#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n5o s PRO 4 N 0.00 2.32 0.06 -0.78 0.02 -1.26 -4.89 135.00 130.46 3n5o s PRO 4 Ca 0.00 1.54 0.04 0.00 0.02 0.00 0.00 61.00 62.60 3n5o s PRO 4 Cb 0.00 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 3n5o s PRO 4 CO 0.00 -1.65 -0.01 -0.80 -0.33 0.00 0.00 177.00 174.21 3n5o s ASN 5 N -2.43 5.01 -0.06 2.53 0.01 0.64 -4.94 114.94 115.70 3n5o s ASN 5 Ca 0.69 -0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.74 3n5o s ASN 5 Cb -0.24 -1.22 0.01 0.00 0.41 0.00 0.00 41.25 40.21 3n5o s ASN 5 CO 0.46 0.22 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.77 3n5o s PHE 6 N -1.21 1.54 -0.10 2.20 0.08 -1.26 -0.49 117.98 118.74 3n5o s PHE 6 Ca 0.23 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.74 3n5o s PHE 6 Cb -0.12 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 3n5o s PHE 6 CO 0.15 -0.27 -0.16 -2.00 -0.10 0.00 0.00 175.22 172.84 3n5o s GLU 7 N 0.56 2.23 -0.28 0.44 2.12 -0.50 -0.86 118.70 122.41 3n5o s GLU 7 Ca -0.14 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.56 3n5o s GLU 7 Cb -0.15 -1.85 0.01 0.00 0.26 0.00 0.00 34.13 32.39 3n5o s GLU 7 CO 0.04 -0.02 0.06 -1.17 -0.54 0.00 0.00 175.26 173.63 3n5o s LEU 8 N 0.85 3.71 -0.37 2.70 2.96 0.53 -1.01 118.68 128.06 3n5o s LEU 8 Ca -0.10 -0.68 -0.28 0.00 -0.22 0.00 0.00 54.13 52.85 3n5o s LEU 8 Cb -0.15 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.70 3n5o s LEU 8 CO 0.01 -0.17 1.05 -0.31 -1.32 0.00 0.00 176.35 175.61 3n5o s TYR 9 N 1.49 3.05 0.29 5.38 1.51 -0.35 -0.75 117.35 127.97 3n5o s TYR 9 Ca 0.03 0.97 0.05 0.00 -1.01 0.00 0.00 57.07 57.10 3n5o s TYR 9 Cb -0.17 -3.85 -0.02 0.00 -0.11 0.00 0.00 41.96 37.81 3n5o s TYR 9 CO 0.02 -0.90 0.29 0.41 -1.11 0.00 0.00 175.55 174.25 3n5o n GLY 10 N 4.24 2.86 3.14 0.71 0.00 -0.71 -1.73 105.19 113.70 3n5o n GLY 10 Ca 0.11 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 3n5o n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n5o s TYR 11 N -3.18 -0.32 0.29 1.61 5.04 -1.26 0.22 117.35 119.75 3n5o s TYR 11 Ca 0.33 0.77 0.03 0.00 -2.44 0.00 0.00 57.07 55.76 3n5o s TYR 11 Cb 0.01 0.10 0.61 0.00 0.35 0.00 0.00 41.96 43.03 3n5o s TYR 11 CO 0.23 -0.17 1.82 0.27 -1.34 0.00 0.00 175.55 176.36 3n5o h PHE 12 N 6.09 1.12 -0.66 4.97 -5.15 -1.90 -1.66 116.94 119.75 3n5o h PHE 12 Ca -0.29 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.51 3n5o h PHE 12 Cb 1.18 -0.35 0.00 0.00 0.22 0.00 0.00 35.95 37.00 3n5o h PHE 12 CO 0.39 0.39 0.00 -2.13 -2.00 0.00 0.00 178.31 174.95 3n5o n ARG 13 N -4.66 2.79 -2.75 6.09 0.63 -1.26 -4.45 116.66 113.04 3n5o n ARG 13 Ca 0.20 -2.56 -0.42 0.00 -0.92 0.00 0.00 57.85 54.15 3n5o n ARG 13 Cb 0.42 -1.52 -0.03 0.00 0.45 0.00 0.00 32.46 31.77 3n5o n ARG 13 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3n5o s SER 14 N -1.00 7.08 0.20 6.15 0.15 -0.63 -4.94 113.70 120.72 3n5o s SER 14 Ca 0.44 1.34 -0.05 0.00 0.70 0.00 0.00 55.95 58.38 3n5o s SER 14 Cb 0.23 -2.51 0.15 0.00 -1.71 0.00 0.00 66.02 62.18 3n5o s SER 14 CO 0.30 -0.51 1.61 0.77 1.20 0.00 0.00 173.24 176.61 3n5o h SER 15 N 7.32 0.82 -0.47 5.45 4.64 -1.88 -1.52 113.55 127.91 3n5o h SER 15 Ca -0.26 -0.31 -0.08 0.00 -0.47 0.00 0.00 61.79 60.68 3n5o h SER 15 Cb 1.11 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 3n5o h SER 15 CO 0.89 1.03 0.02 0.00 -0.87 0.00 0.00 176.83 177.90 3n5o h SER 17 N 0.83 0.73 -0.20 0.00 0.02 -1.76 -3.04 113.55 110.13 3n5o h SER 17 Ca 0.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3n5o h SER 17 Cb 0.46 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3n5o h SER 17 CO 0.02 0.52 0.11 1.23 -1.14 0.00 0.00 176.83 177.56 3n5o h GLY 18 N 0.86 0.34 0.80 -3.77 0.00 -0.46 -1.12 103.07 99.72 3n5o h GLY 18 Ca 0.25 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.47 3n5o h GLY 18 CO -0.07 0.14 0.16 3.21 0.00 0.00 0.00 176.54 179.98 3n5o h ARG 19 N 0.32 0.32 -0.38 4.80 3.08 -1.23 0.61 114.38 121.91 3n5o h ARG 19 Ca 0.08 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3n5o h ARG 19 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3n5o h ARG 19 CO -0.01 0.21 -0.25 -0.07 -1.07 0.00 0.00 179.97 178.78 3n5o h LEU 20 N 0.33 0.87 -0.42 3.04 3.38 -1.38 -2.03 115.31 119.09 3n5o h LEU 20 Ca 0.15 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3n5o h LEU 20 Cb 0.07 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3n5o h LEU 20 CO -0.12 1.11 0.04 0.03 0.09 0.00 0.00 178.44 179.59 3n5o h ARG 21 N 0.63 0.15 -0.22 1.13 3.08 -0.91 0.07 114.38 118.31 3n5o h ARG 21 Ca 0.08 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3n5o h ARG 21 Cb 0.82 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3n5o h ARG 21 CO 0.07 0.10 0.13 0.82 -1.07 0.00 0.00 179.97 180.02 3n5o h ILE 22 N 0.15 1.03 -0.39 2.04 2.04 -0.76 -2.45 117.51 119.17 3n5o h ILE 22 Ca 0.21 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3n5o h ILE 22 Cb 0.29 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3n5o h ILE 22 CO -0.32 0.05 0.16 0.00 0.00 0.00 0.00 178.15 178.05 3n5o h ALA 23 N 1.09 0.51 -0.29 1.87 0.00 -0.82 -0.82 119.26 120.81 3n5o h ALA 23 Ca 0.09 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3n5o h ALA 23 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3n5o h ALA 23 CO -0.04 0.10 -0.06 0.74 0.00 0.00 0.00 179.25 179.99 3n5o h PHE 24 N 0.49 -0.14 -0.51 0.00 0.04 -0.95 -1.95 116.94 113.93 3n5o h PHE 24 Ca 0.13 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 3n5o h PHE 24 Cb 0.18 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3n5o h PHE 24 CO -0.00 -0.12 0.15 0.45 -0.60 0.00 0.00 178.31 178.19 3n5o h HIS 25 N 0.01 0.83 -0.59 -0.55 3.86 -1.25 -0.83 115.15 116.63 3n5o h HIS 25 Ca 0.14 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3n5o h HIS 25 Cb 0.21 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 3n5o h HIS 25 CO -0.27 0.72 0.39 -0.07 0.86 0.00 0.00 177.93 179.56 3n5o h LEU 26 N 0.69 0.60 -1.97 2.43 3.38 -0.99 -2.23 115.31 117.22 3n5o h LEU 26 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3n5o h LEU 26 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3n5o h LEU 26 CO -0.00 0.42 0.00 0.29 0.09 0.00 0.00 178.44 179.23 3n5o n LYS 27 N -4.46 2.31 -3.79 1.13 5.02 -0.75 -4.87 118.16 112.75 3n5o n LYS 27 Ca 0.07 -1.95 -0.28 0.00 -2.02 0.00 0.00 58.31 54.12 3n5o n LYS 27 Cb 0.13 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.70 3n5o n LYS 27 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3n5o n SER 28 N 1.23 -5.40 -4.55 4.39 7.64 -0.69 -4.85 113.62 111.38 3n5o n SER 28 Ca 0.17 -0.69 -0.39 0.00 1.01 0.00 0.00 58.87 58.97 3n5o n SER 28 Cb 0.56 -4.29 -0.11 0.00 -1.01 0.00 0.00 64.21 59.36 3n5o n SER 28 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3n5o s ILE 29 N -3.30 5.29 0.58 0.44 1.01 -0.40 -5.04 121.20 119.77 3n5o s ILE 29 Ca 0.64 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 61.05 3n5o s ILE 29 Cb -0.31 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3n5o s ILE 29 CO 0.79 0.10 1.14 -2.16 0.00 0.00 0.00 174.94 174.80 3n5o s PRO 30 N 1.74 3.17 0.02 2.79 0.04 -1.26 -4.63 135.00 136.87 3n5o s PRO 30 Ca 0.06 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.49 3n5o s PRO 30 Cb -0.17 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.43 3n5o s PRO 30 CO 0.11 -0.99 0.46 1.52 0.04 0.00 0.00 177.00 178.14 3n5o s TYR 31 N -1.87 -0.35 -0.07 0.56 -0.85 -1.26 -4.58 117.35 108.93 3n5o s TYR 31 Ca 0.72 0.42 -0.20 0.00 -0.52 0.00 0.00 57.07 57.50 3n5o s TYR 31 Cb -0.24 0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.32 3n5o s TYR 31 CO 0.31 -0.57 0.55 0.99 -1.52 0.00 0.00 175.55 175.31 3n5o s THR 32 N -2.13 5.07 -0.14 -3.49 2.01 -0.04 -4.96 115.64 111.96 3n5o s THR 32 Ca -0.07 1.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.87 3n5o s THR 32 Cb -0.01 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 3n5o s THR 32 CO 0.00 0.36 0.47 -0.13 -0.69 0.00 0.00 174.62 174.63 3n5o s ARG 33 N 0.28 4.31 -0.40 4.92 0.52 -1.26 -0.34 118.95 126.97 3n5o s ARG 33 Ca 0.29 0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.93 3n5o s ARG 33 Cb -0.17 -3.46 0.12 0.00 0.52 0.00 0.00 34.95 31.97 3n5o s ARG 33 CO 0.14 0.11 0.19 -1.01 0.02 0.00 0.00 175.30 174.75 3n5o s HIS 34 N 0.79 2.12 0.27 -0.53 0.09 0.07 -4.93 115.29 113.16 3n5o s HIS 34 Ca 0.25 -2.35 -0.30 0.00 -0.00 0.00 0.00 55.06 52.66 3n5o s HIS 34 Cb -0.15 -1.98 -0.10 0.00 -0.00 0.00 0.00 32.58 30.34 3n5o s HIS 34 CO 0.10 -0.82 1.46 -1.25 -0.00 0.00 0.00 174.74 174.23 3n5o s PRO 35 N 0.67 4.24 -0.26 8.40 0.04 -1.26 -1.74 135.00 145.09 3n5o s PRO 35 Ca 0.15 2.35 0.02 0.00 0.04 0.00 0.00 61.00 63.57 3n5o s PRO 35 Cb -0.22 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.29 3n5o s PRO 35 CO -0.06 -0.45 -0.09 0.08 0.04 0.00 0.00 177.00 176.52 3n5o s VAL 36 N -0.11 2.02 -0.56 -0.36 1.01 0.13 -4.85 120.40 117.68 3n5o s VAL 36 Ca 0.59 -1.58 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 3n5o s VAL 36 Cb -0.43 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3n5o s VAL 36 CO 0.45 -0.08 1.82 0.21 0.00 0.00 0.00 175.10 177.50 3n5o s ASN 37 N 1.16 5.44 0.30 3.32 3.84 -1.26 -4.56 114.94 123.18 3n5o s ASN 37 Ca -0.07 0.52 0.10 0.00 0.21 0.00 0.00 52.86 53.62 3n5o s ASN 37 Cb -0.20 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.44 3n5o s ASN 37 CO -0.06 -2.21 1.68 -0.07 -2.79 0.00 0.00 177.10 173.65 3n5o h LEU 38 N 15.71 0.05 -1.03 3.21 3.38 -1.95 -1.77 115.31 132.90 3n5o h LEU 38 Ca -0.27 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3n5o h LEU 38 Cb 1.16 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3n5o h LEU 38 CO 1.18 0.56 -0.20 -0.07 0.09 0.00 0.00 178.44 180.01 3n5o h LEU 39 N 0.03 0.00 -1.12 1.67 3.38 -2.04 -2.60 115.31 114.64 3n5o h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n5o h LEU 39 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3n5o h LEU 39 CO 0.07 0.20 -0.14 0.29 0.09 0.00 0.00 178.44 178.95 3n5o n LYS 40 N -3.32 1.58 -1.51 1.13 5.02 -1.06 -4.96 118.16 115.04 3n5o n LYS 40 Ca 0.01 -1.12 -0.08 0.00 -2.02 0.00 0.00 58.31 55.09 3n5o n LYS 40 Cb 0.44 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3n5o n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n5o n GLY 41 N 1.30 0.72 0.28 0.72 0.00 -0.98 -4.92 105.19 102.31 3n5o n GLY 41 Ca 0.15 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.66 3n5o n GLY 41 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3n5o h GLU 42 N 0.00 0.00 -0.00 1.61 5.08 -1.58 0.11 114.58 119.80 3n5o h GLU 42 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3n5o h GLU 42 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3n5o h GLU 42 CO 0.24 0.04 0.01 -0.56 -1.00 0.00 0.00 179.01 177.73 3n5o h GLN 43 N 0.00 0.00 0.00 2.33 -0.00 -1.89 -3.10 115.11 112.45 3n5o h GLN 43 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3n5o h GLN 43 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 3n5o h GLN 43 CO 0.00 0.00 -1.03 0.72 -0.00 0.00 0.00 178.83 178.53 3n5o n HIS 44 N -3.22 0.67 -1.49 0.06 8.25 0.02 -4.46 115.22 115.06 3n5o n HIS 44 Ca -0.03 0.20 -0.37 0.00 -0.26 0.00 0.00 57.72 57.26 3n5o n HIS 44 Cb 0.08 -0.76 0.06 0.00 1.12 0.00 0.00 29.99 30.49 3n5o n HIS 44 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3n5o n SER 45 N -2.39 0.27 -0.31 0.41 3.41 -1.17 -4.78 113.62 109.05 3n5o n SER 45 Ca 0.01 0.73 -0.04 0.00 -0.26 0.00 0.00 58.87 59.31 3n5o n SER 45 Cb 0.51 -1.35 0.08 0.00 -0.26 0.00 0.00 64.21 63.18 3n5o n SER 45 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3n5o h ASP 46 N 0.12 0.96 -0.88 4.04 2.03 -1.93 -1.59 116.42 119.16 3n5o h ASP 46 Ca -0.48 -0.02 0.07 0.00 -0.73 0.00 0.00 57.03 55.87 3n5o h ASP 46 Cb 1.36 -0.24 -0.06 0.00 -0.83 0.00 0.00 39.33 39.56 3n5o h ASP 46 CO 0.48 0.69 0.57 0.74 -1.03 0.00 0.00 179.24 180.70 3n5o h THR 47 N 1.13 1.04 0.08 1.15 2.02 -1.95 -1.27 112.91 115.11 3n5o h THR 47 Ca 0.31 -0.33 -0.25 0.00 0.77 0.00 0.00 66.41 66.90 3n5o h THR 47 Cb -0.13 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.27 3n5o h THR 47 CO -0.07 0.18 -1.14 0.22 0.37 0.00 0.00 175.52 175.08 3n5o h TYR 48 N 0.97 0.40 -0.74 3.16 3.20 -1.77 -3.17 116.97 119.01 3n5o h TYR 48 Ca 0.39 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3n5o h TYR 48 Cb 0.26 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3n5o h TYR 48 CO -0.00 1.19 0.49 0.87 -1.64 0.00 0.00 178.16 179.07 3n5o h LYS 49 N 0.08 0.89 -0.48 1.82 6.56 -0.83 0.24 116.57 124.85 3n5o h LYS 49 Ca -0.10 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.47 3n5o h LYS 49 Cb 1.86 -0.20 -0.03 0.00 -0.57 0.00 0.00 32.23 33.29 3n5o h LYS 49 CO 0.18 0.59 0.32 0.77 -2.06 0.00 0.00 179.45 179.25 3n5o h SER 50 N 0.91 0.44 0.00 0.86 0.02 -1.27 -2.84 113.55 111.67 3n5o h SER 50 Ca 0.29 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3n5o h SER 50 Cb 0.04 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3n5o h SER 50 CO -0.08 0.30 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.54 3n5o h LEU 51 N 0.51 0.00 -7.59 5.07 3.38 -1.15 -3.45 115.31 112.08 3n5o h LEU 51 Ca 0.20 -0.66 -0.57 0.00 0.09 0.00 0.00 57.88 56.94 3n5o h LEU 51 Cb 0.15 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.52 3n5o h LEU 51 CO -0.05 1.00 -0.79 0.21 0.09 0.00 0.00 178.44 178.90 3n5o s ASN 52 N -6.20 3.13 0.00 -0.43 2.47 0.72 -4.98 114.94 109.65 3n5o s ASN 52 Ca -0.17 -0.83 0.18 0.00 0.42 0.00 0.00 52.86 52.46 3n5o s ASN 52 Cb -0.00 -0.96 0.83 0.00 -1.45 0.00 0.00 41.25 39.66 3n5o s ASN 52 CO 0.52 -0.21 1.56 -0.81 -3.72 0.00 0.00 177.10 174.43 3n5o n PRO 53 N 4.83 0.12 0.00 0.43 -0.04 -1.07 -1.19 135.00 138.07 3n5o n PRO 53 Ca -0.12 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.63 3n5o n PRO 53 Cb 0.47 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.83 3n5o n PRO 53 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3n5o n THR 54 N -1.40 0.00 -3.81 0.52 -2.24 -1.26 -4.96 114.28 101.12 3n5o n THR 54 Ca 0.06 -0.10 -0.25 0.00 -2.27 0.00 0.00 64.05 61.49 3n5o n THR 54 Cb 0.18 0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.72 3n5o n THR 54 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3n5o n ASN 55 N -0.81 -2.43 -4.32 3.42 4.13 -0.34 -5.00 115.26 109.92 3n5o n ASN 55 Ca 0.12 -0.83 -0.17 0.00 1.68 0.00 0.00 54.58 55.38 3n5o n ASN 55 Cb 0.34 -3.88 -0.10 0.00 -1.54 0.00 0.00 39.78 34.60 3n5o n ASN 55 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3n5o s THR 56 N -3.56 1.50 0.10 3.41 -4.23 -1.26 -4.77 115.64 106.83 3n5o s THR 56 Ca 0.25 -2.14 0.09 0.00 -1.18 0.00 0.00 61.69 58.71 3n5o s THR 56 Cb -0.13 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 3n5o s THR 56 CO 0.83 -0.61 -0.19 0.68 -0.54 0.00 0.00 174.62 174.79 3n5o s VAL 57 N -3.12 2.76 0.62 2.29 -7.23 -1.26 -4.41 120.40 110.04 3n5o s VAL 57 Ca 0.21 -1.47 -0.08 0.00 -1.81 0.00 0.00 61.98 58.83 3n5o s VAL 57 Cb 0.01 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.72 3n5o s VAL 57 CO 0.05 0.15 0.95 -2.16 -0.31 0.00 0.00 175.10 173.78 3n5o s PRO 58 N -1.99 2.99 -0.10 4.82 0.04 -1.26 -4.51 135.00 134.98 3n5o s PRO 58 Ca 0.17 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.40 3n5o s PRO 58 Cb -0.10 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.25 3n5o s PRO 58 CO 0.09 -0.75 -0.12 -1.17 0.04 0.00 0.00 177.00 175.09 3n5o s LEU 59 N -5.09 1.53 -0.25 -3.56 2.96 -0.70 -4.47 118.68 109.10 3n5o s LEU 59 Ca 0.55 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 54.00 3n5o s LEU 59 Cb -0.11 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 3n5o s LEU 59 CO 0.47 -0.03 0.15 -0.22 -1.32 0.00 0.00 176.35 175.41 3n5o s LEU 60 N 1.16 3.94 -0.24 -0.68 2.96 -0.29 -1.21 118.68 124.32 3n5o s LEU 60 Ca -0.04 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3n5o s LEU 60 Cb -0.14 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 3n5o s LEU 60 CO -0.03 0.01 0.04 -0.69 -1.32 0.00 0.00 176.35 174.36 3n5o s VAL 61 N 1.37 4.10 -0.15 1.68 1.01 -0.18 0.02 120.40 128.26 3n5o s VAL 61 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 3n5o s VAL 61 Cb -0.15 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3n5o s VAL 61 CO 0.07 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.80 3n5o s VAL 62 N 1.48 3.88 0.38 2.92 1.01 0.94 -1.40 120.40 129.60 3n5o s VAL 62 Ca 0.06 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.73 3n5o s VAL 62 Cb -0.15 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3n5o s VAL 62 CO 0.02 0.51 0.22 -1.54 0.00 0.00 0.00 175.10 174.30 3n5o n SER 63 N 3.39 0.29 -3.30 3.32 3.41 0.36 -0.56 113.62 120.53 3n5o n SER 63 Ca -0.17 -3.25 -0.24 0.00 -0.26 0.00 0.00 58.87 54.95 3n5o n SER 63 Cb 0.53 1.38 0.05 0.00 -0.26 0.00 0.00 64.21 65.91 3n5o n SER 63 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3n5o n ASN 64 N -1.58 -6.00 -4.25 4.04 5.15 -1.26 -0.26 115.26 111.11 3n5o n ASN 64 Ca 0.01 -0.41 -0.14 0.00 -0.60 0.00 0.00 54.58 53.44 3n5o n ASN 64 Cb 0.63 -4.80 -0.10 0.00 -0.53 0.00 0.00 39.78 34.98 3n5o n ASN 64 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3n5o s ILE 65 N -3.22 0.49 -0.42 -1.44 -4.36 -1.26 -4.40 121.20 106.59 3n5o s ILE 65 Ca 0.43 -1.98 -0.26 0.00 -0.26 0.00 0.00 60.65 58.59 3n5o s ILE 65 Cb -0.20 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.24 3n5o s ILE 65 CO 0.53 -0.29 0.93 0.21 0.24 0.00 0.00 174.94 176.56 3n5o s ASN 66 N -3.19 6.58 -0.84 4.36 2.47 -1.26 -4.89 114.94 118.16 3n5o s ASN 66 Ca 0.29 0.32 -0.24 0.00 0.42 0.00 0.00 52.86 53.66 3n5o s ASN 66 Cb 0.07 -2.46 0.06 0.00 -1.45 0.00 0.00 41.25 37.47 3n5o s ASN 66 CO 0.07 -0.97 1.27 0.21 -3.72 0.00 0.00 177.10 173.96 3n5o s ASN 67 N 2.11 6.33 0.16 -4.21 3.84 -1.26 -4.84 114.94 117.07 3n5o s ASN 67 Ca 0.38 -1.07 0.21 0.00 0.21 0.00 0.00 52.86 52.59 3n5o s ASN 67 Cb -0.11 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 38.94 3n5o s ASN 67 CO 0.23 -1.57 1.65 0.35 -2.79 0.00 0.00 177.10 174.98 3n5o n THR 68 N 6.37 0.82 -0.05 -5.21 -2.24 -1.26 -1.75 114.28 110.95 3n5o n THR 68 Ca 0.15 0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.88 3n5o n THR 68 Cb 0.49 -1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 67.57 3n5o n THR 68 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3n5o n VAL 69 N -1.98 1.65 -3.77 2.28 0.31 -1.26 -4.66 118.33 110.90 3n5o n VAL 69 Ca 0.03 -0.35 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 3n5o n VAL 69 Cb 0.24 -1.88 -0.13 0.00 -0.91 0.00 0.00 33.84 31.15 3n5o n VAL 69 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3n5o s SER 70 N -6.97 3.83 0.47 4.52 0.01 -1.17 -5.00 113.70 109.39 3n5o s SER 70 Ca -0.26 -2.70 0.18 0.00 1.31 0.00 0.00 55.95 54.47 3n5o s SER 70 Cb 0.07 -1.19 1.17 0.00 0.21 0.00 0.00 66.02 66.29 3n5o s SER 70 CO 0.67 -0.26 2.00 -0.65 0.41 0.00 0.00 173.24 175.41 3n5o h PRO 71 N 6.70 0.23 0.00 12.44 0.11 -1.61 -1.23 132.00 148.64 3n5o h PRO 71 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3n5o h PRO 71 Cb 0.92 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3n5o h PRO 71 CO 0.53 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.35 3n5o n SER 72 N -4.45 0.00 -4.76 -2.05 3.41 -1.26 -4.77 113.62 99.75 3n5o n SER 72 Ca 0.09 0.36 -0.39 0.00 -0.26 0.00 0.00 58.87 58.66 3n5o n SER 72 Cb 0.43 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 3n5o n SER 72 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3n5o s SER 73 N -2.89 7.14 0.49 4.04 0.15 -0.47 -4.96 113.70 117.20 3n5o s SER 73 Ca 0.14 1.36 0.28 0.00 0.70 0.00 0.00 55.95 58.44 3n5o s SER 73 Cb 0.16 -2.43 1.07 0.00 -1.71 0.00 0.00 66.02 63.11 3n5o s SER 73 CO 0.42 0.09 1.88 0.00 1.20 0.00 0.00 173.24 176.82 3n5o h ALA 74 N 5.41 1.01 -2.20 5.45 0.00 -1.87 -3.42 119.26 123.64 3n5o h ALA 74 Ca -0.45 -0.10 -0.43 0.00 0.00 0.00 0.00 54.91 53.93 3n5o h ALA 74 Cb 1.20 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 3n5o h ALA 74 CO 0.69 0.14 -0.57 -1.54 0.00 0.00 0.00 179.25 177.97 3n5o s SER 75 N -5.97 1.76 -0.04 0.00 1.04 -1.26 -4.17 113.70 105.06 3n5o s SER 75 Ca 0.01 -1.51 0.02 0.00 0.48 0.00 0.00 55.95 54.95 3n5o s SER 75 Cb 0.09 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3n5o s SER 75 CO 0.60 -0.82 -0.08 0.12 0.98 0.00 0.00 173.24 174.04 3n5o s PHE 76 N -3.54 0.96 -0.01 5.02 5.36 0.27 -4.88 117.98 121.16 3n5o s PHE 76 Ca 0.34 -0.27 0.03 0.00 -0.96 0.00 0.00 56.93 56.07 3n5o s PHE 76 Cb 0.06 -0.73 -0.03 0.00 -0.34 0.00 0.00 43.02 41.98 3n5o s PHE 76 CO 0.16 -0.15 -0.08 -1.54 -1.46 0.00 0.00 175.22 172.14 3n5o s SER 77 N 0.49 4.53 -0.26 6.13 1.04 -1.26 -0.04 113.70 124.33 3n5o s SER 77 Ca -0.08 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.22 3n5o s SER 77 Cb -0.12 -1.05 0.07 0.00 0.10 0.00 0.00 66.02 65.02 3n5o s SER 77 CO 0.01 0.30 -0.02 -0.63 0.98 0.00 0.00 173.24 173.88 3n5o s ILE 78 N -0.93 1.53 -2.26 -1.02 1.01 0.10 -4.98 121.20 114.65 3n5o s ILE 78 Ca 0.15 -1.37 0.20 0.00 0.00 0.00 0.00 60.65 59.64 3n5o s ILE 78 Cb -0.11 -1.88 0.43 0.00 0.01 0.00 0.00 42.46 40.92 3n5o s ILE 78 CO 0.06 -0.23 1.45 0.61 0.00 0.00 0.00 174.94 176.83 3n5o n GLY 79 N 4.65 0.89 3.05 6.18 0.00 -1.26 -1.14 105.19 117.55 3n5o n GLY 79 Ca -0.09 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 3n5o n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n5o s GLN 80 N -1.61 1.83 0.30 1.61 -1.52 -1.26 -4.81 119.66 114.21 3n5o s GLN 80 Ca 0.34 -0.46 -0.02 0.00 -1.95 0.00 0.00 55.36 53.27 3n5o s GLN 80 Cb 0.18 -1.49 0.46 0.00 -0.22 0.00 0.00 33.01 31.94 3n5o s GLN 80 CO 0.26 0.05 1.97 0.66 -0.25 0.00 0.00 175.29 177.98 3n5o h SER 81 N 6.93 0.94 -0.20 5.90 4.64 -1.88 -1.44 113.55 128.44 3n5o h SER 81 Ca -0.30 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 60.85 3n5o h SER 81 Cb 1.19 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3n5o h SER 81 CO 0.47 0.67 -0.43 -0.07 -0.87 0.00 0.00 176.83 176.61 3n5o h LEU 82 N 1.10 0.81 -0.72 5.97 3.38 -1.97 -0.15 115.31 123.73 3n5o h LEU 82 Ca 0.30 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3n5o h LEU 82 Cb -0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 3n5o h LEU 82 CO -0.07 1.13 0.34 0.00 0.09 0.00 0.00 178.44 179.93 3n5o h ALA 83 N 0.91 0.93 -0.33 1.53 0.00 -1.92 -1.59 119.26 118.79 3n5o h ALA 83 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3n5o h ALA 83 Cb 0.99 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3n5o h ALA 83 CO 0.09 0.50 0.11 0.00 0.00 0.00 0.00 179.25 179.96 3n5o h ALA 84 N 1.17 0.43 -0.39 0.00 0.00 -0.89 -1.16 119.26 118.41 3n5o h ALA 84 Ca 0.25 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3n5o h ALA 84 Cb 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3n5o h ALA 84 CO -0.03 0.05 0.08 -0.07 0.00 0.00 0.00 179.25 179.28 3n5o h LEU 85 N 0.37 0.03 -1.31 0.00 3.38 -0.84 -1.41 115.31 115.52 3n5o h LEU 85 Ca 0.11 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3n5o h LEU 85 Cb 0.22 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3n5o h LEU 85 CO -0.01 0.05 -0.20 -0.33 0.09 0.00 0.00 178.44 178.04 3n5o h GLU 86 N 0.22 0.21 -0.42 1.13 4.39 -1.18 -2.71 114.58 116.21 3n5o h GLU 86 Ca 0.19 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 3n5o h GLU 86 Cb 0.22 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3n5o h GLU 86 CO -0.24 0.41 0.12 -0.92 -1.16 0.00 0.00 179.01 177.22 3n5o h TYR 87 N 0.20 0.69 -0.99 4.33 3.20 -0.53 -0.11 116.97 123.77 3n5o h TYR 87 Ca 0.04 -0.08 0.16 0.00 3.14 0.00 0.00 58.73 61.99 3n5o h TYR 87 Cb 0.47 -0.20 -0.09 0.00 1.54 0.00 0.00 36.73 38.45 3n5o h TYR 87 CO 0.01 0.65 0.62 -0.07 -1.64 0.00 0.00 178.16 177.72 3n5o h LEU 88 N 0.54 0.80 -0.35 2.82 3.38 -0.98 0.36 115.31 121.89 3n5o h LEU 88 Ca 0.13 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 3n5o h LEU 88 Cb 0.29 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3n5o h LEU 88 CO -0.00 0.36 -0.23 -0.33 0.09 0.00 0.00 178.44 178.33 3n5o h GLU 89 N 0.82 0.77 0.00 1.13 4.39 -1.16 -2.97 114.58 117.56 3n5o h GLU 89 Ca 0.53 -0.36 -0.22 0.00 0.34 0.00 0.00 59.36 59.65 3n5o h GLU 89 Cb 0.74 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 3n5o h GLU 89 CO -0.30 0.98 -1.30 0.93 -1.16 0.00 0.00 179.01 178.16 3n5o h GLU 90 N 0.55 0.00 0.00 2.33 5.08 -0.30 -3.34 114.58 118.90 3n5o h GLU 90 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3n5o h GLU 90 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3n5o h GLU 90 CO 0.06 0.57 -0.62 0.00 -1.00 0.00 0.00 179.01 178.02 3n5o n ALA 91 N -2.42 3.04 -3.02 3.43 0.00 0.12 -4.22 120.51 117.44 3n5o n ALA 91 Ca -0.08 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 3n5o n ALA 91 Cb 0.93 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 3n5o n ALA 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3n5o n LEU 92 N -1.99 2.76 0.27 0.00 4.77 -1.12 -4.94 117.00 116.75 3n5o n LEU 92 Ca 0.04 -5.30 0.18 0.00 -0.03 0.00 0.00 56.01 50.90 3n5o n LEU 92 Cb 0.42 0.05 0.91 0.00 -2.33 0.00 0.00 43.42 42.47 3n5o n LEU 92 CO 0.36 2.30 1.04 1.55 -1.33 0.00 0.00 177.39 181.30 3n5o h PRO 93 N 2.97 0.00 -0.01 3.23 0.13 -1.73 -1.27 132.00 135.31 3n5o h PRO 93 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3n5o h PRO 93 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3n5o h PRO 93 CO 0.67 0.00 -0.31 0.25 -0.23 0.00 0.00 178.00 178.38 3n5o n THR 94 N -2.80 0.00 -1.58 1.56 -2.24 -1.26 -4.95 114.28 103.01 3n5o n THR 94 Ca -0.02 -0.24 -0.48 0.00 -2.27 0.00 0.00 64.05 61.05 3n5o n THR 94 Cb 0.11 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 3n5o n THR 94 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3n5o n ASN 95 N -0.09 1.28 0.10 3.42 2.85 -0.48 -4.84 115.26 117.50 3n5o n ASN 95 Ca 0.12 1.15 0.11 0.00 -0.11 0.00 0.00 54.58 55.84 3n5o n ASN 95 Cb 0.43 -1.23 0.45 0.00 1.24 0.00 0.00 39.78 40.67 3n5o n ASN 95 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3n5o n ALA 96 N 1.16 1.65 -3.75 5.20 0.00 -1.26 -4.12 120.51 119.40 3n5o n ALA 96 Ca 0.14 0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 3n5o n ALA 96 Cb 0.26 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 3n5o n ALA 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3n5o s ARG 97 N -3.25 1.77 0.37 0.00 3.52 -1.26 -5.09 118.95 115.01 3n5o s ARG 97 Ca 0.05 -2.65 -0.28 0.00 -0.13 0.00 0.00 55.73 52.72 3n5o s ARG 97 Cb 0.09 -2.71 -0.11 0.00 -1.56 0.00 0.00 34.95 30.66 3n5o s ARG 97 CO 0.36 -1.25 1.49 -1.25 -0.81 0.00 0.00 175.30 173.84 3n5o s PRO 98 N -0.52 4.11 0.00 5.12 0.04 -1.26 -4.80 135.00 137.68 3n5o s PRO 98 Ca 0.24 2.58 0.17 0.00 0.04 0.00 0.00 61.00 64.03 3n5o s PRO 98 Cb -0.11 -2.97 0.45 0.00 0.04 0.00 0.00 34.50 31.92 3n5o s PRO 98 CO -0.11 -0.54 1.37 1.28 0.04 0.00 0.00 177.00 179.04 3n5o n LEU 99 N 0.51 3.38 -4.34 -3.56 4.77 -1.26 -4.90 117.00 111.59 3n5o n LEU 99 Ca 0.01 -1.88 -0.26 0.00 -0.03 0.00 0.00 56.01 53.85 3n5o n LEU 99 Cb 0.39 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 3n5o n LEU 99 CO 0.64 0.82 -0.54 -0.76 -1.33 0.00 0.00 177.39 176.22 3n5o s LEU 100 N -1.06 2.32 0.73 2.23 1.43 -1.26 -0.48 118.68 122.58 3n5o s LEU 100 Ca 0.35 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 3n5o s LEU 100 Cb 0.19 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 3n5o s LEU 100 CO 0.25 0.12 0.41 -2.65 0.23 0.00 0.00 176.35 174.71 3n5o n PRO 101 N 0.96 0.25 -1.31 1.29 -0.02 -1.26 -4.93 135.00 129.98 3n5o n PRO 101 Ca -0.18 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.07 3n5o n PRO 101 Cb 0.53 -1.73 0.11 0.00 -0.02 0.00 0.00 33.50 32.40 3n5o n PRO 101 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3n5o s PRO 102 N -2.61 1.91 0.66 0.52 0.04 -1.26 -4.84 135.00 129.41 3n5o s PRO 102 Ca 0.63 1.85 0.42 0.00 0.04 0.00 0.00 61.00 63.95 3n5o s PRO 102 Cb -0.35 -1.80 2.31 0.00 0.04 0.00 0.00 34.50 34.71 3n5o s PRO 102 CO 0.60 -2.03 2.30 0.97 0.04 0.00 0.00 177.00 178.88 3n5o h ILE 103 N -0.46 0.00 0.00 0.56 6.09 -2.02 0.16 117.51 121.83 3n5o h ILE 103 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 3n5o h ILE 103 Cb 1.31 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.54 3n5o h ILE 103 CO 0.48 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.02 3n5o n SER 104 N -3.03 0.00 -3.40 2.19 3.41 -1.26 -3.89 113.62 107.64 3n5o n SER 104 Ca -0.03 -0.43 -0.26 0.00 -0.26 0.00 0.00 58.87 57.89 3n5o n SER 104 Cb 0.10 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3n5o n SER 104 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3n5o n ASN 105 N -1.10 2.60 0.21 4.04 2.85 0.56 -4.94 115.26 119.48 3n5o n ASN 105 Ca 0.14 -3.19 0.05 0.00 -0.11 0.00 0.00 54.58 51.47 3n5o n ASN 105 Cb 0.10 -0.67 0.46 0.00 1.24 0.00 0.00 39.78 40.91 3n5o n ASN 105 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3n5o h PRO 106 N 4.28 0.00 0.12 1.20 0.11 -1.78 -2.27 132.00 133.67 3n5o h PRO 106 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3n5o h PRO 106 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3n5o h PRO 106 CO 0.71 0.29 -0.06 0.28 -0.21 0.00 0.00 178.00 179.01 3n5o h VAL 107 N 0.00 0.93 -0.79 3.15 2.07 -1.94 0.32 116.25 119.99 3n5o h VAL 107 Ca -0.00 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3n5o h VAL 107 Cb 0.55 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3n5o h VAL 107 CO 0.04 0.05 0.37 0.00 0.02 0.00 0.00 177.57 178.05 3n5o h ALA 108 N 0.61 1.02 -0.83 1.67 0.00 -1.92 -2.02 119.26 117.80 3n5o h ALA 108 Ca -0.02 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3n5o h ALA 108 Cb 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3n5o h ALA 108 CO 0.03 0.60 0.53 0.00 0.00 0.00 0.00 179.25 180.40 3n5o h ARG 109 N 1.12 0.99 -0.67 0.00 3.08 -1.23 -1.04 114.38 116.65 3n5o h ARG 109 Ca 0.27 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 3n5o h ARG 109 Cb 0.13 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3n5o h ARG 109 CO -0.03 0.66 0.19 0.00 -1.07 0.00 0.00 179.97 179.72 3n5o h ALA 110 N 1.35 1.08 -0.36 0.04 0.00 -0.46 -0.63 119.26 120.28 3n5o h ALA 110 Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3n5o h ALA 110 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3n5o h ALA 110 CO -0.12 0.62 0.19 0.45 0.00 0.00 0.00 179.25 180.39 3n5o h HIS 111 N 0.99 0.50 0.03 0.00 3.86 -1.01 0.10 115.15 119.63 3n5o h HIS 111 Ca 0.22 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3n5o h HIS 111 Cb 0.31 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3n5o h HIS 111 CO 0.02 0.40 -0.05 0.28 0.86 0.00 0.00 177.93 179.44 3n5o h VAL 112 N 0.45 0.88 -0.44 2.45 2.07 -0.92 -2.35 116.25 118.38 3n5o h VAL 112 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3n5o h VAL 112 Cb 0.08 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3n5o h VAL 112 CO -0.02 0.00 0.19 0.03 0.02 0.00 0.00 177.57 177.79 3n5o h ARG 113 N -0.11 0.62 -0.32 1.57 3.08 -0.98 -1.79 114.38 116.46 3n5o h ARG 113 Ca 0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3n5o h ARG 113 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3n5o h ARG 113 CO -0.03 0.51 0.15 1.15 -1.07 0.00 0.00 179.97 180.68 3n5o h THR 114 N 0.62 1.16 -0.34 2.04 2.02 -0.50 0.11 112.91 118.03 3n5o h THR 114 Ca 0.15 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.88 3n5o h THR 114 Cb 0.11 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3n5o h THR 114 CO -0.02 0.17 0.20 0.40 0.37 0.00 0.00 175.52 176.64 3n5o h ILE 115 N 0.37 1.05 -0.94 3.11 2.04 -1.07 -0.82 117.51 121.25 3n5o h ILE 115 Ca 0.11 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 65.93 3n5o h ILE 115 Cb 0.13 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.73 3n5o h ILE 115 CO -0.01 0.08 0.58 0.00 0.00 0.00 0.00 178.15 178.80 3n5o h ASN 117 N 0.97 0.76 -0.51 0.00 -0.26 -0.35 0.14 115.58 116.32 3n5o h ASN 117 Ca 0.45 -0.48 0.04 0.00 -0.56 0.00 0.00 56.30 55.76 3n5o h ASN 117 Cb 0.37 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.37 3n5o h ASN 117 CO -0.24 1.25 0.26 0.40 -1.06 0.00 0.00 177.43 178.04 3n5o h ILE 118 N 0.46 0.97 0.02 2.81 2.04 -0.89 0.25 117.51 123.15 3n5o h ILE 118 Ca -0.03 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3n5o h ILE 118 Cb 1.31 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3n5o h ILE 118 CO 0.14 0.09 -0.01 0.40 0.00 0.00 0.00 178.15 178.77 3n5o h ILE 119 N 0.51 1.34 0.00 -0.67 2.04 -1.34 -0.64 117.51 118.75 3n5o h ILE 119 Ca 0.22 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 3n5o h ILE 119 Cb 0.12 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3n5o h ILE 119 CO -0.15 0.28 -0.31 0.00 0.00 0.00 0.00 178.15 177.97 3n5o h ALA 120 N 0.48 0.82 0.00 1.87 0.00 -0.57 0.40 119.26 122.26 3n5o h ALA 120 Ca -0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 54.91 54.20 3n5o h ALA 120 Cb 0.48 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3n5o h ALA 120 CO 0.00 0.38 -2.41 0.00 0.00 0.00 0.00 179.25 177.22 3n5o n ASP 122 N -4.03 0.85 0.01 0.00 8.00 -0.28 -4.40 116.55 116.71 3n5o n ASP 122 Ca -0.50 -0.83 -0.02 0.00 0.71 0.00 0.00 54.79 54.15 3n5o n ASP 122 Cb 0.90 1.13 -0.01 0.00 -0.02 0.00 0.00 41.12 43.12 3n5o n ASP 122 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3n5o n VAL 123 N -1.56 1.16 -0.00 2.53 0.31 -1.02 -4.75 118.33 114.99 3n5o n VAL 123 Ca 0.03 0.32 -0.11 0.00 -0.01 0.00 0.00 64.34 64.57 3n5o n VAL 123 Cb 0.34 -1.70 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 3n5o n VAL 123 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3n5o h GLN 124 N -0.21 0.08 0.00 5.55 -0.00 -1.18 -2.91 115.11 116.44 3n5o h GLN 124 Ca 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.59 3n5o h GLN 124 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 3n5o h GLN 124 CO 0.00 0.05 -0.25 -1.35 0.00 0.00 0.00 178.83 177.29 3n5o h PRO 125 N 0.08 0.00 -0.01 -2.39 0.11 -1.77 -1.92 132.00 126.10 3n5o h PRO 125 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3n5o h PRO 125 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3n5o h PRO 125 CO -0.05 0.25 -0.05 1.33 -0.21 0.00 0.00 178.00 179.27 3n5o n VAL 126 N -4.16 0.00 -0.88 3.15 0.24 -1.13 -3.82 118.33 111.72 3n5o n VAL 126 Ca -0.02 -0.23 0.03 0.00 -2.04 0.00 0.00 64.34 62.07 3n5o n VAL 126 Cb 0.30 0.50 0.04 0.00 -1.47 0.00 0.00 33.84 33.21 3n5o n VAL 126 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3n5o n THR 127 N 0.05 0.82 -1.97 3.34 -2.24 -0.80 -4.76 114.28 108.73 3n5o n THR 127 Ca 0.18 -0.92 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 3n5o n THR 127 Cb 0.36 0.42 0.19 0.00 -2.10 0.00 0.00 70.33 69.19 3n5o n THR 127 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3n5o s ASN 128 N -1.27 3.10 0.15 3.42 4.22 -0.79 -4.78 114.94 118.99 3n5o s ASN 128 Ca 0.08 0.21 -0.17 0.00 -2.14 0.00 0.00 52.86 50.84 3n5o s ASN 128 Cb 0.07 -0.24 0.00 0.00 1.28 0.00 0.00 41.25 42.37 3n5o s ASN 128 CO 0.01 -2.74 1.81 0.25 -2.04 0.00 0.00 177.10 174.39 3n5o h LEU 129 N -1.62 0.43 -0.63 3.54 5.85 -1.93 -0.10 115.31 120.84 3n5o h LEU 129 Ca -0.44 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.33 3n5o h LEU 129 Cb 1.23 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3n5o h LEU 129 CO 0.37 0.31 0.34 0.50 -0.34 0.00 0.00 178.44 179.61 3n5o h LYS 130 N 0.51 0.62 -0.08 1.25 3.64 -1.94 -0.00 116.57 120.56 3n5o h LYS 130 Ca 0.14 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.25 3n5o h LYS 130 Cb -0.05 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3n5o h LYS 130 CO -0.03 0.41 -0.86 0.82 -2.27 0.00 0.00 179.45 177.51 3n5o h ILE 131 N 0.63 1.32 -0.98 2.00 1.08 -1.77 -2.18 117.51 117.61 3n5o h ILE 131 Ca 0.28 -2.15 0.03 0.00 -0.39 0.00 0.00 64.86 62.63 3n5o h ILE 131 Cb 0.18 2.18 -0.05 0.00 -3.07 0.00 0.00 36.82 36.05 3n5o h ILE 131 CO -0.18 0.66 0.65 1.56 -0.69 0.00 0.00 178.15 180.15 3n5o h GLN 132 N 0.41 1.24 -0.61 2.37 4.20 -0.58 -0.01 115.11 122.13 3n5o h GLN 132 Ca -0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3n5o h GLN 132 Cb 1.49 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 3n5o h GLN 132 CO 0.17 0.82 0.26 0.87 -0.67 0.00 0.00 178.83 180.27 3n5o h LYS 133 N 1.28 0.90 -1.00 1.46 1.57 -0.89 -0.31 116.57 119.57 3n5o h LYS 133 Ca 0.38 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3n5o h LYS 133 Cb -0.06 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.05 3n5o h LYS 133 CO -0.11 0.75 0.66 0.87 -0.57 0.00 0.00 179.45 181.06 3n5o h LYS 134 N 0.84 1.32 -0.17 3.15 1.57 -0.72 0.11 116.57 122.67 3n5o h LYS 134 Ca 0.20 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3n5o h LYS 134 Cb 0.18 -0.30 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3n5o h LYS 134 CO -0.02 0.87 0.04 0.28 -0.57 0.00 0.00 179.45 180.05 3n5o h VAL 135 N 1.35 1.21 -0.65 0.50 2.07 -0.75 -2.78 116.25 117.21 3n5o h VAL 135 Ca 0.37 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.28 3n5o h VAL 135 Cb -0.15 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3n5o h VAL 135 CO -0.08 0.20 0.43 0.11 0.02 0.00 0.00 177.57 178.25 3n5o h LYS 136 N 0.07 0.66 0.00 1.57 6.56 -0.73 -1.55 116.57 123.15 3n5o h LYS 136 Ca 0.05 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 3n5o h LYS 136 Cb 0.27 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.78 3n5o h LYS 136 CO 0.00 0.44 -0.03 0.00 -2.06 0.00 0.00 179.45 177.80 3n5o h ALA 137 N 1.64 1.01 -0.01 3.86 0.00 -0.77 -0.18 119.26 124.81 3n5o h ALA 137 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3n5o h ALA 137 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3n5o h ALA 137 CO -0.08 0.04 -0.00 1.28 0.00 0.00 0.00 179.25 180.48 3n5o n LEU 138 N -3.14 1.40 -0.74 0.00 4.77 -0.65 -4.94 117.00 113.70 3n5o n LEU 138 Ca 0.00 -0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 55.43 3n5o n LEU 138 Cb 0.32 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3n5o n LEU 138 CO 0.28 0.23 -0.09 0.47 -1.33 0.00 0.00 177.39 176.95 3n5o n ASP 139 N 0.09 -3.81 -4.70 -1.43 8.00 -0.08 -5.04 116.55 109.57 3n5o n ASP 139 Ca 0.19 0.16 -0.24 0.00 0.71 0.00 0.00 54.79 55.62 3n5o n ASP 139 Cb 0.34 -2.31 0.10 0.00 -0.02 0.00 0.00 41.12 39.22 3n5o n ASP 139 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3n5o s GLY 140 N -2.84 1.77 -0.45 0.44 0.00 -0.79 -5.02 107.32 100.43 3n5o s GLY 140 Ca 0.00 -1.52 -0.15 0.00 0.00 0.00 0.00 44.72 43.04 3n5o s GLY 140 CO 0.00 -1.00 0.37 -0.35 0.00 0.00 0.00 173.10 172.12 3n5o s ASP 141 N -4.67 6.14 0.53 1.64 -1.08 -1.26 -4.16 116.67 113.81 3n5o s ASP 141 Ca 0.65 -1.19 0.23 0.00 -0.52 0.00 0.00 52.55 51.72 3n5o s ASP 141 Cb -0.07 -2.18 1.46 0.00 -1.46 0.00 0.00 42.92 40.67 3n5o s ASP 141 CO 0.44 -0.59 2.14 1.55 0.52 0.00 0.00 175.17 179.23 3n5o h PRO 142 N 8.72 0.00 -0.06 4.34 0.13 -1.88 -1.89 132.00 141.35 3n5o h PRO 142 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 3n5o h PRO 142 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3n5o h PRO 142 CO 0.83 0.06 -0.25 1.15 -0.23 0.00 0.00 178.00 179.56 3n5o h THR 143 N 0.00 1.44 -0.25 1.56 2.02 -1.95 -0.93 112.91 114.80 3n5o h THR 143 Ca -0.00 -1.67 -0.05 0.00 0.77 0.00 0.00 66.41 65.46 3n5o h THR 143 Cb 0.14 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3n5o h THR 143 CO 0.01 0.47 -0.05 0.58 0.37 0.00 0.00 175.52 176.91 3n5o h VAL 144 N -0.24 1.28 -0.50 3.16 2.07 -1.86 0.88 116.25 121.05 3n5o h VAL 144 Ca -0.01 -1.03 0.10 0.00 0.82 0.00 0.00 66.70 66.58 3n5o h VAL 144 Cb 0.90 1.45 -0.10 0.00 -1.52 0.00 0.00 31.29 32.02 3n5o h VAL 144 CO 0.05 0.32 -0.22 -0.25 0.02 0.00 0.00 177.57 177.49 3n5o h TRP 145 N 0.22 -0.57 -0.34 1.57 2.91 -1.41 0.17 115.95 118.49 3n5o h TRP 145 Ca 0.06 0.05 -0.13 0.00 1.13 0.00 0.00 58.89 60.00 3n5o h TRP 145 Cb 0.50 0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 29.47 3n5o h TRP 145 CO 0.05 -0.31 -0.31 0.77 -1.03 0.00 0.00 178.44 177.61 3n5o h SER 146 N -0.11 0.87 -0.30 2.65 0.02 -0.94 -2.32 113.55 113.42 3n5o h SER 146 Ca 0.23 -0.46 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3n5o h SER 146 Cb 0.47 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3n5o h SER 146 CO -0.57 1.14 0.17 -0.09 -1.14 0.00 0.00 176.83 176.35 3n5o h ARG 147 N 0.60 0.35 -0.51 3.45 2.43 -0.55 0.57 114.38 120.72 3n5o h ARG 147 Ca 0.06 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3n5o h ARG 147 Cb 0.89 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 3n5o h ARG 147 CO 0.08 0.23 0.33 -0.44 -1.51 0.00 0.00 179.97 178.66 3n5o h ASP 148 N 0.36 0.57 -0.18 -3.80 3.32 -0.88 0.38 116.42 116.19 3n5o h ASP 148 Ca 0.12 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 3n5o h ASP 148 Cb -0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3n5o h ASP 148 CO -0.06 0.41 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.20 3n5o h LEU 149 N 0.68 0.90 -0.50 1.55 3.38 -1.17 -1.95 115.31 118.20 3n5o h LEU 149 Ca 0.19 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3n5o h LEU 149 Cb -0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3n5o h LEU 149 CO -0.05 1.29 0.18 0.00 0.09 0.00 0.00 178.44 179.96 3n5o h ALA 150 N 0.71 0.65 -0.70 1.53 0.00 -0.75 -1.27 119.26 119.44 3n5o h ALA 150 Ca -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3n5o h ALA 150 Cb 1.21 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3n5o h ALA 150 CO 0.13 0.29 0.37 1.15 0.00 0.00 0.00 179.25 181.19 3n5o h THR 151 N 0.67 0.91 -0.14 0.00 2.02 -0.81 0.22 112.91 115.79 3n5o h THR 151 Ca 0.16 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3n5o h THR 151 Cb 0.23 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3n5o h THR 151 CO -0.01 0.12 0.02 -0.61 0.37 0.00 0.00 175.52 175.41 3n5o h GLN 152 N 0.66 0.23 -0.47 6.66 4.15 -1.16 -1.87 115.11 123.32 3n5o h GLN 152 Ca 0.33 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 3n5o h GLN 152 Cb 0.28 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3n5o h GLN 152 CO -0.22 0.43 0.28 0.78 -1.93 0.00 0.00 178.83 178.17 3n5o h GLY 153 N -0.00 0.67 2.00 2.39 0.00 -0.87 -2.30 103.07 104.97 3n5o h GLY 153 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3n5o h GLY 153 CO 0.00 0.27 -0.11 0.74 0.00 0.00 0.00 176.54 177.44 3n5o h PHE 154 N 0.62 0.00 -0.42 5.60 -1.00 -0.47 -1.14 116.94 120.13 3n5o h PHE 154 Ca 0.17 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.01 3n5o h PHE 154 Cb -0.01 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.49 3n5o h PHE 154 CO -0.03 0.11 0.10 0.78 -1.61 0.00 0.00 178.31 177.66 3n5o h GLY 155 N 0.40 0.51 1.02 -1.45 0.00 -0.77 0.11 103.07 102.89 3n5o h GLY 155 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 3n5o h GLY 155 CO 0.01 -0.02 0.21 0.00 0.00 0.00 0.00 176.54 176.74 3n5o h ALA 156 N 1.30 0.86 -0.53 3.60 0.00 -0.96 -2.24 119.26 121.30 3n5o h ALA 156 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3n5o h ALA 156 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3n5o h ALA 156 CO -0.25 0.52 0.35 0.28 0.00 0.00 0.00 179.25 180.16 3n5o h VAL 157 N 0.95 1.13 -0.70 0.00 2.07 -1.09 -2.43 116.25 116.17 3n5o h VAL 157 Ca 0.21 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3n5o h VAL 157 Cb 0.29 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3n5o h VAL 157 CO -0.01 0.13 0.32 -0.08 0.02 0.00 0.00 177.57 177.95 3n5o h GLU 158 N 0.71 1.01 -0.70 1.57 4.57 -0.65 -0.66 114.58 120.44 3n5o h GLU 158 Ca 0.20 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3n5o h GLU 158 Cb -0.07 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.31 3n5o h GLU 158 CO -0.05 0.81 0.32 0.87 -1.18 0.00 0.00 179.01 179.78 3n5o h LYS 159 N 0.98 1.00 -0.53 1.92 1.57 -1.19 -1.04 116.57 119.28 3n5o h LYS 159 Ca 0.24 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3n5o h LYS 159 Cb 0.14 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3n5o h LYS 159 CO -0.03 0.79 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.57 3n5o h LEU 160 N 0.99 0.92 -1.49 2.94 3.38 -0.84 -3.06 115.31 118.15 3n5o h LEU 160 Ca 0.24 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3n5o h LEU 160 Cb 0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3n5o h LEU 160 CO -0.03 1.00 -0.16 -0.07 0.09 0.00 0.00 178.44 179.28 3n5o h LEU 161 N 0.81 0.00 -2.23 1.67 3.38 -0.51 -1.56 115.31 116.87 3n5o h LEU 161 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3n5o h LEU 161 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3n5o h LEU 161 CO 0.03 0.16 -0.05 -0.33 0.09 0.00 0.00 178.44 178.34 3n5o h GLU 162 N 0.00 0.00 0.08 1.13 5.08 -1.10 -1.05 114.58 118.71 3n5o h GLU 162 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 3n5o h GLU 162 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3n5o h GLU 162 CO 0.02 0.05 -2.06 1.28 -1.00 0.00 0.00 179.01 177.29 3n5o n LEU 163 N -3.87 2.28 -0.04 1.33 4.77 -0.66 -4.78 117.00 116.03 3n5o n LEU 163 Ca -0.03 0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.13 3n5o n LEU 163 Cb 0.14 -0.79 -0.11 0.00 -2.33 0.00 0.00 43.42 40.32 3n5o n LEU 163 CO 0.29 0.78 -0.81 -1.54 -1.33 0.00 0.00 177.39 174.78 3n5o n SER 164 N -3.33 1.54 -4.74 -1.43 3.41 -0.80 -5.03 113.62 103.24 3n5o n SER 164 Ca -0.32 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.88 3n5o n SER 164 Cb 1.04 1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 66.26 3n5o n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n5o s ALA 165 N -2.72 3.47 0.00 7.33 0.00 -0.43 -0.47 121.76 128.93 3n5o s ALA 165 Ca -0.06 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3n5o s ALA 165 Cb 0.07 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3n5o s ALA 165 CO 0.60 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.34 3n5o n GLY 166 N 1.92 1.77 0.35 0.00 0.00 -1.07 -4.70 105.19 103.47 3n5o n GLY 166 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3n5o n GLY 166 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3n5o h ARG 167 N 0.00 1.03 0.00 1.61 2.43 -1.81 -3.46 114.38 114.19 3n5o h ARG 167 Ca 0.00 -0.07 -0.27 0.00 -0.81 0.00 0.00 59.98 58.83 3n5o h ARG 167 Cb 0.00 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.27 3n5o h ARG 167 CO 0.00 0.69 -0.21 1.19 -1.51 0.00 0.00 179.97 180.13 3n5o n PHE 168 N -4.41 0.33 -0.21 2.20 3.72 -0.47 -4.66 117.46 113.97 3n5o n PHE 168 Ca 0.08 -1.13 0.01 0.00 -0.05 0.00 0.00 57.45 56.37 3n5o n PHE 168 Cb 0.04 -0.09 0.12 0.00 -0.94 0.00 0.00 39.48 38.61 3n5o n PHE 168 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n5o s VAL 170 N -6.11 1.45 0.00 0.00 1.01 -1.26 -2.13 120.40 113.36 3n5o s VAL 170 Ca -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.15 3n5o s VAL 170 Cb 0.18 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3n5o s VAL 170 CO 0.74 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3n5o n GLY 171 N 4.62 2.74 0.57 4.51 0.00 0.37 -4.12 105.19 113.88 3n5o n GLY 171 Ca -0.01 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.64 3n5o n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3n5o n ASP 172 N 1.19 2.78 -4.38 1.61 8.00 -1.26 -1.36 116.55 123.12 3n5o n ASP 172 Ca 0.00 -1.96 -0.30 0.00 0.71 0.00 0.00 54.79 53.24 3n5o n ASP 172 Cb 0.00 -0.20 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 3n5o n ASP 172 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3n5o s GLU 173 N -0.99 1.66 0.22 -1.24 2.02 -1.26 -4.73 118.70 114.39 3n5o s GLU 173 Ca 0.20 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.69 3n5o s GLU 173 Cb 0.11 -1.98 -0.10 0.00 0.10 0.00 0.00 34.13 32.27 3n5o s GLU 173 CO 0.14 0.49 1.42 0.42 0.02 0.00 0.00 175.26 177.75 3n5o s ILE 174 N -0.94 2.82 0.37 -1.63 1.01 -1.26 -4.65 121.20 116.92 3n5o s ILE 174 Ca 0.13 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.50 3n5o s ILE 174 Cb -0.10 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3n5o s ILE 174 CO 0.05 0.10 0.15 0.42 0.00 0.00 0.00 174.94 175.66 3n5o s THR 175 N 0.16 0.48 0.59 2.92 -4.23 -1.26 -4.73 115.64 109.57 3n5o s THR 175 Ca 0.60 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.39 3n5o s THR 175 Cb -0.40 -2.42 0.36 0.00 1.34 0.00 0.00 72.50 71.38 3n5o s THR 175 CO 0.40 0.00 2.16 -0.07 -0.54 0.00 0.00 174.62 176.57 3n5o h LEU 176 N 1.93 0.00 -0.35 4.79 3.38 -1.16 -1.54 115.31 122.37 3n5o h LEU 176 Ca -0.34 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3n5o h LEU 176 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3n5o h LEU 176 CO 0.53 0.00 0.14 0.00 0.09 0.00 0.00 178.44 179.20 3n5o h ALA 177 N 1.85 0.41 -0.52 1.53 0.00 -1.85 -1.51 119.26 119.17 3n5o h ALA 177 Ca 0.05 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3n5o h ALA 177 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3n5o h ALA 177 CO -0.00 -0.24 -0.05 -0.44 0.00 0.00 0.00 179.25 178.52 3n5o h ASP 178 N 0.30 0.91 -0.99 0.00 3.32 -1.69 -0.34 116.42 117.93 3n5o h ASP 178 Ca 0.15 -0.26 0.09 0.00 0.02 0.00 0.00 57.03 57.03 3n5o h ASP 178 Cb 0.10 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.34 3n5o h ASP 178 CO -0.14 0.99 0.63 0.58 -1.72 0.00 0.00 179.24 179.59 3n5o h VAL 179 N 0.84 1.02 0.03 -1.35 2.07 -1.19 -2.22 116.25 115.45 3n5o h VAL 179 Ca 0.15 -0.37 -0.25 0.00 0.82 0.00 0.00 66.70 67.05 3n5o h VAL 179 Cb 0.56 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3n5o h VAL 179 CO 0.03 0.20 -1.23 0.00 0.02 0.00 0.00 177.57 176.59 3n5o h LEU 181 N 0.02 0.26 0.01 0.00 5.85 -0.70 -3.03 115.31 117.72 3n5o h LEU 181 Ca -0.11 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.32 3n5o h LEU 181 Cb 1.87 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 3n5o h LEU 181 CO 0.13 0.50 -0.10 0.58 -0.34 0.00 0.00 178.44 179.21 3n5o h VAL 182 N 0.01 0.74 0.00 1.05 2.07 -1.56 -0.62 116.25 117.94 3n5o h VAL 182 Ca 0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3n5o h VAL 182 Cb 0.37 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3n5o h VAL 182 CO 0.01 0.00 -0.33 -0.65 0.02 0.00 0.00 177.57 176.61 3n5o h PRO 183 N -0.18 0.00 -0.29 1.57 0.11 -1.73 -2.06 132.00 129.42 3n5o h PRO 183 Ca 0.04 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 3n5o h PRO 183 Cb 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3n5o h PRO 183 CO -0.10 0.33 -0.24 0.00 -0.21 0.00 0.00 178.00 177.78 3n5o h ALA 184 N 1.67 1.05 -0.30 -0.75 0.00 -1.30 -1.19 119.26 118.44 3n5o h ALA 184 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3n5o h ALA 184 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3n5o h ALA 184 CO 0.04 0.57 -0.01 0.28 0.00 0.00 0.00 179.25 180.14 3n5o h VAL 185 N 0.49 1.26 -0.90 0.00 2.07 -0.70 0.46 116.25 118.94 3n5o h VAL 185 Ca 0.07 -0.97 0.09 0.00 0.82 0.00 0.00 66.70 66.71 3n5o h VAL 185 Cb 0.68 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3n5o h VAL 185 CO 0.05 0.31 0.55 -0.50 0.02 0.00 0.00 177.57 178.00 3n5o h TRP 186 N 0.32 1.00 -0.38 1.57 6.55 -1.12 -1.16 115.95 122.73 3n5o h TRP 186 Ca 0.08 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.89 3n5o h TRP 186 Cb 0.46 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.43 3n5o h TRP 186 CO 0.04 0.44 -0.01 0.00 -1.05 0.00 0.00 178.44 177.86 3n5o h ALA 187 N 1.46 0.51 -0.05 1.49 0.00 -1.03 -3.11 119.26 118.54 3n5o h ALA 187 Ca 0.42 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3n5o h ALA 187 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3n5o h ALA 187 CO -0.23 0.29 -0.39 0.00 0.00 0.00 0.00 179.25 178.93 3n5o h ALA 188 N 0.87 1.25 0.00 0.00 0.00 -0.39 -2.04 119.26 118.95 3n5o h ALA 188 Ca 0.11 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3n5o h ALA 188 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3n5o h ALA 188 CO 0.02 0.53 -0.35 0.93 0.00 0.00 0.00 179.25 180.38 3n5o h GLU 189 N 0.09 0.00 -0.05 0.00 5.08 -1.17 -2.03 114.58 116.50 3n5o h GLU 189 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3n5o h GLU 189 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 3n5o h GLU 189 CO 0.06 0.35 0.02 0.00 -1.00 0.00 0.00 179.01 178.43 3n5o h ARG 190 N 0.00 0.06 -0.57 2.33 3.08 -1.30 -2.29 114.38 115.69 3n5o h ARG 190 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3n5o h ARG 190 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3n5o h ARG 190 CO 0.05 0.06 0.00 1.33 -1.07 0.00 0.00 179.97 180.33 3n5o n VAL 191 N -4.51 1.18 -2.04 2.04 0.24 -0.97 -4.97 118.33 109.29 3n5o n VAL 191 Ca -0.02 -1.07 -0.02 0.00 -2.04 0.00 0.00 64.34 61.19 3n5o n VAL 191 Cb 0.10 0.41 -0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3n5o n VAL 191 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3n5o n GLY 192 N 1.11 0.30 3.77 7.63 0.00 -0.86 -4.51 105.19 112.62 3n5o n GLY 192 Ca 0.20 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 3n5o n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3n5o s MET 193 N -4.11 3.97 -0.65 1.61 0.00 -0.80 -4.96 119.30 114.35 3n5o s MET 193 Ca 0.00 2.06 -0.20 0.00 0.00 0.00 0.00 55.69 57.55 3n5o s MET 193 Cb -0.00 -2.72 0.10 0.00 0.00 0.00 0.00 34.83 32.21 3n5o s MET 193 CO 0.00 -0.46 0.84 0.34 0.00 0.00 0.00 175.02 175.74 3n5o s ASP 194 N -0.87 6.23 0.52 1.11 2.15 -1.26 -4.72 116.67 119.84 3n5o s ASP 194 Ca 0.57 -1.36 0.25 0.00 0.43 0.00 0.00 52.55 52.44 3n5o s ASP 194 Cb -0.36 -2.35 1.45 0.00 -0.30 0.00 0.00 42.92 41.36 3n5o s ASP 194 CO 0.46 -1.22 2.10 0.25 -0.17 0.00 0.00 175.17 176.59 3n5o h LEU 195 N 10.46 0.00 -0.94 -1.34 5.85 -1.95 -2.18 115.31 125.21 3n5o h LEU 195 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3n5o h LEU 195 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3n5o h LEU 195 CO 1.12 0.10 0.00 0.00 -0.34 0.00 0.00 178.44 179.32 3n5o h ALA 196 N 1.90 1.00 0.00 1.25 0.00 -1.99 -0.41 119.26 121.01 3n5o h ALA 196 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n5o h ALA 196 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3n5o h ALA 196 CO 0.01 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.13 3n5o n ARG 197 N -2.36 0.16 -3.74 0.00 0.63 -0.82 -4.08 116.66 106.45 3n5o n ARG 197 Ca 0.01 0.50 -0.28 0.00 -0.92 0.00 0.00 57.85 57.16 3n5o n ARG 197 Cb 0.21 -1.88 -0.11 0.00 0.45 0.00 0.00 32.46 31.13 3n5o n ARG 197 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3n5o n PHE 198 N -2.19 2.17 -0.07 -0.14 3.72 -0.16 -5.00 117.46 115.79 3n5o n PHE 198 Ca 0.01 -4.04 -0.10 0.00 -0.05 0.00 0.00 57.45 53.26 3n5o n PHE 198 Cb 0.15 -0.39 0.04 0.00 -0.94 0.00 0.00 39.48 38.33 3n5o n PHE 198 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3n5o h PRO 199 N 5.38 0.77 -0.24 -1.08 0.13 -1.76 0.10 132.00 135.29 3n5o h PRO 199 Ca 0.18 -0.39 -0.09 0.00 -0.87 0.00 0.00 66.00 64.83 3n5o h PRO 199 Cb 0.79 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 3n5o h PRO 199 CO 0.63 1.02 -0.20 0.82 -0.23 0.00 0.00 178.00 180.04 3n5o h ILE 200 N 0.63 1.31 -0.68 -3.56 2.04 -1.94 -1.25 117.51 114.07 3n5o h ILE 200 Ca 0.05 -1.35 0.08 0.00 1.00 0.00 0.00 64.86 64.65 3n5o h ILE 200 Cb 0.94 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 3n5o h ILE 200 CO 0.09 0.42 0.35 0.74 0.00 0.00 0.00 178.15 179.74 3n5o h THR 201 N 0.27 0.89 -0.56 -0.27 2.02 -1.85 -1.01 112.91 112.40 3n5o h THR 201 Ca 0.04 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3n5o h THR 201 Cb 0.75 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3n5o h THR 201 CO 0.05 0.11 0.21 0.50 0.37 0.00 0.00 175.52 176.76 3n5o h LYS 202 N 0.61 0.84 -0.23 6.66 3.64 -0.68 0.61 116.57 128.02 3n5o h LYS 202 Ca 0.33 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3n5o h LYS 202 Cb 0.30 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3n5o h LYS 202 CO -0.24 0.74 0.11 -0.09 -2.27 0.00 0.00 179.45 177.70 3n5o h ARG 203 N 0.76 0.23 -0.50 1.90 2.43 -0.67 -0.44 114.38 118.10 3n5o h ARG 203 Ca 0.18 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3n5o h ARG 203 Cb 0.23 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3n5o h ARG 203 CO -0.01 0.15 0.10 0.28 -1.51 0.00 0.00 179.97 178.98 3n5o h VAL 204 N 0.24 1.24 -0.62 0.20 2.07 -1.00 0.34 116.25 118.72 3n5o h VAL 204 Ca 0.09 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3n5o h VAL 204 Cb 0.03 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3n5o h VAL 204 CO -0.07 0.32 0.37 0.15 0.02 0.00 0.00 177.57 178.36 3n5o h PHE 205 N 0.69 0.69 -0.17 1.57 3.57 -0.67 -0.05 116.94 122.56 3n5o h PHE 205 Ca 0.15 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 3n5o h PHE 205 Cb 0.36 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3n5o h PHE 205 CO 0.02 0.38 -0.29 0.93 -2.23 0.00 0.00 178.31 177.12 3n5o h GLU 206 N 0.72 0.33 -0.58 1.11 5.08 -0.63 -1.72 114.58 118.89 3n5o h GLU 206 Ca 0.25 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3n5o h GLU 206 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3n5o h GLU 206 CO -0.12 0.60 0.08 1.49 -1.00 0.00 0.00 179.01 180.06 3n5o h GLU 207 N 0.29 0.97 -0.23 2.33 4.57 -0.31 -2.79 114.58 119.41 3n5o h GLU 207 Ca 0.04 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 57.90 3n5o h GLU 207 Cb 0.67 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3n5o h GLU 207 CO 0.05 0.93 -0.09 0.52 -1.18 0.00 0.00 179.01 179.24 3n5o h MET 208 N 0.87 0.37 0.00 1.92 2.86 -0.34 -2.86 114.93 117.75 3n5o h MET 208 Ca 0.17 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3n5o h MET 208 Cb 0.45 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3n5o h MET 208 CO 0.01 0.48 0.00 -0.07 1.06 0.00 0.00 176.91 178.39 3n5o h LEU 209 N 0.35 0.00 -1.02 1.22 3.38 -1.05 -1.41 115.31 116.78 3n5o h LEU 209 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3n5o h LEU 209 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3n5o h LEU 209 CO 0.02 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.66 3n5o h LYS 210 N 0.00 0.00 -6.46 1.13 1.57 -1.53 -3.43 116.57 107.85 3n5o h LYS 210 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3n5o h LYS 210 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3n5o h LYS 210 CO 0.00 0.00 0.54 -1.21 -0.57 0.00 0.00 179.45 178.21 3n5o s GLU 211 N -3.51 4.45 0.27 3.15 0.41 -0.53 -4.92 118.70 118.01 3n5o s GLU 211 Ca 0.03 1.70 -0.01 0.00 -0.41 0.00 0.00 54.97 56.28 3n5o s GLU 211 Cb 0.08 -3.38 0.48 0.00 -1.78 0.00 0.00 34.13 29.53 3n5o s GLU 211 CO 0.55 -0.24 1.85 1.49 -0.49 0.00 0.00 175.26 178.43 3n5o h GLU 212 N 6.86 1.03 -0.84 1.61 4.81 -1.88 -2.02 114.58 124.16 3n5o h GLU 212 Ca -0.41 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3n5o h GLU 212 Cb 1.21 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3n5o h GLU 212 CO 0.81 0.68 0.55 0.00 -0.73 0.00 0.00 179.01 180.32 3n5o h ALA 213 N 1.50 1.42 -0.21 2.92 0.00 -1.91 -0.22 119.26 122.77 3n5o h ALA 213 Ca 0.47 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 3n5o h ALA 213 Cb 0.35 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3n5o h ALA 213 CO -0.23 0.52 -0.52 0.28 0.00 0.00 0.00 179.25 179.31 3n5o h VAL 214 N 1.11 1.31 -0.76 0.00 2.07 -1.66 -2.65 116.25 115.67 3n5o h VAL 214 Ca 0.31 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 3n5o h VAL 214 Cb -0.09 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3n5o h VAL 214 CO -0.07 0.55 0.29 1.56 0.02 0.00 0.00 177.57 179.91 3n5o h GLN 215 N 0.43 1.14 -0.17 1.57 1.08 -1.00 -0.96 115.11 117.21 3n5o h GLN 215 Ca -0.01 -0.21 0.04 0.00 -1.45 0.00 0.00 58.65 57.02 3n5o h GLN 215 Cb 1.13 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 3n5o h GLN 215 CO 0.11 0.94 0.12 0.87 -0.95 0.00 0.00 178.83 179.92 3n5o h LYS 216 N 1.10 0.03 -0.01 1.46 1.57 -1.02 -1.48 116.57 118.23 3n5o h LYS 216 Ca 0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3n5o h LYS 216 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3n5o h LYS 216 CO -0.02 0.02 -0.20 0.00 -0.57 0.00 0.00 179.45 178.68 3n5o n ALA 217 N -2.56 2.96 -1.74 3.86 0.00 -0.64 -4.84 120.51 117.55 3n5o n ALA 217 Ca 0.01 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 3n5o n ALA 217 Cb 0.23 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.54 3n5o n ALA 217 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3n5o n HIS 218 N -0.48 2.58 0.27 0.00 -0.00 -0.46 -4.81 115.22 112.32 3n5o n HIS 218 Ca 0.14 0.47 0.11 0.00 -0.00 0.00 0.00 57.72 58.43 3n5o n HIS 218 Cb 0.35 -2.45 0.73 0.00 -0.00 0.00 0.00 29.99 28.61 3n5o n HIS 218 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.34 176.45 3n5o h TRP 219 N 2.44 0.00 -0.00 1.57 5.08 -1.90 -1.34 115.95 121.80 3n5o h TRP 219 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 3n5o h TRP 219 Cb 1.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.43 3n5o h TRP 219 CO 0.50 0.05 -0.05 1.04 -1.28 0.00 0.00 178.44 178.70 3n5o n GLN 220 N -4.12 0.50 -0.43 0.12 6.02 -1.26 -4.00 117.38 114.20 3n5o n GLN 220 Ca -0.03 -0.08 0.07 0.00 -0.01 0.00 0.00 57.00 56.96 3n5o n GLN 220 Cb 0.14 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.08 3n5o n GLN 220 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3n5o n LYS 221 N -1.18 1.44 -3.63 -1.09 5.02 -0.50 -4.47 118.16 113.74 3n5o n LYS 221 Ca 0.14 -3.01 -0.21 0.00 -2.02 0.00 0.00 58.31 53.21 3n5o n LYS 221 Cb 0.26 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 3n5o n LYS 221 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3n5o s GLN 222 N -3.02 3.30 0.47 1.97 -1.52 -1.24 -4.87 119.66 114.75 3n5o s GLN 222 Ca 0.35 -0.76 0.20 0.00 -1.95 0.00 0.00 55.36 53.20 3n5o s GLN 222 Cb 0.34 -2.81 1.17 0.00 -0.22 0.00 0.00 33.01 31.49 3n5o s GLN 222 CO -0.04 0.21 2.02 1.05 -0.25 0.00 0.00 175.29 178.28 3n5o h GLU 223 N 0.95 0.00 -0.64 2.91 9.09 -1.96 -1.88 114.58 123.05 3n5o h GLU 223 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3n5o h GLU 223 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3n5o h GLU 223 CO 0.58 0.17 0.00 -0.40 0.05 0.00 0.00 179.01 179.41 3n5o n ASP 224 N -4.04 3.61 -4.66 3.06 5.75 -1.26 -4.89 116.55 114.12 3n5o n ASP 224 Ca -0.02 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.34 3n5o n ASP 224 Cb 0.25 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3n5o n ASP 224 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3n5o s THR 225 N -1.15 3.53 0.73 2.12 2.01 -0.71 -4.78 115.64 117.39 3n5o s THR 225 Ca 0.45 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 62.94 3n5o s THR 225 Cb 0.24 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 69.36 3n5o s THR 225 CO 0.31 -0.06 1.25 -2.84 -0.69 0.00 0.00 174.62 172.59 3n5o s PRO 226 N 4.01 2.08 0.23 4.92 0.02 -1.26 -4.83 135.00 140.17 3n5o s PRO 226 Ca 0.74 1.90 -0.06 0.00 0.02 0.00 0.00 61.00 63.61 3n5o s PRO 226 Cb -0.34 -1.81 0.39 0.00 0.02 0.00 0.00 34.50 32.76 3n5o s PRO 226 CO 0.30 -1.91 1.76 1.49 -0.33 0.00 0.00 177.00 178.31 3n5o h GLU 227 N -0.20 0.53 0.00 5.54 4.57 -1.98 -1.47 114.58 121.57 3n5o h GLU 227 Ca -0.49 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3n5o h GLU 227 Cb 1.32 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3n5o h GLU 227 CO 0.50 0.35 0.00 -0.44 -1.18 0.00 0.00 179.01 178.23 3n5o h ASP 228 N 0.54 0.00 -0.24 1.04 5.19 -2.03 -2.30 116.42 118.62 3n5o h ASP 228 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 3n5o h ASP 228 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 3n5o h ASP 228 CO -0.32 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 175.98 3n5o n LEU 229 N -2.96 2.86 0.00 1.55 4.77 -0.56 -5.26 117.00 117.40 3n5o n LEU 229 Ca -0.02 -1.42 0.13 0.00 -0.03 0.00 0.00 56.01 54.67 3n5o n LEU 229 Cb 0.14 -0.15 0.78 0.00 -2.33 0.00 0.00 43.42 41.86 3n5o n LEU 229 CO 0.21 0.61 0.96 0.54 -1.33 0.00 0.00 177.39 178.38