07 -1.97 -0.00 0.00 -1.18 0.00 0.00 32.58 29.35 3g4s s HIS 47 CO 0.34 0.48 0.20 0.34 -0.65 0.00 0.00 174.74 175.45 3g4s s ASP 48 N -0.46 5.79 0.56 9.88 2.15 -1.21 -4.87 116.67 128.50 3g4s s ASP 48 Ca 0.11 -0.58 0.34 0.00 0.43 0.00 0.00 52.55 52.85 3g4s s ASP 48 Cb -0.12 -2.06 1.44 0.00 -0.30 0.00 0.00 42.92 41.88 3g4s s ASP 48 CO 0.02 -0.25 2.01 -0.65 -0.17 0.00 0.00 175.17 176.12 3g4s h PRO 49 N 8.43 0.00 0.03 4.34 0.11 -1.91 -0.44 132.00 142.56 3g4s h PRO 49 Ca -0.31 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.59 3g4s h PRO 49 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3g4s h PRO 49 CO 0.64 0.00 -1.01 0.00 -0.21 0.00 0.00 178.00 177.42 3g4s h ALA 50 N 2.00 0.36 -0.00 -0.75 0.00 -1.91 -3.40 119.26 115.55 3g4s h ALA 50 Ca -0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 54.91 53.89 3g4s h ALA 50 Cb 0.48 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 17.79 3g4s h ALA 50 CO 0.00 1.09 -1.03 2.89 0.00 0.00 0.00 179.25 182.20 3g4s n ARG 51 N -3.48 0.06 0.00 0.00 1.85 -1.15 -5.05 116.66 108.89 3g4s n ARG 51 Ca -0.03 -2.05 0.00 0.00 -1.00 0.00 0.00 57.85 54.78 3g4s n ARG 51 Cb 0.91 -0.06 0.00 0.00 -1.05 0.00 0.00 32.46 32.27 3g4s n ARG 51 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3g4s n SER 52 N 0.45 0.00 -4.75 2.89 7.64 -0.19 -4.71 113.62 114.95 3g4s n SER 52 Ca 0.06 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 3g4s n SER 52 Cb 1.13 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 64.42 3g4s n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g4s s ALA 53 N 0.00 2.22 0.55 -0.43 0.00 -1.26 -4.57 121.76 118.26 3g4s s ALA 53 Ca 0.00 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 3g4s s ALA 53 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3g4s s ALA 53 CO 0.00 -1.72 1.15 -1.25 0.00 0.00 0.00 175.76 173.94 3g4s s PRO 54 N -4.42 3.29 -0.10 0.00 0.04 -1.26 -3.34 135.00 129.22 3g4s s PRO 54 Ca 0.66 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.37 3g4s s PRO 54 Cb -0.21 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.34 3g4s s PRO 54 CO 0.49 -0.91 -0.10 0.54 0.04 0.00 0.00 177.00 177.06 3g4s s VAL 55 N -1.72 1.09 -0.02 -0.36 0.11 0.25 -3.27 120.40 116.48 3g4s s VAL 55 Ca 0.73 -0.38 -0.28 0.00 -2.93 0.00 0.00 61.98 59.13 3g4s s VAL 55 Cb -0.26 -1.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.50 3g4s s VAL 55 CO 0.29 0.37 0.88 0.00 -3.33 0.00 0.00 175.10 173.31 3g4s s ALA 56 N 1.29 3.23 -0.41 1.54 0.00 -0.02 -0.31 121.76 127.07 3g4s s ALA 56 Ca -0.03 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 3g4s s ALA 56 Cb -0.14 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3g4s s ALA 56 CO -0.04 -0.17 0.62 0.00 0.00 0.00 0.00 175.76 176.17 3g4s s ALA 57 N 0.87 3.38 -0.14 0.00 0.00 0.41 0.13 121.76 126.42 3g4s s ALA 57 Ca 0.47 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3g4s s ALA 57 Cb -0.20 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3g4s s ALA 57 CO 0.25 -1.63 -0.11 0.08 0.00 0.00 0.00 175.76 174.34 3g4s s VAL 58 N 2.72 3.20 -0.19 0.00 1.01 -0.86 -1.06 120.40 125.22 3g4s s VAL 58 Ca 0.22 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 3g4s s VAL 58 Cb -0.14 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3g4s s VAL 58 CO 0.17 0.52 -0.01 -0.70 0.00 0.00 0.00 175.10 175.08 3g4s s GLU 59 N 0.40 3.61 0.27 2.72 2.12 -0.96 -2.15 118.70 124.71 3g4s s GLU 59 Ca -0.09 -0.53 -0.03 0.00 0.36 0.00 0.00 54.97 54.68 3g4s s GLU 59 Cb -0.16 -3.03 0.06 0.00 0.26 0.00 0.00 34.13 31.26 3g4s s GLU 59 CO 0.05 0.05 0.36 1.19 -0.54 0.00 0.00 175.26 176.37 3g4s n PHE 60 N 4.12 -3.65 -0.25 5.30 3.01 -1.20 -1.71 117.46 123.07 3g4s n PHE 60 Ca -0.17 -0.44 -0.06 0.00 1.01 0.00 0.00 57.45 57.78 3g4s n PHE 60 Cb 0.52 -0.27 0.05 0.00 -0.01 0.00 0.00 39.48 39.76 3g4s n PHE 60 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3g4s h GLU 61 N 0.00 1.04 -0.60 -1.08 5.08 -1.64 -2.97 114.58 114.41 3g4s h GLU 61 Ca -0.12 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3g4s h GLU 61 Cb 0.37 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3g4s h GLU 61 CO 0.10 0.85 0.00 -0.40 -1.00 0.00 0.00 179.01 178.56 3g4s n ASP 62 N -4.39 3.46 -2.37 1.42 5.75 -1.26 -4.95 116.55 114.22 3g4s n ASP 62 Ca 0.06 -2.29 -0.14 0.00 -0.01 0.00 0.00 54.79 52.40 3g4s n ASP 62 Cb 0.16 -0.47 0.05 0.00 -1.03 0.00 0.00 41.12 39.83 3g4s n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g4s n GLY 63 N 0.93 0.05 3.30 6.12 0.00 -1.12 -5.01 105.19 109.46 3g4s n GLY 63 Ca 0.18 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 3g4s n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g4s s ASP 64 N -3.23 6.03 -0.30 1.61 -1.08 -1.26 -4.87 116.67 113.58 3g4s s ASP 64 Ca 0.33 -1.68 -0.29 0.00 -0.52 0.00 0.00 52.55 50.40 3g4s s ASP 64 Cb -0.15 -2.14 0.01 0.00 -1.46 0.00 0.00 42.92 39.18 3g4s s ASP 64 CO 0.44 -0.75 1.04 -0.60 0.52 0.00 0.00 175.17 175.82 3g4s s ARG 65 N 1.55 4.10 -0.01 4.34 3.52 -1.26 -3.26 118.95 127.93 3g4s s ARG 65 Ca 0.04 1.10 -0.03 0.00 -0.13 0.00 0.00 55.73 56.71 3g4s s ARG 65 Cb -0.27 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 3g4s s ARG 65 CO 0.03 -0.82 0.06 1.03 -0.81 0.00 0.00 175.30 174.79 3g4s s ARG 66 N 3.49 0.20 -0.24 5.12 0.52 -0.92 -5.03 118.95 122.08 3g4s s ARG 66 Ca 0.44 -0.13 -0.23 0.00 -0.52 0.00 0.00 55.73 55.29 3g4s s ARG 66 Cb -0.13 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.41 3g4s s ARG 66 CO 0.13 -0.04 0.74 -0.51 0.02 0.00 0.00 175.30 175.64 3g4s s LEU 67 N -0.50 4.08 0.17 2.53 1.43 -1.26 -2.03 118.68 123.10 3g4s s LEU 67 Ca -0.06 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.01 3g4s s LEU 67 Cb -0.04 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 3g4s s LEU 67 CO 0.00 -0.44 -0.01 -0.51 0.23 0.00 0.00 176.35 175.63 3g4s s ILE 68 N 2.62 3.70 0.07 -0.59 1.10 0.12 -4.60 121.20 123.63 3g4s s ILE 68 Ca 0.31 -1.42 -0.31 0.00 -0.51 0.00 0.00 60.65 58.72 3g4s s ILE 68 Cb -0.15 -2.86 -0.08 0.00 0.15 0.00 0.00 42.46 39.52 3g4s s ILE 68 CO 0.08 -0.10 1.50 -0.22 -2.11 0.00 0.00 174.94 174.09 3g4s s LEU 69 N -2.91 4.35 -0.24 8.50 2.96 -1.26 -0.84 118.68 129.23 3g4s s LEU 69 Ca 0.27 2.35 -0.23 0.00 -0.22 0.00 0.00 54.13 56.31 3g4s s LEU 69 Cb -0.09 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 3g4s s LEU 69 CO 0.18 -0.77 0.75 0.00 -1.32 0.00 0.00 176.35 175.20 3g4s s ALA 70 N 1.96 3.63 0.43 5.97 0.00 -1.20 -4.78 121.76 127.77 3g4s s ALA 70 Ca 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 3g4s s ALA 70 Cb -0.37 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3g4s s ALA 70 CO 0.30 -0.86 0.68 -2.14 0.00 0.00 0.00 175.76 173.75 3g4s s PRO 71 N 2.65 3.42 0.48 0.00 0.02 -1.26 -1.13 135.00 139.19 3g4s s PRO 71 Ca 0.32 -0.11 -0.24 0.00 0.02 0.00 0.00 61.00 60.99 3g4s s PRO 71 Cb -0.15 -2.51 -0.07 0.00 0.02 0.00 0.00 34.50 31.79 3g4s s PRO 71 CO 0.08 -0.10 1.38 -1.91 -0.33 0.00 0.00 177.00 176.12 3g4s n GLU 72 N -2.07 1.99 0.00 5.54 2.13 -0.63 -3.54 120.64 124.06 3g4s n GLU 72 Ca -0.01 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3g4s n GLU 72 Cb 0.56 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.70 3g4s n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3g4s n GLY 73 N 0.69 1.95 3.65 8.31 0.00 -1.26 -4.94 105.19 113.59 3g4s n GLY 73 Ca 0.07 -0.36 -0.48 0.00 0.00 0.00 0.00 46.02 45.25 3g4s n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3g4s n VAL 74 N 0.00 0.08 -4.18 1.61 0.31 -1.23 -4.99 118.33 109.93 3g4s n VAL 74 Ca 0.00 -0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.21 3g4s n VAL 74 Cb 0.00 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 3g4s n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g4s n GLY 75 N 3.36 3.62 3.71 2.92 0.00 -1.26 -4.97 105.19 112.56 3g4s n GLY 75 Ca 0.18 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3g4s n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4s s VAL 76 N -2.42 3.12 0.00 1.61 1.01 -1.26 -2.64 120.40 119.82 3g4s s VAL 76 Ca 0.13 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3g4s s VAL 76 Cb 0.01 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3g4s s VAL 76 CO 0.10 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3g4s n GLY 77 N 3.66 2.33 3.74 4.51 0.00 -0.59 -5.02 105.19 113.82 3g4s n GLY 77 Ca 0.13 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3g4s n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g4s n ASP 78 N 0.22 2.56 -4.45 1.61 9.92 -1.08 -4.69 116.55 120.63 3g4s n ASP 78 Ca 0.00 0.95 -0.33 0.00 -0.53 0.00 0.00 54.79 54.88 3g4s n ASP 78 Cb 0.00 -1.57 -0.13 0.00 -0.64 0.00 0.00 41.12 38.78 3g4s n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3g4s s GLU 79 N -2.95 2.92 0.19 -1.24 2.12 -1.26 -1.73 118.70 116.75 3g4s s GLU 79 Ca 0.73 -0.66 0.09 0.00 0.36 0.00 0.00 54.97 55.49 3g4s s GLU 79 Cb -0.41 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 3g4s s GLU 79 CO 0.48 0.46 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.96 3g4s s LEU 80 N -0.29 2.47 -0.10 2.70 1.43 -0.77 -4.99 118.68 119.14 3g4s s LEU 80 Ca 0.03 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.25 3g4s s LEU 80 Cb -0.13 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.22 3g4s s LEU 80 CO 0.03 -0.03 -0.19 -1.10 0.23 0.00 0.00 176.35 175.29 3g4s s GLN 81 N -2.99 2.54 -0.18 1.70 1.11 -1.26 -1.83 119.66 118.75 3g4s s GLN 81 Ca 0.19 -0.70 -0.02 0.00 0.01 0.00 0.00 55.36 54.85 3g4s s GLN 81 Cb -0.05 -2.00 -0.01 0.00 -1.01 0.00 0.00 33.01 29.94 3g4s s GLN 81 CO 0.08 0.08 -0.10 0.08 0.01 0.00 0.00 175.29 175.44 3g4s s VAL 82 N 0.58 3.01 -5.00 1.09 1.01 -1.19 -2.29 120.40 117.61 3g4s s VAL 82 Ca -0.15 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3g4s s VAL 82 Cb -0.17 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.89 3g4s s VAL 82 CO 0.05 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3g4s n GLY 83 N 4.33 -0.39 0.12 4.51 0.00 -0.83 -4.22 105.19 108.72 3g4s n GLY 83 Ca -0.19 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 3g4s n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g4s h VAL 84 N 0.00 1.48 -1.61 1.61 2.07 -1.89 -3.37 116.25 114.54 3g4s h VAL 84 Ca 0.00 -2.12 -0.70 0.00 0.82 0.00 0.00 66.70 64.70 3g4s h VAL 84 Cb 0.00 2.75 -0.32 0.00 -1.52 0.00 0.00 31.29 32.21 3g4s h VAL 84 CO 0.00 0.60 0.53 -1.54 0.02 0.00 0.00 177.57 177.19 3g4s n SER 85 N -4.29 6.82 -4.80 0.57 3.41 -1.26 -4.75 113.62 109.31 3g4s n SER 85 Ca -0.11 -3.80 -0.31 0.00 -0.26 0.00 0.00 58.87 54.39 3g4s n SER 85 Cb 0.65 -0.88 0.06 0.00 -0.26 0.00 0.00 64.21 63.78 3g4s n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4s s ALA 86 N -3.89 2.57 0.36 7.33 0.00 -1.26 -4.98 121.76 121.89 3g4s s ALA 86 Ca 0.54 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 3g4s s ALA 86 Cb 0.44 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 20.26 3g4s s ALA 86 CO -0.26 -1.34 1.11 -2.00 0.00 0.00 0.00 175.76 173.28 3g4s s GLU 87 N -4.90 4.30 -0.05 0.00 2.12 -1.26 -4.92 118.70 113.98 3g4s s GLU 87 Ca 0.60 1.74 -0.04 0.00 0.36 0.00 0.00 54.97 57.63 3g4s s GLU 87 Cb -0.15 -2.82 -0.16 0.00 0.26 0.00 0.00 34.13 31.26 3g4s s GLU 87 CO 0.53 -0.08 3.08 -0.89 -0.54 0.00 0.00 175.26 177.36 3g4s n ILE 88 N 0.44 2.75 -4.01 -3.70 5.41 -1.26 -4.73 119.36 114.26 3g4s n ILE 88 Ca 0.02 -1.36 -0.27 0.00 1.00 0.00 0.00 62.75 62.15 3g4s n ILE 88 Cb 0.47 -1.81 -0.04 0.00 -0.71 0.00 0.00 39.64 37.54 3g4s n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g4s s ALA 89 N 0.43 3.77 0.12 -1.39 0.00 -1.26 -5.06 121.76 118.36 3g4s s ALA 89 Ca 0.47 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.03 3g4s s ALA 89 Cb 0.24 -1.58 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 3g4s s ALA 89 CO -0.02 0.56 1.62 -2.14 0.00 0.00 0.00 175.76 175.78 3g4s s PRO 90 N -3.06 4.20 0.00 0.00 0.02 -1.26 -2.88 135.00 132.02 3g4s s PRO 90 Ca 0.33 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3g4s s PRO 90 Cb -0.11 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.02 3g4s s PRO 90 CO 0.26 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 3g4s n GLY 91 N 3.89 0.46 3.79 0.52 0.00 0.95 -4.93 105.19 109.86 3g4s n GLY 91 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3g4s n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g4s s ASN 92 N -2.46 6.89 -0.31 1.61 -0.87 -1.14 -4.73 114.94 113.93 3g4s s ASN 92 Ca 0.00 1.05 -0.12 0.00 -1.57 0.00 0.00 52.86 52.22 3g4s s ASN 92 Cb 0.00 -2.31 -0.03 0.00 -0.02 0.00 0.00 41.25 38.88 3g4s s ASN 92 CO 0.00 0.18 0.23 -0.89 -2.57 0.00 0.00 177.10 174.05 3g4s s THR 93 N -0.48 5.29 0.04 1.60 2.01 -0.97 -1.86 115.64 121.27 3g4s s THR 93 Ca 0.27 0.03 -0.19 0.00 0.31 0.00 0.00 61.69 62.11 3g4s s THR 93 Cb -0.17 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.75 3g4s s THR 93 CO 0.15 0.12 0.44 -1.48 -0.69 0.00 0.00 174.62 173.16 3g4s s LEU 94 N 1.78 0.26 0.69 4.42 2.34 -0.57 -1.97 118.68 125.64 3g4s s LEU 94 Ca 0.07 0.07 -0.16 0.00 0.06 0.00 0.00 54.13 54.17 3g4s s LEU 94 Cb -0.17 1.84 0.02 0.00 -0.56 0.00 0.00 46.19 47.33 3g4s s LEU 94 CO 0.11 -0.67 1.23 -2.16 -1.06 0.00 0.00 176.35 173.81 3g4s s PRO 95 N -2.36 2.33 0.53 1.48 0.04 -1.26 -2.09 135.00 133.66 3g4s s PRO 95 Ca -0.06 1.86 0.30 0.00 0.04 0.00 0.00 61.00 63.15 3g4s s PRO 95 Cb -0.01 -1.84 1.46 0.00 0.04 0.00 0.00 34.50 34.14 3g4s s PRO 95 CO -0.01 -1.71 1.91 -0.07 0.04 0.00 0.00 177.00 177.15 3g4s h LEU 96 N 0.06 0.01 -0.64 -3.56 3.38 -1.30 -1.79 115.31 111.47 3g4s h LEU 96 Ca -0.49 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 3g4s h LEU 96 Cb 1.31 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3g4s h LEU 96 CO 0.51 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.84 3g4s h ALA 97 N 1.58 0.83 -0.00 1.53 0.00 -1.82 -2.92 119.26 118.46 3g4s h ALA 97 Ca 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g4s h ALA 97 Cb 1.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3g4s h ALA 97 CO -0.01 0.64 -0.04 0.39 0.00 0.00 0.00 179.25 180.23 3g4s n GLU 98 N -4.12 0.06 -3.58 0.00 -0.58 -0.69 -4.75 120.64 106.99 3g4s n GLU 98 Ca 0.00 -0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 3g4s n GLU 98 Cb 0.43 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.73 3g4s n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3g4s s ILE 99 N -2.95 5.32 0.83 -3.67 1.01 -1.11 -5.00 121.20 115.63 3g4s s ILE 99 Ca 0.16 0.50 -0.11 0.00 0.00 0.00 0.00 60.65 61.19 3g4s s ILE 99 Cb 0.19 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 39.15 3g4s s ILE 99 CO 0.54 0.42 1.10 -2.16 0.00 0.00 0.00 174.94 174.83 3g4s s PRO 100 N 0.29 1.80 0.39 2.79 0.04 -1.26 -4.95 135.00 134.10 3g4s s PRO 100 Ca 0.16 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.65 3g4s s PRO 100 Cb -0.13 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 3g4s s PRO 100 CO 0.04 -1.83 1.02 -1.21 0.04 0.00 0.00 177.00 175.05 3g4s s GLU 101 N -5.09 4.22 -0.26 4.56 2.02 -1.26 -3.97 118.70 118.92 3g4s s GLU 101 Ca 0.62 1.43 0.00 0.00 0.02 0.00 0.00 54.97 57.04 3g4s s GLU 101 Cb -0.16 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.55 3g4s s GLU 101 CO 0.55 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.16 3g4s n GLY 102 N 0.25 0.40 3.43 -1.39 0.00 -0.51 -5.04 105.19 102.33 3g4s n GLY 102 Ca 0.05 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 3g4s n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4s s VAL 103 N -2.12 3.55 -0.15 1.61 1.01 -1.25 -4.96 120.40 118.07 3g4s s VAL 103 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3g4s s VAL 103 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3g4s s VAL 103 CO 0.00 0.49 1.40 -2.84 0.00 0.00 0.00 175.10 174.15 3g4s s PRO 104 N 0.51 4.15 0.22 2.72 0.02 -1.26 -3.53 135.00 137.83 3g4s s PRO 104 Ca -0.05 1.76 0.09 0.00 0.02 0.00 0.00 61.00 62.82 3g4s s PRO 104 Cb -0.15 -3.86 -0.05 0.00 0.02 0.00 0.00 34.50 30.47 3g4s s PRO 104 CO 0.03 -0.84 -0.18 0.08 -0.33 0.00 0.00 177.00 175.77 3g4s s VAL 105 N 3.88 2.03 0.32 3.83 1.01 0.53 -1.07 120.40 130.93 3g4s s VAL 105 Ca 0.61 -2.20 0.06 0.00 0.00 0.00 0.00 61.98 60.45 3g4s s VAL 105 Cb -0.24 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3g4s s VAL 105 CO 0.21 -0.44 0.24 0.00 0.00 0.00 0.00 175.10 175.11 3g4s n ASN 107 N -1.35 -1.34 -4.77 0.00 2.85 0.47 -0.74 115.26 110.38 3g4s n ASN 107 Ca 0.05 -0.95 -0.38 0.00 -0.11 0.00 0.00 54.58 53.19 3g4s n ASN 107 Cb 0.63 -3.28 -0.04 0.00 1.24 0.00 0.00 39.78 38.33 3g4s n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3g4s s VAL 108 N -3.75 3.58 0.25 3.44 1.01 -0.33 -4.17 120.40 120.44 3g4s s VAL 108 Ca 0.17 1.33 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 3g4s s VAL 108 Cb -0.09 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3g4s s VAL 108 CO 0.87 0.12 0.47 -1.61 0.00 0.00 0.00 175.10 174.96 3g4s s GLU 109 N -2.16 3.56 -0.03 2.72 2.02 -1.01 -0.15 118.70 123.64 3g4s s GLU 109 Ca 0.54 -0.22 -0.02 0.00 0.02 0.00 0.00 54.97 55.29 3g4s s GLU 109 Cb -0.26 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 3g4s s GLU 109 CO 0.33 0.30 -0.04 0.45 0.02 0.00 0.00 175.26 176.32 3g4s n SER 110 N -0.90 0.43 -4.89 -0.19 2.88 -1.26 -4.88 113.62 104.81 3g4s n SER 110 Ca -0.04 0.32 -0.35 0.00 -1.33 0.00 0.00 58.87 57.48 3g4s n SER 110 Cb 0.54 -0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 63.36 3g4s n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3g4s s SER 111 N -4.06 6.41 0.19 -3.46 0.15 -1.26 -4.60 113.70 107.07 3g4s s SER 111 Ca -0.04 0.44 -0.32 0.00 0.70 0.00 0.00 55.95 56.73 3g4s s SER 111 Cb 0.01 -2.04 -0.11 0.00 -1.71 0.00 0.00 66.02 62.16 3g4s s SER 111 CO 0.05 0.30 1.69 -2.16 1.20 0.00 0.00 173.24 174.32 3g4s s PRO 112 N -1.64 4.15 0.00 5.44 0.04 -1.26 -3.19 135.00 138.54 3g4s s PRO 112 Ca 0.24 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.81 3g4s s PRO 112 Cb -0.13 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3g4s s PRO 112 CO 0.14 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.87 3g4s n GLY 113 N 3.94 0.51 0.05 0.56 0.00 -1.26 -4.96 105.19 104.03 3g4s n GLY 113 Ca 0.15 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.43 3g4s n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g4s n ASP 114 N 1.64 0.42 0.00 1.61 5.68 -1.19 -4.94 116.55 119.76 3g4s n ASP 114 Ca 0.00 -0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 3g4s n ASP 114 Cb 0.05 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3g4s n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g4s n GLY 115 N 1.44 0.76 0.00 6.12 0.00 -1.26 -4.91 105.19 107.34 3g4s n GLY 115 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3g4s n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 116 N -2.17 1.80 1.56 -0.02 0.00 -1.26 -3.96 105.19 101.13 3g4s n GLY 116 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3g4s n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g4s n LYS 117 N 2.62 0.00 -2.22 1.61 4.76 0.79 -4.93 118.16 120.80 3g4s n LYS 117 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 3g4s n LYS 117 Cb 0.00 -0.23 0.01 0.00 -1.84 0.00 0.00 35.03 32.97 3g4s n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3g4s s PHE 118 N -2.00 3.57 -0.50 2.13 0.40 0.25 -4.68 117.98 117.15 3g4s s PHE 118 Ca 0.00 1.05 -0.29 0.00 -0.60 0.00 0.00 56.93 57.09 3g4s s PHE 118 Cb 0.00 -2.56 0.04 0.00 0.51 0.00 0.00 43.02 41.01 3g4s s PHE 118 CO 0.00 -0.55 0.65 0.00 0.70 0.00 0.00 175.22 176.02 3g4s n ALA 119 N -2.55 -2.51 0.00 5.36 0.00 -1.26 -1.18 120.51 118.36 3g4s n ALA 119 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3g4s n ALA 119 Cb 0.55 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3g4s n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g4s n ARG 120 N -0.54 2.65 -0.60 0.00 1.74 -1.26 -0.39 116.66 118.25 3g4s n ARG 120 Ca -0.07 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 3g4s n ARG 120 Cb 0.63 -0.87 0.20 0.00 -1.02 0.00 0.00 32.46 31.41 3g4s n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g4s n ALA 121 N -1.66 -1.61 -1.49 7.54 0.00 -1.26 -4.82 120.51 117.22 3g4s n ALA 121 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 53.44 52.23 3g4s n ALA 121 Cb 0.37 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 3g4s n ALA 121 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3g4s n SER 122 N -4.46 0.83 0.00 0.00 7.64 -1.26 -2.32 113.62 114.05 3g4s n SER 122 Ca 0.09 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.06 3g4s n SER 122 Cb 0.53 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3g4s n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g4s n GLY 123 N 6.48 0.75 3.91 0.23 0.00 -1.17 -4.51 105.19 110.88 3g4s n GLY 123 Ca 0.58 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 3g4s n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g4s s VAL 124 N -2.83 2.10 0.34 1.61 -7.23 -0.98 -4.53 120.40 108.87 3g4s s VAL 124 Ca 0.00 -0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 59.99 3g4s s VAL 124 Cb 0.00 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.96 3g4s s VAL 124 CO 0.00 0.00 0.58 0.54 -0.31 0.00 0.00 175.10 175.91 3g4s s ASN 125 N -4.56 0.46 -0.02 4.85 2.20 -1.26 -1.73 114.94 114.87 3g4s s ASN 125 Ca 0.61 -1.27 -0.01 0.00 -0.94 0.00 0.00 52.86 51.25 3g4s s ASN 125 Cb -0.11 0.71 0.02 0.00 -2.00 0.00 0.00 41.25 39.88 3g4s s ASN 125 CO 0.47 -1.40 0.04 0.00 -2.94 0.00 0.00 177.10 173.28 3g4s s ALA 126 N -2.99 -0.01 -0.24 3.54 0.00 0.28 -3.70 121.76 118.64 3g4s s ALA 126 Ca 0.24 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 3g4s s ALA 126 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3g4s s ALA 126 CO 0.16 -0.09 0.31 -1.14 0.00 0.00 0.00 175.76 175.00 3g4s s GLN 127 N 0.77 4.08 -0.20 0.00 2.00 -0.90 -0.35 119.66 125.06 3g4s s GLN 127 Ca -0.06 -0.02 -0.21 0.00 -2.00 0.00 0.00 55.36 53.07 3g4s s GLN 127 Cb -0.09 -3.59 -0.02 0.00 0.80 0.00 0.00 33.01 30.11 3g4s s GLN 127 CO -0.02 -0.10 0.65 -1.17 -0.50 0.00 0.00 175.29 174.14 3g4s s LEU 128 N 1.53 4.14 0.00 3.68 2.96 -1.23 -0.43 118.68 129.34 3g4s s LEU 128 Ca 0.14 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 3g4s s LEU 128 Cb -0.15 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.62 3g4s s LEU 128 CO 0.08 -0.29 0.00 0.18 -1.32 0.00 0.00 176.35 175.00 3g4s n LEU 129 N 5.08 0.00 -4.80 -0.68 4.77 -0.30 -1.43 117.00 119.64 3g4s n LEU 129 Ca -0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 3g4s n LEU 129 Cb 0.50 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3g4s n LEU 129 CO 0.44 -0.03 0.44 -0.89 -1.33 0.00 0.00 177.39 176.03 3g4s s THR 130 N -0.06 4.51 -0.21 -5.08 2.01 -1.25 -4.77 115.64 110.78 3g4s s THR 130 Ca 0.00 1.40 -0.01 0.00 0.31 0.00 0.00 61.69 63.39 3g4s s THR 130 Cb 0.00 -3.92 0.06 0.00 0.01 0.00 0.00 72.50 68.65 3g4s s THR 130 CO 0.00 0.27 -0.01 -1.00 -0.69 0.00 0.00 174.62 173.19 3g4s s HIS 131 N -1.45 1.70 0.00 4.92 3.76 -1.26 -2.84 115.29 120.12 3g4s s HIS 131 Ca 0.42 -1.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 3g4s s HIS 131 Cb -0.18 -1.30 0.00 0.00 1.11 0.00 0.00 32.58 32.21 3g4s s HIS 131 CO 0.22 -0.69 0.00 -3.47 -0.85 0.00 0.00 174.74 169.95 3g4s n ASP 132 N 4.86 1.74 -0.03 1.40 -0.08 -0.66 -5.04 116.55 118.74 3g4s n ASP 132 Ca -0.10 -0.09 0.03 0.00 -1.51 0.00 0.00 54.79 53.11 3g4s n ASP 132 Cb 0.46 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.76 3g4s n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3g4s n ARG 133 N -0.01 0.67 -0.12 -0.67 1.74 -1.26 -4.61 116.66 112.40 3g4s n ARG 133 Ca 0.00 -0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 56.81 3g4s n ARG 133 Cb 0.00 -1.56 -0.10 0.00 -1.02 0.00 0.00 32.46 29.79 3g4s n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3g4s n ASN 134 N -2.50 2.08 -4.36 0.55 3.02 -1.26 -5.00 115.26 107.78 3g4s n ASN 134 Ca -0.15 0.01 -0.27 0.00 -0.03 0.00 0.00 54.58 54.15 3g4s n ASN 134 Cb 0.80 -0.47 -0.13 0.00 -0.61 0.00 0.00 39.78 39.38 3g4s n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g4s s VAL 135 N -2.45 2.09 -0.33 2.41 0.11 -1.26 -4.50 120.40 116.47 3g4s s VAL 135 Ca -0.31 -1.76 -0.01 0.00 -2.93 0.00 0.00 61.98 56.97 3g4s s VAL 135 Cb 0.09 -1.89 0.11 0.00 -1.53 0.00 0.00 36.38 33.17 3g4s s VAL 135 CO 0.49 -0.02 0.15 0.00 -3.33 0.00 0.00 175.10 172.39 3g4s s ALA 136 N -1.27 1.23 0.03 1.54 0.00 -0.67 -1.65 121.76 120.98 3g4s s ALA 136 Ca 0.13 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.10 3g4s s ALA 136 Cb -0.09 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 3g4s s ALA 136 CO 0.06 -1.82 1.29 0.08 0.00 0.00 0.00 175.76 175.37 3g4s s VAL 137 N 1.45 3.84 -0.04 0.00 1.01 -1.13 -2.36 120.40 123.16 3g4s s VAL 137 Ca 0.13 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.44 3g4s s VAL 137 Cb -0.19 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3g4s s VAL 137 CO -0.19 0.05 -0.21 -0.69 0.00 0.00 0.00 175.10 174.06 3g4s s VAL 138 N 1.65 1.73 -0.46 2.92 1.01 -0.57 -1.15 120.40 125.52 3g4s s VAL 138 Ca 0.61 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 3g4s s VAL 138 Cb -0.31 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.66 3g4s s VAL 138 CO 0.27 0.49 0.47 -0.75 0.00 0.00 0.00 175.10 175.58 3g4s s LYS 139 N -0.15 3.06 0.59 2.72 2.20 0.43 -0.46 119.74 128.12 3g4s s LYS 139 Ca -0.01 -1.00 -0.16 0.00 -0.36 0.00 0.00 55.97 54.43 3g4s s LYS 139 Cb -0.12 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 3g4s s LYS 139 CO 0.02 -1.01 1.07 -0.51 -0.36 0.00 0.00 175.35 174.56 3g4s s LEU 140 N 2.09 3.53 0.59 5.43 1.43 -0.15 -2.11 118.68 129.49 3g4s s LEU 140 Ca 0.10 1.88 0.33 0.00 -1.03 0.00 0.00 54.13 55.41 3g4s s LEU 140 Cb -0.20 -4.54 1.20 0.00 0.03 0.00 0.00 46.19 42.68 3g4s s LEU 140 CO 0.11 -1.21 1.45 1.55 0.23 0.00 0.00 176.35 178.48 3g4s h PRO 141 N 0.53 0.00 0.00 1.29 0.13 -1.89 0.36 132.00 132.41 3g4s h PRO 141 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3g4s h PRO 141 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3g4s h PRO 141 CO 0.57 0.00 -0.19 0.66 -0.23 0.00 0.00 178.00 178.81 3g4s h SER 142 N 0.00 0.00 0.00 1.44 4.64 -1.93 -3.47 113.55 114.23 3g4s h SER 142 Ca 0.57 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3g4s h SER 142 Cb 2.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.02 3g4s h SER 142 CO -0.01 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3g4s n GLY 143 N 1.22 1.00 3.78 -0.77 0.00 0.13 -5.09 105.19 105.45 3g4s n GLY 143 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3g4s n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g4s s GLU 144 N -0.75 4.54 -0.49 1.61 2.12 -1.23 -4.82 118.70 119.67 3g4s s GLU 144 Ca 0.00 1.18 -0.19 0.00 0.36 0.00 0.00 54.97 56.31 3g4s s GLU 144 Cb 0.00 -3.09 0.05 0.00 0.26 0.00 0.00 34.13 31.35 3g4s s GLU 144 CO 0.00 0.47 0.63 -1.64 -0.54 0.00 0.00 175.26 174.18 3g4s s MET 145 N -1.50 3.15 -0.31 4.30 -1.94 -1.26 -0.98 119.30 120.75 3g4s s MET 145 Ca 0.41 -0.80 -0.12 0.00 -1.71 0.00 0.00 55.69 53.48 3g4s s MET 145 Cb -0.21 -4.07 -0.03 0.00 2.01 0.00 0.00 34.83 32.53 3g4s s MET 145 CO 0.25 -1.18 0.20 0.21 -0.01 0.00 0.00 175.02 174.50 3g4s s LYS 146 N 2.67 3.66 -1.01 2.03 2.47 0.39 -4.94 119.74 125.02 3g4s s LYS 146 Ca 0.16 -0.52 -0.23 0.00 -1.56 0.00 0.00 55.97 53.82 3g4s s LYS 146 Cb -0.18 -3.70 0.04 0.00 -1.46 0.00 0.00 37.83 32.52 3g4s s LYS 146 CO 0.13 -0.33 1.51 1.03 0.16 0.00 0.00 175.35 177.86 3g4s s ARG 147 N 1.72 3.46 0.29 4.03 0.52 -1.26 -1.51 118.95 126.20 3g4s s ARG 147 Ca 0.06 -1.02 -0.02 0.00 -0.52 0.00 0.00 55.73 54.24 3g4s s ARG 147 Cb -0.17 -5.32 -0.04 0.00 0.52 0.00 0.00 34.95 29.94 3g4s s ARG 147 CO 0.10 -2.35 0.52 -0.51 0.02 0.00 0.00 175.30 173.07 3g4s s LEU 148 N 5.61 4.08 -0.02 2.53 1.43 -1.00 -4.92 118.68 126.39 3g4s s LEU 148 Ca 0.49 0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 53.83 3g4s s LEU 148 Cb -0.01 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 3g4s s LEU 148 CO -0.09 -0.20 1.19 -0.62 0.23 0.00 0.00 176.35 176.86 3g4s s ASP 149 N -3.51 7.07 0.04 2.29 -1.08 -1.26 -1.67 116.67 118.55 3g4s s ASP 149 Ca 0.41 1.87 0.05 0.00 -0.52 0.00 0.00 52.55 54.36 3g4s s ASP 149 Cb -0.10 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 39.04 3g4s s ASP 149 CO 0.32 -0.54 1.16 -0.81 0.52 0.00 0.00 175.17 175.82 3g4s n PRO 150 N 4.79 0.02 0.00 4.34 -0.04 -1.26 -1.79 135.00 141.05 3g4s n PRO 150 Ca 0.10 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.17 3g4s n PRO 150 Cb 0.46 -1.56 0.54 0.00 -0.04 0.00 0.00 33.50 32.91 3g4s n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3g4s n GLN 151 N -1.60 0.52 -2.42 0.54 -0.06 -1.26 -2.58 117.38 110.52 3g4s n GLN 151 Ca 0.00 -0.20 -0.43 0.00 -2.00 0.00 0.00 57.00 54.38 3g4s n GLN 151 Cb 0.04 -1.50 -0.02 0.00 -4.06 0.00 0.00 30.24 24.70 3g4s n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3g4s s ARG 153 N 3.24 2.35 -0.07 0.00 0.52 -1.26 -2.11 118.95 121.61 3g4s s ARG 153 Ca 0.55 1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 56.86 3g4s s ARG 153 Cb -0.22 -1.89 0.09 0.00 0.52 0.00 0.00 34.95 33.45 3g4s s ARG 153 CO 0.16 -1.60 0.80 0.00 0.02 0.00 0.00 175.30 174.68 3g4s s ALA 154 N -2.48 -1.82 -0.20 2.13 0.00 -0.89 -2.41 121.76 116.09 3g4s s ALA 154 Ca 0.66 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.86 3g4s s ALA 154 Cb -0.21 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3g4s s ALA 154 CO 0.48 -0.40 0.13 0.99 0.00 0.00 0.00 175.76 176.96 3g4s s THR 155 N -1.48 5.35 0.06 0.00 2.01 0.08 -1.51 115.64 120.15 3g4s s THR 155 Ca -0.06 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 3g4s s THR 155 Cb -0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 3g4s s THR 155 CO 0.04 0.43 1.11 -0.63 -0.69 0.00 0.00 174.62 174.88 3g4s s ILE 156 N 0.44 4.26 0.00 1.82 1.01 -0.78 0.20 121.20 128.16 3g4s s ILE 156 Ca 0.07 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.40 3g4s s ILE 156 Cb -0.11 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3g4s s ILE 156 CO -0.01 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3g4s n GLY 157 N 2.92 2.71 3.89 6.18 0.00 -0.24 -0.03 105.19 120.62 3g4s n GLY 157 Ca 0.07 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 3g4s n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g4s s VAL 158 N -2.41 4.90 0.52 1.61 -7.23 -1.26 -2.35 120.40 114.17 3g4s s VAL 158 Ca 0.00 0.37 -0.21 0.00 -1.81 0.00 0.00 61.98 60.34 3g4s s VAL 158 Cb 0.00 -3.72 -0.06 0.00 0.56 0.00 0.00 36.38 33.16 3g4s s VAL 158 CO 0.00 -0.39 1.15 -0.69 -0.31 0.00 0.00 175.10 174.86 3g4s s VAL 159 N -2.20 3.07 0.64 1.32 1.01 -0.71 -1.60 120.40 121.93 3g4s s VAL 159 Ca 0.48 0.72 -0.08 0.00 0.00 0.00 0.00 61.98 63.09 3g4s s VAL 159 Cb -0.11 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.97 3g4s s VAL 159 CO 0.30 -0.10 0.98 0.00 0.00 0.00 0.00 175.10 176.28 3g4s s ALA 160 N -1.67 3.14 0.00 5.51 0.00 -0.29 -3.34 121.76 125.12 3g4s s ALA 160 Ca 0.70 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3g4s s ALA 160 Cb -0.26 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.09 3g4s s ALA 160 CO 0.31 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3g4s n GLY 161 N -2.75 0.78 3.72 0.00 0.00 -1.26 -3.06 105.19 102.62 3g4s n GLY 161 Ca 0.05 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 3g4s n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g4s s GLY 162 N -2.68 1.68 -1.54 -0.02 0.00 -1.26 -3.92 107.32 99.58 3g4s s GLY 162 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.13 3g4s s GLY 162 CO 0.00 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.51 3g4s n GLY 163 N -0.54 0.36 0.18 0.20 0.00 -1.26 -4.92 105.19 99.21 3g4s n GLY 163 Ca 0.10 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3g4s n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3g4s h ARG 164 N 0.00 0.58 0.00 1.61 2.43 -1.88 -3.19 114.38 113.93 3g4s h ARG 164 Ca -0.38 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.32 3g4s h ARG 164 Cb 1.22 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3g4s h ARG 164 CO 0.48 1.10 0.00 2.41 -1.51 0.00 0.00 179.97 182.45 3g4s n THR 165 N -4.17 0.70 1.23 0.20 -1.04 -1.26 -3.00 114.28 106.94 3g4s n THR 165 Ca -0.08 0.17 0.14 0.00 -2.04 0.00 0.00 64.05 62.25 3g4s n THR 165 Cb 0.63 -0.89 0.70 0.00 -1.82 0.00 0.00 70.33 68.95 3g4s n THR 165 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3g4s n ASP 166 N -1.41 0.00 -4.41 8.00 8.00 -1.20 -4.73 116.55 120.80 3g4s n ASP 166 Ca 0.06 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.38 3g4s n ASP 166 Cb 0.17 -0.38 -0.14 0.00 -0.02 0.00 0.00 41.12 40.75 3g4s n ASP 166 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3g4s s LYS 167 N -2.77 3.45 0.80 -1.24 2.20 -1.16 -5.12 119.74 115.89 3g4s s LYS 167 Ca 0.22 -0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 55.08 3g4s s LYS 167 Cb 0.20 -2.71 0.07 0.00 -1.51 0.00 0.00 37.83 33.88 3g4s s LYS 167 CO 0.49 0.23 1.09 -1.25 -0.36 0.00 0.00 175.35 175.56 3g4s s PRO 168 N 0.32 2.06 0.33 4.03 0.04 -1.26 -4.98 135.00 135.54 3g4s s PRO 168 Ca -0.08 1.01 0.18 0.00 0.04 0.00 0.00 61.00 62.14 3g4s s PRO 168 Cb -0.15 -1.89 0.34 0.00 0.04 0.00 0.00 34.50 32.84 3g4s s PRO 168 CO 0.05 -1.73 1.57 0.74 0.04 0.00 0.00 177.00 177.66 3g4s h PHE 169 N -1.19 0.00 0.00 0.56 -1.00 -1.99 -3.47 116.94 109.85 3g4s h PHE 169 Ca -0.45 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.33 3g4s h PHE 169 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 3g4s h PHE 169 CO 0.53 0.40 0.00 0.28 -1.61 0.00 0.00 178.31 177.92 3g4s n VAL 170 N -3.29 0.00 -4.22 -0.55 0.31 -1.26 -4.62 118.33 104.69 3g4s n VAL 170 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.19 3g4s n VAL 170 Cb 0.63 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.45 3g4s n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3g4s s LYS 171 N 0.00 0.97 0.55 5.55 -2.85 -1.26 -5.03 119.74 117.68 3g4s s LYS 171 Ca 0.00 -1.27 0.28 0.00 -1.00 0.00 0.00 55.97 53.98 3g4s s LYS 171 Cb 0.00 -0.70 1.59 0.00 -2.06 0.00 0.00 37.83 36.66 3g4s s LYS 171 CO 0.00 0.12 2.15 0.00 0.10 0.00 0.00 175.35 177.72 3g4s h ALA 172 N 3.33 1.42 -0.72 0.59 0.00 -2.00 -2.13 119.26 119.75 3g4s h ALA 172 Ca -0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3g4s h ALA 172 Cb 1.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3g4s h ALA 172 CO 0.55 0.09 0.41 0.78 0.00 0.00 0.00 179.25 181.07 3g4s h GLY 173 N 0.45 1.05 1.93 0.00 0.00 -1.95 0.18 103.07 104.73 3g4s h GLY 173 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 3g4s h GLY 173 CO 0.01 0.44 -0.60 3.43 0.00 0.00 0.00 176.54 179.81 3g4s h ASN 174 N 1.00 0.08 0.26 0.19 2.35 -1.64 -2.02 115.58 115.80 3g4s h ASN 174 Ca 0.26 -0.05 -0.27 0.00 -0.55 0.00 0.00 56.30 55.69 3g4s h ASN 174 Cb 0.00 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 38.36 3g4s h ASN 174 CO -0.04 0.67 -1.12 0.50 -1.65 0.00 0.00 177.43 175.78 3g4s h LYS 175 N 0.05 0.51 0.24 0.81 3.11 -1.36 -2.84 116.57 117.09 3g4s h LYS 175 Ca -0.01 -0.64 -0.01 0.00 -2.81 0.00 0.00 60.65 57.18 3g4s h LYS 175 Cb 1.08 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 3g4s h LYS 175 CO 0.08 1.26 -0.12 1.25 -2.81 0.00 0.00 179.45 179.11 3g4s h HIS 176 N 0.24 -0.30 -0.54 1.91 2.76 -0.53 -0.65 115.15 118.04 3g4s h HIS 176 Ca -0.14 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.07 3g4s h HIS 176 Cb 1.79 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.82 3g4s h HIS 176 CO 0.09 -0.19 0.36 0.45 -1.30 0.00 0.00 177.93 177.34 3g4s h HIS 177 N -0.32 0.53 0.07 5.26 3.86 -1.44 -1.99 115.15 121.12 3g4s h HIS 177 Ca -0.03 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3g4s h HIS 177 Cb 0.25 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3g4s h HIS 177 CO -0.06 0.30 -0.03 -0.22 0.86 0.00 0.00 177.93 178.77 3g4s h LYS 178 N 0.54 -0.09 0.00 2.45 3.64 -1.21 -3.32 116.57 118.58 3g4s h LYS 178 Ca 0.23 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3g4s h LYS 178 Cb 0.21 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3g4s h LYS 178 CO -0.06 0.48 -0.02 0.52 -2.27 0.00 0.00 179.45 178.10 3g4s h MET 179 N -0.80 0.00 0.00 1.90 2.86 -0.96 -2.30 114.93 115.64 3g4s h MET 179 Ca -0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3g4s h MET 179 Cb 0.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3g4s h MET 179 CO 0.02 0.02 -0.40 -0.22 1.06 0.00 0.00 176.91 177.39 3g4s h LYS 180 N 0.00 0.00 -0.49 1.72 3.64 -1.46 -2.81 116.57 117.18 3g4s h LYS 180 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3g4s h LYS 180 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3g4s h LYS 180 CO 0.00 0.40 0.00 0.00 -2.27 0.00 0.00 179.45 177.58 3g4s n ALA 181 N -2.45 2.42 -4.69 5.00 0.00 -0.87 -4.84 120.51 115.09 3g4s n ALA 181 Ca -0.02 -0.88 -0.31 0.00 0.00 0.00 0.00 53.44 52.23 3g4s n ALA 181 Cb 0.43 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 3g4s n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g4s n ARG 182 N 0.99 0.75 -1.41 0.00 5.12 -1.06 -4.75 116.66 116.30 3g4s n ARG 182 Ca 0.17 -3.60 -0.27 0.00 -1.93 0.00 0.00 57.85 52.22 3g4s n ARG 182 Cb 0.44 1.15 -0.02 0.00 -1.16 0.00 0.00 32.46 32.87 3g4s n ARG 182 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g4s n GLY 183 N -0.93 4.52 3.07 -0.13 0.00 -1.26 -4.47 105.19 105.98 3g4s n GLY 183 Ca -0.18 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 3g4s n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s THR 184 N -2.73 0.81 -0.05 2.61 2.01 -1.26 -4.73 115.64 112.30 3g4s s THR 184 Ca 0.53 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 3g4s s THR 184 Cb 0.37 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3g4s s THR 184 CO -0.19 0.01 0.63 -0.75 -0.69 0.00 0.00 174.62 173.64 3g4s s LYS 185 N -0.80 4.39 -0.03 4.92 2.47 -1.26 -4.85 119.74 124.57 3g4s s LYS 185 Ca 0.00 0.77 -0.05 0.00 -1.56 0.00 0.00 55.97 55.13 3g4s s LYS 185 Cb -0.06 -3.41 0.01 0.00 -1.46 0.00 0.00 37.83 32.91 3g4s s LYS 185 CO 0.00 0.19 0.13 -0.46 0.16 0.00 0.00 175.35 175.38 3g4s s TRP 186 N 0.39 -0.08 1.02 4.03 -0.00 -1.26 -4.77 118.94 118.26 3g4s s TRP 186 Ca 0.33 0.20 -0.17 0.00 -0.00 0.00 0.00 56.10 56.46 3g4s s TRP 186 Cb -0.18 0.01 0.22 0.00 -0.00 0.00 0.00 33.47 33.53 3g4s s TRP 186 CO 0.17 -0.14 1.29 -1.25 -0.00 0.00 0.00 176.95 177.03 3g4s s PRO 187 N -0.38 0.20 -0.40 5.86 0.04 -1.26 -5.13 135.00 133.93 3g4s s PRO 187 Ca -0.05 -0.39 -0.10 0.00 0.04 0.00 0.00 61.00 60.50 3g4s s PRO 187 Cb -0.03 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.77 3g4s s PRO 187 CO 0.00 -2.72 0.23 -0.80 0.04 0.00 0.00 177.00 173.76 3g4s s ASN 188 N -4.74 5.69 -0.12 6.66 0.01 -1.26 -5.06 114.94 116.12 3g4s s ASN 188 Ca 0.74 -1.25 -0.21 0.00 -0.71 0.00 0.00 52.86 51.43 3g4s s ASN 188 Cb -0.04 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 3g4s s ASN 188 CO 0.54 -0.46 0.61 -0.69 -1.51 0.00 0.00 177.10 175.59 3g4s s VAL 189 N 1.49 5.08 0.27 1.60 1.01 -1.26 -5.04 120.40 123.56 3g4s s VAL 189 Ca 0.02 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 3g4s s VAL 189 Cb -0.21 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 3g4s s VAL 189 CO 0.04 0.23 1.34 -0.13 0.00 0.00 0.00 175.10 176.59 3g4s s ARG 190 N 1.06 4.35 0.64 2.72 0.52 -1.26 -4.90 118.95 122.08 3g4s s ARG 190 Ca 0.31 2.18 0.32 0.00 -0.52 0.00 0.00 55.73 58.03 3g4s s ARG 190 Cb -0.16 -3.12 1.78 0.00 0.52 0.00 0.00 34.95 33.97 3g4s s ARG 190 CO 0.13 -0.26 2.05 0.78 0.02 0.00 0.00 175.30 178.03 3g4s h GLY 191 N 4.42 0.00 2.00 -3.53 0.00 -1.96 -1.00 103.07 103.00 3g4s h GLY 191 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 3g4s h GLY 191 CO 0.72 0.00 -0.15 -2.08 0.00 0.00 0.00 176.54 175.04 3g4s h VAL 192 N 0.00 0.28 -0.01 4.60 2.07 -1.91 -2.97 116.25 118.31 3g4s h VAL 192 Ca 0.05 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3g4s h VAL 192 Cb 0.55 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3g4s h VAL 192 CO -0.00 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 177.68 3g4s n ALA 193 N -2.15 2.69 -1.98 1.67 0.00 -0.38 -4.52 120.51 115.86 3g4s n ALA 193 Ca 0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 53.44 52.82 3g4s n ALA 193 Cb 0.52 -1.20 0.09 0.00 0.00 0.00 0.00 19.45 18.86 3g4s n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3g4s s MET 194 N -2.13 1.90 0.50 0.00 -1.94 -1.12 -4.97 119.30 111.54 3g4s s MET 194 Ca 0.36 -0.89 -0.06 0.00 -1.71 0.00 0.00 55.69 53.39 3g4s s MET 194 Cb 0.21 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 3g4s s MET 194 CO 0.38 -1.29 0.81 -0.80 -0.01 0.00 0.00 175.02 174.11 3g4s s ASN 195 N -4.64 6.24 0.47 3.03 0.01 -1.26 -1.73 114.94 117.05 3g4s s ASN 195 Ca 0.64 0.97 0.16 0.00 -0.71 0.00 0.00 52.86 53.91 3g4s s ASN 195 Cb -0.07 -2.25 1.13 0.00 0.41 0.00 0.00 41.25 40.46 3g4s s ASN 195 CO 0.43 -0.62 2.03 0.00 -1.51 0.00 0.00 177.10 177.43 3g4s h ALA 196 N 0.16 2.07 0.00 0.60 0.00 -1.82 -0.39 119.26 119.88 3g4s h ALA 196 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3g4s h ALA 196 Cb 1.20 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3g4s h ALA 196 CO 0.62 -0.16 -0.03 -0.24 0.00 0.00 0.00 179.25 179.44 3g4s h VAL 197 N 0.27 0.08 0.00 0.00 3.04 -1.93 -3.25 116.25 114.45 3g4s h VAL 197 Ca 0.20 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3g4s h VAL 197 Cb 0.45 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 3g4s h VAL 197 CO -0.04 0.03 -1.62 0.47 -1.01 0.00 0.00 177.57 175.40 3g4s n ASP 198 N -3.14 0.58 -3.54 3.17 8.00 -0.17 -0.90 116.55 120.55 3g4s n ASP 198 Ca 0.00 -0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.09 3g4s n ASP 198 Cb 0.31 1.65 -0.05 0.00 -0.02 0.00 0.00 41.12 43.01 3g4s n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3g4s s HIS 199 N -3.22 -0.52 0.59 1.24 2.46 -1.13 -4.44 115.29 110.27 3g4s s HIS 199 Ca -0.03 0.87 0.40 0.00 0.47 0.00 0.00 55.06 56.77 3g4s s HIS 199 Cb 0.13 0.43 2.17 0.00 -0.13 0.00 0.00 32.58 35.18 3g4s s HIS 199 CO 0.82 -0.50 2.30 -1.35 -2.47 0.00 0.00 174.74 173.54 3g4s h PRO 200 N 2.76 0.00 -0.61 2.88 0.11 -1.85 -1.13 132.00 134.15 3g4s h PRO 200 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3g4s h PRO 200 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3g4s h PRO 200 CO 0.35 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 179.34 3g4s n PHE 201 N -3.29 0.81 -2.08 0.65 0.99 -1.26 -4.51 117.46 108.78 3g4s n PHE 201 Ca -0.03 -0.44 -0.28 0.00 -0.00 0.00 0.00 57.45 56.71 3g4s n PHE 201 Cb 0.10 -0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.65 3g4s n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3g4s s GLY 202 N -1.10 1.63 0.00 1.37 0.00 -0.43 -4.17 107.32 104.62 3g4s s GLY 202 Ca 0.44 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.44 3g4s s GLY 202 CO 0.31 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.72 3g4s n GLY 203 N -3.03 -0.48 0.71 0.20 0.00 -0.70 -4.06 105.19 97.83 3g4s n GLY 203 Ca 0.07 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.50 3g4s n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 204 N 0.00 -3.19 0.08 -0.02 0.00 -1.26 -4.67 105.19 96.13 3g4s n GLY 204 Ca 0.00 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.97 3g4s n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 205 N -2.60 -1.55 0.43 -0.02 0.00 -1.26 -4.83 105.19 95.36 3g4s n GLY 205 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 3g4s n GLY 205 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g4s n ARG 206 N -2.04 0.20 -3.76 1.61 1.85 -1.26 -5.14 116.66 108.12 3g4s n ARG 206 Ca 0.05 -0.45 -0.37 0.00 -1.00 0.00 0.00 57.85 56.09 3g4s n ARG 206 Cb 0.36 0.34 -0.13 0.00 -1.05 0.00 0.00 32.46 31.99 3g4s n ARG 206 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3g4s s GLN 207 N -2.18 3.22 -0.19 2.89 -0.21 -1.26 -4.95 119.66 116.98 3g4s s GLN 207 Ca 0.05 -0.77 -0.32 0.00 0.02 0.00 0.00 55.36 54.34 3g4s s GLN 207 Cb 0.00 -3.37 0.14 0.00 1.00 0.00 0.00 33.01 30.79 3g4s s GLN 207 CO 0.03 -0.39 1.17 -3.38 -2.12 0.00 0.00 175.29 170.61 3g4s s HIS 208 N 1.53 -0.17 0.45 0.91 -3.43 -1.26 -5.16 115.29 108.16 3g4s s HIS 208 Ca 0.04 0.19 -0.15 0.00 -0.80 0.00 0.00 55.06 54.34 3g4s s HIS 208 Cb -0.17 0.50 -0.08 0.00 -1.43 0.00 0.00 32.58 31.41 3g4s s HIS 208 CO 0.03 -0.22 0.89 -1.25 -2.00 0.00 0.00 174.74 172.18 3g4s s PRO 209 N -1.94 3.92 -0.01 -0.38 0.04 -1.26 -4.87 135.00 130.50 3g4s s PRO 209 Ca 0.07 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 61.76 3g4s s PRO 209 Cb -0.01 -2.25 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3g4s s PRO 209 CO -0.05 -0.13 0.74 0.78 0.04 0.00 0.00 177.00 178.39 3g4s h GLY 210 N 1.24 -0.47 -1.57 0.56 0.00 -1.81 -3.47 103.07 97.54 3g4s h GLY 210 Ca -0.47 0.18 -0.47 0.00 0.00 0.00 0.00 47.33 46.56 3g4s h GLY 210 CO 0.63 -0.17 0.03 0.54 0.00 0.00 0.00 176.54 177.56 3g4s s LYS 211 N -3.25 1.91 0.42 4.80 1.02 -1.26 -5.06 119.74 118.32 3g4s s LYS 211 Ca -0.07 -1.30 -0.24 0.00 0.02 0.00 0.00 55.97 54.38 3g4s s LYS 211 Cb 0.01 -2.45 -0.08 0.00 -0.52 0.00 0.00 37.83 34.79 3g4s s LYS 211 CO 0.20 -1.23 1.12 -1.25 -0.92 0.00 0.00 175.35 173.27 3g4s s PRO 212 N -4.97 3.99 0.42 -1.68 0.04 -1.26 -4.95 135.00 126.58 3g4s s PRO 212 Ca 0.65 1.68 0.14 0.00 0.04 0.00 0.00 61.00 63.50 3g4s s PRO 212 Cb -0.05 -2.52 0.99 0.00 0.04 0.00 0.00 34.50 32.96 3g4s s PRO 212 CO 0.42 -0.34 1.93 0.87 0.04 0.00 0.00 177.00 179.93 3g4s h LYS 213 N 2.35 0.46 -6.46 4.56 1.57 -1.95 -3.42 116.57 113.68 3g4s h LYS 213 Ca -0.49 -0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.73 3g4s h LYS 213 Cb 1.23 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.45 3g4s h LYS 213 CO 0.61 0.30 0.73 -1.12 -0.57 0.00 0.00 179.45 179.41 3g4s s SER 214 N -6.03 6.89 0.11 0.86 0.01 -1.26 -1.87 113.70 112.42 3g4s s SER 214 Ca -0.08 2.16 0.09 0.00 1.31 0.00 0.00 55.95 59.43 3g4s s SER 214 Cb 0.21 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 3g4s s SER 214 CO 0.76 -0.64 -0.23 -0.51 0.41 0.00 0.00 173.24 173.03 3g4s s ILE 215 N 1.65 1.92 0.60 1.44 1.10 -0.42 -4.95 121.20 122.55 3g4s s ILE 215 Ca 0.63 -1.59 -0.19 0.00 -0.51 0.00 0.00 60.65 58.99 3g4s s ILE 215 Cb -0.33 -1.72 -0.03 0.00 0.15 0.00 0.00 42.46 40.54 3g4s s ILE 215 CO 0.28 0.03 1.29 -0.55 -2.11 0.00 0.00 174.94 173.88 3g4s s SER 216 N -1.88 4.95 0.51 4.50 0.15 -1.26 -1.69 113.70 118.98 3g4s s SER 216 Ca 0.09 2.61 0.30 0.00 0.70 0.00 0.00 55.95 59.65 3g4s s SER 216 Cb -0.10 -2.62 1.11 0.00 -1.71 0.00 0.00 66.02 62.70 3g4s s SER 216 CO 0.05 -1.77 1.89 -0.09 1.20 0.00 0.00 173.24 174.51 3g4s h ARG 217 N 0.91 0.00 -0.06 5.44 1.12 -1.96 -2.58 114.38 117.25 3g4s h ARG 217 Ca -0.51 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.36 3g4s h ARG 217 Cb 1.32 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.28 3g4s h ARG 217 CO 0.55 0.03 0.00 0.09 -3.11 0.00 0.00 179.97 177.53 3g4s n ASN 218 N -3.13 0.94 -4.74 -3.80 3.02 -1.26 -4.92 115.26 101.38 3g4s n ASN 218 Ca 0.01 -1.47 -0.41 0.00 -0.03 0.00 0.00 54.58 52.68 3g4s n ASN 218 Cb 0.37 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 3g4s n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4s s ALA 219 N -1.93 3.61 0.61 5.41 0.00 -0.97 -5.01 121.76 123.48 3g4s s ALA 219 Ca 0.35 1.26 -0.16 0.00 0.00 0.00 0.00 51.96 53.41 3g4s s ALA 219 Cb 0.18 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3g4s s ALA 219 CO 0.29 -0.68 1.09 -1.25 0.00 0.00 0.00 175.76 175.21 3g4s s PRO 220 N -0.07 3.11 -0.40 0.00 0.04 -1.26 -4.74 135.00 131.68 3g4s s PRO 220 Ca 0.60 1.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.73 3g4s s PRO 220 Cb -0.40 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 3g4s s PRO 220 CO 0.40 -1.00 1.94 -1.25 0.04 0.00 0.00 177.00 177.14 3g4s s PRO 221 N -3.91 2.99 0.00 0.56 0.04 -1.26 -1.39 135.00 132.04 3g4s s PRO 221 Ca 0.67 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3g4s s PRO 221 Cb -0.19 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.04 3g4s s PRO 221 CO 0.36 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.55 3g4s n GLY 222 N 5.60 0.51 0.00 0.56 0.00 -1.26 -4.89 105.19 105.71 3g4s n GLY 222 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3g4s n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3g4s n ARG 223 N 0.00 2.49 -2.66 1.61 0.63 -0.48 -4.75 116.66 113.50 3g4s n ARG 223 Ca 0.00 -0.09 -0.43 0.00 -0.92 0.00 0.00 57.85 56.41 3g4s n ARG 223 Cb 0.00 -0.44 0.00 0.00 0.45 0.00 0.00 32.46 32.47 3g4s n ARG 223 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3g4s n LYS 224 N -0.38 3.48 -4.46 -0.14 4.81 -1.09 -4.92 118.16 115.46 3g4s n LYS 224 Ca 0.00 -3.69 -0.23 0.00 -0.87 0.00 0.00 58.31 53.52 3g4s n LYS 224 Cb 0.04 -3.00 -0.10 0.00 0.02 0.00 0.00 35.03 31.99 3g4s n LYS 224 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3g4s s VAL 225 N 1.07 1.76 0.00 3.15 -7.23 -1.26 -5.01 120.40 112.88 3g4s s VAL 225 Ca 0.42 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 3g4s s VAL 225 Cb 0.03 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.43 3g4s s VAL 225 CO 0.00 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 3g4s n GLY 226 N -0.65 0.47 3.41 2.32 0.00 -1.26 -4.57 105.19 104.91 3g4s n GLY 226 Ca -0.05 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.86 3g4s n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g4s s ASP 227 N -4.00 6.35 -0.35 1.61 1.01 -0.78 -5.01 116.67 115.50 3g4s s ASP 227 Ca 0.00 -1.58 -0.29 0.00 0.71 0.00 0.00 52.55 51.39 3g4s s ASP 227 Cb 0.00 -2.36 -0.00 0.00 1.01 0.00 0.00 42.92 41.57 3g4s s ASP 227 CO 0.00 -1.15 1.51 -0.63 0.21 0.00 0.00 175.17 175.10 3g4s s ILE 228 N 2.89 3.82 -1.39 0.77 1.01 -1.26 -1.30 121.20 125.74 3g4s s ILE 228 Ca 0.21 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 61.70 3g4s s ILE 228 Cb -0.15 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.32 3g4s s ILE 228 CO 0.02 -0.58 0.62 0.00 0.00 0.00 0.00 174.94 174.99 3g4s n ALA 229 N 8.90 -1.91 -2.03 9.38 0.00 -0.68 -4.92 120.51 129.25 3g4s n ALA 229 Ca 0.18 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 3g4s n ALA 229 Cb 0.47 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 3g4s n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g4s s SER 230 N -4.21 6.69 0.26 0.00 1.04 -1.25 -4.89 113.70 111.34 3g4s s SER 230 Ca 0.10 2.49 0.24 0.00 0.48 0.00 0.00 55.95 59.27 3g4s s SER 230 Cb -0.05 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.85 3g4s s SER 230 CO 0.85 -0.75 1.45 0.11 0.98 0.00 0.00 173.24 175.88 3g4s h LYS 231 N 6.78 0.00 -1.79 4.02 1.57 -1.98 -3.48 116.57 121.69 3g4s h LYS 231 Ca -0.42 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 58.69 3g4s h LYS 231 Cb 1.21 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.42 3g4s h LYS 231 CO 0.89 0.00 0.86 -0.98 -0.57 0.00 0.00 179.45 179.66 3g4s s ARG 232 N -3.21 0.40 0.31 3.15 1.70 -1.26 -5.20 118.95 114.84 3g4s s ARG 232 Ca 0.06 -0.25 0.04 0.00 -0.47 0.00 0.00 55.73 55.12 3g4s s ARG 232 Cb 0.10 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 3g4s s ARG 232 CO 0.69 -0.19 0.32 0.25 -1.08 0.00 0.00 175.30 175.29 3g4s n THR 233 N -0.70 0.00 -0.27 4.99 -2.24 -1.26 -5.16 114.28 109.64 3g4s n THR 233 Ca -0.03 -2.01 0.04 0.00 -2.27 0.00 0.00 64.05 59.78 3g4s n THR 233 Cb 0.61 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.89 3g4s n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g4s n GLY 234 N -0.56 -1.92 0.00 3.38 0.00 -1.26 -4.96 105.19 99.87 3g4s n GLY 234 Ca 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3g4s n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4s n ARG 235 N -2.57 0.00 0.00 1.61 1.74 -1.26 -5.07 116.66 111.11 3g4s n ARG 235 Ca -0.01 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3g4s n ARG 235 Cb 0.13 -0.21 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 3g4s n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4s n GLY 236 N 2.28 0.83 2.48 -0.13 0.00 -1.26 -5.28 105.19 104.10 3g4s n GLY 236 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3g4s n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93