#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m2a n GLU 2 N 0.00 0.00 -3.64 0.00 4.71 -1.26 -5.15 120.64 115.30 1m2a n GLU 2 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1m2a n GLU 2 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.36 1m2a n GLU 2 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1m2a s PHE 3 N 1.69 -0.98 0.04 -0.32 5.36 -1.26 -4.84 117.98 117.67 1m2a s PHE 3 Ca 0.00 1.99 0.05 0.00 -0.96 0.00 0.00 56.93 58.01 1m2a s PHE 3 Cb 0.00 0.57 -0.02 0.00 -0.34 0.00 0.00 43.02 43.23 1m2a s PHE 3 CO 0.00 -0.48 -0.14 0.15 -1.46 0.00 0.00 175.22 173.28 1m2a s LYS 4 N 1.47 0.94 -0.16 10.12 1.02 -0.67 -4.54 119.74 127.93 1m2a s LYS 4 Ca -0.09 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1m2a s LYS 4 Cb -0.05 -0.96 0.03 0.00 -0.52 0.00 0.00 37.83 36.34 1m2a s LYS 4 CO -0.17 0.24 -0.09 -1.58 -0.92 0.00 0.00 175.35 172.82 1m2a s HIS 5 N -0.89 1.98 -0.23 3.18 2.46 0.27 -1.91 115.29 120.16 1m2a s HIS 5 Ca 0.02 -1.20 -0.08 0.00 0.47 0.00 0.00 55.06 54.26 1m2a s HIS 5 Cb -0.08 -1.46 -0.04 0.00 -0.13 0.00 0.00 32.58 30.87 1m2a s HIS 5 CO 0.01 -0.65 0.10 0.08 -2.47 0.00 0.00 174.74 171.82 1m2a s VAL 6 N 1.54 4.82 -0.14 0.89 1.01 0.30 -0.61 120.40 128.21 1m2a s VAL 6 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1m2a s VAL 6 Cb -0.14 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1m2a s VAL 6 CO -0.09 0.37 -0.08 -0.36 0.00 0.00 0.00 175.10 174.95 1m2a s PHE 7 N 1.05 2.93 -0.21 5.22 0.40 0.53 -0.47 117.98 127.43 1m2a s PHE 7 Ca 0.05 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1m2a s PHE 7 Cb -0.14 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.51 1m2a s PHE 7 CO 0.04 -0.11 -0.15 0.08 0.70 0.00 0.00 175.22 175.78 1m2a s VAL 8 N 0.35 2.35 -0.02 -0.44 1.01 -0.45 -1.05 120.40 122.15 1m2a s VAL 8 Ca -0.07 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 1m2a s VAL 8 Cb -0.15 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1m2a s VAL 8 CO 0.04 0.38 1.43 0.00 0.00 0.00 0.00 175.10 176.95 1m2a n VAL 10 N 4.83 1.97 -1.81 0.00 0.24 0.16 -4.62 118.33 119.10 1m2a n VAL 10 Ca 0.14 -2.09 -0.41 0.00 -2.04 0.00 0.00 64.34 59.93 1m2a n VAL 10 Cb 0.44 -0.21 -0.01 0.00 -1.47 0.00 0.00 33.84 32.59 1m2a n VAL 10 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1m2a s GLN 11 N -2.77 4.13 0.20 7.34 2.00 -1.22 -4.47 119.66 124.88 1m2a s GLN 11 Ca 0.34 2.55 0.10 0.00 -2.00 0.00 0.00 55.36 56.35 1m2a s GLN 11 Cb 0.29 -3.01 -0.04 0.00 0.80 0.00 0.00 33.01 31.04 1m2a s GLN 11 CO 0.05 -0.58 -0.20 0.34 -0.50 0.00 0.00 175.29 174.40 1m2a s ASP 12 N 0.24 3.11 0.04 6.67 2.15 -1.26 -1.01 116.67 126.61 1m2a s ASP 12 Ca 0.59 -0.90 -0.02 0.00 0.43 0.00 0.00 52.55 52.65 1m2a s ASP 12 Cb -0.47 -0.22 -0.03 0.00 -0.30 0.00 0.00 42.92 41.91 1m2a s ASP 12 CO 0.53 0.03 0.00 -0.13 -0.17 0.00 0.00 175.17 175.43 1m2a s ARG 13 N -2.93 0.52 0.78 4.34 0.52 -1.26 -5.03 118.95 115.89 1m2a s ARG 13 Ca 0.20 -0.95 -0.13 0.00 -0.52 0.00 0.00 55.73 54.34 1m2a s ARG 13 Cb -0.06 0.19 0.07 0.00 0.52 0.00 0.00 34.95 35.66 1m2a s ARG 13 CO 0.09 -0.10 1.18 -2.14 0.02 0.00 0.00 175.30 174.35 1m2a s PRO 14 N -2.95 1.87 0.58 3.54 0.02 -1.26 -4.88 135.00 131.92 1m2a s PRO 14 Ca -0.02 1.66 0.30 0.00 0.02 0.00 0.00 61.00 62.96 1m2a s PRO 14 Cb 0.01 -1.81 1.44 0.00 0.02 0.00 0.00 34.50 34.15 1m2a s PRO 14 CO -0.06 -2.01 1.84 -1.35 -0.33 0.00 0.00 177.00 175.08 1m2a h PRO 15 N -0.75 0.00 0.00 5.54 0.11 -2.01 -2.91 132.00 131.98 1m2a h PRO 15 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1m2a h PRO 15 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1m2a h PRO 15 CO 0.48 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.68 1m2a n GLY 16 N -1.59 -1.62 3.67 -0.55 0.00 -1.26 -4.84 105.19 99.00 1m2a n GLY 16 Ca 0.13 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1m2a n GLY 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1m2a s HIS 17 N -3.09 1.56 0.23 1.61 5.04 -1.10 -4.88 115.29 114.65 1m2a s HIS 17 Ca 0.11 -0.29 -0.10 0.00 -1.54 0.00 0.00 55.06 53.23 1m2a s HIS 17 Cb 0.13 -4.20 0.34 0.00 0.04 0.00 0.00 32.58 28.89 1m2a s HIS 17 CO 0.56 -5.25 1.64 -1.35 -2.34 0.00 0.00 174.74 167.99 1m2a h PRO 18 N 9.98 0.07 -0.00 2.88 0.11 -1.93 -0.62 132.00 142.49 1m2a h PRO 18 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1m2a h PRO 18 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1m2a h PRO 18 CO 0.94 0.04 -0.01 1.04 -0.21 0.00 0.00 178.00 179.80 1m2a n GLN 19 N -5.37 0.96 0.00 1.05 3.00 -1.26 -5.03 117.38 110.73 1m2a n GLN 19 Ca 0.11 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1m2a n GLN 19 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.14 1m2a n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m2a n GLY 20 N 1.10 0.59 3.60 1.08 0.00 -0.24 -4.37 105.19 106.94 1m2a n GLY 20 Ca 0.21 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 1m2a n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m2a s SER 21 N -4.00 -0.32 0.25 1.61 1.04 -1.26 -4.81 113.70 106.21 1m2a s SER 21 Ca 0.00 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.05 1m2a s SER 21 Cb 0.00 0.63 0.29 0.00 0.10 0.00 0.00 66.02 67.04 1m2a s SER 21 CO 0.00 -1.12 1.58 0.00 0.98 0.00 0.00 173.24 174.68 1m2a h ALA 23 N 1.24 1.00 0.00 0.00 0.00 -1.29 -0.04 119.26 120.17 1m2a h ALA 23 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1m2a h ALA 23 Cb 1.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1m2a h ALA 23 CO 0.09 0.60 -0.12 1.96 0.00 0.00 0.00 179.25 181.78 1m2a h GLN 24 N 0.73 0.00 -0.61 0.00 4.20 -1.70 -1.61 115.11 116.13 1m2a h GLN 24 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1m2a h GLN 24 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1m2a h GLN 24 CO 0.03 0.12 0.00 0.54 -0.67 0.00 0.00 178.83 178.85 1m2a n ARG 25 N -4.09 2.79 -0.54 1.46 1.74 -0.45 -4.91 116.66 112.66 1m2a n ARG 25 Ca -0.02 -1.82 0.00 0.00 -0.77 0.00 0.00 57.85 55.23 1m2a n ARG 25 Cb 0.20 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1m2a n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m2a n GLY 26 N 0.80 0.67 0.23 -0.13 0.00 -0.61 -4.60 105.19 101.56 1m2a n GLY 26 Ca 0.16 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1m2a n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1m2a h SER 27 N 0.00 0.00 0.53 1.61 4.64 -1.15 -2.21 113.55 116.97 1m2a h SER 27 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1m2a h SER 27 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1m2a h SER 27 CO 0.00 0.18 -0.42 0.03 -0.87 0.00 0.00 176.83 175.75 1m2a h ARG 28 N 0.00 0.00 0.00 4.77 3.08 -1.82 0.44 114.38 120.86 1m2a h ARG 28 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1m2a h ARG 28 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1m2a h ARG 28 CO 0.02 0.42 -0.75 0.93 -1.07 0.00 0.00 179.97 179.52 1m2a h GLU 29 N 0.00 0.00 -0.04 0.04 3.07 -1.79 -0.88 114.58 114.98 1m2a h GLU 29 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1m2a h GLU 29 Cb 0.80 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1m2a h GLU 29 CO 0.05 0.75 0.00 0.28 -1.40 0.00 0.00 179.01 178.70 1m2a h VAL 30 N 0.00 1.23 -0.45 3.13 2.07 -1.10 -0.63 116.25 120.51 1m2a h VAL 30 Ca -0.01 -0.70 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1m2a h VAL 30 Cb 1.41 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 1m2a h VAL 30 CO 0.10 0.19 0.10 0.15 0.02 0.00 0.00 177.57 178.13 1m2a h PHE 31 N -0.21 0.17 -0.71 1.57 3.57 -0.86 -1.03 116.94 119.44 1m2a h PHE 31 Ca 0.01 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1m2a h PHE 31 Cb 0.30 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1m2a h PHE 31 CO 0.02 0.03 0.46 0.37 -2.23 0.00 0.00 178.31 176.96 1m2a h GLN 32 N 0.25 0.90 -0.89 1.11 4.15 -1.06 -0.89 115.11 118.68 1m2a h GLN 32 Ca 0.22 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1m2a h GLN 32 Cb 0.26 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 1m2a h GLN 32 CO -0.27 0.60 0.48 0.00 -1.93 0.00 0.00 178.83 177.70 1m2a h ALA 33 N 1.28 1.14 -0.53 3.38 0.00 -0.53 0.64 119.26 124.64 1m2a h ALA 33 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1m2a h ALA 33 Cb -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1m2a h ALA 33 CO -0.08 0.66 0.21 0.74 0.00 0.00 0.00 179.25 180.78 1m2a h PHE 34 N 1.25 0.82 0.18 0.00 -1.00 -0.63 -1.77 116.94 115.79 1m2a h PHE 34 Ca 0.31 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 1m2a h PHE 34 Cb 0.04 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.36 1m2a h PHE 34 CO 0.01 0.68 -0.09 0.52 -1.61 0.00 0.00 178.31 177.82 1m2a h MET 35 N 0.72 -0.24 -0.59 1.51 2.86 -0.24 0.85 114.93 119.80 1m2a h MET 35 Ca 0.18 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.95 1m2a h MET 35 Cb 0.21 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.83 1m2a h MET 35 CO -0.01 -0.11 0.04 0.93 1.06 0.00 0.00 176.91 178.82 1m2a h GLU 36 N -0.31 0.15 0.75 1.72 5.08 -0.79 -2.06 114.58 119.12 1m2a h GLU 36 Ca -0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1m2a h GLU 36 Cb 0.24 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1m2a h GLU 36 CO 0.04 0.10 -0.36 0.87 -1.00 0.00 0.00 179.01 178.66 1m2a h LYS 37 N 0.16 -0.97 -0.30 2.33 1.79 -1.07 -3.16 116.57 115.36 1m2a h LYS 37 Ca 0.31 0.07 0.09 0.00 -2.18 0.00 0.00 60.65 58.93 1m2a h LYS 37 Cb 0.48 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1m2a h LYS 37 CO -0.47 -0.64 0.73 0.82 -1.08 0.00 0.00 179.45 178.81 1m2a h ILE 38 N -1.27 0.08 -2.06 1.86 1.08 -0.58 -2.58 117.51 114.05 1m2a h ILE 38 Ca -0.10 0.00 -0.49 0.00 -0.39 0.00 0.00 64.86 63.87 1m2a h ILE 38 Cb 0.77 0.34 -0.33 0.00 -3.07 0.00 0.00 36.82 34.53 1m2a h ILE 38 CO 0.17 0.00 -0.87 1.67 -0.69 0.00 0.00 178.15 178.42 1m2a n GLN 39 N -3.02 0.26 0.00 2.37 -0.06 -0.80 -1.76 117.38 114.38 1m2a n GLN 39 Ca 0.06 -2.92 0.00 0.00 -2.00 0.00 0.00 57.00 52.13 1m2a n GLN 39 Cb 0.84 -1.62 0.00 0.00 -4.06 0.00 0.00 30.24 25.40 1m2a n GLN 39 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1m2a n THR 40 N 2.84 0.00 -3.83 1.69 -2.24 -1.06 -4.87 114.28 106.81 1m2a n THR 40 Ca 0.27 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.75 1m2a n THR 40 Cb 0.50 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.58 1m2a n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1m2a s ASP 41 N 0.00 3.97 0.12 3.42 -1.08 -1.00 -5.04 116.67 117.06 1m2a s ASP 41 Ca 0.00 -1.52 -0.23 0.00 -0.52 0.00 0.00 52.55 50.28 1m2a s ASP 41 Cb 0.00 -1.03 -0.06 0.00 -1.46 0.00 0.00 42.92 40.38 1m2a s ASP 41 CO 0.00 -0.36 1.68 -0.65 0.52 0.00 0.00 175.17 176.36 1m2a h PRO 42 N 8.00 -0.21 -0.99 4.34 0.11 -1.89 -1.71 132.00 139.66 1m2a h PRO 42 Ca -0.13 0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.16 1m2a h PRO 42 Cb 1.04 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.10 1m2a h PRO 42 CO 0.45 -0.14 0.62 0.37 -0.21 0.00 0.00 178.00 179.09 1m2a h GLN 43 N -0.21 0.78 0.04 1.05 4.15 -1.96 -2.53 115.11 116.42 1m2a h GLN 43 Ca 0.06 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1m2a h GLN 43 Cb 0.30 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1m2a h GLN 43 CO -0.17 0.52 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.16 1m2a h LEU 44 N 0.80 -0.04 -1.07 -2.39 3.38 -1.78 -3.33 115.31 110.88 1m2a h LEU 44 Ca 0.53 -0.65 0.30 0.00 0.09 0.00 0.00 57.88 58.15 1m2a h LEU 44 Cb 0.78 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.41 1m2a h LEU 44 CO -0.31 0.71 0.61 0.15 0.09 0.00 0.00 178.44 179.69 1m2a h PHE 45 N -0.88 0.90 0.00 1.13 3.57 -0.47 0.15 116.94 121.34 1m2a h PHE 45 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1m2a h PHE 45 Cb 0.69 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1m2a h PHE 45 CO 0.17 -0.07 0.00 1.98 -2.23 0.00 0.00 178.31 178.16 1m2a h MET 46 N 0.40 0.00 0.00 1.11 4.05 -1.59 -3.34 114.93 115.57 1m2a h MET 46 Ca 0.70 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.12 1m2a h MET 46 Cb 1.57 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 1m2a h MET 46 CO -0.52 0.00 -0.01 -2.37 0.23 0.00 0.00 176.91 174.25 1m2a n THR 47 N -2.59 0.79 -3.88 -0.77 5.66 0.39 -5.05 114.28 108.83 1m2a n THR 47 Ca 0.04 -0.81 -0.11 0.00 -3.05 0.00 0.00 64.05 60.12 1m2a n THR 47 Cb 0.43 0.59 -0.13 0.00 -1.55 0.00 0.00 70.33 69.67 1m2a n THR 47 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1m2a s THR 48 N -0.83 0.03 -0.05 1.09 2.01 -0.39 -1.67 115.64 115.84 1m2a s THR 48 Ca 0.01 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.79 1m2a s THR 48 Cb 0.01 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 1m2a s THR 48 CO 0.00 -0.15 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.89 1m2a s VAL 49 N -0.44 1.64 -0.17 3.82 1.01 -0.80 -4.77 120.40 120.69 1m2a s VAL 49 Ca -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1m2a s VAL 49 Cb -0.03 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1m2a s VAL 49 CO -0.00 0.47 -0.13 -0.63 0.00 0.00 0.00 175.10 174.80 1m2a s ILE 50 N -0.06 2.74 -0.06 2.22 -1.09 -1.26 -0.54 121.20 123.15 1m2a s ILE 50 Ca -0.03 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 1m2a s ILE 50 Cb -0.12 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 1m2a s ILE 50 CO 0.02 0.50 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.20 1m2a s THR 51 N 1.05 1.29 0.29 2.92 2.01 0.38 -4.98 115.64 118.60 1m2a s THR 51 Ca -0.01 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1m2a s THR 51 Cb -0.15 -1.14 -0.09 0.00 0.01 0.00 0.00 72.50 71.14 1m2a s THR 51 CO -0.03 0.38 0.74 -2.16 -0.69 0.00 0.00 174.62 172.86 1m2a s PRO 52 N 0.36 4.08 0.21 4.92 0.04 -1.26 -1.34 135.00 142.01 1m2a s PRO 52 Ca -0.10 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 61.68 1m2a s PRO 52 Cb -0.14 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1m2a s PRO 52 CO 0.03 0.22 0.10 0.95 0.04 0.00 0.00 177.00 178.35 1m2a s THR 53 N -1.85 0.25 0.69 1.26 -4.23 0.09 -4.87 115.64 106.98 1m2a s THR 53 Ca 0.51 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 1m2a s THR 53 Cb -0.12 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.42 1m2a s THR 53 CO 0.18 -0.10 0.92 0.61 -0.54 0.00 0.00 174.62 175.69 1m2a n GLY 54 N -0.31 -1.47 3.64 3.99 0.00 -1.26 -0.67 105.19 109.11 1m2a n GLY 54 Ca -0.00 -1.68 -0.47 0.00 0.00 0.00 0.00 46.02 43.86 1m2a n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m2a n MET 56 N 2.64 3.34 -2.92 0.00 2.81 -1.26 -4.99 117.12 116.74 1m2a n MET 56 Ca 0.16 -3.02 -0.19 0.00 -1.81 0.00 0.00 57.70 52.83 1m2a n MET 56 Cb 0.27 -2.03 0.03 0.00 -0.71 0.00 0.00 33.22 30.78 1m2a n MET 56 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1m2a n ASN 57 N -0.31 -5.47 -2.72 7.83 4.13 -1.26 -4.89 115.26 112.56 1m2a n ASN 57 Ca 0.31 -0.25 -0.06 0.00 1.68 0.00 0.00 54.58 56.26 1m2a n ASN 57 Cb 1.13 -4.30 0.05 0.00 -1.54 0.00 0.00 39.78 35.11 1m2a n ASN 57 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1m2a n ALA 58 N -3.33 2.92 -0.27 5.41 0.00 -1.26 -4.97 120.51 119.01 1m2a n ALA 58 Ca -0.10 -2.72 0.04 0.00 0.00 0.00 0.00 53.44 50.66 1m2a n ALA 58 Cb 0.60 -0.92 0.18 0.00 0.00 0.00 0.00 19.45 19.31 1m2a n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m2a n MET 60 N -4.86 0.13 -0.53 0.00 2.81 -1.26 -1.62 117.12 111.78 1m2a n MET 60 Ca 0.14 0.16 0.06 0.00 -1.81 0.00 0.00 57.70 56.24 1m2a n MET 60 Cb 0.35 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 31.61 1m2a n MET 60 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1m2a n MET 61 N -1.40 2.76 -2.18 0.03 2.81 0.44 -5.01 117.12 114.57 1m2a n MET 61 Ca 0.06 -2.91 -0.26 0.00 -1.81 0.00 0.00 57.70 52.78 1m2a n MET 61 Cb 0.18 -1.86 0.09 0.00 -0.71 0.00 0.00 33.22 30.92 1m2a n MET 61 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1m2a s GLY 62 N -2.00 1.70 0.28 3.03 0.00 -0.64 -0.34 107.32 109.35 1m2a s GLY 62 Ca 0.43 -1.03 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 1m2a s GLY 62 CO 0.08 -0.54 1.54 -4.14 0.00 0.00 0.00 173.10 170.03 1m2a s PRO 63 N -5.36 4.17 -0.21 2.90 0.02 -1.26 -3.39 135.00 131.88 1m2a s PRO 63 Ca 0.63 2.48 -0.11 0.00 0.02 0.00 0.00 61.00 64.02 1m2a s PRO 63 Cb -0.09 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1m2a s PRO 63 CO 0.46 -0.55 0.17 0.08 -0.33 0.00 0.00 177.00 176.82 1m2a s VAL 64 N -0.02 5.38 -0.04 3.83 1.01 -1.26 -2.41 120.40 126.88 1m2a s VAL 64 Ca 0.62 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.87 1m2a s VAL 64 Cb -0.46 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1m2a s VAL 64 CO 0.46 0.40 -0.13 -0.69 0.00 0.00 0.00 175.10 175.15 1m2a s VAL 65 N 0.58 1.11 -0.05 2.92 1.01 -0.80 -1.86 120.40 123.31 1m2a s VAL 65 Ca 0.09 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1m2a s VAL 65 Cb -0.12 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 1m2a s VAL 65 CO 0.01 0.34 -0.17 -0.69 0.00 0.00 0.00 175.10 174.58 1m2a s VAL 66 N 0.31 1.44 -0.19 2.92 1.01 -0.21 0.04 120.40 125.72 1m2a s VAL 66 Ca -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1m2a s VAL 66 Cb -0.12 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1m2a s VAL 66 CO 0.02 0.42 -0.06 -0.69 0.00 0.00 0.00 175.10 174.78 1m2a s VAL 67 N 0.15 3.35 0.27 2.92 1.01 0.12 -0.34 120.40 127.87 1m2a s VAL 67 Ca -0.07 -0.52 0.11 0.00 0.00 0.00 0.00 61.98 61.50 1m2a s VAL 67 Cb -0.13 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1m2a s VAL 67 CO 0.03 0.46 -0.12 -0.31 0.00 0.00 0.00 175.10 175.16 1m2a s TYR 68 N 1.07 2.46 -1.23 5.22 1.51 0.22 -0.13 117.35 126.46 1m2a s TYR 68 Ca 0.01 -0.29 0.20 0.00 -1.01 0.00 0.00 57.07 55.98 1m2a s TYR 68 Cb -0.15 -1.08 0.94 0.00 -0.11 0.00 0.00 41.96 41.57 1m2a s TYR 68 CO -0.01 0.68 1.64 -0.35 -1.11 0.00 0.00 175.55 176.40 1m2a n PRO 69 N -0.74 0.15 -0.33 -1.71 -0.04 -1.26 -0.56 135.00 130.51 1m2a n PRO 69 Ca -0.06 0.13 0.23 0.00 -0.04 0.00 0.00 63.50 63.76 1m2a n PRO 69 Cb 0.60 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 33.05 1m2a n PRO 69 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1m2a h ASP 70 N 0.00 0.47 -0.39 3.54 5.19 -1.94 -3.46 116.42 119.83 1m2a h ASP 70 Ca 0.00 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 1m2a h ASP 70 Cb 0.26 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1m2a h ASP 70 CO 0.00 0.08 -0.08 0.61 -3.12 0.00 0.00 179.24 176.73 1m2a n GLY 71 N -1.45 0.30 3.63 2.75 0.00 0.81 -5.03 105.19 106.20 1m2a n GLY 71 Ca 0.26 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 1m2a n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m2a s VAL 72 N -2.15 5.05 -0.19 1.61 1.01 -0.84 -4.20 120.40 120.69 1m2a s VAL 72 Ca 0.00 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 1m2a s VAL 72 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1m2a s VAL 72 CO 0.00 0.09 0.08 0.26 0.00 0.00 0.00 175.10 175.52 1m2a s TRP 73 N 2.21 3.29 0.08 5.22 0.52 0.29 -0.71 118.94 129.83 1m2a s TRP 73 Ca 0.24 0.13 0.06 0.00 0.02 0.00 0.00 56.10 56.55 1m2a s TRP 73 Cb -0.16 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 1m2a s TRP 73 CO 0.09 0.19 -0.08 0.71 0.02 0.00 0.00 176.95 177.87 1m2a s TYR 74 N 0.36 2.79 0.17 -1.98 1.51 0.11 -0.18 117.35 120.13 1m2a s TYR 74 Ca 0.04 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 1m2a s TYR 74 Cb -0.12 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 1m2a s TYR 74 CO -0.00 0.42 -0.05 0.20 -1.11 0.00 0.00 175.55 175.00 1m2a s GLY 75 N -2.05 1.20 -1.35 0.71 0.00 -0.37 -1.90 107.32 103.56 1m2a s GLY 75 Ca 0.21 -1.57 -0.07 0.00 0.00 0.00 0.00 44.72 43.29 1m2a s GLY 75 CO 0.13 -1.59 0.49 -1.06 0.00 0.00 0.00 173.10 171.07 1m2a n GLN 76 N -0.25 -3.76 -2.30 2.90 6.02 0.54 -4.83 117.38 115.70 1m2a n GLN 76 Ca -0.08 0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 57.11 1m2a n GLN 76 Cb 0.62 -5.36 -0.03 0.00 1.02 0.00 0.00 30.24 26.48 1m2a n GLN 76 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1m2a s VAL 77 N -2.98 3.64 0.19 5.09 1.01 -1.01 -4.76 120.40 121.57 1m2a s VAL 77 Ca 0.34 1.20 0.06 0.00 0.00 0.00 0.00 61.98 63.58 1m2a s VAL 77 Cb -0.17 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1m2a s VAL 77 CO 0.42 0.11 0.15 -0.54 0.00 0.00 0.00 175.10 175.23 1m2a s LYS 78 N 0.92 2.89 0.43 2.72 1.02 -1.26 -4.33 119.74 122.12 1m2a s LYS 78 Ca 0.61 -0.93 0.16 0.00 0.02 0.00 0.00 55.97 55.83 1m2a s LYS 78 Cb -0.33 -2.61 1.06 0.00 -0.52 0.00 0.00 37.83 35.42 1m2a s LYS 78 CO 0.31 0.46 1.93 -1.35 -0.92 0.00 0.00 175.35 175.77 1m2a h PRO 79 N 2.19 0.40 0.00 -1.68 0.11 -1.87 0.11 132.00 131.25 1m2a h PRO 79 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1m2a h PRO 79 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1m2a h PRO 79 CO 0.62 0.26 0.00 0.93 -0.21 0.00 0.00 178.00 179.61 1m2a h GLU 80 N 0.41 0.00 0.00 1.05 3.07 -1.96 -2.00 114.58 115.15 1m2a h GLU 80 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1m2a h GLU 80 Cb 0.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1m2a h GLU 80 CO -0.11 0.00 -0.55 -0.25 -1.40 0.00 0.00 179.01 176.70 1m2a n ASP 81 N -2.50 0.66 -0.35 1.42 8.00 0.37 -4.31 116.55 119.84 1m2a n ASP 81 Ca 0.01 0.12 -0.03 0.00 0.71 0.00 0.00 54.79 55.59 1m2a n ASP 81 Cb 0.20 0.09 0.09 0.00 -0.02 0.00 0.00 41.12 41.48 1m2a n ASP 81 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1m2a h VAL 82 N 0.00 1.26 -0.78 2.53 2.07 -1.33 -2.32 116.25 117.68 1m2a h VAL 82 Ca 0.00 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1m2a h VAL 82 Cb 0.71 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1m2a h VAL 82 CO 0.00 0.28 0.43 0.44 0.02 0.00 0.00 177.57 178.75 1m2a h ASP 83 N 1.29 0.97 -0.50 0.57 3.32 -1.77 0.20 116.42 120.50 1m2a h ASP 83 Ca 0.33 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1m2a h ASP 83 Cb -0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1m2a h ASP 83 CO -0.06 0.78 0.13 -0.08 -1.72 0.00 0.00 179.24 178.29 1m2a h GLU 84 N 1.08 0.80 -0.45 3.56 4.81 -1.71 0.93 114.58 123.59 1m2a h GLU 84 Ca 0.27 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1m2a h GLU 84 Cb 0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1m2a h GLU 84 CO -0.05 0.76 0.28 0.82 -0.73 0.00 0.00 179.01 180.10 1m2a h ILE 85 N 0.69 1.13 -0.13 2.32 2.04 -1.01 0.81 117.51 123.36 1m2a h ILE 85 Ca 0.16 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1m2a h ILE 85 Cb 0.32 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1m2a h ILE 85 CO 0.00 0.13 0.08 0.58 0.00 0.00 0.00 178.15 178.93 1m2a h VAL 86 N 0.60 1.07 -0.11 1.67 2.07 -0.65 -0.69 116.25 120.21 1m2a h VAL 86 Ca 0.16 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1m2a h VAL 86 Cb -0.04 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1m2a h VAL 86 CO -0.03 0.07 -0.19 -0.33 0.02 0.00 0.00 177.57 177.10 1m2a h GLU 87 N 0.13 0.33 0.21 1.57 4.39 -0.64 -0.61 114.58 119.96 1m2a h GLU 87 Ca 0.05 -0.20 -0.28 0.00 0.34 0.00 0.00 59.36 59.26 1m2a h GLU 87 Cb 0.04 0.02 0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1m2a h GLU 87 CO -0.01 0.79 -1.27 0.87 -1.16 0.00 0.00 179.01 178.23 1m2a h LYS 88 N -0.10 0.44 0.00 2.33 1.79 -0.91 -1.81 116.57 118.31 1m2a h LYS 88 Ca 0.01 -0.75 -0.27 0.00 -2.18 0.00 0.00 60.65 57.46 1m2a h LYS 88 Cb 0.77 0.28 -0.04 0.00 -1.58 0.00 0.00 32.23 31.65 1m2a h LYS 88 CO 0.04 1.36 -1.84 1.58 -1.08 0.00 0.00 179.45 179.51 1m2a n HIS 89 N -3.86 0.10 -0.12 -1.35 -0.00 -0.47 -0.59 115.22 108.93 1m2a n HIS 89 Ca -0.17 0.04 -0.09 0.00 0.46 0.00 0.00 57.72 57.97 1m2a n HIS 89 Cb 1.00 -0.82 0.06 0.00 -0.12 0.00 0.00 29.99 30.11 1m2a n HIS 89 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1m2a h LEU 90 N -1.00 0.88 0.06 0.27 3.38 -1.03 0.84 115.31 118.71 1m2a h LEU 90 Ca -0.41 -0.31 -0.34 0.00 0.09 0.00 0.00 57.88 56.91 1m2a h LEU 90 Cb 1.33 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1m2a h LEU 90 CO -0.25 1.05 -1.90 0.29 0.09 0.00 0.00 178.44 177.72 1m2a n LYS 91 N -4.12 0.67 0.03 1.13 5.02 -0.25 -4.57 118.16 116.06 1m2a n LYS 91 Ca 0.01 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 1m2a n LYS 91 Cb 0.43 -1.67 0.36 0.00 -0.02 0.00 0.00 35.03 34.13 1m2a n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m2a n GLY 92 N 1.77 -1.42 2.49 0.72 0.00 -0.68 -4.96 105.19 103.11 1m2a n GLY 92 Ca -0.37 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1m2a n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m2a n GLY 93 N 1.44 0.76 3.13 -0.02 0.00 0.29 -4.86 105.19 105.94 1m2a n GLY 93 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1m2a n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m2a s GLU 94 N -0.02 2.57 0.63 1.61 2.12 0.25 -4.91 118.70 120.95 1m2a s GLU 94 Ca 0.00 -1.14 -0.19 0.00 0.36 0.00 0.00 54.97 54.00 1m2a s GLU 94 Cb 0.00 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.45 1m2a s GLU 94 CO 0.00 -0.47 1.29 -2.30 -0.54 0.00 0.00 175.26 173.24 1m2a n PRO 95 N 4.56 1.21 -2.68 4.30 -0.02 -1.26 -2.73 135.00 138.38 1m2a n PRO 95 Ca -0.16 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1m2a n PRO 95 Cb 0.45 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1m2a n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1m2a s VAL 96 N -1.37 4.04 0.28 -1.45 1.01 -1.26 -4.88 120.40 116.77 1m2a s VAL 96 Ca 0.81 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1m2a s VAL 96 Cb -0.39 -4.87 0.27 0.00 0.00 0.00 0.00 36.38 31.39 1m2a s VAL 96 CO 0.42 -1.73 1.79 -0.08 0.00 0.00 0.00 175.10 175.50 1m2a h GLU 97 N 9.73 0.74 0.00 2.72 4.81 -1.97 -1.87 114.58 128.73 1m2a h GLU 97 Ca -0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1m2a h GLU 97 Cb 1.04 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1m2a h GLU 97 CO 1.26 0.49 0.00 0.07 -0.73 0.00 0.00 179.01 180.10 1m2a h ARG 98 N 0.76 0.00 -0.02 1.92 0.11 -2.02 -2.30 114.38 112.82 1m2a h ARG 98 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 1m2a h ARG 98 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 1m2a h ARG 98 CO -0.34 0.00 -0.04 1.28 0.10 0.00 0.00 179.97 180.97 1m2a n LEU 99 N -2.96 2.12 -4.70 0.08 4.77 -0.71 -4.99 117.00 110.61 1m2a n LEU 99 Ca -0.02 -0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 1m2a n LEU 99 Cb 0.11 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1m2a n LEU 99 CO 0.20 0.39 0.91 -0.69 -1.33 0.00 0.00 177.39 176.86 1m2a s VAL 100 N -1.28 4.21 -0.03 4.08 1.01 -0.87 -1.24 120.40 126.28 1m2a s VAL 100 Ca 0.16 1.56 0.17 0.00 0.00 0.00 0.00 61.98 63.88 1m2a s VAL 100 Cb 0.12 -4.00 -0.26 0.00 0.00 0.00 0.00 36.38 32.24 1m2a s VAL 100 CO 0.20 0.06 0.37 2.30 0.00 0.00 0.00 175.10 178.03 1m2a n ILE 101 N 4.28 0.02 -3.56 2.22 -5.35 0.75 -4.88 119.36 112.85 1m2a n ILE 101 Ca 0.10 -0.39 -0.15 0.00 -0.27 0.00 0.00 62.75 62.03 1m2a n ILE 101 Cb 0.47 0.10 -0.06 0.00 -1.74 0.00 0.00 39.64 38.40 1m2a n ILE 101 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1m2a s SER 102 N -3.97 -0.61 0.00 7.28 0.15 -1.08 -5.00 113.70 110.46 1m2a s SER 102 Ca -0.06 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1m2a s SER 102 Cb 0.11 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1m2a s SER 102 CO 0.70 -0.47 0.33 0.29 1.20 0.00 0.00 173.24 175.29