#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 -0.21 0.22 4.39 1.04 -1.26 -0.86 113.70 117.02 1tmi s SER 3 Ca 0.00 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 1tmi s SER 3 Cb 0.00 0.46 0.18 0.00 0.10 0.00 0.00 66.02 66.76 1tmi s SER 3 CO 0.00 -0.84 1.83 -0.07 0.98 0.00 0.00 173.24 175.13 1tmi h LEU 4 N 2.39 1.06 -8.32 2.42 3.38 -0.37 -3.46 115.31 112.41 1tmi h LEU 4 Ca -0.34 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.38 1tmi h LEU 4 Cb 1.25 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 1tmi h LEU 4 CO 0.48 0.88 -0.36 -0.83 0.09 0.00 0.00 178.44 178.69 1tmi s GLY 5 N -3.21 0.83 -0.05 0.83 0.00 -0.23 -3.70 107.32 101.78 1tmi s GLY 5 Ca -0.13 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.46 1tmi s GLY 5 CO 0.82 -0.97 -0.16 0.50 0.00 0.00 0.00 173.10 173.29 1tmi s ARG 6 N -4.05 2.54 -0.13 2.90 0.52 0.09 -0.89 118.95 119.92 1tmi s ARG 6 Ca 0.26 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1tmi s ARG 6 Cb 0.03 -2.35 0.04 0.00 0.52 0.00 0.00 34.95 33.19 1tmi s ARG 6 CO 0.07 0.56 -0.02 -1.58 0.02 0.00 0.00 175.30 174.35 1tmi s HIS 7 N -0.58 1.20 -0.28 -0.53 2.46 0.90 -0.93 115.29 117.54 1tmi s HIS 7 Ca 0.08 -0.69 -0.11 0.00 0.47 0.00 0.00 55.06 54.81 1tmi s HIS 7 Cb -0.11 -1.08 -0.05 0.00 -0.13 0.00 0.00 32.58 31.21 1tmi s HIS 7 CO 0.01 -0.51 0.19 -0.51 -2.47 0.00 0.00 174.74 171.46 1tmi s LEU 8 N 1.80 4.02 -0.41 8.88 1.43 0.26 0.41 118.68 135.08 1tmi s LEU 8 Ca 0.02 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1tmi s LEU 8 Cb -0.14 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.01 1tmi s LEU 8 CO -0.07 -0.05 0.25 -0.69 0.23 0.00 0.00 176.35 176.02 1tmi s VAL 9 N 1.76 4.53 0.00 -1.59 1.01 -0.21 -0.48 120.40 125.43 1tmi s VAL 9 Ca 0.07 -1.11 0.06 0.00 0.00 0.00 0.00 61.98 61.00 1tmi s VAL 9 Cb -0.16 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1tmi s VAL 9 CO 0.11 -0.39 -0.18 0.00 0.00 0.00 0.00 175.10 174.64 1tmi s ALA 10 N 1.51 2.56 -0.23 5.51 0.00 0.34 -1.37 121.76 130.08 1tmi s ALA 10 Ca 0.03 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1tmi s ALA 10 Cb -0.21 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 1tmi s ALA 10 CO 0.05 0.56 -0.04 -1.21 0.00 0.00 0.00 175.76 175.13 1tmi s GLU 11 N -1.11 3.27 -0.28 0.00 0.41 0.11 -1.44 118.70 119.67 1tmi s GLU 11 Ca 0.13 -0.70 -0.08 0.00 -0.41 0.00 0.00 54.97 53.91 1tmi s GLU 11 Cb -0.10 -3.04 -0.02 0.00 -1.78 0.00 0.00 34.13 29.19 1tmi s GLU 11 CO 0.03 -0.25 0.11 -0.06 -0.49 0.00 0.00 175.26 174.60 1tmi s PHE 12 N 1.46 3.13 0.15 1.61 2.99 -0.31 -1.51 117.98 125.50 1tmi s PHE 12 Ca 0.05 -0.45 0.07 0.00 0.00 0.00 0.00 56.93 56.60 1tmi s PHE 12 Cb -0.15 -2.29 -0.04 0.00 0.00 0.00 0.00 43.02 40.54 1tmi s PHE 12 CO -0.03 -0.38 -0.04 0.71 -0.00 0.00 0.00 175.22 175.48 1tmi s TYR 13 N 1.62 2.80 -1.28 0.36 2.02 0.21 -1.22 117.35 121.85 1tmi s TYR 13 Ca 0.06 -0.14 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1tmi s TYR 13 Cb -0.16 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 1tmi s TYR 13 CO 0.05 0.49 0.64 0.39 -1.57 0.00 0.00 175.55 175.56 1tmi n GLU 14 N 0.18 -3.38 -2.61 -0.62 1.02 -0.72 -1.97 120.64 112.55 1tmi n GLU 14 Ca -0.11 0.52 -0.25 0.00 -0.02 0.00 0.00 57.16 57.31 1tmi n GLU 14 Cb 0.54 -4.75 0.03 0.00 -0.02 0.00 0.00 31.44 27.24 1tmi n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tmi s ASP 16 N -4.30 5.31 0.51 0.00 -1.08 0.55 -4.70 116.67 112.95 1tmi s ASP 16 Ca 0.53 0.70 0.25 0.00 -0.52 0.00 0.00 52.55 53.50 1tmi s ASP 16 Cb -0.10 -2.52 1.35 0.00 -1.46 0.00 0.00 42.92 40.18 1tmi s ASP 16 CO 0.42 -2.28 1.95 0.03 0.52 0.00 0.00 175.17 175.81 1tmi h ARG 17 N 15.10 0.08 -0.35 4.34 3.08 -1.88 -0.13 114.38 134.62 1tmi h ARG 17 Ca -0.28 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.61 1tmi h ARG 17 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1tmi h ARG 17 CO 1.16 0.06 -0.40 0.93 -1.07 0.00 0.00 179.97 180.65 1tmi h GLU 18 N 0.09 0.87 -0.44 0.04 5.08 -1.92 -2.49 114.58 115.80 1tmi h GLU 18 Ca 0.32 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1tmi h GLU 18 Cb 1.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1tmi h GLU 18 CO -0.03 1.10 -0.05 0.28 -1.00 0.00 0.00 179.01 179.31 1tmi h VAL 19 N 0.71 1.27 -0.02 3.13 2.07 -1.46 -2.61 116.25 119.34 1tmi h VAL 19 Ca 0.05 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1tmi h VAL 19 Cb 0.98 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1tmi h VAL 19 CO 0.09 0.39 0.03 -0.07 0.02 0.00 0.00 177.57 178.03 1tmi h LEU 20 N 0.65 0.00 -2.56 2.57 3.38 -1.10 -1.61 115.31 116.65 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 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1tmi h LEU 20 CO 0.03 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.89 1tmi n ASP 21 N -3.79 3.43 -4.32 -0.43 2.03 -0.95 -3.90 116.55 108.62 1tmi n ASP 21 Ca -0.02 -1.96 -0.46 0.00 0.52 0.00 0.00 54.79 52.86 1tmi n ASP 21 Cb 0.11 -0.32 -0.04 0.00 -0.72 0.00 0.00 41.12 40.16 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 -1.15 6.41 0.44 1.67 3.84 -0.61 -4.84 114.94 120.70 1tmi s ASN 22 Ca 0.37 -2.10 0.10 0.00 0.21 0.00 0.00 52.86 51.43 1tmi s ASN 22 Cb 0.20 -2.22 0.98 0.00 -0.55 0.00 0.00 41.25 39.66 1tmi s ASN 22 CO 0.27 -0.77 2.08 1.62 -2.79 0.00 0.00 177.10 177.52 1tmi h VAL 23 N 5.48 1.08 -0.10 -5.21 3.04 -1.87 -0.58 116.25 118.10 1tmi h VAL 23 Ca -0.14 -0.14 -0.11 0.00 -1.01 0.00 0.00 66.70 65.29 1tmi h VAL 23 Cb 1.08 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1tmi h VAL 23 CO 0.94 0.07 -0.38 1.56 -1.01 0.00 0.00 177.57 178.76 1tmi h GLN 24 N 0.39 0.42 -0.40 4.17 7.50 -1.96 -2.21 115.11 123.03 1tmi h GLN 24 Ca 0.11 -0.33 -0.05 0.00 0.50 0.00 0.00 58.65 58.88 1tmi h GLN 24 Cb -0.04 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.54 1tmi h GLN 24 CO -0.02 0.96 0.07 1.25 -1.50 0.00 0.00 178.83 179.59 1tmi h LEU 25 N -0.02 0.63 -0.56 1.46 5.85 -1.87 -1.81 115.31 118.98 1tmi h LEU 25 Ca -0.02 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.48 1tmi h LEU 25 Cb 1.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1tmi h LEU 25 CO 0.08 0.72 0.33 0.40 -0.34 0.00 0.00 178.44 179.63 1tmi h ILE 26 N 0.51 1.03 -0.70 4.05 1.08 -1.16 -0.26 117.51 122.05 1tmi h ILE 26 Ca 0.12 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1tmi h ILE 26 Cb 0.36 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 1tmi h ILE 26 CO 0.01 0.12 0.46 -0.08 -0.69 0.00 0.00 178.15 177.97 1tmi h GLU 27 N 0.64 0.91 -0.04 2.37 4.81 -1.19 -0.76 114.58 121.32 1tmi h GLU 27 Ca 0.24 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1tmi h GLU 27 Cb 0.07 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 1tmi h GLU 27 CO -0.12 0.60 0.02 1.96 -0.73 0.00 0.00 179.01 180.74 1tmi h GLN 28 N 0.94 0.05 -0.04 1.92 4.20 -0.60 -2.25 115.11 119.33 1tmi h GLN 28 Ca 0.26 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 1tmi h GLN 28 Cb -0.09 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1tmi h GLN 28 CO -0.06 0.18 -0.24 0.93 -0.67 0.00 0.00 178.83 178.97 1tmi h GLU 29 N -0.09 0.07 -0.15 1.46 4.39 -0.89 -1.07 114.58 118.30 1tmi h GLU 29 Ca 0.01 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1tmi h GLU 29 Cb 0.15 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1tmi h GLU 29 CO -0.00 0.31 -0.20 0.52 -1.16 0.00 0.00 179.01 178.48 1tmi h MET 30 N 0.06 0.40 -0.23 2.33 2.86 -1.01 -0.53 114.93 118.81 1tmi h MET 30 Ca 0.01 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 1tmi h MET 30 Cb 0.47 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1tmi h MET 30 CO 0.03 0.81 -0.34 0.87 1.06 0.00 0.00 176.91 179.35 1tmi h LYS 31 N 0.02 0.49 -0.13 1.72 1.57 -1.29 -1.72 116.57 117.24 1tmi h LYS 31 Ca 0.02 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 1tmi h LYS 31 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1tmi h LYS 31 CO 0.05 0.77 -0.41 0.37 -0.57 0.00 0.00 179.45 179.65 1tmi h GLN 32 N 0.42 0.29 -0.26 3.15 5.75 -1.16 -1.41 115.11 121.89 1tmi h GLN 32 Ca 0.05 -0.14 -0.14 0.00 -0.15 0.00 0.00 58.65 58.27 1tmi h GLN 32 Cb 0.79 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 1tmi h GLN 32 CO 0.06 0.66 -0.41 0.00 -2.65 0.00 0.00 178.83 176.49 1tmi h ALA 33 N 1.33 0.79 -0.36 3.38 0.00 -0.77 -1.36 119.26 122.27 1tmi h ALA 33 Ca 0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1tmi h ALA 33 Cb 0.83 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1tmi h ALA 33 CO 0.07 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.87 1tmi h ALA 34 N 1.03 1.16 0.37 0.00 0.00 -0.81 -2.36 119.26 118.66 1tmi h ALA 34 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1tmi h ALA 34 Cb 0.93 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1tmi h ALA 34 CO 0.08 0.53 -0.18 -0.92 0.00 0.00 0.00 179.25 178.77 1tmi h TYR 35 N 0.57 -0.46 0.00 0.00 5.03 -0.89 -2.44 116.97 118.77 1tmi h TYR 35 Ca 0.10 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1tmi h TYR 35 Cb 0.50 0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.94 1tmi h TYR 35 CO 0.02 -0.15 0.04 0.93 -1.32 0.00 0.00 178.16 177.69 1tmi h GLU 36 N -0.81 0.00 0.00 1.82 5.08 -1.17 -0.23 114.58 119.28 1tmi h GLU 36 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1tmi h GLU 36 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1tmi h GLU 36 CO 0.08 0.00 -0.47 -1.13 -1.00 0.00 0.00 179.01 176.49 1tmi n SER 37 N -2.93 0.52 0.00 1.42 3.41 -0.90 -4.74 113.62 110.40 1tmi n SER 37 Ca -0.03 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1tmi n SER 37 Cb 0.10 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1tmi n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tmi n GLY 38 N 1.44 0.78 3.88 5.00 0.00 -0.10 -1.38 105.19 114.80 1tmi n GLY 38 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.12 3.11 -0.29 4.61 0.00 -0.93 -4.70 121.76 121.44 1tmi s ALA 39 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1tmi s ALA 39 Cb 0.00 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.14 1tmi s ALA 39 CO 0.00 -0.74 0.10 0.99 0.00 0.00 0.00 175.76 176.11 1tmi s THR 40 N -3.15 4.21 -0.05 0.00 2.01 -1.26 -4.63 115.64 112.77 1tmi s THR 40 Ca 0.55 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1tmi s THR 40 Cb -0.11 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1tmi s THR 40 CO 0.52 0.14 1.12 -0.63 -0.69 0.00 0.00 174.62 175.08 1tmi s ILE 41 N 1.56 4.44 -0.22 1.82 1.01 -1.26 -2.26 121.20 126.28 1tmi s ILE 41 Ca 0.04 1.74 -0.20 0.00 0.00 0.00 0.00 60.65 62.24 1tmi s ILE 41 Cb -0.17 -4.12 -0.18 0.00 0.01 0.00 0.00 42.46 38.01 1tmi s ILE 41 CO 0.04 0.03 0.10 0.52 0.00 0.00 0.00 174.94 175.63 1tmi n VAL 42 N 4.42 1.54 -3.85 2.92 0.31 0.15 -4.97 118.33 118.86 1tmi n VAL 42 Ca 0.10 -0.11 -0.07 0.00 -0.01 0.00 0.00 64.34 64.24 1tmi n VAL 42 Cb 0.47 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.39 1tmi n VAL 42 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1tmi s THR 43 N -2.40 0.00 -0.03 2.52 -1.32 -1.11 -5.02 115.64 108.29 1tmi s THR 43 Ca -0.31 -1.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.88 1tmi s THR 43 Cb 0.08 -2.22 0.07 0.00 -1.51 0.00 0.00 72.50 68.91 1tmi s THR 43 CO 0.58 0.00 0.66 -0.94 -2.21 0.00 0.00 174.62 172.70 1tmi s SER 44 N -2.96 -0.63 -0.15 8.08 1.04 -1.26 -0.17 113.70 117.65 1tmi s SER 44 Ca 0.12 0.62 -0.06 0.00 0.48 0.00 0.00 55.95 57.10 1tmi s SER 44 Cb -0.06 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1tmi s SER 44 CO 0.08 -0.64 0.33 0.28 0.98 0.00 0.00 173.24 174.27 1tmi s THR 45 N -1.47 -0.33 0.07 2.02 -1.32 -0.38 -5.00 115.64 109.24 1tmi s THR 45 Ca -0.10 0.19 0.10 0.00 -1.21 0.00 0.00 61.69 60.67 1tmi s THR 45 Cb -0.00 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 1tmi s THR 45 CO 0.07 0.08 -0.26 -0.36 -2.21 0.00 0.00 174.62 171.94 1tmi s PHE 46 N 2.05 2.28 -0.05 9.09 0.08 -1.26 -1.77 117.98 128.40 1tmi s PHE 46 Ca -0.04 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.53 1tmi s PHE 46 Cb -0.11 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 1tmi s PHE 46 CO -0.11 0.19 0.20 -1.01 -0.10 0.00 0.00 175.22 174.40 1tmi s HIS 47 N -0.89 -0.15 -0.19 0.36 3.76 -0.02 -5.00 115.29 113.15 1tmi s HIS 47 Ca 0.12 0.34 -0.09 0.00 -0.15 0.00 0.00 55.06 55.29 1tmi s HIS 47 Cb -0.10 0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.59 1tmi s HIS 47 CO 0.03 -0.19 0.10 -0.98 -0.85 0.00 0.00 174.74 172.85 1tmi s ARG 48 N -0.46 4.09 0.21 1.40 1.70 -1.26 -0.41 118.95 124.23 1tmi s ARG 48 Ca -0.06 -0.27 -0.20 0.00 -0.47 0.00 0.00 55.73 54.73 1tmi s ARG 48 Cb -0.04 -3.33 -0.08 0.00 -0.57 0.00 0.00 34.95 30.93 1tmi s ARG 48 CO 0.01 0.29 0.73 0.12 -1.08 0.00 0.00 175.30 175.37 1tmi s PHE 49 N 0.35 3.68 0.05 5.89 2.19 0.42 -4.96 117.98 125.60 1tmi s PHE 49 Ca 0.06 1.41 0.05 0.00 0.33 0.00 0.00 56.93 58.78 1tmi s PHE 49 Cb -0.12 -2.63 -0.04 0.00 -1.31 0.00 0.00 43.02 38.93 1tmi s PHE 49 CO -0.01 0.36 -0.09 -0.48 1.83 0.00 0.00 175.22 176.83 1tmi s LEU 50 N -1.86 3.04 0.45 6.12 0.05 -1.26 -2.92 118.68 122.31 1tmi s LEU 50 Ca 0.42 -0.28 0.24 0.00 0.05 0.00 0.00 54.13 54.56 1tmi s LEU 50 Cb -0.17 -1.79 1.03 0.00 -2.05 0.00 0.00 46.19 43.20 1tmi s LEU 50 CO 0.21 0.24 1.88 1.55 -0.55 0.00 0.00 176.35 179.68 1tmi h PRO 51 N 4.16 0.00 -4.01 1.48 0.13 -2.05 -3.48 132.00 128.23 1tmi h PRO 51 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1tmi h PRO 51 Cb 1.16 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 1tmi h PRO 51 CO 0.52 0.22 -0.66 0.71 -0.23 0.00 0.00 178.00 178.56 1tmi s TYR 52 N -3.78 0.32 0.00 1.56 2.02 -1.15 -5.14 117.35 111.18 1tmi s TYR 52 Ca -0.00 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.03 1tmi s TYR 52 Cb 0.11 -0.23 0.00 0.00 -0.40 0.00 0.00 41.96 41.44 1tmi s TYR 52 CO 0.63 -0.28 0.00 0.41 -1.57 0.00 0.00 175.55 174.74 1tmi n GLY 53 N 1.03 3.59 3.11 0.71 0.00 -1.16 -4.57 105.19 107.90 1tmi n GLY 53 Ca -0.20 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.37 1.17 0.02 1.61 1.01 -1.25 0.16 120.40 121.75 1tmi s VAL 54 Ca 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1tmi s VAL 54 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1tmi s VAL 54 CO 0.00 0.33 -0.20 -0.55 0.00 0.00 0.00 175.10 174.69 1tmi s SER 55 N -0.23 2.36 -0.18 3.32 0.15 0.45 -0.95 113.70 118.63 1tmi s SER 55 Ca 0.03 -0.46 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 1tmi s SER 55 Cb -0.07 -0.22 0.11 0.00 -1.71 0.00 0.00 66.02 64.14 1tmi s SER 55 CO -0.00 0.18 0.93 -0.83 1.20 0.00 0.00 173.24 174.72 1tmi s GLY 56 N -0.93 -0.31 -0.03 9.45 0.00 -0.49 -0.84 107.32 114.16 1tmi s GLY 56 Ca 0.07 2.06 0.00 0.00 0.00 0.00 0.00 44.72 46.86 1tmi s GLY 56 CO 0.01 1.26 0.00 0.54 0.00 0.00 0.00 173.10 174.92 1tmi s VAL 57 N -0.70 0.13 -0.29 1.40 0.11 -0.73 -1.05 120.40 119.28 1tmi s VAL 57 Ca -0.02 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1tmi s VAL 57 Cb -0.02 -0.22 0.03 0.00 -1.53 0.00 0.00 36.38 34.64 1tmi s VAL 57 CO 0.01 0.13 0.01 -0.69 -3.33 0.00 0.00 175.10 171.23 1tmi s VAL 58 N 0.94 3.24 -0.11 2.04 1.01 0.14 -1.24 120.40 126.42 1tmi s VAL 58 Ca -0.09 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 1tmi s VAL 58 Cb -0.13 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1tmi s VAL 58 CO -0.02 0.01 0.83 -0.69 0.00 0.00 0.00 175.10 175.24 1tmi s VAL 59 N 1.34 4.92 0.49 2.92 1.01 0.76 -0.80 120.40 131.04 1tmi s VAL 59 Ca -0.02 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1tmi s VAL 59 Cb -0.18 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 1tmi s VAL 59 CO -0.01 0.11 0.00 2.30 0.00 0.00 0.00 175.10 177.51 1tmi n ILE 60 N 4.30 0.00 -1.51 2.22 -5.35 -0.53 0.33 119.36 118.81 1tmi n ILE 60 Ca 0.03 -2.29 -0.48 0.00 -0.27 0.00 0.00 62.75 59.74 1tmi n ILE 60 Cb 0.50 0.46 -0.05 0.00 -1.74 0.00 0.00 39.64 38.81 1tmi n ILE 60 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1tmi n SER 61 N -1.30 2.63 -1.47 7.28 2.88 -0.96 -1.82 113.62 120.86 1tmi n SER 61 Ca -0.20 0.35 -0.17 0.00 -1.33 0.00 0.00 58.87 57.52 1tmi n SER 61 Cb 0.61 -1.38 -0.07 0.00 -0.75 0.00 0.00 64.21 62.62 1tmi n SER 61 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tmi n GLU 62 N 8.36 -1.38 -0.75 -1.46 1.02 -1.26 -4.42 120.64 120.76 1tmi n GLU 62 Ca 0.36 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.49 1tmi n GLU 62 Cb 0.32 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 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 0.92 0.00 -3.46 0.62 0.00 -0.76 -4.76 120.51 113.07 1tmi n ALA 63 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1tmi n ALA 63 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 -5.62 -0.51 -0.08 0.00 -3.43 -0.91 -1.46 115.29 103.28 1tmi s HIS 64 Ca 0.00 0.44 0.02 0.00 -0.80 0.00 0.00 55.06 54.72 1tmi s HIS 64 Cb 0.00 0.53 0.01 0.00 -1.43 0.00 0.00 32.58 31.69 1tmi s HIS 64 CO 0.00 -0.73 -0.15 -0.51 -2.00 0.00 0.00 174.74 171.35 1tmi s LEU 65 N -2.39 1.72 0.08 5.38 1.43 0.02 -1.47 118.68 123.46 1tmi s LEU 65 Ca -0.00 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1tmi s LEU 65 Cb -0.01 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1tmi s LEU 65 CO -0.08 0.05 -0.08 0.42 0.23 0.00 0.00 176.35 176.88 1tmi s THR 66 N 0.70 0.76 -0.08 5.49 -4.23 -0.24 0.24 115.64 118.28 1tmi s THR 66 Ca -0.13 -1.61 -0.10 0.00 -1.18 0.00 0.00 61.69 58.66 1tmi s THR 66 Cb -0.16 -1.30 0.02 0.00 1.34 0.00 0.00 72.50 72.41 1tmi s THR 66 CO 0.03 -0.63 0.27 -0.51 -0.54 0.00 0.00 174.62 173.25 1tmi s ILE 67 N -2.61 0.02 -0.11 2.99 2.07 -0.21 -1.35 121.20 121.99 1tmi s ILE 67 Ca 0.04 -0.12 -0.04 0.00 -1.41 0.00 0.00 60.65 59.12 1tmi s ILE 67 Cb -0.02 -0.43 0.05 0.00 0.13 0.00 0.00 42.46 42.19 1tmi s ILE 67 CO -0.02 -0.07 0.10 -1.00 -1.91 0.00 0.00 174.94 172.04 1tmi s HIS 68 N -0.19 0.05 0.14 3.50 3.76 -0.72 -1.40 115.29 120.44 1tmi s HIS 68 Ca -0.03 0.08 0.05 0.00 -0.15 0.00 0.00 55.06 55.00 1tmi s HIS 68 Cb -0.03 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 1tmi s HIS 68 CO 0.01 -0.36 0.10 0.95 -0.85 0.00 0.00 174.74 174.60 1tmi s THR 69 N 2.19 4.40 -0.53 1.30 -4.23 -0.12 -0.62 115.64 118.03 1tmi s THR 69 Ca 0.04 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 1tmi s THR 69 Cb -0.14 -3.21 0.17 0.00 1.34 0.00 0.00 72.50 70.66 1tmi s THR 69 CO -0.06 -0.05 0.39 0.26 -0.54 0.00 0.00 174.62 174.62 1tmi s TRP 70 N -1.65 2.12 0.39 3.99 0.51 0.53 -3.79 118.94 121.04 1tmi s TRP 70 Ca 0.30 -2.71 0.16 0.00 -2.12 0.00 0.00 56.10 51.73 1tmi s TRP 70 Cb -0.11 -1.69 1.05 0.00 -0.81 0.00 0.00 33.47 31.91 1tmi s TRP 70 CO 0.22 -0.71 1.80 -1.35 -0.51 0.00 0.00 176.95 176.40 1tmi h PRO 71 N 5.67 0.44 0.00 4.98 0.11 -1.84 0.22 132.00 141.58 1tmi h PRO 71 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1tmi h PRO 71 Cb 0.85 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1tmi h PRO 71 CO 0.51 0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1tmi n GLU 72 N -4.60 0.13 0.00 1.05 0.00 -1.26 -2.44 120.64 113.52 1tmi n GLU 72 Ca 0.23 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.59 1tmi n GLU 72 Cb 0.78 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.72 1tmi n GLU 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1tmi n TYR 73 N -1.29 0.00 -1.40 -1.84 4.01 0.69 -4.99 117.16 112.33 1tmi n TYR 73 Ca 0.04 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1tmi n TYR 73 Cb 0.07 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.18 1.43 3.68 2.72 0.00 -0.59 -4.48 105.19 108.13 1tmi n GLY 74 Ca 0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.45 3.06 -0.03 1.61 5.04 -1.13 -0.19 117.35 123.26 1tmi s TYR 75 Ca 0.00 0.06 -0.02 0.00 -2.44 0.00 0.00 57.07 54.68 1tmi s TYR 75 Cb 0.00 -1.65 0.02 0.00 0.35 0.00 0.00 41.96 40.68 1tmi s TYR 75 CO 0.00 0.46 0.07 0.00 -1.34 0.00 0.00 175.55 174.74 1tmi s ALA 76 N -1.13 -0.11 -0.37 3.97 0.00 -0.36 -0.35 121.76 123.42 1tmi s ALA 76 Ca 0.21 0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 1tmi s ALA 76 Cb -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1tmi s ALA 76 CO 0.12 -0.08 0.25 0.00 0.00 0.00 0.00 175.76 176.05 1tmi s ALA 77 N 0.57 3.43 0.01 0.00 0.00 0.21 -1.17 121.76 124.81 1tmi s ALA 77 Ca -0.04 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.40 1tmi s ALA 77 Cb -0.06 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 1tmi s ALA 77 CO -0.02 -1.23 -0.17 0.42 0.00 0.00 0.00 175.76 174.76 1tmi s ILE 78 N 1.66 2.86 -0.07 0.00 1.01 -0.52 -1.75 121.20 124.38 1tmi s ILE 78 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1tmi s ILE 78 Cb -0.18 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1tmi s ILE 78 CO 0.09 0.41 -0.07 -1.81 0.00 0.00 0.00 174.94 173.57 1tmi s ASP 79 N -1.22 1.59 -0.44 3.58 1.01 -0.45 -0.51 116.67 120.22 1tmi s ASP 79 Ca 0.14 -0.21 0.03 0.00 0.71 0.00 0.00 52.55 53.21 1tmi s ASP 79 Cb -0.11 -0.65 0.13 0.00 1.01 0.00 0.00 42.92 43.30 1tmi s ASP 79 CO 0.04 -0.07 0.21 -0.76 0.21 0.00 0.00 175.17 174.80 1tmi s LEU 80 N 1.21 3.51 -0.27 1.23 1.43 0.37 -1.07 118.68 125.10 1tmi s LEU 80 Ca -0.05 -2.62 -0.08 0.00 -1.03 0.00 0.00 54.13 50.34 1tmi s LEU 80 Cb -0.14 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1tmi s LEU 80 CO -0.02 -0.28 0.10 0.12 0.23 0.00 0.00 176.35 176.50 1tmi s PHE 81 N 0.30 3.12 0.06 0.29 2.19 -0.54 -0.57 117.98 122.82 1tmi s PHE 81 Ca 0.16 -0.43 0.04 0.00 0.33 0.00 0.00 56.93 57.02 1tmi s PHE 81 Cb -0.24 -2.27 -0.03 0.00 -1.31 0.00 0.00 43.02 39.17 1tmi s PHE 81 CO -0.03 -0.37 -0.11 0.95 1.83 0.00 0.00 175.22 177.49 1tmi s THR 82 N 1.62 0.83 -0.07 0.12 -4.23 -0.10 -2.15 115.64 111.66 1tmi s THR 82 Ca 0.06 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 1tmi s THR 82 Cb -0.16 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 1tmi s THR 82 CO 0.05 -0.30 -0.24 0.00 -0.54 0.00 0.00 174.62 173.59 1tmi n GLY 84 N 3.18 2.90 0.11 0.00 0.00 -1.24 -4.60 105.19 105.54 1tmi n GLY 84 Ca -0.18 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 44.41 1tmi n GLY 84 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tmi n GLU 85 N 0.96 0.14 0.09 1.61 0.28 -1.26 -1.82 120.64 120.63 1tmi n GLU 85 Ca 0.00 0.45 0.13 0.00 -0.16 0.00 0.00 57.16 57.57 1tmi n GLU 85 Cb 0.00 -1.80 0.30 0.00 1.43 0.00 0.00 31.44 31.37 1tmi n GLU 85 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1tmi h ASP 86 N 0.00 0.00 -3.32 -1.84 3.32 -1.96 -3.44 116.42 109.18 1tmi h ASP 86 Ca 0.00 -0.09 -0.66 0.00 0.02 0.00 0.00 57.03 56.30 1tmi h ASP 86 Cb 0.24 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.50 1tmi h ASP 86 CO 0.00 0.04 -0.76 -0.69 -1.72 0.00 0.00 179.24 176.12 1tmi s VAL 87 N -3.14 3.07 -0.35 -1.35 1.01 -0.76 -4.68 120.40 114.20 1tmi s VAL 87 Ca 0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1tmi s VAL 87 Cb 0.12 -2.36 0.06 0.00 0.00 0.00 0.00 36.38 34.21 1tmi s VAL 87 CO 0.65 0.47 0.11 -0.62 0.00 0.00 0.00 175.10 175.71 1tmi s ASP 88 N 1.20 5.20 0.63 3.32 2.15 -0.48 -4.74 116.67 123.96 1tmi s ASP 88 Ca 0.02 -1.41 0.36 0.00 0.43 0.00 0.00 52.55 51.95 1tmi s ASP 88 Cb -0.14 -1.82 2.03 0.00 -0.30 0.00 0.00 42.92 42.68 1tmi s ASP 88 CO -0.03 -0.37 2.24 1.55 -0.17 0.00 0.00 175.17 178.39 1tmi h PRO 89 N 8.13 0.00 0.00 4.34 0.13 -1.90 -2.04 132.00 140.66 1tmi h PRO 89 Ca -0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 1tmi h PRO 89 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1tmi h PRO 89 CO 0.62 0.00 -0.03 -1.49 -0.23 0.00 0.00 178.00 176.87 1tmi h TRP 90 N 0.00 0.00 -0.11 1.56 4.06 -1.94 -2.21 115.95 117.31 1tmi h TRP 90 Ca 0.02 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.74 1tmi h TRP 90 Cb 0.16 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1tmi h TRP 90 CO 0.00 0.03 -0.84 0.87 -3.56 0.00 0.00 178.44 174.94 1tmi h LYS 91 N 0.00 0.72 -0.65 0.49 1.79 -1.69 -1.76 116.57 115.48 1tmi h LYS 91 Ca -0.00 -0.63 -0.07 0.00 -2.18 0.00 0.00 60.65 57.77 1tmi h LYS 91 Cb 0.56 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.33 1tmi h LYS 91 CO 0.00 1.23 0.13 0.00 -1.08 0.00 0.00 179.45 179.74 1tmi h ALA 92 N 0.58 0.86 -0.09 3.86 0.00 -1.61 -2.05 119.26 120.80 1tmi h ALA 92 Ca -0.07 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1tmi h ALA 92 Cb 1.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1tmi h ALA 92 CO 0.17 0.60 -0.03 0.35 0.00 0.00 0.00 179.25 180.33 1tmi h PHE 93 N 0.98 -0.07 -0.28 0.00 3.57 -1.32 -0.81 116.94 119.00 1tmi h PHE 93 Ca 0.20 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1tmi h PHE 93 Cb 0.40 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1tmi h PHE 93 CO 0.03 -0.06 -0.07 0.93 -2.23 0.00 0.00 178.31 176.92 1tmi h GLU 94 N -0.02 0.00 -0.88 1.11 4.39 -1.03 0.25 114.58 118.40 1tmi h GLU 94 Ca 0.05 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1tmi h GLU 94 Cb 0.09 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1tmi h GLU 94 CO -0.11 0.00 0.49 1.25 -1.16 0.00 0.00 179.01 179.48 1tmi h HIS 95 N 0.00 1.21 -0.20 4.33 2.76 -1.13 -2.12 115.15 120.00 1tmi h HIS 95 Ca 0.13 -0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.10 1tmi h HIS 95 Cb 0.20 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1tmi h HIS 95 CO -0.27 0.84 -0.56 -0.07 -1.30 0.00 0.00 177.93 176.57 1tmi h LEU 96 N 1.23 0.84 -0.90 0.26 3.38 -0.65 -0.23 115.31 119.25 1tmi h LEU 96 Ca 0.31 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1tmi h LEU 96 Cb 0.02 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1tmi h LEU 96 CO -0.05 1.27 0.58 0.50 0.09 0.00 0.00 178.44 180.83 1tmi h LYS 97 N 0.46 1.05 -0.16 1.13 3.11 -0.36 0.77 116.57 122.58 1tmi h LYS 97 Ca -0.01 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 57.72 1tmi h LYS 97 Cb 1.18 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1tmi h LYS 97 CO 0.12 0.70 -0.09 0.87 -2.81 0.00 0.00 179.45 178.24 1tmi h LYS 98 N 1.09 0.35 -0.79 1.90 1.79 -1.29 -1.42 116.57 118.19 1tmi h LYS 98 Ca 0.38 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1tmi h LYS 98 Cb 0.09 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.69 1tmi h LYS 98 CO -0.15 0.67 0.38 0.00 -1.08 0.00 0.00 179.45 179.28 1tmi h ALA 99 N 0.66 1.02 0.00 3.86 0.00 -0.52 -2.97 119.26 121.31 1tmi h ALA 99 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1tmi h ALA 99 Cb 0.58 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1tmi h ALA 99 CO 0.03 0.58 -0.49 1.28 0.00 0.00 0.00 179.25 180.64 1tmi n LEU 100 N -4.36 0.55 -3.60 0.00 4.32 0.22 -4.94 117.00 109.19 1tmi n LEU 100 Ca 0.07 0.18 -0.22 0.00 -0.02 0.00 0.00 56.01 56.02 1tmi n LEU 100 Cb 0.14 -0.25 0.07 0.00 -1.62 0.00 0.00 43.42 41.76 1tmi n LEU 100 CO 0.39 0.02 0.13 0.29 -1.22 0.00 0.00 177.39 177.00 1tmi n LYS 101 N -1.81 -6.71 -2.18 3.23 5.02 -0.55 -0.33 118.16 114.84 1tmi n LYS 101 Ca 0.05 0.77 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 1tmi n LYS 101 Cb 0.39 -5.72 -0.02 0.00 -0.02 0.00 0.00 35.03 29.65 1tmi n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tmi s ALA 102 N -3.39 3.48 -0.87 7.82 0.00 -1.13 -4.15 121.76 123.52 1tmi s ALA 102 Ca 0.30 1.20 0.19 0.00 0.00 0.00 0.00 51.96 53.65 1tmi s ALA 102 Cb -0.14 -3.45 -0.21 0.00 0.00 0.00 0.00 23.12 19.32 1tmi s ALA 102 CO 0.76 -0.56 0.80 1.63 0.00 0.00 0.00 175.76 178.38 1tmi n LYS 103 N 0.85 0.72 -3.68 0.00 5.02 -0.83 -4.91 118.16 115.32 1tmi n LYS 103 Ca -0.00 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1tmi n LYS 103 Cb 0.42 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 1tmi n LYS 103 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1tmi s ARG 104 N -2.81 0.44 0.05 1.97 3.52 -1.18 -5.04 118.95 115.90 1tmi s ARG 104 Ca 0.07 0.91 0.03 0.00 -0.13 0.00 0.00 55.73 56.62 1tmi s ARG 104 Cb 0.14 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 1tmi s ARG 104 CO 0.78 -0.17 -0.11 0.14 -0.81 0.00 0.00 175.30 175.13 1tmi s VAL 105 N 1.66 0.80 -0.07 7.11 -7.23 -1.26 -0.62 120.40 120.78 1tmi s VAL 105 Ca -0.08 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1tmi s VAL 105 Cb -0.08 -0.79 0.02 0.00 0.56 0.00 0.00 36.38 36.08 1tmi s VAL 105 CO -0.14 -0.23 -0.10 -2.28 -0.31 0.00 0.00 175.10 172.04 1tmi s HIS 106 N -1.15 1.35 -0.03 2.82 2.46 -0.57 -4.97 115.29 115.19 1tmi s HIS 106 Ca -0.05 -0.53 0.02 0.00 0.47 0.00 0.00 55.06 54.98 1tmi s HIS 106 Cb -0.09 -1.04 0.01 0.00 -0.13 0.00 0.00 32.58 31.32 1tmi s HIS 106 CO 0.01 -0.32 -0.09 0.08 -2.47 0.00 0.00 174.74 171.95 1tmi s VAL 107 N 0.96 0.77 -0.12 0.89 1.01 -1.26 0.10 120.40 122.75 1tmi s VAL 107 Ca -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1tmi s VAL 107 Cb -0.15 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1tmi s VAL 107 CO 0.00 0.24 -0.20 -0.69 0.00 0.00 0.00 175.10 174.46 1tmi s VAL 108 N 0.27 2.41 -0.24 2.92 1.01 -0.47 -4.97 120.40 121.33 1tmi s VAL 108 Ca -0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1tmi s VAL 108 Cb -0.09 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1tmi s VAL 108 CO 0.01 0.54 0.09 -0.70 0.00 0.00 0.00 175.10 175.03 1tmi s GLU 109 N 0.47 3.78 0.01 2.72 2.12 -1.26 -1.04 118.70 125.49 1tmi s GLU 109 Ca -0.13 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 54.79 1tmi s GLU 109 Cb -0.17 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1tmi s GLU 109 CO 0.06 -0.08 0.02 -1.01 -0.54 0.00 0.00 175.26 173.71 1tmi s HIS 110 N 1.34 3.13 -0.26 5.30 3.76 0.17 -4.94 115.29 123.79 1tmi s HIS 110 Ca 0.05 0.10 -0.14 0.00 -0.15 0.00 0.00 55.06 54.93 1tmi s HIS 110 Cb -0.15 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 1tmi s HIS 110 CO 0.04 0.49 0.33 -1.21 -0.85 0.00 0.00 174.74 173.54 1tmi s GLU 111 N -1.69 4.03 -0.22 1.40 2.02 -1.26 -0.07 118.70 122.91 1tmi s GLU 111 Ca 0.21 -0.01 -0.09 0.00 0.02 0.00 0.00 54.97 55.10 1tmi s GLU 111 Cb -0.12 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 1tmi s GLU 111 CO 0.12 -0.20 0.11 1.03 0.02 0.00 0.00 175.26 176.33 1tmi s ARG 112 N 1.85 3.93 -0.53 1.61 1.81 -0.07 -4.57 118.95 122.97 1tmi s ARG 112 Ca 0.14 -0.35 -0.03 0.00 -1.72 0.00 0.00 55.73 53.77 1tmi s ARG 112 Cb -0.15 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 30.92 1tmi s ARG 112 CO 0.09 0.06 0.47 0.41 -0.68 0.00 0.00 175.30 175.65 1tmi n GLY 113 N 4.22 -0.16 3.75 -3.53 0.00 -1.26 -1.07 105.19 107.15 1tmi n GLY 113 Ca -0.16 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.70 4.12 0.31 1.61 0.52 -1.26 -0.77 118.95 119.77 1tmi s ARG 114 Ca 0.23 2.58 0.01 0.00 -0.52 0.00 0.00 55.73 58.04 1tmi s ARG 114 Cb -0.03 -3.02 0.56 0.00 0.52 0.00 0.00 34.95 32.99 1tmi s ARG 114 CO 0.38 -0.63 1.92 1.88 0.02 0.00 0.00 175.30 178.87 1tmi h TYR 115 N 4.64 1.00 0.00 -0.53 0.05 -1.35 -0.79 116.97 119.99 1tmi h TYR 115 Ca -0.47 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1tmi h TYR 115 Cb 1.22 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.63 1tmi h TYR 115 CO 0.58 0.53 0.00 -0.40 -1.05 0.00 0.00 178.16 177.82 1tmi n ASP 116 N -4.48 0.01 -0.09 3.88 3.85 -1.26 -2.66 116.55 115.80 1tmi n ASP 116 Ca 0.13 0.50 -0.10 0.00 -0.71 0.00 0.00 54.79 54.61 1tmi n ASP 116 Cb 0.20 -0.50 -0.12 0.00 -1.35 0.00 0.00 41.12 39.35 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 -1.51 1.13 0.00 0.11 -0.58 -0.43 -5.27 120.64 114.08 1tmi n GLU 117 Ca 0.03 0.03 0.09 0.00 -0.42 0.00 0.00 57.16 56.90 1tmi n GLU 117 Cb 0.17 -1.41 0.54 0.00 -0.57 0.00 0.00 31.44 30.17 1tmi n GLU 117 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76