#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tmi s SER 3 N 0.00 -0.15 0.22 3.14 1.04 -1.26 -0.67 113.70 116.02 1tmi s SER 3 Ca 0.00 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.04 1tmi s SER 3 Cb 0.00 0.42 0.18 0.00 0.10 0.00 0.00 66.02 66.72 1tmi s SER 3 CO 0.00 -0.77 1.73 -0.07 0.98 0.00 0.00 173.24 175.11 1tmi h LEU 4 N 2.65 1.01 -8.20 2.42 3.38 -0.63 -3.46 115.31 112.48 1tmi h LEU 4 Ca -0.33 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 1tmi h LEU 4 Cb 1.23 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 1tmi h LEU 4 CO 0.48 0.98 -0.48 -0.83 0.09 0.00 0.00 178.44 178.68 1tmi s GLY 5 N -3.52 0.63 -0.11 0.83 0.00 -0.36 -3.62 107.32 101.16 1tmi s GLY 5 Ca -0.11 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.53 1tmi s GLY 5 CO 0.84 -1.08 -0.23 0.50 0.00 0.00 0.00 173.10 173.13 1tmi s ARG 6 N -3.98 3.03 -0.15 2.90 0.52 0.56 -0.92 118.95 120.90 1tmi s ARG 6 Ca 0.17 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1tmi s ARG 6 Cb 0.05 -2.34 0.03 0.00 0.52 0.00 0.00 34.95 33.22 1tmi s ARG 6 CO -0.02 0.12 -0.12 -1.58 0.02 0.00 0.00 175.30 173.72 1tmi s HIS 7 N 0.49 2.07 -0.26 -0.53 2.46 0.11 -0.65 115.29 118.97 1tmi s HIS 7 Ca -0.15 -1.19 -0.11 0.00 0.47 0.00 0.00 55.06 54.08 1tmi s HIS 7 Cb -0.17 -1.53 -0.05 0.00 -0.13 0.00 0.00 32.58 30.70 1tmi s HIS 7 CO 0.06 -0.65 0.18 -0.51 -2.47 0.00 0.00 174.74 171.34 1tmi s LEU 8 N 1.52 4.04 -0.40 8.88 1.43 0.64 -0.32 118.68 134.47 1tmi s LEU 8 Ca 0.04 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1tmi s LEU 8 Cb -0.13 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1tmi s LEU 8 CO -0.10 -0.01 0.25 -0.69 0.23 0.00 0.00 176.35 176.04 1tmi s VAL 9 N 1.49 4.67 0.06 -1.59 1.01 -0.18 -0.81 120.40 125.05 1tmi s VAL 9 Ca 0.07 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.19 1tmi s VAL 9 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1tmi s VAL 9 CO 0.08 -0.33 -0.26 0.00 0.00 0.00 0.00 175.10 174.58 1tmi s ALA 10 N 1.56 2.27 -0.19 5.51 0.00 0.24 -1.23 121.76 129.92 1tmi s ALA 10 Ca 0.03 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 1tmi s ALA 10 Cb -0.20 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1tmi s ALA 10 CO 0.06 0.53 -0.09 -1.21 0.00 0.00 0.00 175.76 175.06 1tmi s GLU 11 N -1.38 3.31 -0.21 0.00 0.41 0.40 -1.56 118.70 119.67 1tmi s GLU 11 Ca 0.12 -0.67 -0.05 0.00 -0.41 0.00 0.00 54.97 53.96 1tmi s GLU 11 Cb -0.10 -2.85 -0.02 0.00 -1.78 0.00 0.00 34.13 29.38 1tmi s GLU 11 CO 0.03 -0.11 -0.00 -0.06 -0.49 0.00 0.00 175.26 174.62 1tmi s PHE 12 N 1.21 3.02 0.19 1.61 2.99 -0.55 -1.83 117.98 124.63 1tmi s PHE 12 Ca 0.02 -0.57 0.09 0.00 0.00 0.00 0.00 56.93 56.47 1tmi s PHE 12 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 43.02 40.73 1tmi s PHE 12 CO -0.03 -0.33 -0.10 0.71 -0.00 0.00 0.00 175.22 175.47 1tmi s TYR 13 N 1.18 2.62 -1.33 0.36 2.02 0.68 -1.70 117.35 121.18 1tmi s TYR 13 Ca 0.03 -0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1tmi s TYR 13 Cb -0.14 -1.26 -0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1tmi s TYR 13 CO 0.01 0.53 0.62 0.39 -1.57 0.00 0.00 175.55 175.53 1tmi n GLU 14 N -0.06 -4.31 -2.32 -0.62 4.71 -1.03 -1.68 120.64 115.33 1tmi n GLU 14 Ca -0.10 0.56 -0.25 0.00 -0.01 0.00 0.00 57.16 57.36 1tmi n GLU 14 Cb 0.56 -4.97 0.06 0.00 -1.01 0.00 0.00 31.44 26.08 1tmi n GLU 14 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1tmi s ASP 16 N -4.50 5.89 0.60 0.00 -1.08 0.61 -4.76 116.67 113.43 1tmi s ASP 16 Ca 0.60 0.68 0.35 0.00 -0.52 0.00 0.00 52.55 53.65 1tmi s ASP 16 Cb -0.11 -2.54 1.96 0.00 -1.46 0.00 0.00 42.92 40.77 1tmi s ASP 16 CO 0.43 -1.82 2.25 0.03 0.52 0.00 0.00 175.17 176.58 1tmi h ARG 17 N 12.46 0.00 -0.27 4.34 3.08 -1.89 -1.13 114.38 130.96 1tmi h ARG 17 Ca -0.29 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.61 1tmi h ARG 17 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 1tmi h ARG 17 CO 1.13 0.02 -0.44 0.93 -1.07 0.00 0.00 179.97 180.54 1tmi h GLU 18 N 0.00 0.78 -0.42 0.04 4.39 -1.93 -2.80 114.58 114.65 1tmi h GLU 18 Ca -0.00 -0.48 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 1tmi h GLU 18 Cb 0.09 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1tmi h GLU 18 CO 0.00 1.11 -0.00 0.28 -1.16 0.00 0.00 179.01 179.23 1tmi h VAL 19 N 0.54 1.26 0.00 3.13 2.07 -1.62 -2.89 116.25 118.74 1tmi h VAL 19 Ca 0.02 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1tmi h VAL 19 Cb 1.04 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1tmi h VAL 19 CO 0.10 0.35 -0.04 -0.07 0.02 0.00 0.00 177.57 177.94 1tmi h LEU 20 N 0.58 0.00 -2.66 2.57 3.38 -1.33 -1.71 115.31 116.14 1tmi h LEU 20 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1tmi h LEU 20 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1tmi h LEU 20 CO 0.02 0.04 0.00 -0.67 0.09 0.00 0.00 178.44 177.92 1tmi n ASP 21 N -3.71 3.79 -4.20 -0.43 2.03 -1.06 -3.88 116.55 109.09 1tmi n ASP 21 Ca -0.03 -1.99 -0.41 0.00 0.52 0.00 0.00 54.79 52.88 1tmi n ASP 21 Cb 0.13 -0.42 -0.08 0.00 -0.72 0.00 0.00 41.12 40.03 1tmi n ASP 21 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1tmi s ASN 22 N -1.10 5.76 0.34 1.67 3.84 -0.64 -4.93 114.94 119.87 1tmi s ASN 22 Ca 0.45 -2.21 0.03 0.00 0.21 0.00 0.00 52.86 51.35 1tmi s ASN 22 Cb 0.24 -2.01 0.61 0.00 -0.55 0.00 0.00 41.25 39.54 1tmi s ASN 22 CO 0.32 -0.61 1.91 1.62 -2.79 0.00 0.00 177.10 177.55 1tmi h VAL 23 N 5.78 1.18 -0.21 -5.21 3.04 -1.87 -0.04 116.25 118.92 1tmi h VAL 23 Ca -0.13 -0.63 -0.16 0.00 -1.01 0.00 0.00 66.70 64.78 1tmi h VAL 23 Cb 1.04 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1tmi h VAL 23 CO 0.81 0.23 -0.51 1.56 -1.01 0.00 0.00 177.57 178.66 1tmi h GLN 24 N 0.62 0.59 -0.14 4.17 7.50 -1.96 -1.99 115.11 123.91 1tmi h GLN 24 Ca 0.14 -0.35 -0.22 0.00 0.50 0.00 0.00 58.65 58.72 1tmi h GLN 24 Cb 0.20 0.03 0.01 0.00 0.05 0.00 0.00 27.48 27.77 1tmi h GLN 24 CO -0.01 0.96 -0.79 1.25 -1.50 0.00 0.00 178.83 178.75 1tmi h LEU 25 N 0.46 0.88 -0.33 1.46 5.85 -1.82 -2.69 115.31 119.13 1tmi h LEU 25 Ca 0.02 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1tmi h LEU 25 Cb 1.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1tmi h LEU 25 CO 0.10 1.38 0.15 0.40 -0.34 0.00 0.00 178.44 180.13 1tmi h ILE 26 N 0.50 1.17 -0.93 4.05 1.08 -0.96 -0.67 117.51 121.75 1tmi h ILE 26 Ca -0.05 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1tmi h ILE 26 Cb 1.41 0.88 -0.05 0.00 -3.07 0.00 0.00 36.82 35.99 1tmi h ILE 26 CO 0.16 0.18 0.59 -0.08 -0.69 0.00 0.00 178.15 178.30 1tmi h GLU 27 N 0.39 1.24 0.15 2.37 4.81 -1.39 -0.65 114.58 121.50 1tmi h GLU 27 Ca 0.11 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1tmi h GLU 27 Cb 0.14 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1tmi h GLU 27 CO -0.01 0.85 -0.07 0.37 -0.73 0.00 0.00 179.01 179.41 1tmi h GLN 28 N 1.27 -0.19 -0.20 1.92 4.15 -1.11 -1.68 115.11 119.26 1tmi h GLN 28 Ca 0.34 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.71 1tmi h GLN 28 Cb -0.10 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1tmi h GLN 28 CO -0.07 -0.05 -0.14 0.93 -1.93 0.00 0.00 178.83 177.57 1tmi h GLU 29 N -0.29 0.33 -0.32 1.69 4.39 -0.86 -1.03 114.58 118.49 1tmi h GLU 29 Ca -0.02 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 1tmi h GLU 29 Cb 0.23 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1tmi h GLU 29 CO 0.03 0.48 -0.25 0.52 -1.16 0.00 0.00 179.01 178.63 1tmi h MET 30 N 0.31 0.74 -0.43 2.33 2.86 -0.99 -0.82 114.93 118.94 1tmi h MET 30 Ca 0.06 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 1tmi h MET 30 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1tmi h MET 30 CO 0.03 0.99 -0.11 0.87 1.06 0.00 0.00 176.91 179.74 1tmi h LYS 31 N 0.51 0.76 -0.68 1.72 1.57 -1.05 -1.63 116.57 117.77 1tmi h LYS 31 Ca 0.06 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1tmi h LYS 31 Cb 0.82 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1tmi h LYS 31 CO 0.07 0.84 0.18 0.37 -0.57 0.00 0.00 179.45 180.34 1tmi h GLN 32 N 0.69 1.08 -0.59 3.15 5.75 -1.05 -2.02 115.11 122.10 1tmi h GLN 32 Ca 0.12 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1tmi h GLN 32 Cb 0.58 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 1tmi h GLN 32 CO 0.04 0.95 0.24 0.00 -2.65 0.00 0.00 178.83 177.41 1tmi h ALA 33 N 1.08 0.77 -0.51 3.38 0.00 -0.77 -0.16 119.26 123.05 1tmi h ALA 33 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1tmi h ALA 33 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1tmi h ALA 33 CO -0.00 0.39 0.22 0.00 0.00 0.00 0.00 179.25 179.86 1tmi h ALA 34 N 1.09 1.44 -0.30 0.00 0.00 -1.06 -1.06 119.26 119.38 1tmi h ALA 34 Ca 0.20 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1tmi h ALA 34 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1tmi h ALA 34 CO -0.02 0.44 -0.13 -0.92 0.00 0.00 0.00 179.25 178.62 1tmi h TYR 35 N 0.72 0.70 -0.67 0.00 3.20 -0.83 -1.26 116.97 118.82 1tmi h TYR 35 Ca 0.18 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1tmi h TYR 35 Cb 0.11 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 1tmi h TYR 35 CO 0.01 0.83 0.44 0.93 -1.64 0.00 0.00 178.16 178.73 1tmi h GLU 36 N 0.36 0.82 0.00 1.82 4.39 -0.35 -0.35 114.58 121.27 1tmi h GLU 36 Ca 0.07 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1tmi h GLU 36 Cb 0.64 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1tmi h GLU 36 CO 0.04 0.54 0.00 0.43 -1.16 0.00 0.00 179.01 178.86 1tmi n SER 37 N -4.45 0.07 -0.02 1.42 7.64 -0.47 -4.80 113.62 113.01 1tmi n SER 37 Ca 0.08 0.51 -0.00 0.00 1.01 0.00 0.00 58.87 60.46 1tmi n SER 37 Cb 0.09 -0.53 -0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1tmi n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tmi n GLY 38 N 0.86 0.47 3.83 0.23 0.00 -0.14 -1.93 105.19 108.52 1tmi n GLY 38 Ca 0.05 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1tmi n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tmi s ALA 39 N -1.98 2.91 -0.25 4.61 0.00 -0.50 -4.79 121.76 121.75 1tmi s ALA 39 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 1tmi s ALA 39 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1tmi s ALA 39 CO 0.00 -0.68 0.16 0.99 0.00 0.00 0.00 175.76 176.23 1tmi s THR 40 N -2.78 5.25 0.09 0.00 2.01 -1.26 -4.59 115.64 114.36 1tmi s THR 40 Ca 0.59 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 1tmi s THR 40 Cb -0.13 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1tmi s THR 40 CO 0.42 0.32 0.92 -0.63 -0.69 0.00 0.00 174.62 174.96 1tmi s ILE 41 N 1.28 4.58 -0.22 1.82 1.01 -1.26 -2.11 121.20 126.31 1tmi s ILE 41 Ca 0.07 1.96 -0.16 0.00 0.00 0.00 0.00 60.65 62.53 1tmi s ILE 41 Cb -0.14 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 1tmi s ILE 41 CO 0.06 0.32 -0.30 0.52 0.00 0.00 0.00 174.94 175.53 1tmi n VAL 42 N 2.88 1.51 -3.87 2.92 0.31 0.92 -4.93 118.33 118.07 1tmi n VAL 42 Ca 0.01 -0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 64.18 1tmi n VAL 42 Cb 0.50 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 31.22 1tmi n VAL 42 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1tmi s THR 43 N -2.67 0.05 -0.13 2.52 -4.23 -1.14 -5.01 115.64 105.04 1tmi s THR 43 Ca -0.32 -1.13 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 1tmi s THR 43 Cb 0.08 -1.71 0.06 0.00 1.34 0.00 0.00 72.50 72.27 1tmi s THR 43 CO 0.45 -0.24 0.28 -0.55 -0.54 0.00 0.00 174.62 174.01 1tmi s SER 44 N -2.92 0.07 -0.07 3.99 0.15 -1.26 -0.89 113.70 112.77 1tmi s SER 44 Ca 0.13 0.62 -0.01 0.00 0.70 0.00 0.00 55.95 57.39 1tmi s SER 44 Cb 0.02 0.66 0.03 0.00 -1.71 0.00 0.00 66.02 65.02 1tmi s SER 44 CO -0.02 -0.21 0.00 0.28 1.20 0.00 0.00 173.24 174.49 1tmi s THR 45 N 2.03 0.36 0.03 6.45 -1.32 -0.66 -5.02 115.64 117.50 1tmi s THR 45 Ca -0.03 0.13 0.05 0.00 -1.21 0.00 0.00 61.69 60.63 1tmi s THR 45 Cb -0.11 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 1tmi s THR 45 CO -0.09 0.25 -0.15 -0.36 -2.21 0.00 0.00 174.62 172.07 1tmi s PHE 46 N 1.94 1.27 0.13 9.09 0.08 -1.26 -1.44 117.98 127.79 1tmi s PHE 46 Ca 0.04 -0.32 -0.14 0.00 0.12 0.00 0.00 56.93 56.63 1tmi s PHE 46 Cb -0.12 -0.77 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1tmi s PHE 46 CO -0.05 0.02 0.36 -3.38 -0.10 0.00 0.00 175.22 172.08 1tmi s HIS 47 N -0.70 -0.05 -0.19 0.36 -3.43 0.04 -5.01 115.29 106.32 1tmi s HIS 47 Ca 0.03 -0.30 -0.05 0.00 -0.80 0.00 0.00 55.06 53.94 1tmi s HIS 47 Cb -0.07 0.18 0.07 0.00 -1.43 0.00 0.00 32.58 31.33 1tmi s HIS 47 CO 0.01 -0.71 0.13 0.50 -2.00 0.00 0.00 174.74 172.67 1tmi s ARG 48 N -3.85 0.11 -0.41 -0.38 3.52 -1.26 -1.13 118.95 115.54 1tmi s ARG 48 Ca 0.06 -0.01 -0.09 0.00 -0.13 0.00 0.00 55.73 55.56 1tmi s ARG 48 Cb 0.02 -1.61 0.08 0.00 -1.56 0.00 0.00 34.95 31.87 1tmi s ARG 48 CO -0.09 -0.68 0.25 -0.06 -0.81 0.00 0.00 175.30 173.91 1tmi s PHE 49 N 2.20 3.34 0.00 5.12 0.08 -1.25 -5.00 117.98 122.46 1tmi s PHE 49 Ca 0.04 -1.55 0.00 0.00 0.12 0.00 0.00 56.93 55.54 1tmi s PHE 49 Cb -0.16 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1tmi s PHE 49 CO -0.11 -0.85 0.00 1.28 -0.10 0.00 0.00 175.22 175.44 1tmi n LEU 50 N 4.90 0.00 0.00 -0.37 4.77 -1.26 0.62 117.00 125.66 1tmi n LEU 50 Ca -0.10 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.92 1tmi n LEU 50 Cb 0.43 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.69 1tmi n LEU 50 CO 0.39 0.00 0.57 -0.81 -1.33 0.00 0.00 177.39 176.21 1tmi n PRO 51 N -0.86 0.06 0.00 3.23 -0.04 -1.26 -4.78 135.00 131.35 1tmi n PRO 51 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1tmi n PRO 51 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1tmi n PRO 51 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1tmi n TYR 52 N -1.37 0.00 0.00 0.54 4.01 0.20 -5.17 117.16 115.38 1tmi n TYR 52 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1tmi n TYR 52 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1tmi n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tmi n GLY 53 N 3.33 2.84 3.58 2.72 0.00 -1.25 -4.79 105.19 111.62 1tmi n GLY 53 Ca 0.00 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1tmi n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tmi s VAL 54 N 4.26 3.59 -0.00 1.61 1.01 -1.24 -3.91 120.40 125.71 1tmi s VAL 54 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1tmi s VAL 54 Cb 0.00 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1tmi s VAL 54 CO 0.00 0.41 -0.10 -0.55 0.00 0.00 0.00 175.10 174.85 1tmi s SER 55 N -1.36 1.22 -0.08 3.32 0.15 -0.28 -0.56 113.70 116.10 1tmi s SER 55 Ca 0.16 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.29 1tmi s SER 55 Cb -0.11 -0.12 0.12 0.00 -1.71 0.00 0.00 66.02 64.19 1tmi s SER 55 CO 0.07 0.11 0.97 -0.83 1.20 0.00 0.00 173.24 174.75 1tmi s GLY 56 N -0.37 -0.38 -0.02 9.45 0.00 -0.51 -0.78 107.32 114.72 1tmi s GLY 56 Ca 0.03 1.39 -0.01 0.00 0.00 0.00 0.00 44.72 46.13 1tmi s GLY 56 CO -0.00 0.56 0.05 0.54 0.00 0.00 0.00 173.10 174.25 1tmi s VAL 57 N -2.45 -0.02 -0.34 1.40 0.11 -0.52 -1.58 120.40 117.00 1tmi s VAL 57 Ca 0.04 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1tmi s VAL 57 Cb -0.01 -0.09 0.08 0.00 -1.53 0.00 0.00 36.38 34.82 1tmi s VAL 57 CO -0.05 0.03 0.07 -0.69 -3.33 0.00 0.00 175.10 171.12 1tmi s VAL 58 N 0.37 2.94 -0.00 2.04 1.01 0.65 -1.65 120.40 125.77 1tmi s VAL 58 Ca -0.03 -1.74 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 1tmi s VAL 58 Cb -0.04 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1tmi s VAL 58 CO -0.01 -0.35 1.00 -0.69 0.00 0.00 0.00 175.10 175.04 1tmi s VAL 59 N 1.16 4.81 0.49 2.92 1.01 -0.07 -1.10 120.40 129.62 1tmi s VAL 59 Ca 0.01 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.03 1tmi s VAL 59 Cb -0.21 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 1tmi s VAL 59 CO -0.03 0.15 0.03 0.27 0.00 0.00 0.00 175.10 175.51 1tmi s ILE 60 N 1.09 1.06 -0.23 2.22 -4.36 -0.62 -0.05 121.20 120.31 1tmi s ILE 60 Ca 0.52 -2.00 -0.35 0.00 -0.26 0.00 0.00 60.65 58.56 1tmi s ILE 60 Cb -0.21 -2.22 -0.11 0.00 1.25 0.00 0.00 42.46 41.17 1tmi s ILE 60 CO 0.27 0.00 2.02 -1.20 0.24 0.00 0.00 174.94 176.27 1tmi n SER 61 N -1.27 2.79 -1.54 4.36 7.64 -0.89 -1.61 113.62 123.10 1tmi n SER 61 Ca -0.16 0.69 -0.12 0.00 1.01 0.00 0.00 58.87 60.28 1tmi n SER 61 Cb 0.67 -1.32 -0.04 0.00 -1.01 0.00 0.00 64.21 62.50 1tmi n SER 61 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tmi n GLU 62 N 7.31 -1.43 -0.57 1.43 1.02 -1.26 -4.44 120.64 122.70 1tmi n GLU 62 Ca 0.31 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 1tmi n GLU 62 Cb 0.26 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 26.69 1tmi n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tmi n ALA 63 N -0.04 0.00 -3.51 0.62 0.00 -0.63 -4.75 120.51 112.19 1tmi n ALA 63 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1tmi n ALA 63 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1tmi n ALA 63 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1tmi s HIS 64 N -5.57 -0.42 -0.16 0.00 -3.43 -0.72 -1.59 115.29 103.41 1tmi s HIS 64 Ca 0.00 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.73 1tmi s HIS 64 Cb 0.00 0.50 0.02 0.00 -1.43 0.00 0.00 32.58 31.67 1tmi s HIS 64 CO 0.00 -0.54 -0.14 -0.51 -2.00 0.00 0.00 174.74 171.55 1tmi s LEU 65 N -1.97 1.79 0.17 5.38 1.43 -0.26 -0.36 118.68 124.85 1tmi s LEU 65 Ca 0.00 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1tmi s LEU 65 Cb -0.01 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1tmi s LEU 65 CO -0.04 -0.07 -0.18 0.42 0.23 0.00 0.00 176.35 176.72 1tmi s THR 66 N 1.46 1.78 -0.15 5.49 -4.23 -0.13 -0.25 115.64 119.61 1tmi s THR 66 Ca 0.04 -1.93 -0.13 0.00 -1.18 0.00 0.00 61.69 58.48 1tmi s THR 66 Cb -0.13 -1.84 0.04 0.00 1.34 0.00 0.00 72.50 71.91 1tmi s THR 66 CO -0.11 -0.35 0.39 -0.51 -0.54 0.00 0.00 174.62 173.51 1tmi s ILE 67 N -2.15 -0.00 -0.08 2.99 2.07 -0.62 -1.20 121.20 122.21 1tmi s ILE 67 Ca 0.16 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.39 1tmi s ILE 67 Cb -0.05 -0.56 0.03 0.00 0.13 0.00 0.00 42.46 42.01 1tmi s ILE 67 CO 0.06 0.00 0.01 -1.00 -1.91 0.00 0.00 174.94 172.11 1tmi s HIS 68 N 0.32 0.64 0.07 3.50 3.76 -0.51 -1.42 115.29 121.65 1tmi s HIS 68 Ca -0.01 -0.18 0.04 0.00 -0.15 0.00 0.00 55.06 54.76 1tmi s HIS 68 Cb -0.03 -0.79 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 1tmi s HIS 68 CO -0.01 -0.34 0.02 0.95 -0.85 0.00 0.00 174.74 174.51 1tmi s THR 69 N 1.98 4.15 -0.58 1.30 -4.23 0.27 -0.61 115.64 117.93 1tmi s THR 69 Ca 0.05 -0.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 1tmi s THR 69 Cb -0.13 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 70.92 1tmi s THR 69 CO -0.05 0.16 0.42 0.26 -0.54 0.00 0.00 174.62 174.87 1tmi s TRP 70 N -1.29 2.65 0.30 3.99 0.51 0.37 -3.70 118.94 121.76 1tmi s TRP 70 Ca 0.26 -2.94 0.06 0.00 -2.12 0.00 0.00 56.10 51.35 1tmi s TRP 70 Cb -0.12 -2.08 0.80 0.00 -0.81 0.00 0.00 33.47 31.26 1tmi s TRP 70 CO 0.18 -0.66 1.69 -1.35 -0.51 0.00 0.00 176.95 176.30 1tmi h PRO 71 N 5.62 0.37 0.00 4.98 0.11 -1.84 0.12 132.00 141.36 1tmi h PRO 71 Ca 0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1tmi h PRO 71 Cb 0.82 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1tmi h PRO 71 CO 0.59 0.25 0.00 1.05 -0.21 0.00 0.00 178.00 179.68 1tmi h GLU 72 N 0.39 0.00 -0.01 1.05 9.09 -1.94 -1.62 114.58 121.54 1tmi h GLU 72 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.01 1tmi h GLU 72 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1tmi h GLU 72 CO -0.55 0.00 -0.02 0.66 0.05 0.00 0.00 179.01 179.14 1tmi n TYR 73 N -2.92 0.00 -1.79 2.06 4.01 -0.05 -4.97 117.16 113.50 1tmi n TYR 73 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 1tmi n TYR 73 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 1tmi n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tmi n GLY 74 N 0.38 1.11 3.70 2.72 0.00 -0.61 -4.56 105.19 107.93 1tmi n GLY 74 Ca 0.03 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1tmi n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tmi s TYR 75 N -2.75 3.07 -0.03 1.61 5.04 -1.09 -0.73 117.35 122.46 1tmi s TYR 75 Ca 0.00 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.66 1tmi s TYR 75 Cb 0.00 -1.61 0.02 0.00 0.35 0.00 0.00 41.96 40.72 1tmi s TYR 75 CO 0.00 0.48 0.07 0.00 -1.34 0.00 0.00 175.55 174.76 1tmi s ALA 76 N -1.22 -0.09 -0.38 3.97 0.00 -0.69 -0.48 121.76 122.87 1tmi s ALA 76 Ca 0.23 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 1tmi s ALA 76 Cb -0.12 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1tmi s ALA 76 CO 0.15 -0.08 0.28 0.00 0.00 0.00 0.00 175.76 176.11 1tmi s ALA 77 N 0.65 3.49 -0.04 0.00 0.00 0.22 -1.48 121.76 124.60 1tmi s ALA 77 Ca -0.05 -1.59 0.06 0.00 0.00 0.00 0.00 51.96 50.38 1tmi s ALA 77 Cb -0.07 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1tmi s ALA 77 CO -0.02 -1.29 -0.22 0.42 0.00 0.00 0.00 175.76 174.65 1tmi s ILE 78 N 1.71 2.42 -0.09 0.00 1.01 -0.60 -1.43 121.20 124.24 1tmi s ILE 78 Ca 0.06 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1tmi s ILE 78 Cb -0.18 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.41 1tmi s ILE 78 CO 0.10 0.58 -0.12 -1.81 0.00 0.00 0.00 174.94 173.70 1tmi s ASP 79 N -0.56 2.01 -0.39 3.58 1.01 -0.34 -0.59 116.67 121.39 1tmi s ASP 79 Ca 0.08 -0.33 0.03 0.00 0.71 0.00 0.00 52.55 53.04 1tmi s ASP 79 Cb -0.11 -0.89 0.11 0.00 1.01 0.00 0.00 42.92 43.05 1tmi s ASP 79 CO 0.00 -0.01 0.13 -0.76 0.21 0.00 0.00 175.17 174.74 1tmi s LEU 80 N 0.97 4.08 -0.27 1.23 1.43 0.01 -0.95 118.68 125.17 1tmi s LEU 80 Ca -0.08 -2.33 -0.07 0.00 -1.03 0.00 0.00 54.13 50.61 1tmi s LEU 80 Cb -0.15 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1tmi s LEU 80 CO -0.00 -0.34 0.07 0.12 0.23 0.00 0.00 176.35 176.43 1tmi s PHE 81 N 0.67 3.10 0.12 0.29 2.19 0.51 -0.26 117.98 124.60 1tmi s PHE 81 Ca 0.13 -0.66 0.06 0.00 0.33 0.00 0.00 56.93 56.79 1tmi s PHE 81 Cb -0.21 -2.25 -0.04 0.00 -1.31 0.00 0.00 43.02 39.22 1tmi s PHE 81 CO -0.08 -0.46 -0.14 0.95 1.83 0.00 0.00 175.22 177.33 1tmi s THR 82 N 1.57 1.31 -0.05 0.12 -4.23 0.17 -1.75 115.64 112.77 1tmi s THR 82 Ca 0.05 -1.71 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1tmi s THR 82 Cb -0.16 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.18 1tmi s THR 82 CO 0.03 -0.42 -0.11 0.00 -0.54 0.00 0.00 174.62 173.58 1tmi n GLY 84 N 3.74 3.24 0.16 0.00 0.00 -1.24 -4.62 105.19 106.47 1tmi n GLY 84 Ca -0.22 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.44 1tmi n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tmi h GLU 85 N 0.00 0.00 -0.01 1.61 3.07 -1.95 -1.83 114.58 115.47 1tmi h GLU 85 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1tmi h GLU 85 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1tmi h GLU 85 CO 0.00 0.00 -0.31 -0.25 -1.40 0.00 0.00 179.01 177.05 1tmi n ASP 86 N -2.35 0.82 -4.26 1.42 8.00 -1.26 -4.77 116.55 114.14 1tmi n ASP 86 Ca 0.01 -0.66 -0.34 0.00 0.71 0.00 0.00 54.79 54.50 1tmi n ASP 86 Cb 0.16 0.14 -0.14 0.00 -0.02 0.00 0.00 41.12 41.26 1tmi n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tmi s VAL 87 N -2.65 3.04 -0.36 2.53 1.01 -0.69 -4.69 120.40 118.60 1tmi s VAL 87 Ca 0.21 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1tmi s VAL 87 Cb 0.19 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 34.25 1tmi s VAL 87 CO 0.57 0.45 0.14 -0.62 0.00 0.00 0.00 175.10 175.64 1tmi s ASP 88 N 1.41 5.42 0.54 3.32 2.15 -0.81 -4.73 116.67 123.97 1tmi s ASP 88 Ca 0.05 -1.19 0.20 0.00 0.43 0.00 0.00 52.55 52.04 1tmi s ASP 88 Cb -0.14 -1.91 1.41 0.00 -0.30 0.00 0.00 42.92 41.99 1tmi s ASP 88 CO -0.06 -0.37 2.16 1.55 -0.17 0.00 0.00 175.17 178.29 1tmi h PRO 89 N 8.27 0.00 0.00 4.34 0.13 -1.90 -2.11 132.00 140.73 1tmi h PRO 89 Ca -0.23 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1tmi h PRO 89 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1tmi h PRO 89 CO 0.63 0.00 -0.16 -1.49 -0.23 0.00 0.00 178.00 176.76 1tmi h TRP 90 N 0.00 0.00 -0.26 1.56 4.06 -1.95 -1.65 115.95 117.72 1tmi h TRP 90 Ca 0.02 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.79 1tmi h TRP 90 Cb 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1tmi h TRP 90 CO 0.00 0.16 -0.54 0.87 -3.56 0.00 0.00 178.44 175.37 1tmi h LYS 91 N 0.00 0.76 -0.48 0.49 1.79 -1.71 -1.81 116.57 115.62 1tmi h LYS 91 Ca -0.00 -0.48 -0.08 0.00 -2.18 0.00 0.00 60.65 57.91 1tmi h LYS 91 Cb 0.48 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1tmi h LYS 91 CO 0.02 1.10 -0.02 0.00 -1.08 0.00 0.00 179.45 179.47 1tmi h ALA 92 N 0.80 0.65 -0.38 3.86 0.00 -1.51 -2.70 119.26 119.98 1tmi h ALA 92 Ca 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1tmi h ALA 92 Cb 1.12 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1tmi h ALA 92 CO 0.11 0.47 0.13 0.35 0.00 0.00 0.00 179.25 180.31 1tmi h PHE 93 N 0.71 0.22 -0.23 0.00 3.57 -1.18 -1.47 116.94 118.57 1tmi h PHE 93 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1tmi h PHE 93 Cb 0.54 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1tmi h PHE 93 CO 0.04 0.08 0.13 1.49 -2.23 0.00 0.00 178.31 177.83 1tmi h GLU 94 N 0.28 0.27 -0.35 1.11 4.57 -1.20 0.18 114.58 119.44 1tmi h GLU 94 Ca 0.18 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1tmi h GLU 94 Cb 0.16 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1tmi h GLU 94 CO -0.19 0.18 0.19 1.25 -1.18 0.00 0.00 179.01 179.26 1tmi h HIS 95 N 0.28 0.49 -0.60 0.92 2.76 -1.29 -2.02 115.15 115.68 1tmi h HIS 95 Ca 0.09 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1tmi h HIS 95 Cb -0.01 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 1tmi h HIS 95 CO -0.08 0.39 0.13 -0.07 -1.30 0.00 0.00 177.93 177.01 1tmi h LEU 96 N 0.45 0.93 -1.00 0.26 3.38 -1.04 0.61 115.31 118.89 1tmi h LEU 96 Ca 0.12 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1tmi h LEU 96 Cb 0.07 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1tmi h LEU 96 CO -0.02 0.93 0.65 0.50 0.09 0.00 0.00 178.44 180.59 1tmi h LYS 97 N 0.88 1.22 -0.08 1.13 3.11 -0.48 -0.74 116.57 121.61 1tmi h LYS 97 Ca 0.19 -0.07 -0.09 0.00 -2.81 0.00 0.00 60.65 57.86 1tmi h LYS 97 Cb 0.37 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 1tmi h LYS 97 CO 0.00 0.81 -0.31 0.87 -2.81 0.00 0.00 179.45 178.01 1tmi h LYS 98 N 1.25 0.35 -0.44 1.90 1.79 -1.01 -2.50 116.57 117.93 1tmi h LYS 98 Ca 0.40 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 1tmi h LYS 98 Cb 0.02 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1tmi h LYS 98 CO -0.13 0.90 0.11 0.00 -1.08 0.00 0.00 179.45 179.25 1tmi h ALA 99 N 0.45 1.38 -0.01 3.86 0.00 -0.56 -2.75 119.26 121.64 1tmi h ALA 99 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1tmi h ALA 99 Cb 0.95 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tmi h ALA 99 CO 0.07 0.45 -0.43 1.28 0.00 0.00 0.00 179.25 180.61 1tmi n LEU 100 N -4.32 1.16 -3.63 0.00 4.32 -0.31 -4.96 117.00 109.26 1tmi n LEU 100 Ca 0.03 -0.35 -0.23 0.00 -0.02 0.00 0.00 56.01 55.44 1tmi n LEU 100 Cb 0.20 -0.10 0.07 0.00 -1.62 0.00 0.00 43.42 41.96 1tmi n LEU 100 CO 0.38 0.23 0.14 0.29 -1.22 0.00 0.00 177.39 177.21 1tmi n LYS 101 N -0.75 -6.70 -2.16 3.23 4.76 -0.97 -0.28 118.16 115.29 1tmi n LYS 101 Ca 0.09 0.76 -0.41 0.00 -2.87 0.00 0.00 58.31 55.88 1tmi n LYS 101 Cb 0.37 -5.70 -0.03 0.00 -1.84 0.00 0.00 35.03 27.83 1tmi n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tmi s ALA 102 N -3.38 3.55 -0.86 7.82 0.00 -1.05 -4.21 121.76 123.64 1tmi s ALA 102 Ca 0.36 1.17 0.20 0.00 0.00 0.00 0.00 51.96 53.69 1tmi s ALA 102 Cb -0.16 -3.50 -0.22 0.00 0.00 0.00 0.00 23.12 19.24 1tmi s ALA 102 CO 0.76 -0.59 0.80 1.63 0.00 0.00 0.00 175.76 178.37 1tmi n LYS 103 N 2.34 0.52 -3.69 0.00 4.76 -0.67 -4.92 118.16 116.50 1tmi n LYS 103 Ca 0.05 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.38 1tmi n LYS 103 Cb 0.42 -1.43 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 1tmi n LYS 103 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1tmi s ARG 104 N -2.89 0.43 0.07 1.97 3.52 -1.15 -5.03 118.95 115.86 1tmi s ARG 104 Ca 0.06 0.85 0.03 0.00 -0.13 0.00 0.00 55.73 56.54 1tmi s ARG 104 Cb 0.15 0.00 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 1tmi s ARG 104 CO 0.81 -0.16 -0.09 0.14 -0.81 0.00 0.00 175.30 175.19 1tmi s VAL 105 N 1.46 0.74 -0.05 7.11 -7.23 -1.26 -0.23 120.40 120.93 1tmi s VAL 105 Ca -0.09 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1tmi s VAL 105 Cb -0.08 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 35.91 1tmi s VAL 105 CO -0.14 -0.45 -0.01 -2.28 -0.31 0.00 0.00 175.10 171.91 1tmi s HIS 106 N -1.85 0.61 -0.02 2.82 2.46 -0.76 -4.98 115.29 113.57 1tmi s HIS 106 Ca -0.03 -0.14 0.02 0.00 0.47 0.00 0.00 55.06 55.38 1tmi s HIS 106 Cb -0.07 -0.67 0.00 0.00 -0.13 0.00 0.00 32.58 31.72 1tmi s HIS 106 CO 0.00 -0.24 -0.08 0.08 -2.47 0.00 0.00 174.74 172.03 1tmi s VAL 107 N 1.41 0.69 -0.11 0.89 1.01 -1.26 -0.45 120.40 122.58 1tmi s VAL 107 Ca -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1tmi s VAL 107 Cb -0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1tmi s VAL 107 CO -0.03 0.22 -0.17 -0.69 0.00 0.00 0.00 175.10 174.44 1tmi s VAL 108 N 0.24 2.75 -0.23 2.92 1.01 -0.36 -4.96 120.40 121.76 1tmi s VAL 108 Ca -0.03 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1tmi s VAL 108 Cb -0.08 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1tmi s VAL 108 CO 0.00 0.54 0.03 -0.70 0.00 0.00 0.00 175.10 174.98 1tmi s GLU 109 N 0.24 3.62 -0.01 2.72 2.12 -1.26 -1.01 118.70 125.12 1tmi s GLU 109 Ca -0.11 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 54.73 1tmi s GLU 109 Cb -0.16 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1tmi s GLU 109 CO 0.06 -0.10 0.01 -1.01 -0.54 0.00 0.00 175.26 173.67 1tmi s HIS 110 N 1.34 3.10 -0.45 5.30 3.76 0.56 -4.95 115.29 123.95 1tmi s HIS 110 Ca 0.05 0.10 -0.17 0.00 -0.15 0.00 0.00 55.06 54.89 1tmi s HIS 110 Cb -0.15 -1.69 0.04 0.00 1.11 0.00 0.00 32.58 31.90 1tmi s HIS 110 CO 0.02 0.47 0.43 -1.21 -0.85 0.00 0.00 174.74 173.60 1tmi s GLU 111 N -1.49 3.04 -0.10 1.40 2.02 -1.26 -0.71 118.70 121.59 1tmi s GLU 111 Ca 0.19 -1.01 -0.20 0.00 0.02 0.00 0.00 54.97 53.97 1tmi s GLU 111 Cb -0.12 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.04 1tmi s GLU 111 CO 0.10 -0.95 0.58 1.03 0.02 0.00 0.00 175.26 176.04 1tmi s ARG 112 N 1.98 4.37 -0.51 1.61 1.81 -0.10 -4.23 118.95 123.89 1tmi s ARG 112 Ca 0.09 0.63 -0.02 0.00 -1.72 0.00 0.00 55.73 54.71 1tmi s ARG 112 Cb -0.20 -3.45 -0.02 0.00 -0.45 0.00 0.00 34.95 30.83 1tmi s ARG 112 CO 0.11 0.09 0.44 0.41 -0.68 0.00 0.00 175.30 175.66 1tmi n GLY 113 N 3.25 -0.01 3.75 -3.53 0.00 -1.26 -1.22 105.19 106.16 1tmi n GLY 113 Ca -0.04 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1tmi n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tmi s ARG 114 N -3.98 4.13 0.48 1.61 0.52 -1.26 -0.99 118.95 119.46 1tmi s ARG 114 Ca 0.14 2.56 0.13 0.00 -0.52 0.00 0.00 55.73 58.04 1tmi s ARG 114 Cb -0.02 -3.03 1.13 0.00 0.52 0.00 0.00 34.95 33.55 1tmi s ARG 114 CO 0.34 -0.62 2.11 1.88 0.02 0.00 0.00 175.30 179.03 1tmi h TYR 115 N 4.84 0.13 -0.00 -0.53 0.05 -1.25 -1.17 116.97 119.04 1tmi h TYR 115 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1tmi h TYR 115 Cb 1.22 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1tmi h TYR 115 CO 0.59 0.11 -0.07 -0.40 -1.05 0.00 0.00 178.16 177.33 1tmi n ASP 116 N -4.50 0.12 -0.05 3.88 3.85 -1.26 -3.31 116.55 115.29 1tmi n ASP 116 Ca -0.01 0.12 -0.04 0.00 -0.71 0.00 0.00 54.79 54.14 1tmi n ASP 116 Cb 0.10 -0.30 -0.14 0.00 -1.35 0.00 0.00 41.12 39.42 1tmi n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1tmi n GLU 117 N -1.38 0.66 0.00 0.11 -0.58 -0.51 -5.27 120.64 113.67 1tmi n GLU 117 Ca 0.10 0.05 0.13 0.00 -0.42 0.00 0.00 57.16 57.02 1tmi n GLU 117 Cb 0.31 -1.62 0.41 0.00 -0.57 0.00 0.00 31.44 29.98 1tmi n GLU 117 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76