#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s ARG 2 N 0.00 3.46 0.37 1.61 0.52 -0.38 -5.05 118.95 119.48 3i56 s ARG 2 Ca 0.00 -0.61 -0.27 0.00 -0.52 0.00 0.00 55.73 54.33 3i56 s ARG 2 Cb 0.00 -2.81 -0.09 0.00 0.52 0.00 0.00 34.95 32.56 3i56 s ARG 2 CO 0.00 0.34 1.30 1.03 0.02 0.00 0.00 175.30 177.99 3i56 s ARG 3 N -4.06 4.16 0.81 3.54 1.81 -1.26 -4.75 118.95 119.19 3i56 s ARG 3 Ca 0.36 2.18 -0.12 0.00 -1.72 0.00 0.00 55.73 56.43 3i56 s ARG 3 Cb -0.09 -2.91 0.08 0.00 -0.45 0.00 0.00 34.95 31.58 3i56 s ARG 3 CO 0.31 -0.34 1.13 0.96 -0.68 0.00 0.00 175.30 176.68 3i56 s ILE 4 N -1.21 2.66 0.40 1.52 -4.36 -1.26 -4.89 121.20 114.06 3i56 s ILE 4 Ca 0.53 0.22 0.11 0.00 -0.26 0.00 0.00 60.65 61.24 3i56 s ILE 4 Cb -0.39 -3.08 0.32 0.00 1.25 0.00 0.00 42.46 40.56 3i56 s ILE 4 CO 0.51 -0.28 1.95 -0.61 0.24 0.00 0.00 174.94 176.74 3i56 h GLN 5 N -1.08 0.54 0.00 0.37 4.15 -1.95 -0.82 115.11 116.32 3i56 h GLN 5 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3i56 h GLN 5 Cb 1.29 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3i56 h GLN 5 CO 0.63 0.36 0.00 0.78 -1.93 0.00 0.00 178.83 178.67 3i56 h GLY 6 N 0.56 0.00 1.08 2.39 0.00 -1.99 -1.64 103.07 103.47 3i56 h GLY 6 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.45 3i56 h GLY 6 CO -0.11 0.00 -1.44 1.46 0.00 0.00 0.00 176.54 176.45 3i56 h GLN 7 N 0.00 0.00 0.00 4.80 4.20 -1.51 -3.30 115.11 119.30 3i56 h GLN 7 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3i56 h GLN 7 Cb 0.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3i56 h GLN 7 CO 0.00 0.39 -0.64 0.00 -0.67 0.00 0.00 178.83 177.91 3i56 h ARG 8 N 0.00 0.00 0.03 1.46 -0.00 -1.11 -3.29 114.38 111.48 3i56 h ARG 8 Ca -0.19 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.32 3i56 h ARG 8 Cb 1.72 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.65 3i56 h ARG 8 CO 0.06 0.64 -0.21 0.00 0.00 0.00 0.00 179.97 180.46 3i56 h ARG 9 N 0.00 -0.34 -0.02 0.04 3.08 -1.44 -2.78 114.38 112.92 3i56 h ARG 9 Ca -0.01 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3i56 h ARG 9 Cb 1.25 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 3i56 h ARG 9 CO 0.08 -0.23 0.09 0.78 -1.07 0.00 0.00 179.97 179.62 3i56 h GLY 10 N -0.35 0.00 2.00 0.04 0.00 -1.67 -1.75 103.07 101.34 3i56 h GLY 10 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3i56 h GLY 10 CO -0.17 0.00 -0.01 3.21 0.00 0.00 0.00 176.54 179.57 3i56 h ARG 11 N 0.00 0.00 -4.65 4.80 3.08 -1.64 -3.47 114.38 112.50 3i56 h ARG 11 Ca 0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.79 3i56 h ARG 11 Cb 0.18 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.35 3i56 h ARG 11 CO -0.00 0.01 -0.54 0.41 -1.07 0.00 0.00 179.97 178.78 3i56 n GLY 12 N -0.45 -0.15 3.93 0.04 0.00 -0.66 -5.04 105.19 102.85 3i56 n GLY 12 Ca -0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3i56 n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i56 s THR 13 N -3.25 2.09 0.17 2.61 -4.23 -1.26 -4.79 115.64 106.98 3i56 s THR 13 Ca 0.20 -0.14 -0.19 0.00 -1.18 0.00 0.00 61.69 60.38 3i56 s THR 13 Cb -0.09 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.90 3i56 s THR 13 CO 0.54 0.00 1.62 -1.28 -0.54 0.00 0.00 174.62 174.96 3i56 h SER 14 N -1.08 -0.77 -0.88 3.99 0.87 -1.96 -1.10 113.55 112.63 3i56 h SER 14 Ca -0.44 0.17 0.21 0.00 -1.23 0.00 0.00 61.79 60.50 3i56 h SER 14 Cb 1.29 0.40 -0.06 0.00 -0.44 0.00 0.00 62.40 63.59 3i56 h SER 14 CO 0.52 -0.25 0.59 0.74 -0.53 0.00 0.00 176.83 177.90 3i56 h THR 15 N -0.14 0.66 0.00 2.23 2.02 -2.00 -2.41 112.91 113.28 3i56 h THR 15 Ca 0.20 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3i56 h THR 15 Cb 0.46 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3i56 h THR 15 CO -0.52 0.06 -1.77 0.49 0.37 0.00 0.00 175.52 174.15 3i56 n PHE 16 N -4.47 0.19 -1.88 3.16 3.01 -0.70 -4.57 117.46 112.20 3i56 n PHE 16 Ca 0.19 0.05 -0.32 0.00 1.01 0.00 0.00 57.45 58.38 3i56 n PHE 16 Cb 0.73 -0.57 0.03 0.00 -0.01 0.00 0.00 39.48 39.66 3i56 n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3i56 s ARG 17 N -3.47 3.13 0.19 -1.08 0.52 -0.50 -4.14 118.95 113.60 3i56 s ARG 17 Ca -0.06 1.18 -0.22 0.00 -0.52 0.00 0.00 55.73 56.10 3i56 s ARG 17 Cb 0.13 -2.01 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 3i56 s ARG 17 CO 0.88 -0.96 0.74 0.00 0.02 0.00 0.00 175.30 175.99 3i56 s ALA 18 N -2.58 3.44 -0.85 2.13 0.00 -1.26 -4.57 121.76 118.07 3i56 s ALA 18 Ca 0.63 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 3i56 s ALA 18 Cb -0.16 -2.87 -0.13 0.00 0.00 0.00 0.00 23.12 19.96 3i56 s ALA 18 CO 0.42 0.31 1.98 -0.35 0.00 0.00 0.00 175.76 178.13 3i56 n PRO 19 N 1.18 1.71 -0.34 0.00 -0.04 -1.26 -4.72 135.00 131.53 3i56 n PRO 19 Ca -0.04 -1.85 0.12 0.00 -0.04 0.00 0.00 63.50 61.68 3i56 n PRO 19 Cb 0.50 -2.88 0.32 0.00 -0.04 0.00 0.00 33.50 31.40 3i56 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3i56 h SER 20 N 7.50 0.79 0.23 3.54 0.02 -1.97 -1.26 113.55 122.39 3i56 h SER 20 Ca 0.45 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.46 3i56 h SER 20 Cb 0.59 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3i56 h SER 20 CO 1.88 0.33 -0.08 1.12 -1.14 0.00 0.00 176.83 178.95 3i56 h HIS 21 N 0.80 0.00 -0.22 3.45 2.07 -2.04 -0.97 115.15 118.24 3i56 h HIS 21 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 3i56 h HIS 21 Cb 0.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.78 3i56 h HIS 21 CO -0.00 0.08 0.00 0.54 -3.07 0.00 0.00 177.93 175.47 3i56 n ARG 22 N -3.74 1.98 -3.40 5.12 1.74 -0.48 -4.92 116.66 112.96 3i56 n ARG 22 Ca -0.02 -1.47 -0.35 0.00 -0.77 0.00 0.00 57.85 55.24 3i56 n ARG 22 Cb 0.18 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 3i56 n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i56 s TYR 23 N -1.72 3.59 -0.01 -1.55 4.12 -0.37 -4.82 117.35 116.59 3i56 s TYR 23 Ca 0.34 1.00 -0.00 0.00 0.02 0.00 0.00 57.07 58.42 3i56 s TYR 23 Cb 0.19 -2.32 -0.00 0.00 -1.52 0.00 0.00 41.96 38.31 3i56 s TYR 23 CO 0.28 0.43 0.09 0.87 0.02 0.00 0.00 175.55 177.24 3i56 h LYS 24 N 3.50 -0.01 -3.73 -0.62 1.57 -1.91 -3.50 116.57 111.87 3i56 h LYS 24 Ca -0.49 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 3i56 h LYS 24 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 3i56 h LYS 24 CO 0.66 -0.01 -0.51 0.00 -0.57 0.00 0.00 179.45 179.03 3i56 s ALA 25 N -2.99 -0.14 -0.93 3.86 0.00 -1.26 -5.08 121.76 115.23 3i56 s ALA 25 Ca -0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 3i56 s ALA 25 Cb 0.00 0.23 0.14 0.00 0.00 0.00 0.00 23.12 23.49 3i56 s ALA 25 CO 0.00 -0.30 1.10 0.34 0.00 0.00 0.00 175.76 176.90 3i56 s ASP 26 N -1.97 6.65 -0.72 0.00 3.68 -1.26 -4.96 116.67 118.09 3i56 s ASP 26 Ca -0.07 -2.12 -0.26 0.00 2.13 0.00 0.00 52.55 52.23 3i56 s ASP 26 Cb -0.03 -2.38 -0.12 0.00 -1.45 0.00 0.00 42.92 38.95 3i56 s ASP 26 CO -0.03 -1.01 2.38 -0.76 0.13 0.00 0.00 175.17 175.88 3i56 s LEU 27 N 2.42 3.02 0.18 -1.34 1.43 -1.26 -4.94 118.68 118.19 3i56 s LEU 27 Ca 0.31 0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.78 3i56 s LEU 27 Cb -0.05 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3i56 s LEU 27 CO -0.09 -3.57 -0.18 -1.61 0.23 0.00 0.00 176.35 171.13 3i56 s GLU 28 N 8.64 1.31 0.59 1.70 2.02 -1.26 -4.86 118.70 126.84 3i56 s GLU 28 Ca 0.92 -1.45 -0.17 0.00 0.02 0.00 0.00 54.97 54.29 3i56 s GLU 28 Cb -0.14 -1.35 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 3i56 s GLU 28 CO 0.12 0.27 1.08 -1.01 0.02 0.00 0.00 175.26 175.74 3i56 s HIS 29 N -2.17 2.82 0.68 1.61 3.76 -0.98 -4.94 115.29 116.06 3i56 s HIS 29 Ca 0.17 1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 56.51 3i56 s HIS 29 Cb -0.05 -3.11 -0.00 0.00 1.11 0.00 0.00 32.58 30.53 3i56 s HIS 29 CO 0.07 -1.35 1.06 1.03 -0.85 0.00 0.00 174.74 174.70 3i56 s ARG 30 N -3.86 3.03 -0.27 1.40 0.52 -1.26 -4.84 118.95 113.67 3i56 s ARG 30 Ca 0.67 0.97 -0.08 0.00 -0.52 0.00 0.00 55.73 56.77 3i56 s ARG 30 Cb -0.19 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 3i56 s ARG 30 CO 0.35 -1.03 0.11 0.15 0.02 0.00 0.00 175.30 174.90 3i56 s LYS 31 N -4.93 3.64 0.01 3.54 1.02 -1.26 -5.07 119.74 116.70 3i56 s LYS 31 Ca 0.59 -0.50 0.06 0.00 0.02 0.00 0.00 55.97 56.13 3i56 s LYS 31 Cb -0.14 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 3i56 s LYS 31 CO 0.53 -0.23 -0.16 0.08 -0.92 0.00 0.00 175.35 174.64 3i56 s VAL 32 N 1.64 2.93 -0.02 3.17 1.01 -1.26 -5.05 120.40 122.81 3i56 s VAL 32 Ca 0.06 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 3i56 s VAL 32 Cb -0.16 -2.21 -0.18 0.00 0.00 0.00 0.00 36.38 33.84 3i56 s VAL 32 CO 0.06 0.42 1.17 -0.33 0.00 0.00 0.00 175.10 176.42 3i56 h GLU 33 N 4.79 -0.15 0.00 2.72 3.07 -2.00 -3.50 114.58 119.51 3i56 h GLU 33 Ca -0.47 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3i56 h GLU 33 Cb 1.15 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3i56 h GLU 33 CO 0.49 0.27 0.00 -3.47 -1.40 0.00 0.00 179.01 174.90 3i56 n ASP 34 N -4.95 0.00 0.00 1.42 4.64 -1.26 -5.06 116.55 111.34 3i56 n ASP 34 Ca -0.09 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 3i56 n ASP 34 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.33 3i56 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i56 n GLY 35 N -0.31 2.02 1.98 0.27 0.00 -1.26 -4.46 105.19 103.42 3i56 n GLY 35 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3i56 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i56 n ASP 36 N 1.30 0.00 -2.66 1.61 2.03 -1.26 -4.51 116.55 113.06 3i56 n ASP 36 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i56 n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i56 n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3i56 n VAL 37 N -2.00 0.00 -3.87 5.18 0.24 -1.26 -4.55 118.33 112.07 3i56 n VAL 37 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 3i56 n VAL 37 Cb 0.00 -1.17 -0.17 0.00 -1.47 0.00 0.00 33.84 31.03 3i56 n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i56 s ILE 38 N 2.51 0.42 0.27 1.34 -1.09 -1.26 -5.06 121.20 118.33 3i56 s ILE 38 Ca 0.00 0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 58.37 3i56 s ILE 38 Cb 0.00 -0.54 -0.00 0.00 -1.58 0.00 0.00 42.46 40.34 3i56 s ILE 38 CO 0.00 0.25 0.46 0.00 -1.23 0.00 0.00 174.94 174.42 3i56 s ALA 39 N 1.66 0.06 -0.13 9.38 0.00 -1.26 -2.12 121.76 129.35 3i56 s ALA 39 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 51.96 50.57 3i56 s ALA 39 Cb -0.13 1.10 0.13 0.00 0.00 0.00 0.00 23.12 24.22 3i56 s ALA 39 CO -0.04 -0.82 1.08 0.20 0.00 0.00 0.00 175.76 176.18 3i56 s GLY 40 N -3.08 -0.32 -0.03 0.00 0.00 -0.51 -2.36 107.32 101.02 3i56 s GLY 40 Ca 0.25 1.54 -0.07 0.00 0.00 0.00 0.00 44.72 46.45 3i56 s GLY 40 CO 0.12 0.57 0.24 -1.59 0.00 0.00 0.00 173.10 172.44 3i56 s THR 41 N -2.38 5.34 -0.22 0.90 2.01 -0.75 -1.37 115.64 119.17 3i56 s THR 41 Ca 0.06 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 62.02 3i56 s THR 41 Cb -0.01 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 3i56 s THR 41 CO -0.05 0.45 0.89 -0.69 -0.69 0.00 0.00 174.62 174.52 3i56 s VAL 42 N -1.21 4.80 -0.16 3.82 1.01 -0.57 -1.27 120.40 126.83 3i56 s VAL 42 Ca 0.24 1.70 -0.22 0.00 0.00 0.00 0.00 61.98 63.70 3i56 s VAL 42 Cb -0.13 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.88 3i56 s VAL 42 CO 0.13 -0.08 0.44 0.58 0.00 0.00 0.00 175.10 176.17 3i56 h VAL 43 N 5.38 1.19 -4.02 2.92 2.07 -0.85 -0.67 116.25 122.28 3i56 h VAL 43 Ca -0.23 -2.04 -0.13 0.00 0.82 0.00 0.00 66.70 65.12 3i56 h VAL 43 Cb 1.09 2.40 -0.12 0.00 -1.52 0.00 0.00 31.29 33.14 3i56 h VAL 43 CO 0.89 0.40 -0.35 -0.62 0.02 0.00 0.00 177.57 177.92 3i56 s ASP 44 N -6.30 0.04 -0.26 0.57 2.15 -1.10 -4.80 116.67 106.98 3i56 s ASP 44 Ca -0.19 -1.04 0.03 0.00 0.43 0.00 0.00 52.55 51.78 3i56 s ASP 44 Cb 0.00 0.46 0.06 0.00 -0.30 0.00 0.00 42.92 43.15 3i56 s ASP 44 CO 0.54 -0.95 -0.10 -0.63 -0.17 0.00 0.00 175.17 173.87 3i56 s ILE 45 N -4.04 2.05 0.42 4.11 -1.09 -1.26 -0.33 121.20 121.06 3i56 s ILE 45 Ca 0.25 -1.58 0.08 0.00 -2.23 0.00 0.00 60.65 57.16 3i56 s ILE 45 Cb 0.03 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 3i56 s ILE 45 CO 0.06 -0.06 0.34 -1.61 -1.23 0.00 0.00 174.94 172.44 3i56 s GLU 46 N 1.15 2.45 -0.21 2.79 2.02 0.70 -4.92 118.70 122.69 3i56 s GLU 46 Ca -0.08 -1.62 -0.10 0.00 0.02 0.00 0.00 54.97 53.19 3i56 s GLU 46 Cb -0.20 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 3i56 s GLU 46 CO -0.05 -0.20 0.14 -1.58 0.02 0.00 0.00 175.26 173.59 3i56 s HIS 47 N -2.51 3.39 -0.33 1.61 5.65 -1.26 0.11 115.29 121.94 3i56 s HIS 47 Ca 0.46 0.30 -0.17 0.00 0.25 0.00 0.00 55.06 55.90 3i56 s HIS 47 Cb -0.02 -2.18 -0.01 0.00 -1.18 0.00 0.00 32.58 29.19 3i56 s HIS 47 CO 0.27 0.24 0.49 0.34 -0.65 0.00 0.00 174.74 175.42 3i56 s ASP 48 N 0.51 6.31 0.52 9.88 2.15 -0.88 -4.90 116.67 130.25 3i56 s ASP 48 Ca 0.08 0.03 0.26 0.00 0.43 0.00 0.00 52.55 53.35 3i56 s ASP 48 Cb -0.12 -2.26 1.42 0.00 -0.30 0.00 0.00 42.92 41.67 3i56 s ASP 48 CO -0.01 -0.42 2.08 -0.65 -0.17 0.00 0.00 175.17 176.00 3i56 h PRO 49 N 8.39 0.00 0.00 4.34 0.11 -1.88 -2.12 132.00 140.84 3i56 h PRO 49 Ca -0.28 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.69 3i56 h PRO 49 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3i56 h PRO 49 CO 0.75 0.12 -0.66 0.00 -0.21 0.00 0.00 178.00 177.99 3i56 h ALA 50 N 1.88 0.77 0.00 -0.75 0.00 -1.92 -3.38 119.26 115.86 3i56 h ALA 50 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3i56 h ALA 50 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i56 h ALA 50 CO 0.02 0.83 0.00 0.54 0.00 0.00 0.00 179.25 180.63 3i56 n ARG 51 N -3.55 1.39 -3.71 0.00 1.74 -1.12 -5.00 116.66 106.41 3i56 n ARG 51 Ca -0.00 -0.25 -0.25 0.00 -0.77 0.00 0.00 57.85 56.57 3i56 n ARG 51 Cb 0.70 -0.71 0.06 0.00 -1.02 0.00 0.00 32.46 31.48 3i56 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3i56 n SER 52 N -0.27 -4.60 -3.87 0.55 7.64 -0.81 -4.76 113.62 107.51 3i56 n SER 52 Ca 0.00 -0.67 -0.09 0.00 1.01 0.00 0.00 58.87 59.12 3i56 n SER 52 Cb 0.04 -4.50 -0.08 0.00 -1.01 0.00 0.00 64.21 58.66 3i56 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i56 s ALA 53 N -3.37 -0.21 0.60 -0.43 0.00 -1.25 -4.96 121.76 112.14 3i56 s ALA 53 Ca 0.47 -0.60 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 3i56 s ALA 53 Cb -0.22 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 3i56 s ALA 53 CO 0.78 -0.48 1.02 -1.25 0.00 0.00 0.00 175.76 175.83 3i56 s PRO 54 N -3.67 3.63 -0.02 0.00 0.04 -1.26 -2.07 135.00 131.64 3i56 s PRO 54 Ca 0.04 0.84 0.01 0.00 0.04 0.00 0.00 61.00 61.93 3i56 s PRO 54 Cb 0.04 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.51 3i56 s PRO 54 CO -0.10 -0.54 -0.02 0.54 0.04 0.00 0.00 177.00 176.92 3i56 s VAL 55 N -2.99 0.29 -0.05 -0.36 0.11 0.12 -4.07 120.40 113.45 3i56 s VAL 55 Ca 0.57 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 59.36 3i56 s VAL 55 Cb -0.11 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3i56 s VAL 55 CO 0.47 0.15 0.69 0.00 -3.33 0.00 0.00 175.10 173.07 3i56 s ALA 56 N 0.68 3.36 -0.42 1.54 0.00 -0.80 -0.22 121.76 125.91 3i56 s ALA 56 Ca -0.07 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 3i56 s ALA 56 Cb -0.11 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.11 3i56 s ALA 56 CO -0.01 -0.05 0.60 0.00 0.00 0.00 0.00 175.76 176.31 3i56 s ALA 57 N 0.58 3.38 -0.03 0.00 0.00 0.55 -0.38 121.76 125.86 3i56 s ALA 57 Ca 0.36 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3i56 s ALA 57 Cb -0.18 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3i56 s ALA 57 CO 0.18 -1.67 -0.08 0.08 0.00 0.00 0.00 175.76 174.27 3i56 s VAL 58 N 2.69 3.55 -0.16 0.00 1.01 -0.59 -0.10 120.40 126.80 3i56 s VAL 58 Ca 0.21 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 3i56 s VAL 58 Cb -0.15 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3i56 s VAL 58 CO 0.17 0.51 -0.10 -0.70 0.00 0.00 0.00 175.10 174.98 3i56 s GLU 59 N -1.06 3.40 0.50 2.72 2.12 -0.40 -2.07 118.70 123.91 3i56 s GLU 59 Ca 0.14 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.83 3i56 s GLU 59 Cb -0.11 -2.76 0.02 0.00 0.26 0.00 0.00 34.13 31.54 3i56 s GLU 59 CO 0.04 0.09 0.71 -0.06 -0.54 0.00 0.00 175.26 175.50 3i56 s PHE 60 N 0.68 2.96 0.48 5.30 0.40 -0.04 -1.81 117.98 125.95 3i56 s PHE 60 Ca -0.05 -0.01 0.15 0.00 -0.60 0.00 0.00 56.93 56.42 3i56 s PHE 60 Cb -0.15 -2.56 1.13 0.00 0.51 0.00 0.00 43.02 41.95 3i56 s PHE 60 CO 0.02 -0.64 2.07 0.93 0.70 0.00 0.00 175.22 178.30 3i56 h GLU 61 N 0.27 0.01 -1.06 0.44 5.08 -1.80 -2.93 114.58 114.59 3i56 h GLU 61 Ca -0.43 -0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.47 3i56 h GLU 61 Cb 1.28 -0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.28 3i56 h GLU 61 CO 0.53 0.10 0.58 -0.40 -1.00 0.00 0.00 179.01 178.82 3i56 n ASP 62 N -4.43 4.66 0.00 1.42 5.75 -1.26 -4.90 116.55 117.78 3i56 n ASP 62 Ca -0.03 -3.36 0.00 0.00 -0.01 0.00 0.00 54.79 51.39 3i56 n ASP 62 Cb 0.16 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 3i56 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i56 n GLY 63 N -0.72 1.94 3.65 6.12 0.00 -1.11 -4.99 105.19 110.08 3i56 n GLY 63 Ca 0.49 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 3i56 n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i56 s ASP 64 N -3.32 6.66 -0.34 1.61 1.01 -1.26 -4.81 116.67 116.23 3i56 s ASP 64 Ca 0.00 1.89 -0.09 0.00 0.71 0.00 0.00 52.55 55.06 3i56 s ASP 64 Cb 0.00 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.42 3i56 s ASP 64 CO 0.00 -0.98 0.15 -0.60 0.21 0.00 0.00 175.17 173.95 3i56 s ARG 65 N 4.07 2.93 0.03 8.23 6.06 -1.26 -0.87 118.95 138.14 3i56 s ARG 65 Ca 0.67 -0.99 0.00 0.00 -2.50 0.00 0.00 55.73 52.92 3i56 s ARG 65 Cb -0.27 -3.56 -0.02 0.00 0.06 0.00 0.00 34.95 31.15 3i56 s ARG 65 CO 0.25 -0.58 -0.04 1.03 -2.50 0.00 0.00 175.30 173.46 3i56 s ARG 66 N 1.52 0.39 -0.02 5.12 0.52 -0.88 -5.03 118.95 120.57 3i56 s ARG 66 Ca 0.02 -0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 54.34 3i56 s ARG 66 Cb -0.18 0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.28 3i56 s ARG 66 CO 0.05 -0.04 0.46 -0.51 0.02 0.00 0.00 175.30 175.28 3i56 s LEU 67 N -1.68 4.42 0.05 2.53 1.43 -1.26 -1.55 118.68 122.62 3i56 s LEU 67 Ca -0.12 0.97 0.06 0.00 -1.03 0.00 0.00 54.13 54.02 3i56 s LEU 67 Cb -0.08 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3i56 s LEU 67 CO -0.02 0.21 -0.17 -0.51 0.23 0.00 0.00 176.35 176.09 3i56 s ILE 68 N -0.53 1.34 -0.56 -0.59 2.07 0.49 -4.69 121.20 118.73 3i56 s ILE 68 Ca 0.25 -1.18 -0.26 0.00 -1.41 0.00 0.00 60.65 58.06 3i56 s ILE 68 Cb -0.17 -1.21 -0.07 0.00 0.13 0.00 0.00 42.46 41.15 3i56 s ILE 68 CO 0.13 0.01 2.29 -0.22 -1.91 0.00 0.00 174.94 175.24 3i56 s LEU 69 N -1.35 3.32 -0.09 8.50 0.20 -1.26 -1.90 118.68 126.10 3i56 s LEU 69 Ca 0.03 0.76 -0.30 0.00 0.69 0.00 0.00 54.13 55.32 3i56 s LEU 69 Cb -0.09 -2.51 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 3i56 s LEU 69 CO 0.02 -2.90 1.34 0.00 -0.29 0.00 0.00 176.35 174.52 3i56 s ALA 70 N 11.85 3.60 0.96 5.97 0.00 -1.26 -4.93 121.76 137.95 3i56 s ALA 70 Ca 0.90 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 53.38 3i56 s ALA 70 Cb -0.15 -3.61 0.21 0.00 0.00 0.00 0.00 23.12 19.57 3i56 s ALA 70 CO 0.22 -1.06 1.31 -2.14 0.00 0.00 0.00 175.76 174.09 3i56 s PRO 71 N 3.05 0.54 0.33 0.00 0.02 -1.26 -2.21 135.00 135.47 3i56 s PRO 71 Ca 0.60 -0.57 -0.27 0.00 0.02 0.00 0.00 61.00 60.78 3i56 s PRO 71 Cb -0.26 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 3i56 s PRO 71 CO 0.21 -2.45 1.04 -2.00 -0.33 0.00 0.00 177.00 173.47 3i56 s GLU 72 N -5.87 4.47 0.00 5.54 2.12 0.25 -3.74 118.70 121.48 3i56 s GLU 72 Ca 0.75 1.58 0.00 0.00 0.36 0.00 0.00 54.97 57.66 3i56 s GLU 72 Cb -0.03 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.48 3i56 s GLU 72 CO 0.53 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.78 3i56 n GLY 73 N 0.79 3.47 3.72 -1.50 0.00 -1.26 -4.82 105.19 105.58 3i56 n GLY 73 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3i56 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i56 s VAL 74 N -2.92 3.11 0.41 1.61 1.01 -1.25 -5.02 120.40 117.35 3i56 s VAL 74 Ca 0.00 0.79 0.05 0.00 0.00 0.00 0.00 61.98 62.82 3i56 s VAL 74 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3i56 s VAL 74 CO 0.00 0.06 0.18 -0.83 0.00 0.00 0.00 175.10 174.51 3i56 s GLY 75 N 1.12 2.67 0.13 4.51 0.00 -1.26 -5.04 107.32 109.45 3i56 s GLY 75 Ca 0.66 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 3i56 s GLY 75 CO 0.30 -1.76 1.24 0.14 0.00 0.00 0.00 173.10 173.02 3i56 s VAL 76 N -3.21 3.67 0.00 1.40 1.01 -1.26 -2.94 120.40 119.06 3i56 s VAL 76 Ca 0.26 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3i56 s VAL 76 Cb 0.01 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3i56 s VAL 76 CO 0.18 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3i56 n GLY 77 N 2.77 1.52 3.77 4.51 0.00 -0.26 -4.98 105.19 112.51 3i56 n GLY 77 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3i56 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i56 s ASP 78 N -1.90 6.24 -0.27 1.61 1.11 -1.15 -4.70 116.67 117.60 3i56 s ASP 78 Ca 0.00 2.34 -0.06 0.00 0.18 0.00 0.00 52.55 55.01 3i56 s ASP 78 Cb 0.00 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 41.38 3i56 s ASP 78 CO 0.00 -0.87 0.06 -0.70 1.18 0.00 0.00 175.17 174.83 3i56 s GLU 79 N -2.59 3.27 -0.05 8.23 2.12 -1.26 -1.51 118.70 126.91 3i56 s GLU 79 Ca 0.62 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 3i56 s GLU 79 Cb -0.30 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3i56 s GLU 79 CO 0.37 -0.34 0.05 -0.51 -0.54 0.00 0.00 175.26 174.29 3i56 s LEU 80 N 1.52 3.83 -0.01 2.70 1.43 -0.47 -4.96 118.68 122.71 3i56 s LEU 80 Ca 0.04 0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 3i56 s LEU 80 Cb -0.16 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 3i56 s LEU 80 CO 0.02 0.33 -0.23 -1.10 0.23 0.00 0.00 176.35 175.60 3i56 s GLN 81 N -1.30 2.15 -0.14 1.70 -0.21 -1.26 -1.43 119.66 119.16 3i56 s GLN 81 Ca 0.18 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.66 3i56 s GLN 81 Cb -0.12 -2.11 0.02 0.00 1.00 0.00 0.00 33.01 31.81 3i56 s GLN 81 CO 0.08 0.57 -0.15 0.08 -2.12 0.00 0.00 175.29 173.74 3i56 s VAL 82 N -0.67 1.61 -5.00 1.09 1.01 -0.90 -2.13 120.40 115.41 3i56 s VAL 82 Ca 0.11 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3i56 s VAL 82 Cb -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3i56 s VAL 82 CO -0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3i56 n GLY 83 N 4.62 -0.32 0.22 4.51 0.00 0.08 -4.26 105.19 110.04 3i56 n GLY 83 Ca -0.18 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 3i56 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i56 h VAL 84 N 0.00 1.20 -0.85 1.61 2.07 -1.86 -3.13 116.25 115.29 3i56 h VAL 84 Ca 0.00 -0.60 -0.37 0.00 0.82 0.00 0.00 66.70 66.55 3i56 h VAL 84 Cb 0.00 0.71 -0.22 0.00 -1.52 0.00 0.00 31.29 30.26 3i56 h VAL 84 CO 0.00 0.23 0.45 -1.20 0.02 0.00 0.00 177.57 177.07 3i56 n SER 85 N -4.60 4.09 -4.77 0.57 7.64 -1.26 -4.88 113.62 110.41 3i56 n SER 85 Ca 0.01 -3.47 -0.33 0.00 1.01 0.00 0.00 58.87 56.10 3i56 n SER 85 Cb 0.14 -0.79 0.04 0.00 -1.01 0.00 0.00 64.21 62.59 3i56 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i56 s ALA 86 N -3.18 2.51 0.30 -0.43 0.00 -1.18 -5.01 121.76 114.77 3i56 s ALA 86 Ca 0.55 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 3i56 s ALA 86 Cb 0.46 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 20.17 3i56 s ALA 86 CO 0.11 -1.20 1.13 -2.00 0.00 0.00 0.00 175.76 173.81 3i56 s GLU 87 N -4.06 4.56 -1.43 0.00 2.12 -1.26 -4.94 118.70 113.69 3i56 s GLU 87 Ca 0.67 1.86 -0.13 0.00 0.36 0.00 0.00 54.97 57.72 3i56 s GLU 87 Cb -0.20 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 3i56 s GLU 87 CO 0.40 0.13 2.41 -0.89 -0.54 0.00 0.00 175.26 176.77 3i56 n ILE 88 N 1.05 3.53 -4.35 -3.70 5.41 -1.26 -4.78 119.36 115.27 3i56 n ILE 88 Ca -0.01 -2.71 -0.18 0.00 1.00 0.00 0.00 62.75 60.85 3i56 n ILE 88 Cb 0.45 -2.57 -0.10 0.00 -0.71 0.00 0.00 39.64 36.70 3i56 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i56 s ALA 89 N 3.05 2.00 0.20 -1.39 0.00 -1.26 -5.12 121.76 119.25 3i56 s ALA 89 Ca 0.54 -1.68 -0.31 0.00 0.00 0.00 0.00 51.96 50.51 3i56 s ALA 89 Cb 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.16 3i56 s ALA 89 CO -0.06 0.02 1.46 -2.14 0.00 0.00 0.00 175.76 175.04 3i56 s PRO 90 N -3.67 4.27 0.00 0.00 0.02 -1.26 -3.04 135.00 131.32 3i56 s PRO 90 Ca 0.23 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3i56 s PRO 90 Cb 0.00 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3i56 s PRO 90 CO 0.07 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 3i56 n GLY 91 N 2.90 1.31 3.82 0.52 0.00 -0.48 -4.94 105.19 108.33 3i56 n GLY 91 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3i56 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i56 s ASN 92 N -1.69 7.01 -0.24 1.61 -0.87 -1.17 -4.70 114.94 114.89 3i56 s ASN 92 Ca 0.00 1.25 -0.03 0.00 -1.57 0.00 0.00 52.86 52.50 3i56 s ASN 92 Cb 0.00 -2.35 0.01 0.00 -0.02 0.00 0.00 41.25 38.89 3i56 s ASN 92 CO 0.00 0.20 -0.04 -0.89 -2.57 0.00 0.00 177.10 173.81 3i56 s THR 93 N -1.25 3.19 0.02 1.60 2.01 -0.90 -2.22 115.64 118.10 3i56 s THR 93 Ca 0.33 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 3i56 s THR 93 Cb -0.18 -2.56 -0.00 0.00 0.01 0.00 0.00 72.50 69.76 3i56 s THR 93 CO 0.19 0.26 0.12 -1.48 -0.69 0.00 0.00 174.62 173.03 3i56 s LEU 94 N 1.40 1.66 0.73 4.42 2.34 -1.11 -0.74 118.68 127.38 3i56 s LEU 94 Ca 0.03 -0.37 -0.16 0.00 0.06 0.00 0.00 54.13 53.69 3i56 s LEU 94 Cb -0.16 0.65 0.02 0.00 -0.56 0.00 0.00 46.19 46.14 3i56 s LEU 94 CO -0.03 -0.44 1.03 -0.81 -1.06 0.00 0.00 176.35 175.03 3i56 n PRO 95 N 1.10 0.50 0.13 1.48 -0.04 -1.26 -2.76 135.00 134.15 3i56 n PRO 95 Ca -0.21 0.23 0.19 0.00 -0.04 0.00 0.00 63.50 63.67 3i56 n PRO 95 Cb 0.57 -2.28 0.77 0.00 -0.04 0.00 0.00 33.50 32.52 3i56 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i56 h LEU 96 N -0.30 0.00 -0.63 1.53 3.38 -0.78 -2.01 115.31 116.51 3i56 h LEU 96 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3i56 h LEU 96 Cb 1.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 3i56 h LEU 96 CO 0.47 0.00 0.34 0.00 0.09 0.00 0.00 178.44 179.34 3i56 h ALA 97 N 1.68 0.81 0.00 1.53 0.00 -1.62 -2.87 119.26 118.78 3i56 h ALA 97 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3i56 h ALA 97 Cb 0.77 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3i56 h ALA 97 CO -0.00 0.33 -0.34 0.93 0.00 0.00 0.00 179.25 180.17 3i56 h GLU 98 N 0.86 0.00 -6.47 0.00 4.39 -1.66 -3.45 114.58 108.25 3i56 h GLU 98 Ca 0.22 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.39 3i56 h GLU 98 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3i56 h GLU 98 CO -0.03 0.16 0.37 0.42 -1.16 0.00 0.00 179.01 178.77 3i56 s ILE 99 N -3.14 4.72 0.65 3.13 1.01 -1.08 -5.04 121.20 121.44 3i56 s ILE 99 Ca 0.05 2.05 -0.13 0.00 0.00 0.00 0.00 60.65 62.62 3i56 s ILE 99 Cb 0.06 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 3i56 s ILE 99 CO 0.71 0.22 1.06 -2.16 0.00 0.00 0.00 174.94 174.77 3i56 s PRO 100 N 0.63 3.11 0.68 2.79 0.04 -1.26 -4.95 135.00 136.04 3i56 s PRO 100 Ca 0.50 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.46 3i56 s PRO 100 Cb -0.22 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.32 3i56 s PRO 100 CO 0.29 -0.97 1.17 -1.21 0.04 0.00 0.00 177.00 176.32 3i56 s GLU 101 N -4.59 2.51 -0.24 4.56 2.02 -1.26 -3.59 118.70 118.11 3i56 s GLU 101 Ca 0.61 1.62 0.00 0.00 0.02 0.00 0.00 54.97 57.21 3i56 s GLU 101 Cb -0.15 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.19 3i56 s GLU 101 CO 0.46 -1.52 0.00 0.41 0.02 0.00 0.00 175.26 174.63 3i56 n GLY 102 N 0.05 0.51 3.40 -1.39 0.00 -0.51 -5.01 105.19 102.23 3i56 n GLY 102 Ca 0.12 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3i56 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i56 s VAL 103 N -1.83 4.09 0.05 1.61 1.01 -1.24 -4.95 120.40 119.15 3i56 s VAL 103 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 3i56 s VAL 103 Cb 0.00 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 3i56 s VAL 103 CO 0.00 0.26 1.90 -2.65 0.00 0.00 0.00 175.10 174.60 3i56 n PRO 104 N 4.89 2.71 -4.47 2.72 -0.02 -1.26 -3.98 135.00 135.60 3i56 n PRO 104 Ca -0.16 0.99 -0.24 0.00 -2.02 0.00 0.00 63.50 62.07 3i56 n PRO 104 Cb 0.50 -2.90 -0.10 0.00 -0.02 0.00 0.00 33.50 30.98 3i56 n PRO 104 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i56 s VAL 105 N 3.64 2.47 0.17 -1.45 -7.23 -0.38 -0.97 120.40 116.65 3i56 s VAL 105 Ca 0.87 -2.38 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3i56 s VAL 105 Cb -0.50 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 3i56 s VAL 105 CO 0.42 -0.38 0.11 0.00 -0.31 0.00 0.00 175.10 174.94 3i56 n ASN 107 N -0.18 -1.90 -4.79 0.00 5.15 0.98 -0.42 115.26 114.10 3i56 n ASN 107 Ca -0.02 -0.85 -0.36 0.00 -0.60 0.00 0.00 54.58 52.75 3i56 n ASN 107 Cb 0.65 -3.99 -0.06 0.00 -0.53 0.00 0.00 39.78 35.84 3i56 n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3i56 s VAL 108 N -3.65 4.13 0.24 3.44 1.01 -0.08 -4.14 120.40 121.35 3i56 s VAL 108 Ca 0.08 1.68 -0.04 0.00 0.00 0.00 0.00 61.98 63.70 3i56 s VAL 108 Cb -0.02 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3i56 s VAL 108 CO 0.82 0.06 0.49 -1.61 0.00 0.00 0.00 175.10 174.85 3i56 s GLU 109 N -2.28 3.62 -0.13 2.72 2.02 -1.03 0.45 118.70 124.08 3i56 s GLU 109 Ca 0.53 -0.07 -0.08 0.00 0.02 0.00 0.00 54.97 55.38 3i56 s GLU 109 Cb -0.18 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 3i56 s GLU 109 CO 0.23 0.31 -0.15 1.03 0.02 0.00 0.00 175.26 176.70 3i56 h SER 110 N 2.01 0.00 -3.11 -0.19 0.87 -1.95 -3.46 113.55 107.73 3i56 h SER 110 Ca -0.47 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.44 3i56 h SER 110 Cb 1.18 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.05 3i56 h SER 110 CO 0.68 0.67 -0.58 -0.55 -0.53 0.00 0.00 176.83 176.52 3i56 s SER 111 N -5.51 5.68 0.33 6.23 0.15 -1.26 -4.70 113.70 114.62 3i56 s SER 111 Ca -0.13 0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.36 3i56 s SER 111 Cb 0.02 -1.62 -0.11 0.00 -1.71 0.00 0.00 66.02 62.60 3i56 s SER 111 CO 0.19 0.25 1.53 -2.16 1.20 0.00 0.00 173.24 174.25 3i56 s PRO 112 N -1.88 4.14 0.00 5.44 0.04 -1.26 -2.99 135.00 138.48 3i56 s PRO 112 Ca 0.24 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3i56 s PRO 112 Cb -0.12 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3i56 s PRO 112 CO 0.16 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.05 3i56 n GLY 113 N 1.42 0.45 0.23 0.56 0.00 -1.26 -4.92 105.19 101.66 3i56 n GLY 113 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3i56 n GLY 113 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3i56 h ASP 114 N 0.00 0.00 0.00 1.61 3.04 -1.96 -3.47 116.42 115.63 3i56 h ASP 114 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3i56 h ASP 114 Cb 0.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 3i56 h ASP 114 CO 0.00 0.20 0.00 0.61 -2.04 0.00 0.00 179.24 178.01 3i56 n GLY 115 N 0.22 2.06 0.00 7.15 0.00 -1.26 -4.94 105.19 108.42 3i56 n GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i56 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 116 N -0.22 2.22 0.75 -0.02 0.00 -1.26 -2.32 105.19 104.34 3i56 n GLY 116 Ca 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.86 3i56 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i56 n LYS 117 N 1.44 0.17 -2.80 1.61 4.76 0.17 -4.91 118.16 118.60 3i56 n LYS 117 Ca 0.00 0.07 -0.29 0.00 -2.87 0.00 0.00 58.31 55.22 3i56 n LYS 117 Cb 0.00 -0.79 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 3i56 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i56 s PHE 118 N -2.20 3.51 -0.60 2.13 2.99 -0.16 -4.66 117.98 118.99 3i56 s PHE 118 Ca -0.11 0.93 -0.15 0.00 0.00 0.00 0.00 56.93 57.60 3i56 s PHE 118 Cb 0.03 -2.37 0.02 0.00 0.00 0.00 0.00 43.02 40.71 3i56 s PHE 118 CO 0.14 -0.15 0.64 0.00 -0.00 0.00 0.00 175.22 175.85 3i56 n ALA 119 N -1.64 -2.65 -0.12 5.36 0.00 -1.26 -0.90 120.51 119.31 3i56 n ALA 119 Ca 0.01 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3i56 n ALA 119 Cb 0.54 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3i56 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i56 n ARG 120 N -1.16 2.70 -2.37 0.00 1.74 -1.26 -0.02 116.66 116.28 3i56 n ARG 120 Ca -0.08 -0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.65 3i56 n ARG 120 Cb 0.59 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 3i56 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i56 s ALA 121 N -0.41 3.30 -0.66 7.54 0.00 -1.26 -4.94 121.76 125.33 3i56 s ALA 121 Ca 0.00 -0.36 -0.40 0.00 0.00 0.00 0.00 51.96 51.20 3i56 s ALA 121 Cb 0.00 -2.76 -0.20 0.00 0.00 0.00 0.00 23.12 20.17 3i56 s ALA 121 CO 0.00 -0.47 2.32 0.43 0.00 0.00 0.00 175.76 178.04 3i56 n SER 122 N -2.43 0.64 0.00 0.00 7.64 -1.26 -2.12 113.62 116.09 3i56 n SER 122 Ca 0.02 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.41 3i56 n SER 122 Cb 0.55 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3i56 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i56 n GLY 123 N 7.16 0.77 3.89 0.23 0.00 -0.87 -4.58 105.19 111.78 3i56 n GLY 123 Ca 0.58 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 3i56 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i56 s VAL 124 N -3.28 2.82 -0.03 1.61 -7.23 -0.90 -4.51 120.40 108.89 3i56 s VAL 124 Ca 0.00 0.27 -0.25 0.00 -1.81 0.00 0.00 61.98 60.19 3i56 s VAL 124 Cb 0.00 -3.26 0.05 0.00 0.56 0.00 0.00 36.38 33.73 3i56 s VAL 124 CO 0.00 -0.35 0.54 0.54 -0.31 0.00 0.00 175.10 175.52 3i56 s ASN 125 N -4.45 -0.48 0.03 4.85 2.20 -1.26 -1.71 114.94 114.12 3i56 s ASN 125 Ca 0.60 0.46 -0.01 0.00 -0.94 0.00 0.00 52.86 52.97 3i56 s ASN 125 Cb -0.11 0.45 -0.04 0.00 -2.00 0.00 0.00 41.25 39.55 3i56 s ASN 125 CO 0.51 -0.56 0.19 0.00 -2.94 0.00 0.00 177.10 174.30 3i56 s ALA 126 N -1.30 3.95 -0.21 3.54 0.00 0.11 -3.78 121.76 124.07 3i56 s ALA 126 Ca -0.12 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3i56 s ALA 126 Cb -0.02 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.28 3i56 s ALA 126 CO 0.07 0.78 -0.11 -1.14 0.00 0.00 0.00 175.76 175.36 3i56 s GLN 127 N -2.21 3.14 -0.02 0.00 2.00 -0.44 -1.24 119.66 120.90 3i56 s GLN 127 Ca 0.31 -0.76 -0.29 0.00 -2.00 0.00 0.00 55.36 52.62 3i56 s GLN 127 Cb -0.13 -2.81 -0.03 0.00 0.80 0.00 0.00 33.01 30.84 3i56 s GLN 127 CO 0.23 -0.23 0.93 -1.17 -0.50 0.00 0.00 175.29 174.55 3i56 s LEU 128 N 1.38 4.35 0.00 3.68 2.96 -1.26 0.20 118.68 130.00 3i56 s LEU 128 Ca 0.05 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 3i56 s LEU 128 Cb -0.14 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.08 3i56 s LEU 128 CO -0.08 -0.25 0.00 0.18 -1.32 0.00 0.00 176.35 174.89 3i56 n LEU 129 N 3.95 0.00 -4.91 -0.68 4.77 -0.56 -1.43 117.00 118.14 3i56 n LEU 129 Ca 0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 3i56 n LEU 129 Cb 0.51 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3i56 n LEU 129 CO 0.51 -0.48 -0.04 -0.89 -1.33 0.00 0.00 177.39 175.16 3i56 s THR 130 N -0.97 5.25 0.08 -5.08 2.01 -1.21 -4.64 115.64 111.08 3i56 s THR 130 Ca 0.00 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 61.89 3i56 s THR 130 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3i56 s THR 130 CO 0.00 0.04 -0.18 -1.00 -0.69 0.00 0.00 174.62 172.80 3i56 s HIS 131 N -1.64 1.51 0.00 4.92 3.76 -1.26 -2.80 115.29 119.79 3i56 s HIS 131 Ca 0.39 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 3i56 s HIS 131 Cb -0.12 -0.85 0.00 0.00 1.11 0.00 0.00 32.58 32.72 3i56 s HIS 131 CO 0.26 0.12 0.00 -3.47 -0.85 0.00 0.00 174.74 170.81 3i56 n ASP 132 N 1.31 0.00 -0.00 1.40 -0.08 -1.12 -4.96 116.55 113.09 3i56 n ASP 132 Ca -0.20 -0.84 0.11 0.00 -1.51 0.00 0.00 54.79 52.35 3i56 n ASP 132 Cb 0.54 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.85 3i56 n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3i56 n ARG 133 N 0.00 0.56 -0.07 -0.67 1.74 -1.26 -4.63 116.66 112.34 3i56 n ARG 133 Ca 0.00 -0.16 -0.14 0.00 -0.77 0.00 0.00 57.85 56.79 3i56 n ARG 133 Cb 0.00 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 29.86 3i56 n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i56 n ASN 134 N -2.17 1.16 -4.12 0.55 3.02 -1.26 -4.88 115.26 107.55 3i56 n ASN 134 Ca -0.03 0.14 -0.28 0.00 -0.03 0.00 0.00 54.58 54.39 3i56 n ASN 134 Cb 0.53 -0.37 -0.17 0.00 -0.61 0.00 0.00 39.78 39.17 3i56 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i56 s VAL 135 N -2.25 1.54 -0.32 2.41 0.11 -1.26 -4.28 120.40 116.35 3i56 s VAL 135 Ca -0.19 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 3i56 s VAL 135 Cb 0.07 -1.35 0.07 0.00 -1.53 0.00 0.00 36.38 33.64 3i56 s VAL 135 CO 0.24 0.44 0.03 0.00 -3.33 0.00 0.00 175.10 172.48 3i56 s ALA 136 N 0.38 2.85 -0.33 1.54 0.00 0.11 -2.80 121.76 123.51 3i56 s ALA 136 Ca -0.13 -2.08 -0.27 0.00 0.00 0.00 0.00 51.96 49.48 3i56 s ALA 136 Cb -0.15 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.01 3i56 s ALA 136 CO 0.05 -1.45 0.97 0.08 0.00 0.00 0.00 175.76 175.42 3i56 s VAL 137 N 1.13 4.59 -0.10 0.00 1.01 -1.12 -1.39 120.40 124.51 3i56 s VAL 137 Ca -0.00 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.43 3i56 s VAL 137 Cb -0.20 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 3i56 s VAL 137 CO -0.04 -0.45 -0.03 -0.69 0.00 0.00 0.00 175.10 173.90 3i56 s VAL 138 N 3.46 4.05 -0.52 2.92 1.01 -0.22 -1.50 120.40 129.60 3i56 s VAL 138 Ca 0.41 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3i56 s VAL 138 Cb -0.12 -2.72 0.11 0.00 0.00 0.00 0.00 36.38 33.65 3i56 s VAL 138 CO 0.16 0.57 0.46 -0.75 0.00 0.00 0.00 175.10 175.53 3i56 s LYS 139 N -0.46 2.95 0.70 2.72 2.20 0.13 -0.09 119.74 127.90 3i56 s LYS 139 Ca 0.08 -1.62 -0.15 0.00 -0.36 0.00 0.00 55.97 53.92 3i56 s LYS 139 Cb -0.12 -4.23 0.02 0.00 -1.51 0.00 0.00 37.83 32.00 3i56 s LYS 139 CO 0.02 -1.24 1.17 -0.51 -0.36 0.00 0.00 175.35 174.43 3i56 s LEU 140 N 1.59 3.35 0.49 5.43 1.43 -0.29 -1.32 118.68 129.36 3i56 s LEU 140 Ca 0.03 2.22 0.19 0.00 -1.03 0.00 0.00 54.13 55.54 3i56 s LEU 140 Cb -0.28 -4.57 1.01 0.00 0.03 0.00 0.00 46.19 42.37 3i56 s LEU 140 CO 0.04 -2.02 1.51 1.55 0.23 0.00 0.00 176.35 177.66 3i56 h PRO 141 N -0.15 0.00 0.00 1.29 0.13 -1.90 0.83 132.00 132.20 3i56 h PRO 141 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i56 h PRO 141 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3i56 h PRO 141 CO 0.51 0.00 -0.08 -1.13 -0.23 0.00 0.00 178.00 177.07 3i56 n SER 142 N -2.41 0.41 0.00 1.44 3.41 -1.26 -4.90 113.62 110.31 3i56 n SER 142 Ca -0.01 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3i56 n SER 142 Cb 0.41 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3i56 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i56 n GLY 143 N 1.41 0.96 3.83 5.00 0.00 0.29 -5.09 105.19 111.59 3i56 n GLY 143 Ca 0.06 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3i56 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i56 s GLU 144 N -0.89 4.05 -0.70 1.61 2.12 -1.23 -4.88 118.70 118.78 3i56 s GLU 144 Ca 0.00 0.57 -0.18 0.00 0.36 0.00 0.00 54.97 55.71 3i56 s GLU 144 Cb 0.00 -3.02 0.12 0.00 0.26 0.00 0.00 34.13 31.49 3i56 s GLU 144 CO 0.00 0.53 0.82 -1.64 -0.54 0.00 0.00 175.26 174.42 3i56 s MET 145 N -1.69 3.24 -0.34 4.30 -1.94 -1.26 -1.13 119.30 120.46 3i56 s MET 145 Ca 0.35 -1.54 -0.20 0.00 -1.71 0.00 0.00 55.69 52.59 3i56 s MET 145 Cb -0.16 -4.41 -0.00 0.00 2.01 0.00 0.00 34.83 32.26 3i56 s MET 145 CO 0.19 -1.57 0.63 0.21 -0.01 0.00 0.00 175.02 174.47 3i56 s LYS 146 N 2.42 3.73 -0.41 2.03 2.47 0.88 -4.92 119.74 125.94 3i56 s LYS 146 Ca 0.17 0.10 -0.29 0.00 -1.56 0.00 0.00 55.97 54.40 3i56 s LYS 146 Cb -0.18 -3.79 0.02 0.00 -1.46 0.00 0.00 37.83 32.42 3i56 s LYS 146 CO 0.01 -0.70 1.12 1.03 0.16 0.00 0.00 175.35 176.97 3i56 s ARG 147 N 2.68 3.87 0.31 4.03 0.52 -1.26 -1.06 118.95 128.04 3i56 s ARG 147 Ca 0.24 0.80 0.09 0.00 -0.52 0.00 0.00 55.73 56.34 3i56 s ARG 147 Cb -0.15 -3.83 -0.06 0.00 0.52 0.00 0.00 34.95 31.43 3i56 s ARG 147 CO 0.14 -1.17 -0.11 -0.51 0.02 0.00 0.00 175.30 173.67 3i56 s LEU 148 N 4.12 2.63 0.20 2.53 1.43 -0.48 -4.95 118.68 124.15 3i56 s LEU 148 Ca 0.47 -1.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 3i56 s LEU 148 Cb -0.09 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 3i56 s LEU 148 CO 0.25 -0.20 1.19 -0.62 0.23 0.00 0.00 176.35 177.20 3i56 s ASP 149 N -3.53 7.09 0.47 2.29 -1.08 -1.26 0.05 116.67 120.70 3i56 s ASP 149 Ca 0.31 2.25 0.32 0.00 -0.52 0.00 0.00 52.55 54.90 3i56 s ASP 149 Cb 0.01 -2.61 1.47 0.00 -1.46 0.00 0.00 42.92 40.33 3i56 s ASP 149 CO 0.14 -0.36 1.95 1.55 0.52 0.00 0.00 175.17 178.98 3i56 h PRO 150 N 5.06 0.00 -0.00 4.34 0.13 -1.90 -2.68 132.00 136.95 3i56 h PRO 150 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3i56 h PRO 150 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i56 h PRO 150 CO 0.74 0.00 -0.04 0.94 -0.23 0.00 0.00 178.00 179.41 3i56 n GLN 151 N -2.74 0.72 -2.44 0.86 -0.06 -1.26 -1.64 117.38 110.81 3i56 n GLN 151 Ca -0.00 -0.12 -0.43 0.00 -2.00 0.00 0.00 57.00 54.45 3i56 n GLN 151 Cb 0.20 -1.50 -0.02 0.00 -4.06 0.00 0.00 30.24 24.86 3i56 n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i56 s ARG 153 N 3.55 3.78 -0.07 0.00 0.52 -1.26 -2.05 118.95 123.41 3i56 s ARG 153 Ca 0.54 1.59 -0.17 0.00 -0.52 0.00 0.00 55.73 57.17 3i56 s ARG 153 Cb -0.20 -2.29 0.04 0.00 0.52 0.00 0.00 34.95 33.02 3i56 s ARG 153 CO 0.15 -0.49 0.40 0.00 0.02 0.00 0.00 175.30 175.38 3i56 s ALA 154 N -1.71 -1.02 -0.03 2.13 0.00 -1.11 -2.45 121.76 117.56 3i56 s ALA 154 Ca 0.65 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 3i56 s ALA 154 Cb -0.23 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3i56 s ALA 154 CO 0.28 -0.26 0.34 0.99 0.00 0.00 0.00 175.76 177.11 3i56 s THR 155 N -0.80 5.16 0.15 0.00 2.01 0.44 -2.75 115.64 119.84 3i56 s THR 155 Ca -0.09 0.65 -0.25 0.00 0.31 0.00 0.00 61.69 62.32 3i56 s THR 155 Cb -0.04 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 3i56 s THR 155 CO 0.04 0.57 0.75 -0.63 -0.69 0.00 0.00 174.62 174.67 3i56 s ILE 156 N -1.09 4.44 0.00 1.82 1.01 -0.94 0.55 121.20 126.99 3i56 s ILE 156 Ca 0.22 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.52 3i56 s ILE 156 Cb -0.15 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3i56 s ILE 156 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.18 3i56 n GLY 157 N 1.68 1.38 3.92 6.18 0.00 -0.14 -1.38 105.19 116.82 3i56 n GLY 157 Ca -0.06 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.49 3i56 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i56 s VAL 158 N -1.45 5.19 0.60 1.61 -7.23 -1.26 -3.27 120.40 114.59 3i56 s VAL 158 Ca 0.00 -0.27 -0.19 0.00 -1.81 0.00 0.00 61.98 59.71 3i56 s VAL 158 Cb 0.00 -3.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.20 3i56 s VAL 158 CO 0.00 -0.14 1.26 -0.69 -0.31 0.00 0.00 175.10 175.21 3i56 s VAL 159 N -1.84 2.36 0.93 1.32 1.01 -0.69 -0.58 120.40 122.91 3i56 s VAL 159 Ca 0.39 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 3i56 s VAL 159 Cb -0.11 -3.10 0.15 0.00 0.00 0.00 0.00 36.38 33.32 3i56 s VAL 159 CO 0.28 -0.04 1.14 0.00 0.00 0.00 0.00 175.10 176.48 3i56 s ALA 160 N -1.48 1.66 -0.43 5.51 0.00 -0.94 -2.64 121.76 123.44 3i56 s ALA 160 Ca 0.78 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3i56 s ALA 160 Cb -0.34 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3i56 s ALA 160 CO 0.37 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 174.14 3i56 n GLY 161 N -2.10 0.24 3.67 0.00 0.00 -1.26 -2.06 105.19 103.68 3i56 n GLY 161 Ca 0.07 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3i56 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 162 N -1.17 0.13 2.48 -0.02 0.00 -1.26 -3.62 105.19 101.73 3i56 n GLY 162 Ca -0.06 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 3i56 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 163 N 1.08 -0.11 0.18 -0.02 0.00 -1.26 -4.92 105.19 100.14 3i56 n GLY 163 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 3i56 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i56 h ARG 164 N -0.69 0.32 0.00 1.61 2.43 -1.87 -3.12 114.38 113.06 3i56 h ARG 164 Ca -0.33 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 3i56 h ARG 164 Cb 1.23 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3i56 h ARG 164 CO 0.37 0.80 -0.23 1.15 -1.51 0.00 0.00 179.97 180.54 3i56 h THR 165 N 0.24 0.91 -0.61 0.20 2.02 -1.91 -3.32 112.91 110.44 3i56 h THR 165 Ca 0.00 -0.86 0.11 0.00 0.77 0.00 0.00 66.41 66.43 3i56 h THR 165 Cb 1.06 1.50 -0.09 0.00 -1.74 0.00 0.00 68.15 68.89 3i56 h THR 165 CO 0.09 0.22 0.15 0.44 0.37 0.00 0.00 175.52 176.80 3i56 h ASP 166 N 0.00 0.04 -3.34 4.18 3.32 -1.95 -3.41 116.42 115.26 3i56 h ASP 166 Ca -0.00 0.11 -0.56 0.00 0.02 0.00 0.00 57.03 56.59 3i56 h ASP 166 Cb 0.48 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 3i56 h ASP 166 CO 0.03 0.03 0.30 -0.75 -1.72 0.00 0.00 179.24 177.13 3i56 s LYS 167 N -6.10 4.40 0.63 3.56 2.20 -1.25 -5.05 119.74 118.12 3i56 s LYS 167 Ca -0.13 1.08 -0.15 0.00 -0.36 0.00 0.00 55.97 56.41 3i56 s LYS 167 Cb 0.18 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 3i56 s LYS 167 CO 0.74 -0.15 1.08 -1.25 -0.36 0.00 0.00 175.35 175.42 3i56 s PRO 168 N 1.49 3.06 0.51 4.03 0.04 -1.26 -4.93 135.00 137.94 3i56 s PRO 168 Ca 0.41 1.29 0.28 0.00 0.04 0.00 0.00 61.00 63.03 3i56 s PRO 168 Cb -0.18 -1.99 1.33 0.00 0.04 0.00 0.00 34.50 33.70 3i56 s PRO 168 CO 0.18 -1.03 2.00 0.74 0.04 0.00 0.00 177.00 178.92 3i56 h PHE 169 N 0.21 0.00 0.00 0.56 -1.00 -1.97 -3.46 116.94 111.29 3i56 h PHE 169 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 3i56 h PHE 169 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 3i56 h PHE 169 CO 0.57 0.13 0.00 0.28 -1.61 0.00 0.00 178.31 177.68 3i56 n VAL 170 N -3.44 0.00 -4.37 -0.55 0.31 -1.26 -4.61 118.33 104.41 3i56 n VAL 170 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.05 3i56 n VAL 170 Cb 0.30 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.11 3i56 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3i56 s LYS 171 N 0.00 1.36 0.47 5.55 -2.85 -1.26 -5.04 119.74 117.98 3i56 s LYS 171 Ca 0.00 -1.35 0.17 0.00 -1.00 0.00 0.00 55.97 53.78 3i56 s LYS 171 Cb 0.00 -1.75 1.15 0.00 -2.06 0.00 0.00 37.83 35.17 3i56 s LYS 171 CO 0.00 0.40 2.02 0.00 0.10 0.00 0.00 175.35 177.87 3i56 h ALA 172 N 3.74 2.11 -0.13 0.59 0.00 -2.01 -2.05 119.26 121.52 3i56 h ALA 172 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i56 h ALA 172 Cb 1.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3i56 h ALA 172 CO 0.42 -0.22 0.07 0.78 0.00 0.00 0.00 179.25 180.29 3i56 h GLY 173 N 0.25 0.18 1.64 0.00 0.00 -1.96 -0.65 103.07 102.53 3i56 h GLY 173 Ca 0.22 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.25 3i56 h GLY 173 CO -0.04 0.07 -0.96 3.43 0.00 0.00 0.00 176.54 179.04 3i56 h ASN 174 N 0.18 0.42 -0.20 0.19 2.35 -1.62 -2.91 115.58 113.98 3i56 h ASN 174 Ca 0.05 -0.35 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 3i56 h ASN 174 Cb 0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3i56 h ASN 174 CO -0.01 1.17 -0.37 0.50 -1.65 0.00 0.00 177.43 177.07 3i56 h LYS 175 N 0.17 0.73 -0.05 0.81 3.11 -1.39 -2.88 116.57 117.07 3i56 h LYS 175 Ca -0.07 -0.36 0.03 0.00 -2.81 0.00 0.00 60.65 57.44 3i56 h LYS 175 Cb 1.61 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.80 3i56 h LYS 175 CO 0.16 0.98 -0.20 1.25 -2.81 0.00 0.00 179.45 178.82 3i56 h HIS 176 N 0.60 -0.53 -0.92 1.91 2.76 -1.08 -0.06 115.15 117.83 3i56 h HIS 176 Ca 0.06 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3i56 h HIS 176 Cb 0.90 0.24 -0.04 0.00 1.55 0.00 0.00 27.41 30.06 3i56 h HIS 176 CO 0.05 -0.28 0.56 0.45 -1.30 0.00 0.00 177.93 177.40 3i56 h HIS 177 N -0.30 1.20 -0.18 5.26 3.86 -1.44 -1.60 115.15 121.96 3i56 h HIS 177 Ca 0.07 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 3i56 h HIS 177 Cb 0.40 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3i56 h HIS 177 CO -0.27 0.79 -0.13 -0.22 0.86 0.00 0.00 177.93 178.97 3i56 h LYS 178 N 1.27 0.40 0.00 2.45 3.64 -1.25 -3.06 116.57 120.01 3i56 h LYS 178 Ca 0.33 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3i56 h LYS 178 Cb -0.07 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3i56 h LYS 178 CO -0.06 0.73 -0.11 1.98 -2.27 0.00 0.00 179.45 179.72 3i56 h MET 179 N 0.06 0.00 0.00 1.90 4.05 -0.77 -1.65 114.93 118.52 3i56 h MET 179 Ca 0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3i56 h MET 179 Cb 0.64 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 3i56 h MET 179 CO 0.03 0.11 0.00 1.17 0.23 0.00 0.00 176.91 178.46 3i56 n LYS 180 N -4.20 0.14 -0.41 0.39 4.81 -0.62 -1.93 118.16 116.34 3i56 n LYS 180 Ca -0.03 0.41 0.08 0.00 -0.87 0.00 0.00 58.31 57.90 3i56 n LYS 180 Cb 0.19 -1.78 0.26 0.00 0.02 0.00 0.00 35.03 33.72 3i56 n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i56 n ALA 181 N -1.70 2.72 -2.48 3.14 0.00 -0.62 -4.79 120.51 116.77 3i56 n ALA 181 Ca 0.02 -1.62 -0.24 0.00 0.00 0.00 0.00 53.44 51.60 3i56 n ALA 181 Cb 0.19 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 3i56 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i56 s ARG 182 N -1.78 1.83 -1.06 0.00 1.81 -0.81 -4.65 118.95 114.30 3i56 s ARG 182 Ca 0.39 -2.09 -0.04 0.00 -1.72 0.00 0.00 55.73 52.27 3i56 s ARG 182 Cb 0.26 -0.62 0.30 0.00 -0.45 0.00 0.00 34.95 34.44 3i56 s ARG 182 CO 0.18 -0.41 1.42 0.41 -0.68 0.00 0.00 175.30 176.22 3i56 n GLY 183 N -0.83 5.10 3.13 -3.53 0.00 -1.26 -4.45 105.19 103.35 3i56 n GLY 183 Ca -0.05 -2.67 -0.11 0.00 0.00 0.00 0.00 46.02 43.20 3i56 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i56 s THR 184 N -2.69 0.10 -0.18 2.61 2.01 -1.26 -4.82 115.64 111.40 3i56 s THR 184 Ca 0.31 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 3i56 s THR 184 Cb 0.04 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 3i56 s THR 184 CO 0.09 -0.44 0.22 -0.75 -0.69 0.00 0.00 174.62 173.05 3i56 s LYS 185 N -1.87 4.22 -0.09 4.92 2.47 -1.26 -4.90 119.74 123.23 3i56 s LYS 185 Ca -0.11 -0.05 -0.09 0.00 -1.56 0.00 0.00 55.97 54.16 3i56 s LYS 185 Cb -0.05 -3.43 0.02 0.00 -1.46 0.00 0.00 37.83 32.91 3i56 s LYS 185 CO -0.01 0.24 0.26 -0.46 0.16 0.00 0.00 175.35 175.54 3i56 s TRP 186 N 0.49 -0.27 0.89 4.03 -0.00 -1.26 -4.74 118.94 118.08 3i56 s TRP 186 Ca 0.13 0.66 -0.12 0.00 -0.00 0.00 0.00 56.10 56.77 3i56 s TRP 186 Cb -0.12 0.09 0.12 0.00 -0.00 0.00 0.00 33.47 33.56 3i56 s TRP 186 CO 0.02 -0.15 1.11 -1.25 -0.00 0.00 0.00 176.95 176.68 3i56 s PRO 187 N 0.05 1.35 -0.27 5.86 0.04 -1.26 -5.11 135.00 135.66 3i56 s PRO 187 Ca -0.01 0.50 -0.10 0.00 0.04 0.00 0.00 61.00 61.44 3i56 s PRO 187 Cb -0.02 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 3i56 s PRO 187 CO 0.01 -2.10 0.15 -0.80 0.04 0.00 0.00 177.00 174.30 3i56 s ASN 188 N -3.82 5.79 -0.15 6.66 0.01 -1.26 -5.08 114.94 117.09 3i56 s ASN 188 Ca 0.63 -0.05 -0.12 0.00 -0.71 0.00 0.00 52.86 52.62 3i56 s ASN 188 Cb -0.16 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 3i56 s ASN 188 CO 0.55 -0.03 0.24 -0.69 -1.51 0.00 0.00 177.10 175.66 3i56 s VAL 189 N 1.61 5.34 0.41 1.60 1.01 -1.26 -5.07 120.40 124.04 3i56 s VAL 189 Ca 0.07 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 3i56 s VAL 189 Cb -0.15 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 3i56 s VAL 189 CO 0.08 0.45 1.14 -0.13 0.00 0.00 0.00 175.10 176.64 3i56 s ARG 190 N 0.12 4.05 0.32 2.72 3.00 -1.26 -4.93 118.95 122.97 3i56 s ARG 190 Ca 0.15 1.76 0.02 0.00 0.00 0.00 0.00 55.73 57.66 3i56 s ARG 190 Cb -0.13 -2.62 0.53 0.00 0.00 0.00 0.00 34.95 32.73 3i56 s ARG 190 CO 0.03 -0.30 1.86 0.78 0.00 0.00 0.00 175.30 177.66 3i56 h GLY 191 N 2.55 0.67 2.00 -3.53 0.00 -1.97 -1.58 103.07 101.22 3i56 h GLY 191 Ca -0.49 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3i56 h GLY 191 CO 0.62 0.37 0.00 -2.08 0.00 0.00 0.00 176.54 175.45 3i56 h VAL 192 N 0.60 0.00 -0.02 4.60 2.07 -1.92 0.14 116.25 121.72 3i56 h VAL 192 Ca 0.13 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3i56 h VAL 192 Cb 0.32 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3i56 h VAL 192 CO 0.01 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.36 3i56 n ALA 193 N -1.82 3.00 -2.72 1.67 0.00 -0.60 -4.55 120.51 115.50 3i56 n ALA 193 Ca -0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 53.44 52.58 3i56 n ALA 193 Cb 0.11 -0.82 0.09 0.00 0.00 0.00 0.00 19.45 18.83 3i56 n ALA 193 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i56 n MET 194 N 0.61 0.19 -2.75 0.00 2.81 0.47 -4.99 117.12 113.47 3i56 n MET 194 Ca 0.12 -2.51 -0.26 0.00 -1.81 0.00 0.00 57.70 53.24 3i56 n MET 194 Cb 0.52 -0.47 0.01 0.00 -0.71 0.00 0.00 33.22 32.57 3i56 n MET 194 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3i56 s ASN 195 N -4.46 6.00 0.30 7.83 0.01 -1.26 -2.05 114.94 121.31 3i56 s ASN 195 Ca 0.57 0.67 0.01 0.00 -0.71 0.00 0.00 52.86 53.41 3i56 s ASN 195 Cb -0.04 -1.93 0.55 0.00 0.41 0.00 0.00 41.25 40.25 3i56 s ASN 195 CO 0.37 -0.69 1.89 0.00 -1.51 0.00 0.00 177.10 177.16 3i56 h ALA 196 N 0.23 1.54 -0.32 0.60 0.00 -1.81 -1.76 119.26 117.74 3i56 h ALA 196 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3i56 h ALA 196 Cb 1.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3i56 h ALA 196 CO 0.60 0.29 0.07 -0.24 0.00 0.00 0.00 179.25 179.98 3i56 h VAL 197 N 1.00 1.15 0.00 0.00 3.04 -1.94 -3.19 116.25 116.32 3i56 h VAL 197 Ca 0.42 -0.54 -0.17 0.00 -1.01 0.00 0.00 66.70 65.40 3i56 h VAL 197 Cb 0.30 0.84 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 3i56 h VAL 197 CO -0.18 0.19 -1.16 0.44 -1.01 0.00 0.00 177.57 175.85 3i56 h ASP 198 N 0.45 0.00 -4.77 3.17 3.32 -1.62 -0.99 116.42 115.98 3i56 h ASP 198 Ca 0.11 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3i56 h ASP 198 Cb 0.18 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.53 3i56 h ASP 198 CO -0.00 0.63 0.02 -2.28 -1.72 0.00 0.00 179.24 175.89 3i56 s HIS 199 N -2.88 -0.53 0.61 4.55 2.46 -1.06 -4.43 115.29 114.00 3i56 s HIS 199 Ca -0.01 1.00 0.31 0.00 0.47 0.00 0.00 55.06 56.83 3i56 s HIS 199 Cb 0.08 0.29 1.78 0.00 -0.13 0.00 0.00 32.58 34.60 3i56 s HIS 199 CO 0.80 -0.49 2.14 -1.35 -2.47 0.00 0.00 174.74 173.37 3i56 h PRO 200 N 3.71 0.00 -0.20 2.88 0.11 -1.85 -0.56 132.00 136.10 3i56 h PRO 200 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i56 h PRO 200 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i56 h PRO 200 CO 0.34 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.32 3i56 n PHE 201 N -3.62 0.23 -1.86 0.65 0.99 -1.26 -4.50 117.46 108.08 3i56 n PHE 201 Ca 0.00 -0.12 -0.31 0.00 -0.00 0.00 0.00 57.45 57.02 3i56 n PHE 201 Cb 0.27 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.76 3i56 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3i56 s GLY 202 N -1.75 1.67 0.00 1.37 0.00 -0.22 -4.00 107.32 104.39 3i56 s GLY 202 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3i56 s GLY 202 CO 0.31 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.21 3i56 n GLY 203 N -2.70 -0.66 0.39 0.20 0.00 -0.87 -3.88 105.19 97.67 3i56 n GLY 203 Ca 0.06 -2.16 0.05 0.00 0.00 0.00 0.00 46.02 43.97 3i56 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 204 N 0.00 -1.92 0.09 -0.02 0.00 -1.26 -4.66 105.19 97.42 3i56 n GLY 204 Ca 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.67 3i56 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 205 N -2.64 -1.25 3.30 -0.02 0.00 -1.26 -4.91 105.19 98.41 3i56 n GLY 205 Ca -0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 3i56 n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i56 s ARG 206 N -3.14 1.21 -0.42 1.61 1.70 -1.26 -5.12 118.95 113.53 3i56 s ARG 206 Ca -0.03 -1.54 -0.25 0.00 -0.47 0.00 0.00 55.73 53.43 3i56 s ARG 206 Cb 0.10 -0.84 0.02 0.00 -0.57 0.00 0.00 34.95 33.66 3i56 s ARG 206 CO 0.82 0.10 0.92 -0.65 -1.08 0.00 0.00 175.30 175.41 3i56 s GLN 207 N -3.72 3.66 -0.08 3.89 -0.21 -1.26 -4.97 119.66 116.97 3i56 s GLN 207 Ca 0.21 0.33 -0.30 0.00 0.02 0.00 0.00 55.36 55.62 3i56 s GLN 207 Cb 0.02 -3.87 0.10 0.00 1.00 0.00 0.00 33.01 30.26 3i56 s GLN 207 CO 0.04 -1.10 0.88 -3.38 -2.12 0.00 0.00 175.29 169.61 3i56 s HIS 208 N 3.62 -0.44 0.54 0.91 -3.43 -1.26 -5.09 115.29 110.12 3i56 s HIS 208 Ca 0.37 0.65 -0.18 0.00 -0.80 0.00 0.00 55.06 55.10 3i56 s HIS 208 Cb -0.11 0.47 -0.06 0.00 -1.43 0.00 0.00 32.58 31.44 3i56 s HIS 208 CO 0.23 -0.48 1.05 -1.25 -2.00 0.00 0.00 174.74 172.29 3i56 s PRO 209 N -1.71 3.57 0.09 -0.38 0.04 -1.26 -4.88 135.00 130.47 3i56 s PRO 209 Ca -0.02 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 3i56 s PRO 209 Cb -0.00 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 3i56 s PRO 209 CO 0.01 -0.61 1.31 0.78 0.04 0.00 0.00 177.00 178.53 3i56 h GLY 210 N 1.01 0.78 -0.94 0.56 0.00 -1.80 -3.47 103.07 99.21 3i56 h GLY 210 Ca -0.48 -1.01 -0.60 0.00 0.00 0.00 0.00 47.33 45.23 3i56 h GLY 210 CO 0.58 0.91 -0.51 0.54 0.00 0.00 0.00 176.54 178.06 3i56 s LYS 211 N -3.88 2.03 0.29 4.80 1.02 -1.26 -5.11 119.74 117.62 3i56 s LYS 211 Ca -0.11 -2.26 -0.30 0.00 0.02 0.00 0.00 55.97 53.32 3i56 s LYS 211 Cb 0.08 -0.89 -0.10 0.00 -0.52 0.00 0.00 37.83 36.39 3i56 s LYS 211 CO 0.87 -0.45 1.45 -1.25 -0.92 0.00 0.00 175.35 175.05 3i56 s PRO 212 N -3.75 4.23 0.53 -1.68 0.04 -1.26 -4.93 135.00 128.18 3i56 s PRO 212 Ca 0.18 2.38 0.20 0.00 0.04 0.00 0.00 61.00 63.79 3i56 s PRO 212 Cb 0.02 -3.07 1.36 0.00 0.04 0.00 0.00 34.50 32.85 3i56 s PRO 212 CO 0.11 -0.44 2.12 0.87 0.04 0.00 0.00 177.00 179.70 3i56 h LYS 213 N 4.45 0.00 -6.36 4.56 1.57 -1.95 -3.42 116.57 115.43 3i56 h LYS 213 Ca -0.47 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 3i56 h LYS 213 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 3i56 h LYS 213 CO 0.74 0.00 1.02 -1.12 -0.57 0.00 0.00 179.45 179.52 3i56 s SER 214 N -6.76 6.56 0.08 0.86 0.01 -1.26 -1.67 113.70 111.52 3i56 s SER 214 Ca -0.05 1.24 0.04 0.00 1.31 0.00 0.00 55.95 58.50 3i56 s SER 214 Cb 0.17 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 3i56 s SER 214 CO 0.67 -1.17 0.02 -0.51 0.41 0.00 0.00 173.24 172.66 3i56 s ILE 215 N 4.71 4.18 0.67 1.44 1.10 -0.21 -4.96 121.20 128.13 3i56 s ILE 215 Ca 0.60 -0.91 -0.15 0.00 -0.51 0.00 0.00 60.65 59.68 3i56 s ILE 215 Cb -0.18 -3.00 0.01 0.00 0.15 0.00 0.00 42.46 39.44 3i56 s ILE 215 CO 0.26 0.13 1.14 -0.55 -2.11 0.00 0.00 174.94 173.80 3i56 s SER 216 N -2.32 4.91 0.29 4.50 0.15 -1.26 -0.86 113.70 119.11 3i56 s SER 216 Ca 0.27 2.10 0.04 0.00 0.70 0.00 0.00 55.95 59.07 3i56 s SER 216 Cb -0.12 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 62.08 3i56 s SER 216 CO 0.19 -1.77 1.72 0.03 1.20 0.00 0.00 173.24 174.62 3i56 h ARG 217 N 0.02 0.37 0.00 5.44 2.47 -1.96 -2.92 114.38 117.80 3i56 h ARG 217 Ca -0.47 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.10 3i56 h ARG 217 Cb 1.26 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 3i56 h ARG 217 CO 0.53 0.65 0.00 0.09 0.56 0.00 0.00 179.97 181.80 3i56 n ASN 218 N -4.09 0.00 -4.77 7.04 3.02 -1.26 -4.89 115.26 110.30 3i56 n ASN 218 Ca -0.01 -0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 53.25 3i56 n ASN 218 Cb 0.43 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.59 3i56 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i56 s ALA 219 N -2.00 3.33 0.52 5.41 0.00 -1.10 -5.01 121.76 122.90 3i56 s ALA 219 Ca 0.41 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.48 3i56 s ALA 219 Cb 0.19 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 3i56 s ALA 219 CO 0.32 -0.85 1.02 -1.25 0.00 0.00 0.00 175.76 175.01 3i56 s PRO 220 N -2.17 3.72 -0.19 0.00 0.04 -1.26 -4.71 135.00 130.42 3i56 s PRO 220 Ca 0.55 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 3i56 s PRO 220 Cb -0.40 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 3i56 s PRO 220 CO 0.52 -0.48 1.72 -1.25 0.04 0.00 0.00 177.00 177.54 3i56 s PRO 221 N -3.67 3.76 0.00 0.56 0.04 -1.26 -1.15 135.00 133.27 3i56 s PRO 221 Ca 0.64 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.48 3i56 s PRO 221 Cb -0.14 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.31 3i56 s PRO 221 CO 0.27 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.37 3i56 n GLY 222 N 4.77 1.27 0.00 0.56 0.00 -1.26 -4.88 105.19 105.65 3i56 n GLY 222 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i56 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i56 n ARG 223 N 0.00 2.34 -2.34 1.61 0.63 -0.30 -4.73 116.66 113.87 3i56 n ARG 223 Ca 0.00 -0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 3i56 n ARG 223 Cb 0.00 -1.02 -0.04 0.00 0.45 0.00 0.00 32.46 31.85 3i56 n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i56 s LYS 224 N -2.03 3.17 0.26 -0.14 2.20 -0.82 -4.90 119.74 117.48 3i56 s LYS 224 Ca -0.00 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.79 3i56 s LYS 224 Cb 0.00 -5.25 -0.04 0.00 -1.51 0.00 0.00 37.83 31.03 3i56 s LYS 224 CO 0.03 -2.72 0.14 0.14 -0.36 0.00 0.00 175.35 172.57 3i56 s VAL 225 N 7.14 0.27 0.00 4.02 -7.23 -1.26 -5.00 120.40 118.34 3i56 s VAL 225 Ca 0.56 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3i56 s VAL 225 Cb -0.02 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.37 3i56 s VAL 225 CO -0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 3i56 n GLY 226 N -0.45 1.20 3.42 2.32 0.00 -1.26 -4.49 105.19 105.92 3i56 n GLY 226 Ca 0.01 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 3i56 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i56 s ASP 227 N -4.00 6.24 -0.14 1.61 1.01 -0.67 -4.98 116.67 115.74 3i56 s ASP 227 Ca 0.00 -1.31 -0.29 0.00 0.71 0.00 0.00 52.55 51.65 3i56 s ASP 227 Cb 0.00 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 3i56 s ASP 227 CO 0.00 -1.26 1.36 -0.63 0.21 0.00 0.00 175.17 174.85 3i56 s ILE 228 N 3.32 4.11 -1.59 0.77 1.01 -1.26 -1.04 121.20 126.51 3i56 s ILE 228 Ca 0.19 1.34 -0.11 0.00 0.00 0.00 0.00 60.65 62.07 3i56 s ILE 228 Cb -0.18 -3.86 0.11 0.00 0.01 0.00 0.00 42.46 38.53 3i56 s ILE 228 CO 0.06 -0.12 0.28 0.00 0.00 0.00 0.00 174.94 175.15 3i56 n ALA 229 N 6.75 -1.53 -1.93 9.38 0.00 -0.04 -4.86 120.51 128.27 3i56 n ALA 229 Ca 0.15 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 3i56 n ALA 229 Cb 0.44 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 3i56 n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i56 s SER 230 N -3.69 6.60 0.39 0.00 1.04 -1.26 -4.91 113.70 111.88 3i56 s SER 230 Ca 0.39 2.63 0.25 0.00 0.48 0.00 0.00 55.95 59.69 3i56 s SER 230 Cb -0.22 -2.60 0.60 0.00 0.10 0.00 0.00 66.02 63.90 3i56 s SER 230 CO 0.94 -0.80 1.70 0.11 0.98 0.00 0.00 173.24 176.17 3i56 h LYS 231 N 6.43 0.00 -1.54 4.02 1.57 -1.98 -3.47 116.57 121.59 3i56 h LYS 231 Ca -0.43 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 58.65 3i56 h LYS 231 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 3i56 h LYS 231 CO 0.88 0.00 0.79 -0.98 -0.57 0.00 0.00 179.45 179.58 3i56 s ARG 232 N -3.25 0.47 0.25 3.15 1.70 -1.26 -5.20 118.95 114.82 3i56 s ARG 232 Ca 0.07 -0.26 0.01 0.00 -0.47 0.00 0.00 55.73 55.08 3i56 s ARG 232 Cb 0.07 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 3i56 s ARG 232 CO 0.63 -0.22 0.13 0.95 -1.08 0.00 0.00 175.30 175.71 3i56 s THR 233 N -2.52 0.23 0.02 4.99 -4.23 -1.26 -5.14 115.64 107.73 3i56 s THR 233 Ca 0.14 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 3i56 s THR 233 Cb 0.04 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3i56 s THR 233 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3i56 n GLY 234 N -0.41 -1.52 0.25 3.99 0.00 -1.26 -4.87 105.19 101.37 3i56 n GLY 234 Ca 0.02 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.28 3i56 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i56 n ARG 235 N -1.64 0.51 -1.44 1.61 1.74 -1.26 -5.04 116.66 111.14 3i56 n ARG 235 Ca -0.00 0.22 -0.29 0.00 -0.77 0.00 0.00 57.85 57.00 3i56 n ARG 235 Cb 0.04 -1.36 0.18 0.00 -1.02 0.00 0.00 32.46 30.30 3i56 n ARG 235 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3i56 s GLY 236 N -5.49 1.61 0.00 -0.13 0.00 -1.26 -5.29 107.32 96.76 3i56 s GLY 236 Ca -0.33 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.65 3i56 s GLY 236 CO 0.43 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 174.09