#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b56 h VAL 4 N 0.00 0.90 -0.23 2.28 3.04 -1.98 -0.96 116.25 119.30 1b56 h VAL 4 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 1b56 h VAL 4 Cb 0.00 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 1b56 h VAL 4 CO 0.00 0.00 0.16 1.56 -1.01 0.00 0.00 177.57 178.28 1b56 h GLN 5 N 0.00 0.13 0.00 4.17 4.20 -1.99 -0.43 115.11 121.19 1b56 h GLN 5 Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1b56 h GLN 5 Cb 0.30 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1b56 h GLN 5 CO -0.00 0.09 0.00 1.04 -0.67 0.00 0.00 178.83 179.29 1b56 n GLN 6 N -4.49 0.07 0.00 1.46 6.02 -0.36 -1.15 117.38 118.93 1b56 n GLN 6 Ca 0.02 0.27 0.11 0.00 -0.01 0.00 0.00 57.00 57.38 1b56 n GLN 6 Cb 0.22 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 1b56 n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1b56 n LEU 7 N -1.35 1.19 -4.77 1.08 4.77 -0.17 -4.95 117.00 112.80 1b56 n LEU 7 Ca 0.03 -0.50 -0.39 0.00 -0.03 0.00 0.00 56.01 55.12 1b56 n LEU 7 Cb 0.07 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1b56 n LEU 7 CO 0.06 0.26 0.99 -1.61 -1.33 0.00 0.00 177.39 175.76 1b56 s GLU 8 N -2.86 3.85 0.00 3.23 2.02 -0.30 -4.65 118.70 119.98 1b56 s GLU 8 Ca 0.11 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.32 1b56 s GLU 8 Cb 0.17 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1b56 s GLU 8 CO 0.77 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1b56 n GLY 9 N 0.64 2.14 3.65 -1.39 0.00 -0.73 -4.97 105.19 104.53 1b56 n GLY 9 Ca 0.04 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 1b56 n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b56 s ARG 10 N -1.61 4.11 0.04 1.61 3.52 -1.26 -2.05 118.95 123.32 1b56 s ARG 10 Ca 0.00 0.05 0.07 0.00 -0.13 0.00 0.00 55.73 55.72 1b56 s ARG 10 Cb 0.00 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 1b56 s ARG 10 CO 0.00 -0.08 -0.16 -1.58 -0.81 0.00 0.00 175.30 172.67 1b56 s TRP 11 N 1.45 2.61 -0.01 5.12 0.52 -0.10 0.13 118.94 128.65 1b56 s TRP 11 Ca 0.15 -0.22 0.05 0.00 0.02 0.00 0.00 56.10 56.10 1b56 s TRP 11 Cb -0.15 -1.48 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 1b56 s TRP 11 CO 0.08 0.28 -0.16 -0.98 0.02 0.00 0.00 176.95 176.19 1b56 s ARG 12 N -1.51 2.33 -0.05 4.98 1.70 0.46 -0.28 118.95 126.59 1b56 s ARG 12 Ca 0.15 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.30 1b56 s ARG 12 Cb -0.11 -2.29 -0.04 0.00 -0.57 0.00 0.00 34.95 31.94 1b56 s ARG 12 CO 0.06 0.59 1.38 -1.17 -1.08 0.00 0.00 175.30 175.08 1b56 s LEU 13 N -1.00 4.29 -0.07 -1.89 2.96 -1.16 -0.60 118.68 121.21 1b56 s LEU 13 Ca 0.13 2.00 0.12 0.00 -0.22 0.00 0.00 54.13 56.16 1b56 s LEU 13 Cb -0.11 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.86 1b56 s LEU 13 CO 0.02 -0.73 0.17 1.33 -1.32 0.00 0.00 176.35 175.82 1b56 n VAL 14 N 4.89 0.40 -3.62 1.68 0.24 -0.01 -4.93 118.33 116.98 1b56 n VAL 14 Ca 0.13 -0.40 -0.16 0.00 -2.04 0.00 0.00 64.34 61.88 1b56 n VAL 14 Cb 0.44 -0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 32.52 1b56 n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b56 s ASP 15 N -3.97 -0.54 0.04 -1.34 2.15 -1.15 -4.99 116.67 106.86 1b56 s ASP 15 Ca -0.05 0.72 0.03 0.00 0.43 0.00 0.00 52.55 53.68 1b56 s ASP 15 Cb 0.06 0.69 -0.02 0.00 -0.30 0.00 0.00 42.92 43.35 1b56 s ASP 15 CO 0.52 -0.45 -0.09 -0.55 -0.17 0.00 0.00 175.17 174.43 1b56 s SER 16 N -0.77 0.98 -0.25 -0.34 0.15 -1.26 -0.59 113.70 111.62 1b56 s SER 16 Ca -0.08 -0.50 -0.12 0.00 0.70 0.00 0.00 55.95 55.95 1b56 s SER 16 Cb -0.02 0.00 0.09 0.00 -1.71 0.00 0.00 66.02 64.38 1b56 s SER 16 CO 0.06 -0.14 0.58 -0.75 1.20 0.00 0.00 173.24 174.19 1b56 s LYS 17 N -1.41 0.55 0.00 5.44 2.20 -0.47 -4.91 119.74 121.14 1b56 s LYS 17 Ca -0.07 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1b56 s LYS 17 Cb -0.09 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1b56 s LYS 17 CO 0.01 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1b56 n GLY 18 N 4.77 2.45 0.28 5.54 0.00 -1.26 0.71 105.19 117.68 1b56 n GLY 18 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1b56 n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1b56 h PHE 19 N 0.00 0.68 -0.42 1.61 3.57 -1.91 -1.41 116.94 119.06 1b56 h PHE 19 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1b56 h PHE 19 Cb 0.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1b56 h PHE 19 CO 0.00 0.22 0.09 0.22 -2.23 0.00 0.00 178.31 176.61 1b56 h ASP 20 N 0.62 0.57 -0.46 0.41 3.58 -1.94 -1.72 116.42 117.48 1b56 h ASP 20 Ca 0.39 -0.09 -0.12 0.00 0.42 0.00 0.00 57.03 57.62 1b56 h ASP 20 Cb 0.45 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1b56 h ASP 20 CO -0.30 0.59 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.14 1b56 h GLU 21 N 0.61 0.96 0.55 0.28 4.39 -1.63 -2.30 114.58 117.44 1b56 h GLU 21 Ca 0.14 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1b56 h GLU 21 Cb 0.25 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1b56 h GLU 21 CO -0.00 1.05 -0.26 -0.92 -1.16 0.00 0.00 179.01 177.72 1b56 h TYR 22 N 0.84 -0.69 -0.86 4.33 3.20 -1.01 0.92 116.97 123.71 1b56 h TYR 22 Ca 0.12 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.15 1b56 h TYR 22 Cb 0.74 0.23 -0.11 0.00 1.54 0.00 0.00 36.73 39.13 1b56 h TYR 22 CO 0.05 -0.37 0.41 0.52 -1.64 0.00 0.00 178.16 177.12 1b56 h MET 23 N -0.89 0.50 -0.40 1.82 2.86 -1.34 0.32 114.93 117.80 1b56 h MET 23 Ca -0.08 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1b56 h MET 23 Cb 0.62 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1b56 h MET 23 CO 0.12 0.33 0.25 0.87 1.06 0.00 0.00 176.91 179.54 1b56 h LYS 24 N 0.51 0.53 -0.78 1.72 1.57 -1.14 -1.03 116.57 117.96 1b56 h LYS 24 Ca 0.50 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.31 1b56 h LYS 24 Cb 0.82 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 1b56 h LYS 24 CO -0.44 0.38 0.51 1.49 -0.57 0.00 0.00 179.45 180.83 1b56 h GLU 25 N 0.53 0.78 -0.05 3.15 4.57 0.21 -1.06 114.58 122.71 1b56 h GLU 25 Ca 0.14 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.14 1b56 h GLU 25 Cb -0.02 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1b56 h GLU 25 CO -0.03 0.52 -0.58 -0.07 -1.18 0.00 0.00 179.01 177.67 1b56 h LEU 26 N 0.81 0.17 0.00 1.64 3.38 0.08 -3.47 115.31 117.91 1b56 h LEU 26 Ca 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1b56 h LEU 26 Cb 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1b56 h LEU 26 CO -0.12 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1b56 n GLY 27 N 0.19 1.20 3.75 0.83 0.00 -0.40 -5.09 105.19 105.67 1b56 n GLY 27 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1b56 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b56 s VAL 28 N -2.00 2.75 0.88 1.61 1.01 -0.93 -5.02 120.40 118.70 1b56 s VAL 28 Ca 0.00 0.64 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 1b56 s VAL 28 Cb 0.00 -3.41 0.12 0.00 0.00 0.00 0.00 36.38 33.10 1b56 s VAL 28 CO 0.00 0.11 1.20 -0.83 0.00 0.00 0.00 175.10 175.58 1b56 s GLY 29 N 0.25 1.63 0.25 4.51 0.00 -1.26 -4.65 107.32 108.03 1b56 s GLY 29 Ca 0.57 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1b56 s GLY 29 CO 0.44 -0.17 1.80 0.16 0.00 0.00 0.00 173.10 175.32 1b56 h ILE 30 N -1.33 0.87 -0.31 0.90 -0.00 -1.96 0.36 117.51 116.03 1b56 h ILE 30 Ca -0.47 -0.25 0.06 0.00 -0.00 0.00 0.00 64.86 64.20 1b56 h ILE 30 Cb 1.31 0.07 -0.08 0.00 -0.00 0.00 0.00 36.82 38.12 1b56 h ILE 30 CO 0.58 0.13 -0.46 0.00 -0.00 0.00 0.00 178.15 178.40 1b56 h ALA 31 N 1.47 -0.58 -0.10 0.16 0.00 -1.99 0.57 119.26 118.79 1b56 h ALA 31 Ca 0.40 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.13 1b56 h ALA 31 Cb 0.42 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1b56 h ALA 31 CO -0.27 -0.94 -0.77 -0.07 0.00 0.00 0.00 179.25 177.21 1b56 h LEU 32 N -0.41 0.66 -1.12 0.00 4.07 -1.88 -2.58 115.31 114.04 1b56 h LEU 32 Ca 0.10 -0.44 0.03 0.00 0.08 0.00 0.00 57.88 57.65 1b56 h LEU 32 Cb 0.61 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.10 1b56 h LEU 32 CO -0.52 1.21 0.59 0.03 -1.08 0.00 0.00 178.44 178.67 1b56 h ARG 33 N 0.37 1.12 -0.23 1.13 3.08 -0.31 0.10 114.38 119.64 1b56 h ARG 33 Ca -0.04 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 1b56 h ARG 33 Cb 1.36 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 1b56 h ARG 33 CO 0.14 0.74 -0.40 0.87 -1.07 0.00 0.00 179.97 180.26 1b56 h LYS 34 N 1.15 0.67 0.20 0.04 1.79 0.20 -0.23 116.57 120.40 1b56 h LYS 34 Ca 0.35 -0.42 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1b56 h LYS 34 Cb -0.02 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1b56 h LYS 34 CO -0.10 1.04 -0.14 1.98 -1.08 0.00 0.00 179.45 181.15 1b56 h MET 35 N 0.38 -0.33 -0.14 3.15 4.05 -1.09 -0.16 114.93 120.80 1b56 h MET 35 Ca 0.02 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1b56 h MET 35 Cb 0.99 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.86 1b56 h MET 35 CO 0.09 -0.22 0.09 0.78 0.23 0.00 0.00 176.91 177.88 1b56 h GLY 36 N -0.34 0.20 2.00 1.39 0.00 -0.99 0.56 103.07 105.89 1b56 h GLY 36 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1b56 h GLY 36 CO 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 176.54 176.61 1b56 h ALA 37 N 1.04 1.07 -0.00 3.60 0.00 -0.81 -3.00 119.26 121.16 1b56 h ALA 37 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1b56 h ALA 37 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1b56 h ALA 37 CO -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.20 1b56 n MET 38 N -3.19 2.85 -2.97 0.00 0.00 -0.09 -5.00 117.12 108.73 1b56 n MET 38 Ca -0.03 -0.31 -0.39 0.00 0.00 0.00 0.00 57.70 56.97 1b56 n MET 38 Cb 0.10 -0.82 -0.06 0.00 0.00 0.00 0.00 33.22 32.45 1b56 n MET 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1b56 s ALA 39 N -0.69 3.44 -0.79 3.17 0.00 0.19 -4.98 121.76 122.10 1b56 s ALA 39 Ca 0.02 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.37 1b56 s ALA 39 Cb 0.02 -2.97 0.23 0.00 0.00 0.00 0.00 23.12 20.39 1b56 s ALA 39 CO 0.05 0.28 0.77 1.63 0.00 0.00 0.00 175.76 178.49 1b56 n LYS 40 N 1.66 2.60 -1.24 0.00 5.02 -1.26 -4.93 118.16 120.00 1b56 n LYS 40 Ca -0.05 -4.56 -0.30 0.00 -2.02 0.00 0.00 58.31 51.38 1b56 n LYS 40 Cb 0.49 -2.34 0.14 0.00 -0.02 0.00 0.00 35.03 33.29 1b56 n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1b56 s PRO 41 N -1.91 1.25 -0.03 1.97 0.04 -1.26 -4.76 135.00 130.29 1b56 s PRO 41 Ca 0.31 0.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.12 1b56 s PRO 41 Cb 0.02 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1b56 s PRO 41 CO -0.08 -2.23 0.02 -0.51 0.04 0.00 0.00 177.00 174.24 1b56 s ASP 42 N -3.48 5.29 -0.26 6.66 1.11 0.44 -3.00 116.67 123.43 1b56 s ASP 42 Ca 0.63 0.08 0.02 0.00 0.18 0.00 0.00 52.55 53.46 1b56 s ASP 42 Cb -0.18 -1.45 0.07 0.00 1.07 0.00 0.00 42.92 42.43 1b56 s ASP 42 CO 0.57 0.31 -0.06 0.00 1.18 0.00 0.00 175.17 177.16 1b56 s ILE 44 N 1.20 5.27 -0.14 0.00 1.09 0.23 -0.93 121.20 127.92 1b56 s ILE 44 Ca -0.05 0.43 0.02 0.00 -1.10 0.00 0.00 60.65 59.95 1b56 s ILE 44 Cb -0.19 -3.62 0.01 0.00 -1.06 0.00 0.00 42.46 37.60 1b56 s ILE 44 CO -0.06 0.27 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.22 1b56 s ILE 45 N 1.38 2.21 0.02 2.92 1.01 -0.87 -0.58 121.20 127.29 1b56 s ILE 45 Ca 0.13 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1b56 s ILE 45 Cb -0.15 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1b56 s ILE 45 CO 0.07 0.54 -0.07 0.42 0.00 0.00 0.00 174.94 175.90 1b56 s THR 46 N 0.82 0.49 0.11 2.92 -4.23 -0.84 -1.77 115.64 113.14 1b56 s THR 46 Ca -0.07 -0.72 0.08 0.00 -1.18 0.00 0.00 61.69 59.80 1b56 s THR 46 Cb -0.15 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 1b56 s THR 46 CO -0.02 -0.17 -0.19 0.00 -0.54 0.00 0.00 174.62 173.71 1b56 s ASP 48 N -2.01 2.72 0.17 0.00 -1.08 0.30 -5.00 116.67 111.78 1b56 s ASP 48 Ca 0.06 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.12 1b56 s ASP 48 Cb -0.09 -0.23 0.00 0.00 -1.46 0.00 0.00 42.92 41.14 1b56 s ASP 48 CO 0.04 -0.32 0.00 0.61 0.52 0.00 0.00 175.17 176.02 1b56 n GLY 49 N 4.22 1.66 0.00 2.66 0.00 -1.26 -1.03 105.19 111.44 1b56 n GLY 49 Ca 0.10 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1b56 n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b56 n LYS 50 N 0.00 3.63 -2.53 1.61 5.02 -1.26 -5.00 118.16 119.62 1b56 n LYS 50 Ca 0.00 -0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1b56 n LYS 50 Cb 0.00 -0.78 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 1b56 n LYS 50 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1b56 s ASN 51 N -1.59 6.97 -0.09 4.39 3.84 -0.20 -1.39 114.94 126.87 1b56 s ASN 51 Ca 0.00 2.11 -0.06 0.00 0.21 0.00 0.00 52.86 55.12 1b56 s ASN 51 Cb 0.01 -2.60 0.03 0.00 -0.55 0.00 0.00 41.25 38.14 1b56 s ASN 51 CO 0.06 -0.34 0.22 -0.22 -2.79 0.00 0.00 177.10 174.02 1b56 s LEU 52 N -2.17 0.89 -0.03 3.21 0.20 0.13 -0.54 118.68 120.37 1b56 s LEU 52 Ca 0.52 0.45 0.07 0.00 0.69 0.00 0.00 54.13 55.87 1b56 s LEU 52 Cb -0.25 0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 46.19 1b56 s LEU 52 CO 0.32 -0.11 -0.25 -0.89 -0.29 0.00 0.00 176.35 175.13 1b56 s THR 53 N 0.58 2.01 -0.16 3.68 2.01 -0.59 -0.49 115.64 122.68 1b56 s THR 53 Ca -0.04 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.88 1b56 s THR 53 Cb -0.05 -1.68 0.04 0.00 0.01 0.00 0.00 72.50 70.82 1b56 s THR 53 CO -0.03 0.57 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.77 1b56 s ILE 54 N -0.49 1.17 -0.12 1.82 1.01 -0.81 -1.98 121.20 121.81 1b56 s ILE 54 Ca 0.07 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1b56 s ILE 54 Cb -0.11 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 1b56 s ILE 54 CO 0.00 0.16 -0.17 -0.75 0.00 0.00 0.00 174.94 174.18 1b56 s LYS 55 N 1.61 3.26 -0.15 2.79 2.20 0.25 -2.29 119.74 127.41 1b56 s LYS 55 Ca 0.01 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 54.82 1b56 s LYS 55 Cb -0.15 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.63 1b56 s LYS 55 CO -0.08 0.20 -0.01 0.99 -0.36 0.00 0.00 175.35 176.08 1b56 s THR 56 N 0.36 4.11 -0.05 3.43 2.01 0.69 -0.60 115.64 125.59 1b56 s THR 56 Ca -0.14 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1b56 s THR 56 Cb -0.17 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1b56 s THR 56 CO 0.07 0.50 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.79 1b56 s GLU 57 N 0.23 1.28 0.14 4.92 2.02 -0.24 -1.50 118.70 125.56 1b56 s GLU 57 Ca -0.01 -0.30 -0.25 0.00 0.02 0.00 0.00 54.97 54.43 1b56 s GLU 57 Cb -0.13 -1.13 0.07 0.00 0.10 0.00 0.00 34.13 33.03 1b56 s GLU 57 CO 0.02 0.02 0.79 -1.54 0.02 0.00 0.00 175.26 174.57 1b56 s SER 58 N 0.63 -0.35 0.13 -0.19 1.04 0.50 -0.42 113.70 115.03 1b56 s SER 58 Ca -0.11 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.97 1b56 s SER 58 Cb -0.14 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.45 1b56 s SER 58 CO 0.02 -0.94 1.44 0.71 0.98 0.00 0.00 173.24 175.45 1b56 h THR 59 N 2.00 1.28 0.00 2.02 1.35 -2.00 -3.01 112.91 114.55 1b56 h THR 59 Ca -0.25 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 1b56 h THR 59 Cb 1.26 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1b56 h THR 59 CO 0.30 0.53 0.00 -0.07 -0.25 0.00 0.00 175.52 176.03 1b56 h LEU 60 N 0.68 0.00 -7.00 3.87 3.38 -1.96 -3.45 115.31 110.82 1b56 h LEU 60 Ca 0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1b56 h LEU 60 Cb 1.03 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.50 1b56 h LEU 60 CO 0.10 0.00 0.68 -0.75 0.09 0.00 0.00 178.44 178.56 1b56 s LYS 61 N -3.51 0.33 -0.13 1.13 2.47 -1.14 -5.04 119.74 113.86 1b56 s LYS 61 Ca 0.03 0.24 -0.03 0.00 -1.56 0.00 0.00 55.97 54.65 1b56 s LYS 61 Cb 0.09 0.16 0.05 0.00 -1.46 0.00 0.00 37.83 36.67 1b56 s LYS 61 CO 0.48 -0.07 0.06 0.99 0.16 0.00 0.00 175.35 176.97 1b56 s THR 62 N -0.37 0.10 0.26 3.43 2.01 -1.26 -0.37 115.64 119.43 1b56 s THR 62 Ca 0.04 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1b56 s THR 62 Cb -0.03 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1b56 s THR 62 CO -0.07 -0.09 -0.08 -0.89 -0.69 0.00 0.00 174.62 172.80 1b56 s THR 63 N 2.07 1.68 -0.27 -0.82 2.01 -0.56 -4.98 115.64 114.76 1b56 s THR 63 Ca 0.02 -2.15 -0.25 0.00 0.31 0.00 0.00 61.69 59.62 1b56 s THR 63 Cb -0.15 -2.36 0.13 0.00 0.01 0.00 0.00 72.50 70.13 1b56 s THR 63 CO -0.07 -0.36 1.07 -1.58 -0.69 0.00 0.00 174.62 172.99 1b56 s GLN 64 N -3.71 0.47 0.07 4.92 0.74 -1.26 -0.22 119.66 120.66 1b56 s GLN 64 Ca 0.28 0.51 -0.13 0.00 0.05 0.00 0.00 55.36 56.07 1b56 s GLN 64 Cb 0.03 0.23 0.02 0.00 1.10 0.00 0.00 33.01 34.38 1b56 s GLN 64 CO 0.11 -0.07 0.30 -0.59 -0.55 0.00 0.00 175.29 174.49 1b56 s PHE 65 N 0.09 -0.07 0.13 1.67 -0.12 -0.97 -5.02 117.98 113.69 1b56 s PHE 65 Ca 0.03 -0.15 0.08 0.00 -0.05 0.00 0.00 56.93 56.85 1b56 s PHE 65 Cb -0.05 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 1b56 s PHE 65 CO -0.06 -0.55 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.24 1b56 s SER 66 N -2.35 2.61 0.06 1.98 0.01 -1.26 -1.92 113.70 112.82 1b56 s SER 66 Ca -0.02 -0.76 -0.24 0.00 1.31 0.00 0.00 55.95 56.24 1b56 s SER 66 Cb 0.01 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.15 1b56 s SER 66 CO -0.06 0.02 0.57 0.00 0.41 0.00 0.00 173.24 174.18 1b56 s THR 68 N -2.59 4.84 0.36 0.00 2.01 -1.26 0.20 115.64 119.19 1b56 s THR 68 Ca -0.04 -0.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.65 1b56 s THR 68 Cb -0.01 -3.14 -0.12 0.00 0.01 0.00 0.00 72.50 69.25 1b56 s THR 68 CO -0.03 0.52 1.29 0.18 -0.69 0.00 0.00 174.62 175.89 1b56 n LEU 69 N 2.96 3.65 0.00 4.42 4.32 -0.49 -1.76 117.00 130.11 1b56 n LEU 69 Ca -0.18 1.19 0.00 0.00 -0.02 0.00 0.00 56.01 57.00 1b56 n LEU 69 Cb 0.53 -1.49 0.00 0.00 -1.62 0.00 0.00 43.42 40.84 1b56 n LEU 69 CO 0.33 -0.51 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 1b56 n GLY 70 N 0.77 2.77 3.56 -0.72 0.00 -0.61 -5.01 105.19 105.97 1b56 n GLY 70 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1b56 n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b56 s GLU 71 N -0.01 3.51 0.38 1.61 2.12 -0.72 -4.99 118.70 120.59 1b56 s GLU 71 Ca 0.00 -0.47 -0.25 0.00 0.36 0.00 0.00 54.97 54.62 1b56 s GLU 71 Cb 0.00 -2.91 -0.09 0.00 0.26 0.00 0.00 34.13 31.38 1b56 s GLU 71 CO 0.00 0.38 1.02 0.21 -0.54 0.00 0.00 175.26 176.32 1b56 s LYS 72 N 0.01 4.29 0.14 4.30 2.20 -1.26 -4.45 119.74 124.98 1b56 s LYS 72 Ca 0.02 1.45 -0.15 0.00 -0.36 0.00 0.00 55.97 56.92 1b56 s LYS 72 Cb -0.13 -2.61 0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1b56 s LYS 72 CO 0.02 -0.02 0.41 -0.59 -0.36 0.00 0.00 175.35 174.81 1b56 s PHE 73 N -1.66 -0.13 -0.34 4.03 -0.71 -0.03 -4.98 117.98 114.17 1b56 s PHE 73 Ca 0.56 -0.20 -0.25 0.00 -1.04 0.00 0.00 56.93 55.99 1b56 s PHE 73 Cb -0.21 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 41.86 1b56 s PHE 73 CO 0.26 -0.74 0.87 -2.00 -1.34 0.00 0.00 175.22 172.27 1b56 s GLU 74 N -3.83 3.91 -0.16 1.99 2.12 -1.26 -1.15 118.70 120.32 1b56 s GLU 74 Ca 0.05 0.60 -0.05 0.00 0.36 0.00 0.00 54.97 55.94 1b56 s GLU 74 Cb 0.02 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 1b56 s GLU 74 CO -0.09 -0.82 0.01 -2.00 -0.54 0.00 0.00 175.26 171.82 1b56 s GLU 75 N 3.22 3.70 -0.60 4.30 2.12 0.30 -4.89 118.70 126.85 1b56 s GLU 75 Ca 0.36 -0.43 -0.16 0.00 0.36 0.00 0.00 54.97 55.10 1b56 s GLU 75 Cb -0.13 -3.02 0.15 0.00 0.26 0.00 0.00 34.13 31.39 1b56 s GLU 75 CO 0.15 0.32 0.56 0.99 -0.54 0.00 0.00 175.26 176.75 1b56 s THR 76 N 0.18 5.27 0.70 -1.70 2.01 -1.26 -1.06 115.64 119.78 1b56 s THR 76 Ca 0.01 -1.67 -0.15 0.00 0.31 0.00 0.00 61.69 60.20 1b56 s THR 76 Cb -0.13 -4.37 0.02 0.00 0.01 0.00 0.00 72.50 68.03 1b56 s THR 76 CO 0.02 -0.91 1.16 0.42 -0.69 0.00 0.00 174.62 174.62 1b56 s THR 77 N 1.37 2.72 0.53 -0.82 -4.23 -0.18 -4.88 115.64 110.15 1b56 s THR 77 Ca 0.06 0.34 0.31 0.00 -1.18 0.00 0.00 61.69 61.23 1b56 s THR 77 Cb -0.26 -2.88 0.48 0.00 1.34 0.00 0.00 72.50 71.18 1b56 s THR 77 CO 0.01 -0.20 1.89 0.00 -0.54 0.00 0.00 174.62 175.78 1b56 h ALA 78 N -0.16 2.83 -0.08 3.99 0.00 -1.97 0.29 119.26 124.17 1b56 h ALA 78 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1b56 h ALA 78 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1b56 h ALA 78 CO 0.51 -1.09 0.00 -0.40 0.00 0.00 0.00 179.25 178.27 1b56 n ASP 79 N -4.27 1.41 0.00 0.00 5.75 -1.26 -4.94 116.55 113.23 1b56 n ASP 79 Ca 0.19 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 1b56 n ASP 79 Cb 0.96 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 1b56 n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b56 n GLY 80 N 1.13 0.94 3.82 6.12 0.00 0.10 -5.09 105.19 112.20 1b56 n GLY 80 Ca 0.18 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1b56 n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b56 s ARG 81 N -0.77 4.20 -0.21 1.61 0.52 -1.25 -4.84 118.95 118.21 1b56 s ARG 81 Ca 0.00 0.77 -0.08 0.00 -0.52 0.00 0.00 55.73 55.89 1b56 s ARG 81 Cb 0.00 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1b56 s ARG 81 CO 0.00 0.50 0.09 0.15 0.02 0.00 0.00 175.30 176.07 1b56 s LYS 82 N -1.64 3.98 0.15 3.54 -0.14 -1.26 -1.02 119.74 123.35 1b56 s LYS 82 Ca 0.37 -0.33 0.02 0.00 -1.36 0.00 0.00 55.97 54.67 1b56 s LYS 82 Cb -0.18 -3.33 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 1b56 s LYS 82 CO 0.21 0.16 -0.04 0.95 -0.76 0.00 0.00 175.35 175.87 1b56 s THR 83 N 0.70 0.81 -0.74 2.17 -4.23 -0.23 -4.79 115.64 109.33 1b56 s THR 83 Ca 0.05 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1b56 s THR 83 Cb -0.13 -1.93 0.19 0.00 1.34 0.00 0.00 72.50 71.98 1b56 s THR 83 CO 0.02 -0.66 0.68 -1.10 -0.54 0.00 0.00 174.62 173.02 1b56 s GLN 84 N -3.85 3.41 0.06 3.99 -1.52 -0.00 -0.54 119.66 121.20 1b56 s GLN 84 Ca 0.18 -2.26 -0.02 0.00 -1.95 0.00 0.00 55.36 51.31 1b56 s GLN 84 Cb 0.05 -4.37 -0.04 0.00 -0.22 0.00 0.00 33.01 28.42 1b56 s GLN 84 CO 0.01 -1.30 0.25 0.99 -0.25 0.00 0.00 175.29 174.98 1b56 s THR 85 N 0.55 5.34 -0.01 -0.19 2.01 -0.30 -2.11 115.64 120.93 1b56 s THR 85 Ca 0.14 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1b56 s THR 85 Cb -0.16 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1b56 s THR 85 CO -0.06 0.18 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.34 1b56 s VAL 86 N -1.48 0.27 -0.08 3.82 1.01 -0.39 -0.85 120.40 122.70 1b56 s VAL 86 Ca 0.34 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1b56 s VAL 86 Cb -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1b56 s VAL 86 CO 0.24 0.10 -0.22 0.00 0.00 0.00 0.00 175.10 175.22 1b56 s ASN 88 N 0.07 -0.31 -0.60 0.00 3.84 -0.62 -1.57 114.94 115.76 1b56 s ASN 88 Ca -0.10 0.77 -0.25 0.00 0.21 0.00 0.00 52.86 53.50 1b56 s ASN 88 Cb -0.16 0.75 0.05 0.00 -0.55 0.00 0.00 41.25 41.34 1b56 s ASN 88 CO 0.06 -0.20 1.01 0.12 -2.79 0.00 0.00 177.10 175.30 1b56 s PHE 89 N 1.66 2.70 0.06 0.43 2.19 -1.26 -1.70 117.98 122.06 1b56 s PHE 89 Ca -0.07 -0.08 0.03 0.00 0.33 0.00 0.00 56.93 57.13 1b56 s PHE 89 Cb -0.10 -4.22 -0.03 0.00 -1.31 0.00 0.00 43.02 37.36 1b56 s PHE 89 CO -0.11 -1.51 -0.09 -0.08 1.83 0.00 0.00 175.22 175.26 1b56 s THR 90 N 4.26 0.72 -1.06 0.12 -1.32 -0.68 -4.84 115.64 112.84 1b56 s THR 90 Ca 0.30 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 1b56 s THR 90 Cb -0.12 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1b56 s THR 90 CO 0.18 -0.46 0.00 0.47 -2.21 0.00 0.00 174.62 172.59 1b56 n ASP 91 N 1.05 -3.32 0.00 8.08 9.92 -1.26 -1.14 116.55 129.89 1b56 n ASP 91 Ca -0.20 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1b56 n ASP 91 Cb 0.56 -2.98 0.00 0.00 -0.64 0.00 0.00 41.12 38.06 1b56 n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b56 n GLY 92 N -0.52 0.66 3.13 0.44 0.00 -1.26 -5.06 105.19 102.57 1b56 n GLY 92 Ca -0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 1b56 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b56 s ALA 93 N -2.00 0.12 -0.20 4.61 0.00 -0.29 -4.67 121.76 119.33 1b56 s ALA 93 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 1b56 s ALA 93 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1b56 s ALA 93 CO 0.00 -0.39 0.54 -1.17 0.00 0.00 0.00 175.76 174.74 1b56 s LEU 94 N -2.65 4.15 -0.21 0.00 2.96 -0.18 -1.69 118.68 121.06 1b56 s LEU 94 Ca 0.03 0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 54.60 1b56 s LEU 94 Cb 0.04 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 1b56 s LEU 94 CO -0.09 -0.20 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.01 1b56 s VAL 95 N 1.69 3.37 -0.65 1.68 1.01 -0.69 -1.26 120.40 125.55 1b56 s VAL 95 Ca 0.25 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1b56 s VAL 95 Cb -0.15 -2.52 0.17 0.00 0.00 0.00 0.00 36.38 33.87 1b56 s VAL 95 CO 0.10 0.43 0.51 -1.58 0.00 0.00 0.00 175.10 174.56 1b56 s GLN 96 N 1.35 2.82 -0.16 2.72 0.74 0.15 -1.59 119.66 125.69 1b56 s GLN 96 Ca 0.04 -2.39 -0.21 0.00 0.05 0.00 0.00 55.36 52.85 1b56 s GLN 96 Cb -0.14 -3.95 -0.03 0.00 1.10 0.00 0.00 33.01 29.99 1b56 s GLN 96 CO -0.02 -1.21 0.65 -1.58 -0.55 0.00 0.00 175.29 172.58 1b56 s HIS 97 N 0.23 3.43 0.16 1.67 5.65 -0.17 -1.96 115.29 124.30 1b56 s HIS 97 Ca 0.15 1.02 0.07 0.00 0.25 0.00 0.00 55.06 56.55 1b56 s HIS 97 Cb -0.18 -2.80 -0.04 0.00 -1.18 0.00 0.00 32.58 28.38 1b56 s HIS 97 CO -0.05 -0.10 -0.04 -0.65 -0.65 0.00 0.00 174.74 173.26 1b56 s GLN 98 N 1.60 2.30 -0.12 2.88 -0.21 0.51 -1.26 119.66 125.36 1b56 s GLN 98 Ca 0.31 -1.11 -0.06 0.00 0.02 0.00 0.00 55.36 54.52 1b56 s GLN 98 Cb -0.16 -2.32 0.05 0.00 1.00 0.00 0.00 33.01 31.58 1b56 s GLN 98 CO 0.12 0.47 0.29 -1.21 -2.12 0.00 0.00 175.29 172.83 1b56 s GLU 99 N -2.75 0.25 -0.20 2.91 2.02 -0.90 -2.52 118.70 117.51 1b56 s GLU 99 Ca 0.26 0.60 -0.27 0.00 0.02 0.00 0.00 54.97 55.58 1b56 s GLU 99 Cb -0.10 -0.09 0.09 0.00 0.10 0.00 0.00 34.13 34.13 1b56 s GLU 99 CO 0.17 -0.16 0.81 1.67 0.02 0.00 0.00 175.26 177.76 1b56 s TRP 100 N 1.33 -0.64 -1.76 1.61 -2.14 -0.76 -0.82 118.94 115.76 1b56 s TRP 100 Ca -0.09 1.38 -0.22 0.00 2.66 0.00 0.00 56.10 59.83 1b56 s TRP 100 Cb -0.10 0.35 0.22 0.00 -3.10 0.00 0.00 33.47 30.84 1b56 s TRP 100 CO -0.10 -0.41 0.59 -0.25 -2.66 0.00 0.00 176.95 174.12 1b56 n ASP 101 N 1.83 -1.98 0.00 -2.66 9.92 -1.26 0.30 116.55 122.70 1b56 n ASP 101 Ca -0.15 -1.12 0.00 0.00 -0.53 0.00 0.00 54.79 53.00 1b56 n ASP 101 Cb 0.56 -1.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.32 1b56 n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b56 n GLY 102 N -1.07 2.59 3.94 0.44 0.00 -1.26 -5.01 105.19 104.83 1b56 n GLY 102 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1b56 n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b56 s LYS 103 N -0.09 3.49 0.12 1.61 -0.14 0.15 -5.12 119.74 119.75 1b56 s LYS 103 Ca 0.00 -0.41 0.01 0.00 -1.36 0.00 0.00 55.97 54.21 1b56 s LYS 103 Cb 0.00 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 1b56 s LYS 103 CO 0.00 0.24 -0.01 -1.21 -0.76 0.00 0.00 175.35 173.61 1b56 s GLU 104 N -4.09 0.91 -0.14 1.68 2.02 -1.26 -1.83 118.70 115.99 1b56 s GLU 104 Ca 0.39 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.67 1b56 s GLU 104 Cb -0.10 -0.05 0.12 0.00 0.10 0.00 0.00 34.13 34.21 1b56 s GLU 104 CO 0.33 -0.13 0.98 0.45 0.02 0.00 0.00 175.26 176.91 1b56 s SER 105 N -3.07 -0.37 -0.06 -0.19 0.15 -1.05 -4.68 113.70 104.43 1b56 s SER 105 Ca 0.18 0.35 -0.05 0.00 0.70 0.00 0.00 55.95 57.13 1b56 s SER 105 Cb 0.07 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1b56 s SER 105 CO -0.01 -0.39 0.16 0.42 1.20 0.00 0.00 173.24 174.62 1b56 s THR 106 N -1.43 -0.02 -0.14 6.45 -4.23 -0.88 -0.36 115.64 115.04 1b56 s THR 106 Ca -0.01 0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1b56 s THR 106 Cb -0.01 -0.24 -0.02 0.00 1.34 0.00 0.00 72.50 73.57 1b56 s THR 106 CO 0.00 0.02 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.38 1b56 s ILE 107 N 0.45 3.36 -0.12 2.99 -1.09 -0.83 -1.34 121.20 124.62 1b56 s ILE 107 Ca -0.03 -0.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.87 1b56 s ILE 107 Cb -0.04 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 1b56 s ILE 107 CO -0.02 0.51 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.09 1b56 s THR 108 N 0.34 2.11 -0.16 2.92 2.01 0.84 -0.68 115.64 123.03 1b56 s THR 108 Ca -0.08 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 60.94 1b56 s THR 108 Cb -0.15 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1b56 s THR 108 CO 0.05 0.55 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.23 1b56 s ARG 109 N 0.61 3.15 0.03 4.92 0.52 -0.39 -0.27 118.95 127.53 1b56 s ARG 109 Ca -0.12 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.30 1b56 s ARG 109 Cb -0.17 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 1b56 s ARG 109 CO 0.03 -0.03 -0.02 -1.59 0.02 0.00 0.00 175.30 173.71 1b56 s LYS 110 N 0.90 0.45 -0.00 3.54 -2.85 -0.32 -1.01 119.74 120.45 1b56 s LYS 110 Ca -0.04 -0.85 -0.23 0.00 -1.00 0.00 0.00 55.97 53.85 1b56 s LYS 110 Cb -0.15 0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.73 1b56 s LYS 110 CO -0.02 -0.08 0.69 -1.17 0.10 0.00 0.00 175.35 174.86 1b56 s LEU 111 N -2.07 4.40 -0.23 2.77 1.98 -1.26 -0.21 118.68 124.07 1b56 s LEU 111 Ca -0.06 1.27 -0.08 0.00 -2.89 0.00 0.00 54.13 52.37 1b56 s LEU 111 Cb -0.02 -3.08 0.10 0.00 0.66 0.00 0.00 46.19 43.85 1b56 s LEU 111 CO -0.05 0.01 0.49 -0.54 -1.89 0.00 0.00 176.35 174.38 1b56 s LYS 112 N 0.13 0.41 -1.44 1.98 1.02 0.11 -4.93 119.74 117.02 1b56 s LYS 112 Ca 0.35 1.16 -0.03 0.00 0.02 0.00 0.00 55.97 57.48 1b56 s LYS 112 Cb -0.19 0.48 0.01 0.00 -0.52 0.00 0.00 37.83 37.61 1b56 s LYS 112 CO 0.20 -0.23 0.23 -0.25 -0.92 0.00 0.00 175.35 174.38 1b56 n ASP 113 N 5.34 -5.05 0.00 2.83 8.00 -1.26 -1.73 116.55 124.68 1b56 n ASP 113 Ca -0.10 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1b56 n ASP 113 Cb 0.50 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 1b56 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b56 n GLY 114 N -1.11 2.74 3.57 0.44 0.00 -1.26 -5.04 105.19 104.53 1b56 n GLY 114 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1b56 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b56 s LYS 115 N -0.72 2.06 -0.19 1.61 0.00 -0.70 -4.60 119.74 117.18 1b56 s LYS 115 Ca 0.00 -1.44 -0.24 0.00 0.00 0.00 0.00 55.97 54.29 1b56 s LYS 115 Cb 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 37.83 35.75 1b56 s LYS 115 CO 0.00 0.38 0.80 -1.17 0.00 0.00 0.00 175.35 175.37 1b56 s LEU 116 N -3.30 4.15 -0.29 2.77 2.96 0.44 -0.71 118.68 124.69 1b56 s LEU 116 Ca 0.28 1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 55.24 1b56 s LEU 116 Cb -0.07 -3.17 0.03 0.00 0.50 0.00 0.00 46.19 43.47 1b56 s LEU 116 CO 0.17 -0.41 0.03 -0.69 -1.32 0.00 0.00 176.35 174.13 1b56 s VAL 117 N 2.30 3.46 -0.22 1.68 1.01 0.71 0.05 120.40 129.38 1b56 s VAL 117 Ca 0.36 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1b56 s VAL 117 Cb -0.16 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1b56 s VAL 117 CO 0.11 0.02 0.09 -0.69 0.00 0.00 0.00 175.10 174.63 1b56 s VAL 118 N 1.39 4.82 -0.08 2.92 1.01 -0.03 -1.17 120.40 129.25 1b56 s VAL 118 Ca -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1b56 s VAL 118 Cb -0.18 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1b56 s VAL 118 CO 0.00 0.39 -0.17 -1.61 0.00 0.00 0.00 175.10 173.71 1b56 s GLU 119 N 0.95 2.20 0.05 2.72 2.02 0.63 -0.99 118.70 126.28 1b56 s GLU 119 Ca 0.05 -0.60 0.07 0.00 0.02 0.00 0.00 54.97 54.50 1b56 s GLU 119 Cb -0.14 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 1b56 s GLU 119 CO 0.03 0.11 -0.16 0.00 0.02 0.00 0.00 175.26 175.25 1b56 s VAL 121 N -0.98 0.03 -0.29 0.00 0.11 -0.45 -1.34 120.40 117.48 1b56 s VAL 121 Ca 0.16 -0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1b56 s VAL 121 Cb -0.11 -0.21 0.13 0.00 -1.53 0.00 0.00 36.38 34.66 1b56 s VAL 121 CO 0.07 -0.12 0.63 -0.32 -3.33 0.00 0.00 175.10 172.03 1b56 s MET 122 N -0.37 0.56 -1.36 1.54 1.75 -0.75 -2.07 119.30 118.62 1b56 s MET 122 Ca -0.04 1.42 -0.02 0.00 -1.25 0.00 0.00 55.69 55.80 1b56 s MET 122 Cb -0.03 0.83 -0.00 0.00 2.84 0.00 0.00 34.83 38.47 1b56 s MET 122 CO 0.00 -0.21 0.52 0.09 -0.65 0.00 0.00 175.02 174.77 1b56 n ASN 123 N 5.45 -0.94 0.00 1.11 3.02 -1.26 -1.12 115.26 121.51 1b56 n ASN 123 Ca -0.12 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1b56 n ASN 123 Cb 0.49 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 1b56 n ASN 123 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1b56 n ASN 124 N -2.98 0.00 -4.66 6.41 3.02 -1.26 -4.96 115.26 110.83 1b56 n ASN 124 Ca -0.29 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.85 1b56 n ASN 124 Cb 0.68 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 1b56 n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1b56 s VAL 125 N -1.81 4.92 0.51 2.41 1.01 -0.28 -5.05 120.40 122.10 1b56 s VAL 125 Ca 0.00 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.46 1b56 s VAL 125 Cb 0.00 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1b56 s VAL 125 CO 0.00 0.04 0.01 0.42 0.00 0.00 0.00 175.10 175.57 1b56 s THR 126 N 2.18 1.10 0.07 3.92 -4.23 -1.26 -1.80 115.64 115.61 1b56 s THR 126 Ca 0.34 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.72 1b56 s THR 126 Cb -0.16 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.55 1b56 s THR 126 CO 0.11 0.00 0.31 0.00 -0.54 0.00 0.00 174.62 174.50 1b56 s THR 128 N -2.98 -0.35 -0.10 0.00 2.01 0.22 -2.35 115.64 112.09 1b56 s THR 128 Ca -0.02 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 1b56 s THR 128 Cb 0.01 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1b56 s THR 128 CO -0.06 -0.18 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.47 1b56 s ARG 129 N 2.35 3.10 -0.11 4.92 1.81 -0.16 -1.37 118.95 129.49 1b56 s ARG 129 Ca 0.07 -0.60 -0.00 0.00 -1.72 0.00 0.00 55.73 53.47 1b56 s ARG 129 Cb -0.15 -2.64 -0.02 0.00 -0.45 0.00 0.00 34.95 31.68 1b56 s ARG 129 CO -0.12 0.43 -0.08 0.42 -0.68 0.00 0.00 175.30 175.27 1b56 s ILE 130 N -0.20 3.51 -0.06 1.52 -1.09 0.24 -0.85 121.20 124.28 1b56 s ILE 130 Ca 0.02 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1b56 s ILE 130 Cb -0.13 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 1b56 s ILE 130 CO 0.03 0.55 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.82 1b56 s TYR 131 N -0.18 1.65 -0.09 3.97 1.51 0.11 -0.83 117.35 123.49 1b56 s TYR 131 Ca 0.02 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 1b56 s TYR 131 Cb -0.13 -1.15 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1b56 s TYR 131 CO 0.03 -0.23 0.01 -1.83 -1.11 0.00 0.00 175.55 172.42 1b56 s GLU 132 N 0.30 3.02 0.34 -0.62 -1.05 0.23 -0.42 118.70 120.50 1b56 s GLU 132 Ca -0.09 -0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.05 1b56 s GLU 132 Cb -0.13 -2.82 -0.11 0.00 -0.44 0.00 0.00 34.13 30.62 1b56 s GLU 132 CO 0.03 0.71 1.51 0.21 0.95 0.00 0.00 175.26 178.67 1b56 s LYS 133 N -0.89 4.14 -0.27 -4.83 2.20 -1.26 -0.40 119.74 118.42 1b56 s LYS 133 Ca 0.13 2.54 -0.17 0.00 -0.36 0.00 0.00 55.97 58.11 1b56 s LYS 133 Cb -0.11 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 1b56 s LYS 133 CO 0.02 -0.54 0.48 0.08 -0.36 0.00 0.00 175.35 175.04 1b56 s VAL 134 N -0.72 5.08 0.00 4.02 1.01 0.12 -4.85 120.40 125.07 1b56 s VAL 134 Ca 0.56 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1b56 s VAL 134 Cb -0.46 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1b56 s VAL 134 CO 0.57 0.06 0.00 1.21 0.00 0.00 0.00 175.10 176.94