#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie5 n MET 1 N 0.00 3.15 -2.81 1.09 0.00 -1.26 -4.31 117.12 112.97 3ie5 n MET 1 Ca 0.00 -3.01 -0.23 0.00 0.00 0.00 0.00 57.70 54.45 3ie5 n MET 1 Cb 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 33.22 31.24 3ie5 n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ie5 s ALA 2 N -2.95 3.68 0.84 3.04 0.00 -1.26 -4.86 121.76 120.24 3ie5 s ALA 2 Ca 0.48 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 3ie5 s ALA 2 Cb 0.39 -2.23 0.10 0.00 0.00 0.00 0.00 23.12 21.38 3ie5 s ALA 2 CO 0.09 -0.52 1.15 0.00 0.00 0.00 0.00 175.76 176.48 3ie5 s ALA 3 N -2.68 1.80 -0.11 0.00 0.00 -1.26 -4.67 121.76 114.84 3ie5 s ALA 3 Ca 0.51 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 3ie5 s ALA 3 Cb -0.10 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.64 3ie5 s ALA 3 CO 0.39 -2.33 -0.02 -0.47 0.00 0.00 0.00 175.76 173.34 3ie5 s TYR 4 N -2.57 1.06 -0.03 0.00 6.14 -0.47 -4.97 117.35 116.52 3ie5 s TYR 4 Ca 0.67 -0.54 0.08 0.00 0.64 0.00 0.00 57.07 57.91 3ie5 s TYR 4 Cb -0.23 -1.01 -0.02 0.00 0.42 0.00 0.00 41.96 41.12 3ie5 s TYR 4 CO 0.55 -0.46 -0.25 0.99 0.64 0.00 0.00 175.55 177.01 3ie5 s THR 5 N 1.85 2.11 0.07 4.34 2.01 -1.26 -0.52 115.64 124.23 3ie5 s THR 5 Ca 0.03 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 61.02 3ie5 s THR 5 Cb -0.14 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 3ie5 s THR 5 CO -0.07 0.58 -0.19 0.27 -0.69 0.00 0.00 174.62 174.52 3ie5 s ILE 6 N -0.56 1.57 -0.01 1.82 -4.36 -0.13 -4.97 121.20 114.56 3ie5 s ILE 6 Ca 0.08 -1.34 0.06 0.00 -0.26 0.00 0.00 60.65 59.19 3ie5 s ILE 6 Cb -0.10 -1.41 -0.02 0.00 1.25 0.00 0.00 42.46 42.18 3ie5 s ILE 6 CO -0.00 0.02 -0.19 -0.69 0.24 0.00 0.00 174.94 174.32 3ie5 s VAL 7 N -1.02 1.49 -0.00 8.37 1.01 -1.26 -0.73 120.40 128.26 3ie5 s VAL 7 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3ie5 s VAL 7 Cb -0.09 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3ie5 s VAL 7 CO 0.03 0.40 -0.00 -0.54 0.00 0.00 0.00 175.10 174.99 3ie5 s LYS 8 N -0.49 0.01 -0.01 2.72 -0.14 -0.02 -4.99 119.74 116.82 3ie5 s LYS 8 Ca 0.07 0.00 0.05 0.00 -1.36 0.00 0.00 55.97 54.74 3ie5 s LYS 8 Cb -0.07 -0.02 -0.01 0.00 -1.68 0.00 0.00 37.83 36.04 3ie5 s LYS 8 CO -0.01 -0.00 -0.17 -1.21 -0.76 0.00 0.00 175.35 173.20 3ie5 s GLU 9 N 0.03 1.36 -0.12 1.68 2.02 -1.26 -0.74 118.70 121.67 3ie5 s GLU 9 Ca -0.00 -0.63 -0.24 0.00 0.02 0.00 0.00 54.97 54.12 3ie5 s GLU 9 Cb -0.01 -1.32 0.06 0.00 0.10 0.00 0.00 34.13 32.96 3ie5 s GLU 9 CO -0.00 0.36 0.59 -2.00 0.02 0.00 0.00 175.26 174.23 3ie5 s GLU 10 N -0.47 0.86 0.31 1.61 2.12 -0.78 -5.01 118.70 117.33 3ie5 s GLU 10 Ca 0.06 0.42 -0.09 0.00 0.36 0.00 0.00 54.97 55.72 3ie5 s GLU 10 Cb -0.07 0.41 -0.07 0.00 0.26 0.00 0.00 34.13 34.66 3ie5 s GLU 10 CO -0.00 -0.21 0.64 -1.21 -0.54 0.00 0.00 175.26 173.94 3ie5 s GLU 11 N -0.61 3.78 0.03 4.30 2.02 -1.26 -0.92 118.70 126.05 3ie5 s GLU 11 Ca -0.07 0.32 0.03 0.00 0.02 0.00 0.00 54.97 55.27 3ie5 s GLU 11 Cb -0.03 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 3ie5 s GLU 11 CO 0.05 0.17 -0.10 0.45 0.02 0.00 0.00 175.26 175.85 3ie5 s SER 12 N -2.78 1.20 0.00 -0.19 0.15 -0.20 -4.96 113.70 106.93 3ie5 s SER 12 Ca 0.49 -0.43 0.23 0.00 0.70 0.00 0.00 55.95 56.94 3ie5 s SER 12 Cb -0.11 -0.05 1.07 0.00 -1.71 0.00 0.00 66.02 65.22 3ie5 s SER 12 CO 0.26 -0.04 1.76 -0.81 1.20 0.00 0.00 173.24 175.60 3ie5 n PRO 13 N 1.93 0.13 -2.90 5.44 -0.04 -1.26 -0.75 135.00 137.55 3ie5 n PRO 13 Ca -0.19 0.09 -0.40 0.00 -0.04 0.00 0.00 63.50 62.96 3ie5 n PRO 13 Cb 0.55 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 3ie5 n PRO 13 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ie5 s ILE 14 N -2.84 4.42 0.55 0.52 -1.09 -1.26 -3.96 121.20 117.52 3ie5 s ILE 14 Ca 0.15 1.82 -0.21 0.00 -2.23 0.00 0.00 60.65 60.18 3ie5 s ILE 14 Cb 0.15 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 3ie5 s ILE 14 CO 0.40 0.45 1.27 0.00 -1.23 0.00 0.00 174.94 175.83 3ie5 s ALA 15 N -0.72 2.75 0.23 9.38 0.00 -1.23 -2.81 121.76 129.36 3ie5 s ALA 15 Ca 0.39 1.16 0.18 0.00 0.00 0.00 0.00 51.96 53.70 3ie5 s ALA 15 Cb -0.23 -3.50 0.75 0.00 0.00 0.00 0.00 23.12 20.14 3ie5 s ALA 15 CO 0.27 -1.18 1.78 -1.00 0.00 0.00 0.00 175.76 175.63 3ie5 h PRO 16 N 1.39 0.00 -0.12 0.00 0.13 -1.88 -1.97 132.00 129.54 3ie5 h PRO 16 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 3ie5 h PRO 16 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3ie5 h PRO 16 CO 0.57 0.36 -0.19 1.12 -0.23 0.00 0.00 178.00 179.63 3ie5 h HIS 17 N 0.00 0.22 0.01 1.56 2.07 -1.95 0.12 115.15 117.18 3ie5 h HIS 17 Ca -0.00 -0.03 -0.13 0.00 -2.85 0.00 0.00 60.37 57.35 3ie5 h HIS 17 Cb 0.82 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 30.75 3ie5 h HIS 17 CO 0.00 0.39 -0.52 0.00 -3.07 0.00 0.00 177.93 174.73 3ie5 h ARG 18 N 0.19 0.34 -0.73 5.12 3.08 -1.62 -2.81 114.38 117.95 3ie5 h ARG 18 Ca 0.04 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 3ie5 h ARG 18 Cb 0.45 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3ie5 h ARG 18 CO 0.03 1.07 0.36 1.25 -1.07 0.00 0.00 179.97 181.61 3ie5 h LEU 19 N -0.23 0.95 -0.82 3.04 5.85 -1.19 -0.94 115.31 121.97 3ie5 h LEU 19 Ca -0.07 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 3ie5 h LEU 19 Cb 1.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3ie5 h LEU 19 CO 0.10 0.81 0.28 0.15 -0.34 0.00 0.00 178.44 179.44 3ie5 h PHE 20 N 1.02 1.18 -0.38 1.25 3.57 -0.82 0.91 116.94 123.67 3ie5 h PHE 20 Ca 0.25 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3ie5 h PHE 20 Cb 0.11 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 3ie5 h PHE 20 CO 0.01 0.90 0.08 0.87 -2.23 0.00 0.00 178.31 177.94 3ie5 h LYS 21 N 1.11 0.62 -0.34 1.11 1.57 -1.27 -1.05 116.57 118.33 3ie5 h LYS 21 Ca 0.25 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 3ie5 h LYS 21 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ie5 h LYS 21 CO -0.02 0.66 -0.41 0.00 -0.57 0.00 0.00 179.45 179.12 3ie5 h ALA 22 N 0.93 0.63 0.00 3.86 0.00 -0.84 0.24 119.26 124.08 3ie5 h ALA 22 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ie5 h ALA 22 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ie5 h ALA 22 CO 0.00 0.67 -0.87 -0.07 0.00 0.00 0.00 179.25 178.99 3ie5 h LEU 23 N 0.69 0.00 0.00 0.00 3.38 -0.87 -3.24 115.31 115.27 3ie5 h LEU 23 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ie5 h LEU 23 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ie5 h LEU 23 CO 0.09 0.06 0.00 0.52 0.09 0.00 0.00 178.44 179.20 3ie5 n VAL 24 N -2.41 0.00 -0.21 1.22 0.31 -0.43 -4.75 118.33 112.06 3ie5 n VAL 24 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.25 3ie5 n VAL 24 Cb 0.50 -0.43 0.02 0.00 -0.91 0.00 0.00 33.84 33.02 3ie5 n VAL 24 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ie5 h LEU 25 N 0.00 1.03 -2.95 7.52 3.38 -1.40 -3.05 115.31 119.84 3ie5 h LEU 25 Ca 0.00 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3ie5 h LEU 25 Cb 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3ie5 h LEU 25 CO 0.00 1.08 -0.33 -0.62 0.09 0.00 0.00 178.44 178.65 3ie5 n GLU 26 N -4.21 1.29 -0.24 1.13 -0.58 0.82 -4.69 120.64 114.15 3ie5 n GLU 26 Ca 0.03 -2.82 0.07 0.00 -0.42 0.00 0.00 57.16 54.02 3ie5 n GLU 26 Cb 0.34 -1.42 0.33 0.00 -0.57 0.00 0.00 31.44 30.12 3ie5 n GLU 26 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3ie5 h ARG 27 N 0.55 0.79 0.00 3.49 2.43 -1.44 0.44 114.38 120.64 3ie5 h ARG 27 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3ie5 h ARG 27 Cb 1.08 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3ie5 h ARG 27 CO 0.01 0.53 -0.03 1.12 -1.51 0.00 0.00 179.97 180.08 3ie5 h HIS 28 N 0.82 0.00 0.00 2.20 2.07 -1.83 -1.74 115.15 116.66 3ie5 h HIS 28 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 3ie5 h HIS 28 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 3ie5 h HIS 28 CO -0.00 0.03 -1.10 1.04 -3.07 0.00 0.00 177.93 174.83 3ie5 n GLN 29 N -3.29 0.25 -0.05 5.12 6.02 0.10 -3.91 117.38 121.62 3ie5 n GLN 29 Ca -0.02 -0.03 0.02 0.00 -0.01 0.00 0.00 57.00 56.97 3ie5 n GLN 29 Cb 0.17 -1.56 -0.16 0.00 1.02 0.00 0.00 30.24 29.72 3ie5 n GLN 29 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3ie5 n VAL 30 N -1.86 0.55 0.11 5.09 0.31 -0.76 -4.58 118.33 117.19 3ie5 n VAL 30 Ca 0.02 -0.62 -0.02 0.00 -0.01 0.00 0.00 64.34 63.71 3ie5 n VAL 30 Cb 0.42 -0.19 0.20 0.00 -0.91 0.00 0.00 33.84 33.36 3ie5 n VAL 30 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 3ie5 h LEU 31 N 0.00 0.18 -0.61 7.52 8.10 -1.57 -0.60 115.31 128.34 3ie5 h LEU 31 Ca -0.22 -0.09 -0.14 0.00 0.11 0.00 0.00 57.88 57.54 3ie5 h LEU 31 Cb 1.47 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.63 3ie5 h LEU 31 CO 0.01 0.65 -0.42 0.58 -4.11 0.00 0.00 178.44 175.15 3ie5 h VAL 32 N 0.14 1.30 -0.47 0.15 2.07 -1.83 -0.44 116.25 117.16 3ie5 h VAL 32 Ca 0.00 -1.59 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 3ie5 h VAL 32 Cb 0.92 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3ie5 h VAL 32 CO 0.07 0.51 -0.10 0.11 0.02 0.00 0.00 177.57 178.18 3ie5 h LYS 33 N 0.51 0.91 0.06 1.57 1.57 -1.65 -2.57 116.57 116.96 3ie5 h LYS 33 Ca 0.04 -0.34 -0.26 0.00 -1.87 0.00 0.00 60.65 58.22 3ie5 h LYS 33 Cb 0.94 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3ie5 h LYS 33 CO 0.08 0.99 -1.25 0.00 -0.57 0.00 0.00 179.45 178.70 3ie5 h ALA 34 N 0.89 0.32 -2.01 3.86 0.00 -1.12 -3.40 119.26 117.80 3ie5 h ALA 34 Ca 0.12 -1.01 -0.54 0.00 0.00 0.00 0.00 54.91 53.49 3ie5 h ALA 34 Cb 0.65 0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.10 3ie5 h ALA 34 CO 0.04 1.20 -1.12 1.04 0.00 0.00 0.00 179.25 180.41 3ie5 n GLN 35 N -3.38 0.89 0.04 0.00 6.02 -0.18 -4.79 117.38 115.97 3ie5 n GLN 35 Ca -0.07 -3.34 0.10 0.00 -0.01 0.00 0.00 57.00 53.67 3ie5 n GLN 35 Cb 1.00 -1.42 0.41 0.00 1.02 0.00 0.00 30.24 31.25 3ie5 n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3ie5 n PRO 36 N 0.99 0.06 0.00 -1.09 -0.04 -0.97 -1.35 135.00 132.61 3ie5 n PRO 36 Ca 0.23 0.24 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 3ie5 n PRO 36 Cb 0.57 -1.60 0.62 0.00 -0.04 0.00 0.00 33.50 33.05 3ie5 n PRO 36 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3ie5 n HIS 37 N -1.72 0.00 -0.02 0.54 1.44 -1.26 -4.25 115.22 109.94 3ie5 n HIS 37 Ca 0.04 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.71 3ie5 n HIS 37 Cb 0.23 -0.16 -0.02 0.00 0.12 0.00 0.00 29.99 30.16 3ie5 n HIS 37 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3ie5 n VAL 38 N -0.89 0.27 -4.48 0.61 0.31 -0.46 -4.85 118.33 108.85 3ie5 n VAL 38 Ca 0.15 -0.09 -0.34 0.00 -0.01 0.00 0.00 64.34 64.05 3ie5 n VAL 38 Cb 0.27 -0.98 -0.12 0.00 -0.91 0.00 0.00 33.84 32.10 3ie5 n VAL 38 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3ie5 s PHE 39 N -2.09 3.00 -0.16 3.52 0.08 -0.60 -1.30 117.98 120.42 3ie5 s PHE 39 Ca -0.07 -0.22 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 3ie5 s PHE 39 Cb 0.02 -1.88 -0.24 0.00 -0.57 0.00 0.00 43.02 40.35 3ie5 s PHE 39 CO 0.10 0.06 0.20 1.17 -0.10 0.00 0.00 175.22 176.65 3ie5 n LYS 40 N 3.16 0.73 -3.50 0.44 4.81 0.62 -4.58 118.16 119.84 3ie5 n LYS 40 Ca -0.18 0.23 -0.11 0.00 -0.87 0.00 0.00 58.31 57.38 3ie5 n LYS 40 Cb 0.53 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 3ie5 n LYS 40 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3ie5 s SER 41 N -6.88 -0.47 -0.11 3.14 1.04 -1.01 -4.98 113.70 104.43 3ie5 s SER 41 Ca -0.26 -0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.00 3ie5 s SER 41 Cb 0.07 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.81 3ie5 s SER 41 CO 0.72 -0.96 0.26 -0.83 0.98 0.00 0.00 173.24 173.41 3ie5 s GLY 42 N -2.77 -0.16 0.12 7.32 0.00 -1.25 -1.05 107.32 109.52 3ie5 s GLY 42 Ca 0.02 0.99 -0.17 0.00 0.00 0.00 0.00 44.72 45.56 3ie5 s GLY 42 CO -0.12 1.18 0.43 -1.83 0.00 0.00 0.00 173.10 172.76 3ie5 s GLU 43 N 1.08 1.08 -0.07 2.90 -1.05 -0.57 -4.67 118.70 117.41 3ie5 s GLU 43 Ca -0.08 -0.64 -0.25 0.00 -0.15 0.00 0.00 54.97 53.85 3ie5 s GLU 43 Cb -0.09 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 3ie5 s GLU 43 CO -0.07 -0.42 0.78 0.42 0.95 0.00 0.00 175.26 176.92 3ie5 s ILE 44 N -3.64 4.98 -0.32 1.83 1.01 -1.26 -0.73 121.20 123.07 3ie5 s ILE 44 Ca 0.02 1.61 0.12 0.00 0.00 0.00 0.00 60.65 62.39 3ie5 s ILE 44 Cb 0.01 -4.12 -0.15 0.00 0.01 0.00 0.00 42.46 38.21 3ie5 s ILE 44 CO -0.11 0.19 0.40 2.30 0.00 0.00 0.00 174.94 177.72 3ie5 n ILE 45 N 3.97 0.00 -3.67 2.92 -5.35 -0.27 -4.93 119.36 112.03 3ie5 n ILE 45 Ca 0.01 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 3ie5 n ILE 45 Cb 0.51 0.67 -0.08 0.00 -1.74 0.00 0.00 39.64 38.99 3ie5 n ILE 45 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3ie5 s GLU 46 N -2.41 0.67 0.04 6.28 2.12 -1.12 -4.97 118.70 119.31 3ie5 s GLU 46 Ca 0.01 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.19 3ie5 s GLU 46 Cb 0.08 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.77 3ie5 s GLU 46 CO 0.49 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 3ie5 n GLY 47 N 2.99 -3.39 0.34 -1.50 0.00 -1.26 -1.04 105.19 101.34 3ie5 n GLY 47 Ca -0.15 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.88 3ie5 n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ie5 n ASP 48 N -0.05 2.42 0.00 1.61 5.75 -1.26 -4.95 116.55 120.07 3ie5 n ASP 48 Ca 0.00 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3ie5 n ASP 48 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 3ie5 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ie5 n GLY 49 N 0.08 2.52 0.00 6.12 0.00 -1.26 -5.08 105.19 107.57 3ie5 n GLY 49 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ie5 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie5 n GLY 50 N -0.70 2.07 3.66 -0.02 0.00 -1.26 -4.90 105.19 104.04 3ie5 n GLY 50 Ca 0.00 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.59 3ie5 n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ie5 n VAL 51 N 0.00 0.88 0.00 1.61 0.31 -1.26 -1.58 118.33 118.29 3ie5 n VAL 51 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3ie5 n VAL 51 Cb 0.00 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3ie5 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ie5 n GLY 52 N 2.21 1.14 3.75 2.92 0.00 -0.10 -4.87 105.19 110.23 3ie5 n GLY 52 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3ie5 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ie5 s THR 53 N -2.29 2.49 -0.12 2.61 2.01 -0.61 -4.68 115.64 115.04 3ie5 s THR 53 Ca 0.00 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 3ie5 s THR 53 Cb 0.00 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 3ie5 s THR 53 CO 0.00 0.07 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.23 3ie5 s VAL 54 N -0.12 3.51 0.17 3.82 1.01 -0.20 -1.28 120.40 127.30 3ie5 s VAL 54 Ca 0.59 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.14 3ie5 s VAL 54 Cb -0.43 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3ie5 s VAL 54 CO 0.46 0.53 -0.03 0.42 0.00 0.00 0.00 175.10 176.48 3ie5 s THR 55 N 0.03 3.58 -0.13 3.92 -4.23 -0.35 -1.11 115.64 117.34 3ie5 s THR 55 Ca -0.02 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 3ie5 s THR 55 Cb -0.14 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 70.93 3ie5 s THR 55 CO 0.03 -0.09 -0.22 -0.75 -0.54 0.00 0.00 174.62 173.06 3ie5 s LYS 56 N -2.84 2.93 -0.05 3.99 2.20 0.10 -2.09 119.74 123.98 3ie5 s LYS 56 Ca 0.26 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 55.10 3ie5 s LYS 56 Cb -0.09 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.86 3ie5 s LYS 56 CO 0.17 0.01 -0.18 0.42 -0.36 0.00 0.00 175.35 175.42 3ie5 s ILE 57 N 0.75 2.72 -0.07 5.43 1.01 -0.36 -1.51 121.20 129.18 3ie5 s ILE 57 Ca -0.09 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3ie5 s ILE 57 Cb -0.16 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.28 3ie5 s ILE 57 CO -0.00 0.58 -0.15 -0.89 0.00 0.00 0.00 174.94 174.48 3ie5 s THR 58 N -0.59 1.35 0.56 2.92 2.01 -0.22 -1.13 115.64 120.55 3ie5 s THR 58 Ca 0.09 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 3ie5 s THR 58 Cb -0.11 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 3ie5 s THR 58 CO 0.01 0.40 0.96 -0.36 -0.69 0.00 0.00 174.62 174.93 3ie5 s PHE 59 N 0.46 3.57 0.89 4.92 0.08 -0.30 -0.27 117.98 127.32 3ie5 s PHE 59 Ca -0.13 1.22 -0.11 0.00 0.12 0.00 0.00 56.93 58.03 3ie5 s PHE 59 Cb -0.15 -2.64 0.13 0.00 -0.57 0.00 0.00 43.02 39.79 3ie5 s PHE 59 CO 0.04 -0.50 1.10 0.14 -0.10 0.00 0.00 175.22 175.91 3ie5 s VAL 60 N -2.92 2.61 0.40 -0.44 -7.23 -0.42 -4.39 120.40 108.01 3ie5 s VAL 60 Ca 0.54 0.20 -0.27 0.00 -1.81 0.00 0.00 61.98 60.64 3ie5 s VAL 60 Cb -0.11 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 3ie5 s VAL 60 CO 0.46 -0.26 1.40 -1.81 -0.31 0.00 0.00 175.10 174.58 3ie5 s ASP 61 N -3.06 6.28 0.00 4.85 1.01 -1.26 -2.51 116.67 121.98 3ie5 s ASP 61 Ca 0.64 2.87 0.00 0.00 0.71 0.00 0.00 52.55 56.77 3ie5 s ASP 61 Cb -0.20 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.07 3ie5 s ASP 61 CO 0.58 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.67 3ie5 n GLY 62 N 0.59 3.18 3.77 0.21 0.00 -1.26 -5.03 105.19 106.65 3ie5 n GLY 62 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3ie5 n GLY 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ie5 s HIS 63 N -2.17 3.02 0.55 1.61 5.04 -1.04 -4.93 115.29 117.36 3ie5 s HIS 63 Ca 0.00 1.52 0.25 0.00 -1.54 0.00 0.00 55.06 55.29 3ie5 s HIS 63 Cb 0.00 -3.46 1.60 0.00 0.04 0.00 0.00 32.58 30.76 3ie5 s HIS 63 CO 0.00 -1.49 2.19 -1.35 -2.34 0.00 0.00 174.74 171.75 3ie5 h PRO 64 N 2.67 0.00 -6.22 2.88 0.11 -1.96 -3.44 132.00 126.04 3ie5 h PRO 64 Ca -0.49 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.16 3ie5 h PRO 64 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ie5 h PRO 64 CO 0.63 0.03 -0.42 -0.51 -0.21 0.00 0.00 178.00 177.51 3ie5 s LEU 65 N -8.03 4.21 0.02 2.35 1.43 -1.26 -5.06 118.68 112.34 3ie5 s LEU 65 Ca -0.05 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3ie5 s LEU 65 Cb 0.15 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 3ie5 s LEU 65 CO 0.59 -0.15 -0.08 0.41 0.23 0.00 0.00 176.35 177.35 3ie5 n THR 66 N -1.45 1.17 -3.72 5.49 -1.04 -1.26 -4.60 114.28 108.88 3ie5 n THR 66 Ca -0.07 0.29 -0.10 0.00 -2.04 0.00 0.00 64.05 62.13 3ie5 n THR 66 Cb 0.57 -1.75 -0.04 0.00 -1.82 0.00 0.00 70.33 67.30 3ie5 n THR 66 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 3ie5 s TYR 67 N -2.20 -0.14 -0.00 -1.42 -0.85 -1.26 -1.14 117.35 110.33 3ie5 s TYR 67 Ca -0.07 -0.20 -0.01 0.00 -0.52 0.00 0.00 57.07 56.27 3ie5 s TYR 67 Cb 0.01 0.40 -0.00 0.00 0.38 0.00 0.00 41.96 42.75 3ie5 s TYR 67 CO 0.10 -0.91 0.01 -1.64 -1.52 0.00 0.00 175.55 171.59 3ie5 s MET 68 N -3.87 0.12 -0.09 -3.49 -1.94 -0.28 -3.42 119.30 106.33 3ie5 s MET 68 Ca 0.09 -0.15 0.01 0.00 -1.71 0.00 0.00 55.69 53.92 3ie5 s MET 68 Cb -0.01 0.04 -0.02 0.00 2.01 0.00 0.00 34.83 36.85 3ie5 s MET 68 CO -0.03 -0.02 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.34 3ie5 s LEU 69 N -0.42 2.91 0.12 -0.03 1.43 0.19 -1.22 118.68 121.65 3ie5 s LEU 69 Ca -0.05 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 3ie5 s LEU 69 Cb -0.03 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3ie5 s LEU 69 CO -0.00 0.27 -0.22 -1.00 0.23 0.00 0.00 176.35 175.62 3ie5 s HIS 70 N -0.25 1.93 -0.03 0.29 3.76 -0.89 -1.77 115.29 118.33 3ie5 s HIS 70 Ca 0.02 -0.41 0.06 0.00 -0.15 0.00 0.00 55.06 54.58 3ie5 s HIS 70 Cb -0.13 -1.04 -0.01 0.00 1.11 0.00 0.00 32.58 32.51 3ie5 s HIS 70 CO 0.03 0.26 -0.20 0.21 -0.85 0.00 0.00 174.74 174.18 3ie5 s LYS 71 N -2.05 1.84 -0.22 1.40 2.20 -0.03 -1.22 119.74 121.67 3ie5 s LYS 71 Ca 0.09 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 3ie5 s LYS 71 Cb -0.10 -1.68 0.01 0.00 -1.51 0.00 0.00 37.83 34.55 3ie5 s LYS 71 CO 0.05 0.37 1.07 -0.06 -0.36 0.00 0.00 175.35 176.42 3ie5 s PHE 72 N -0.27 3.29 -0.18 4.03 0.08 -0.41 -0.85 117.98 123.67 3ie5 s PHE 72 Ca 0.03 1.42 -0.06 0.00 0.12 0.00 0.00 56.93 58.43 3ie5 s PHE 72 Cb -0.10 -3.29 -0.22 0.00 -0.57 0.00 0.00 43.02 38.84 3ie5 s PHE 72 CO 0.01 -0.62 0.12 -0.25 -0.10 0.00 0.00 175.22 174.39 3ie5 n ASP 73 N 6.29 2.05 -3.78 1.36 8.00 0.35 -0.93 116.55 129.88 3ie5 n ASP 73 Ca 0.12 0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.63 3ie5 n ASP 73 Cb 0.46 -0.73 -0.12 0.00 -0.02 0.00 0.00 41.12 40.71 3ie5 n ASP 73 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ie5 s GLU 74 N -2.52 0.26 -0.04 -1.24 2.02 -0.84 -4.75 118.70 111.59 3ie5 s GLU 74 Ca -0.28 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.06 3ie5 s GLU 74 Cb 0.08 0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.43 3ie5 s GLU 74 CO 0.68 -0.05 -0.01 0.42 0.02 0.00 0.00 175.26 176.32 3ie5 s ILE 75 N 0.28 0.29 -0.44 -1.63 1.01 -1.26 -1.20 121.20 118.25 3ie5 s ILE 75 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.70 3ie5 s ILE 75 Cb -0.03 -0.38 0.14 0.00 0.01 0.00 0.00 42.46 42.20 3ie5 s ILE 75 CO -0.01 0.18 0.24 -0.62 0.00 0.00 0.00 174.94 174.73 3ie5 s ASP 76 N 1.16 3.61 0.29 3.58 -1.08 -0.05 -5.00 116.67 119.19 3ie5 s ASP 76 Ca -0.08 -2.61 0.05 0.00 -0.52 0.00 0.00 52.55 49.40 3ie5 s ASP 76 Cb -0.14 -1.00 0.46 0.00 -1.46 0.00 0.00 42.92 40.78 3ie5 s ASP 76 CO -0.02 -0.27 1.72 0.00 0.52 0.00 0.00 175.17 177.13 3ie5 h ALA 77 N 6.74 1.13 -0.06 3.66 0.00 -1.96 -1.01 119.26 127.75 3ie5 h ALA 77 Ca -0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3ie5 h ALA 77 Cb 0.93 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ie5 h ALA 77 CO 0.47 0.56 -0.25 0.00 0.00 0.00 0.00 179.25 180.03 3ie5 h ALA 78 N 1.36 1.47 -0.49 0.00 0.00 -1.95 -1.52 119.26 118.14 3ie5 h ALA 78 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ie5 h ALA 78 Cb 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ie5 h ALA 78 CO 0.06 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.78 3ie5 n ASN 79 N -4.20 3.30 -3.71 0.00 3.02 -0.98 -4.97 115.26 107.72 3ie5 n ASN 79 Ca -0.02 -1.97 -0.22 0.00 -0.03 0.00 0.00 54.58 52.35 3ie5 n ASN 79 Cb 0.33 -0.32 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3ie5 n ASN 79 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ie5 n PHE 80 N 1.34 -1.90 -5.09 3.10 3.72 -0.57 -4.35 117.46 113.71 3ie5 n PHE 80 Ca 0.20 0.84 -0.28 0.00 -0.05 0.00 0.00 57.45 58.15 3ie5 n PHE 80 Cb 0.56 -4.36 -0.16 0.00 -0.94 0.00 0.00 39.48 34.58 3ie5 n PHE 80 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3ie5 s TYR 81 N -3.68 2.02 -0.11 1.38 5.04 -0.47 -1.41 117.35 120.11 3ie5 s TYR 81 Ca 0.01 -0.43 -0.10 0.00 -2.44 0.00 0.00 57.07 54.11 3ie5 s TYR 81 Cb -0.00 -1.31 0.03 0.00 0.35 0.00 0.00 41.96 41.03 3ie5 s TYR 81 CO 0.82 -0.07 0.30 0.00 -1.34 0.00 0.00 175.55 175.25 3ie5 s LYS 83 N 0.33 3.65 0.08 0.00 2.20 -0.34 -0.62 119.74 125.04 3ie5 s LYS 83 Ca -0.01 -0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 55.04 3ie5 s LYS 83 Cb -0.03 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 3ie5 s LYS 83 CO -0.01 0.19 0.05 1.52 -0.36 0.00 0.00 175.35 176.73 3ie5 s TYR 84 N 0.51 0.49 -0.08 4.03 -0.85 -0.45 -0.50 117.35 120.50 3ie5 s TYR 84 Ca -0.03 -0.97 0.02 0.00 -0.52 0.00 0.00 57.07 55.56 3ie5 s TYR 84 Cb -0.14 -0.31 0.02 0.00 0.38 0.00 0.00 41.96 41.90 3ie5 s TYR 84 CO 0.03 -0.46 -0.11 0.99 -1.52 0.00 0.00 175.55 174.48 3ie5 s THR 85 N -3.93 1.11 -0.48 -3.49 2.01 -0.03 -0.65 115.64 110.19 3ie5 s THR 85 Ca 0.10 -0.44 -0.28 0.00 0.31 0.00 0.00 61.69 61.38 3ie5 s THR 85 Cb 0.07 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.57 3ie5 s THR 85 CO -0.08 0.36 1.09 -0.22 -0.69 0.00 0.00 174.62 175.08 3ie5 s LEU 86 N 0.91 3.72 0.00 4.42 2.96 0.47 -0.85 118.68 130.31 3ie5 s LEU 86 Ca -0.10 0.38 0.06 0.00 -0.22 0.00 0.00 54.13 54.24 3ie5 s LEU 86 Cb -0.15 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3ie5 s LEU 86 CO 0.01 -1.21 0.38 2.22 -1.32 0.00 0.00 176.35 176.43 3ie5 n PHE 87 N 7.69 0.00 -3.69 5.38 1.16 -0.73 -1.50 117.46 125.77 3ie5 n PHE 87 Ca 0.11 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.55 3ie5 n PHE 87 Cb 0.49 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.27 3ie5 n PHE 87 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3ie5 s GLU 88 N -1.21 0.66 0.00 3.97 2.12 -1.21 -4.86 118.70 118.17 3ie5 s GLU 88 Ca 0.04 0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.96 3ie5 s GLU 88 Cb 0.04 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.75 3ie5 s GLU 88 CO 0.18 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 3ie5 n GLY 89 N 2.47 3.87 0.15 -1.50 0.00 -1.26 -0.63 105.19 108.28 3ie5 n GLY 89 Ca -0.15 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 44.77 3ie5 n GLY 89 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ie5 h ASP 90 N 0.00 0.00 0.14 1.61 2.03 -1.93 -1.54 116.42 116.72 3ie5 h ASP 90 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3ie5 h ASP 90 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3ie5 h ASP 90 CO 0.00 0.00 -0.04 1.62 -1.03 0.00 0.00 179.24 179.79 3ie5 h VAL 91 N 0.00 0.46 0.00 4.15 3.04 -1.92 -0.95 116.25 121.03 3ie5 h VAL 91 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3ie5 h VAL 91 Cb 0.48 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 3ie5 h VAL 91 CO 0.00 0.04 0.00 0.18 -1.01 0.00 0.00 177.57 176.78 3ie5 n LEU 92 N -3.67 0.20 0.00 3.16 4.77 -0.58 -4.98 117.00 115.90 3ie5 n LEU 92 Ca -0.03 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3ie5 n LEU 92 Cb 0.13 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3ie5 n LEU 92 CO 0.27 -0.16 0.00 0.54 -1.33 0.00 0.00 177.39 176.71 3ie5 n ARG 93 N -1.70 0.00 -0.01 3.23 1.74 -0.36 -2.68 116.66 116.88 3ie5 n ARG 93 Ca 0.05 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.23 3ie5 n ARG 93 Cb 0.29 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.59 3ie5 n ARG 93 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ie5 n ASP 94 N -0.09 0.60 -0.01 0.55 8.00 -1.26 -4.69 116.55 119.65 3ie5 n ASP 94 Ca 0.00 -0.37 0.08 0.00 0.71 0.00 0.00 54.79 55.21 3ie5 n ASP 94 Cb 0.00 1.56 -0.12 0.00 -0.02 0.00 0.00 41.12 42.54 3ie5 n ASP 94 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ie5 n ASN 95 N -1.91 1.18 -4.64 -2.24 6.94 -1.22 -4.87 115.26 108.49 3ie5 n ASN 95 Ca -0.01 -0.12 -0.36 0.00 -0.02 0.00 0.00 54.58 54.08 3ie5 n ASN 95 Cb 0.44 1.65 -0.10 0.00 -2.36 0.00 0.00 39.78 39.41 3ie5 n ASN 95 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ie5 s ILE 96 N -3.05 5.09 -0.03 1.53 -1.09 -1.09 -1.29 121.20 121.25 3ie5 s ILE 96 Ca -0.04 0.08 -0.25 0.00 -2.23 0.00 0.00 60.65 58.21 3ie5 s ILE 96 Cb 0.11 -3.34 -0.21 0.00 -1.58 0.00 0.00 42.46 37.44 3ie5 s ILE 96 CO 0.68 0.39 1.16 -0.08 -1.23 0.00 0.00 174.94 175.86 3ie5 h GLU 97 N 7.23 0.10 -2.47 2.79 4.57 -1.09 -3.45 114.58 122.26 3ie5 h GLU 97 Ca -0.38 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 57.81 3ie5 h GLU 97 Cb 1.17 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.63 3ie5 h GLU 97 CO 0.68 0.70 0.42 -1.59 -1.18 0.00 0.00 179.01 178.03 3ie5 s LYS 98 N -3.74 0.99 -0.10 1.92 -2.85 -1.20 -4.77 119.74 109.99 3ie5 s LYS 98 Ca -0.16 -0.39 0.03 0.00 -1.00 0.00 0.00 55.97 54.45 3ie5 s LYS 98 Cb 0.01 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.23 3ie5 s LYS 98 CO 0.70 -0.44 -0.19 0.08 0.10 0.00 0.00 175.35 175.61 3ie5 s VAL 99 N -3.30 1.74 -0.14 1.79 1.01 -0.56 -1.31 120.40 119.63 3ie5 s VAL 99 Ca 0.05 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3ie5 s VAL 99 Cb -0.01 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3ie5 s VAL 99 CO -0.08 0.49 -0.04 -0.69 0.00 0.00 0.00 175.10 174.77 3ie5 s VAL 100 N 0.64 3.87 -0.05 2.92 1.01 0.07 -0.40 120.40 128.47 3ie5 s VAL 100 Ca -0.13 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.53 3ie5 s VAL 100 Cb -0.16 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3ie5 s VAL 100 CO 0.04 0.52 -0.23 -0.31 0.00 0.00 0.00 175.10 175.12 3ie5 s TYR 101 N 0.08 2.47 -0.10 5.22 2.02 0.18 -0.63 117.35 126.59 3ie5 s TYR 101 Ca -0.01 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.16 3ie5 s TYR 101 Cb -0.14 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 3ie5 s TYR 101 CO 0.03 -0.11 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.52 3ie5 s GLU 102 N -0.33 2.33 -0.08 -0.62 2.02 -0.27 -1.35 118.70 120.39 3ie5 s GLU 102 Ca 0.02 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.41 3ie5 s GLU 102 Cb -0.12 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 3ie5 s GLU 102 CO 0.02 -0.01 -0.12 0.08 0.02 0.00 0.00 175.26 175.26 3ie5 s VAL 103 N 0.82 3.25 -0.05 2.63 1.01 0.21 -0.93 120.40 127.35 3ie5 s VAL 103 Ca -0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3ie5 s VAL 103 Cb -0.16 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.93 3ie5 s VAL 103 CO 0.01 0.57 0.08 -0.75 0.00 0.00 0.00 175.10 175.01 3ie5 s LYS 104 N -0.35 -0.04 0.27 2.72 2.47 -0.40 -1.40 119.74 123.01 3ie5 s LYS 104 Ca 0.04 0.39 0.11 0.00 -1.56 0.00 0.00 55.97 54.95 3ie5 s LYS 104 Cb -0.12 -0.39 -0.05 0.00 -1.46 0.00 0.00 37.83 35.81 3ie5 s LYS 104 CO 0.02 -0.29 -0.13 -0.51 0.16 0.00 0.00 175.35 174.61 3ie5 s LEU 105 N 1.95 2.82 0.06 5.43 1.43 -0.50 -1.10 118.68 128.77 3ie5 s LEU 105 Ca 0.01 -0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 3ie5 s LEU 105 Cb -0.12 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.76 3ie5 s LEU 105 CO -0.04 0.03 0.19 -1.83 0.23 0.00 0.00 176.35 174.93 3ie5 s GLU 106 N -3.55 0.75 0.27 1.70 -1.05 -0.31 -4.52 118.70 111.98 3ie5 s GLU 106 Ca 0.30 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 3ie5 s GLU 106 Cb -0.06 0.31 -0.10 0.00 -0.44 0.00 0.00 34.13 33.85 3ie5 s GLU 106 CO 0.17 -0.23 1.33 0.00 0.95 0.00 0.00 175.26 177.48 3ie5 s ALA 107 N -3.15 3.54 -0.14 -0.84 0.00 -1.26 -0.96 121.76 118.95 3ie5 s ALA 107 Ca -0.01 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 3ie5 s ALA 107 Cb 0.02 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.69 3ie5 s ALA 107 CO -0.07 -0.61 0.04 0.08 0.00 0.00 0.00 175.76 175.20 3ie5 s VAL 108 N -0.44 0.32 0.00 0.00 1.01 -0.53 -4.77 120.40 115.98 3ie5 s VAL 108 Ca 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3ie5 s VAL 108 Cb -0.39 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3ie5 s VAL 108 CO 0.45 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3ie5 n GLY 109 N 5.14 2.24 0.90 4.51 0.00 -1.26 -0.89 105.19 115.83 3ie5 n GLY 109 Ca -0.08 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.47 3ie5 n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie5 n GLY 110 N 0.00 0.86 0.00 -0.02 0.00 -1.26 -4.96 105.19 99.81 3ie5 n GLY 110 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3ie5 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie5 n GLY 111 N 1.32 5.06 3.06 -0.02 0.00 -0.06 -3.56 105.19 110.99 3ie5 n GLY 111 Ca 0.13 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 3ie5 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie5 s SER 112 N 0.99 0.52 -0.12 1.61 0.01 0.07 -1.46 113.70 115.33 3ie5 s SER 112 Ca 0.00 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.47 3ie5 s SER 112 Cb 0.00 0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 3ie5 s SER 112 CO 0.00 -0.45 -0.15 -0.75 0.41 0.00 0.00 173.24 172.30 3ie5 s LYS 113 N -2.91 3.23 0.07 12.44 2.20 -0.13 -1.03 119.74 133.61 3ie5 s LYS 113 Ca -0.01 -0.72 0.09 0.00 -0.36 0.00 0.00 55.97 54.97 3ie5 s LYS 113 Cb 0.00 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 3ie5 s LYS 113 CO -0.06 0.26 -0.23 0.20 -0.36 0.00 0.00 175.35 175.16 3ie5 s GLY 114 N 0.23 1.52 -0.03 5.54 0.00 -0.09 -1.16 107.32 113.32 3ie5 s GLY 114 Ca -0.10 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.33 3ie5 s GLY 114 CO 0.06 -1.23 -0.06 1.25 0.00 0.00 0.00 173.10 173.12 3ie5 s LYS 115 N -1.59 0.82 -0.02 2.90 2.20 -0.26 -1.87 119.74 121.91 3ie5 s LYS 115 Ca 0.14 -0.17 0.05 0.00 -0.36 0.00 0.00 55.97 55.63 3ie5 s LYS 115 Cb -0.10 -0.80 -0.01 0.00 -1.51 0.00 0.00 37.83 35.41 3ie5 s LYS 115 CO 0.05 -0.00 -0.17 -1.50 -0.36 0.00 0.00 175.35 173.36 3ie5 s ILE 116 N 0.59 1.38 -0.07 5.43 2.07 0.08 -1.28 121.20 129.40 3ie5 s ILE 116 Ca -0.08 -0.73 0.04 0.00 -1.41 0.00 0.00 60.65 58.46 3ie5 s ILE 116 Cb -0.12 -1.16 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 3ie5 s ILE 116 CO 0.00 0.39 -0.18 0.42 -1.91 0.00 0.00 174.94 173.67 3ie5 s THR 117 N -0.28 2.74 -0.09 4.00 -4.23 -0.10 -0.84 115.64 116.83 3ie5 s THR 117 Ca 0.04 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 3ie5 s THR 117 Cb -0.08 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.71 3ie5 s THR 117 CO 0.00 0.57 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.83 3ie5 s VAL 118 N -0.35 1.31 -0.16 2.29 1.01 0.09 -1.12 120.40 123.47 3ie5 s VAL 118 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3ie5 s VAL 118 Cb -0.12 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3ie5 s VAL 118 CO 0.02 0.40 -0.14 -0.89 0.00 0.00 0.00 175.10 174.50 3ie5 s THR 119 N 0.93 1.62 -0.21 3.92 2.01 0.20 -0.95 115.64 123.16 3ie5 s THR 119 Ca -0.09 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 3ie5 s THR 119 Cb -0.15 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 3ie5 s THR 119 CO -0.00 0.41 0.43 -0.31 -0.69 0.00 0.00 174.62 174.46 3ie5 s TYR 120 N 1.46 3.35 -0.33 4.92 2.02 0.32 -0.75 117.35 128.35 3ie5 s TYR 120 Ca 0.04 0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 57.32 3ie5 s TYR 120 Cb -0.13 -2.58 0.04 0.00 -0.40 0.00 0.00 41.96 38.89 3ie5 s TYR 120 CO -0.10 -0.07 0.08 -1.01 -1.57 0.00 0.00 175.55 172.88 3ie5 s HIS 121 N 1.52 3.24 0.51 2.71 3.76 -0.43 -1.37 115.29 125.23 3ie5 s HIS 121 Ca 0.20 -1.45 -0.18 0.00 -0.15 0.00 0.00 55.06 53.47 3ie5 s HIS 121 Cb -0.15 -2.24 -0.07 0.00 1.11 0.00 0.00 32.58 31.22 3ie5 s HIS 121 CO 0.09 -0.73 1.02 -1.25 -0.85 0.00 0.00 174.74 173.02 3ie5 s PRO 122 N 1.39 3.77 0.72 8.40 0.04 -1.26 -0.58 135.00 147.48 3ie5 s PRO 122 Ca -0.02 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 3ie5 s PRO 122 Cb -0.19 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3ie5 s PRO 122 CO 0.02 -0.43 1.14 0.15 0.04 0.00 0.00 177.00 177.92 3ie5 s LYS 123 N -3.63 2.35 0.20 4.56 1.02 -0.41 -4.58 119.74 119.25 3ie5 s LYS 123 Ca 0.64 1.48 -0.32 0.00 0.02 0.00 0.00 55.97 57.78 3ie5 s LYS 123 Cb -0.14 -1.89 -0.13 0.00 -0.52 0.00 0.00 37.83 35.15 3ie5 s LYS 123 CO 0.26 -1.61 1.54 -2.30 -0.92 0.00 0.00 175.35 172.31 3ie5 n PRO 124 N -2.85 2.22 -0.66 -1.68 -0.02 -1.26 -0.93 135.00 129.83 3ie5 n PRO 124 Ca 0.11 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3ie5 n PRO 124 Cb 0.52 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3ie5 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ie5 n GLY 125 N 2.94 0.78 3.61 -1.23 0.00 -1.26 -5.04 105.19 105.00 3ie5 n GLY 125 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3ie5 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie5 s THR 127 N -2.80 1.08 -0.24 0.00 -1.32 -1.26 -4.61 115.64 106.49 3ie5 s THR 127 Ca 0.32 -2.04 -0.13 0.00 -1.21 0.00 0.00 61.69 58.63 3ie5 s THR 127 Cb 0.09 -2.21 -0.05 0.00 -1.51 0.00 0.00 72.50 68.82 3ie5 s THR 127 CO 0.16 -0.44 0.26 -0.69 -2.21 0.00 0.00 174.62 171.70 3ie5 s VAL 128 N -3.39 5.28 -0.21 5.08 1.01 -1.26 -4.80 120.40 122.11 3ie5 s VAL 128 Ca 0.25 0.38 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 3ie5 s VAL 128 Cb 0.05 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 3ie5 s VAL 128 CO 0.07 0.28 0.74 0.21 0.00 0.00 0.00 175.10 176.40 3ie5 s ASN 129 N 1.24 6.79 0.23 3.32 3.84 -1.26 -4.97 114.94 124.13 3ie5 s ASN 129 Ca 0.12 0.97 -0.04 0.00 0.21 0.00 0.00 52.86 54.11 3ie5 s ASN 129 Cb -0.15 -2.40 0.23 0.00 -0.55 0.00 0.00 41.25 38.38 3ie5 s ASN 129 CO 0.07 -0.39 1.70 -0.33 -2.79 0.00 0.00 177.10 175.36 3ie5 h GLU 130 N 7.56 0.88 -0.62 0.43 5.08 -1.99 -1.87 114.58 124.04 3ie5 h GLU 130 Ca -0.28 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 3ie5 h GLU 130 Cb 1.12 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 3ie5 h GLU 130 CO 0.82 0.90 0.30 0.93 -1.00 0.00 0.00 179.01 180.96 3ie5 h GLU 131 N 0.81 0.89 -0.99 2.33 4.39 -1.99 0.14 114.58 120.16 3ie5 h GLU 131 Ca 0.15 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.77 3ie5 h GLU 131 Cb 0.53 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 3ie5 h GLU 131 CO 0.03 0.71 0.64 0.93 -1.16 0.00 0.00 179.01 180.16 3ie5 h GLU 132 N 0.85 1.17 -0.43 2.33 5.08 -1.89 -1.16 114.58 120.54 3ie5 h GLU 132 Ca 0.21 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3ie5 h GLU 132 Cb 0.11 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3ie5 h GLU 132 CO -0.03 0.78 -0.26 0.28 -1.00 0.00 0.00 179.01 178.78 3ie5 h VAL 133 N 1.21 1.27 -0.64 3.13 2.07 -0.69 -1.79 116.25 120.81 3ie5 h VAL 133 Ca 0.41 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3ie5 h VAL 133 Cb 0.08 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3ie5 h VAL 133 CO -0.15 0.48 0.36 0.11 0.02 0.00 0.00 177.57 178.39 3ie5 h LYS 134 N 0.77 0.89 -0.44 1.57 1.57 -0.09 0.06 116.57 120.90 3ie5 h LYS 134 Ca 0.09 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3ie5 h LYS 134 Cb 0.82 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3ie5 h LYS 134 CO 0.07 0.67 -0.24 0.82 -0.57 0.00 0.00 179.45 180.20 3ie5 h ILE 135 N 0.88 1.27 -0.52 1.86 2.04 -1.09 -0.46 117.51 121.49 3ie5 h ILE 135 Ca 0.23 -1.40 -0.11 0.00 1.00 0.00 0.00 64.86 64.58 3ie5 h ILE 135 Cb 0.03 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ie5 h ILE 135 CO -0.04 0.48 -0.09 1.23 0.00 0.00 0.00 178.15 179.73 3ie5 h GLY 136 N 0.90 1.07 1.77 5.37 0.00 -0.98 -2.43 103.07 108.76 3ie5 h GLY 136 Ca 0.10 -0.85 -0.15 0.00 0.00 0.00 0.00 47.33 46.42 3ie5 h GLY 136 CO 0.07 0.78 -0.65 0.83 0.00 0.00 0.00 176.54 177.57 3ie5 h GLU 137 N 0.85 0.24 -0.33 4.80 4.39 -0.83 0.76 114.58 124.46 3ie5 h GLU 137 Ca 0.14 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3ie5 h GLU 137 Cb 0.65 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3ie5 h GLU 137 CO 0.04 0.80 0.16 -0.22 -1.16 0.00 0.00 179.01 178.64 3ie5 h LYS 138 N 0.17 0.47 -0.37 2.33 3.64 -0.95 -0.41 116.57 121.44 3ie5 h LYS 138 Ca -0.01 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 3ie5 h LYS 138 Cb 1.17 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3ie5 h LYS 138 CO 0.10 0.42 -0.11 0.87 -2.27 0.00 0.00 179.45 178.46 3ie5 h LYS 139 N 0.39 0.65 -0.63 1.90 1.79 -1.20 -0.99 116.57 118.48 3ie5 h LYS 139 Ca 0.11 -0.20 -0.07 0.00 -2.18 0.00 0.00 60.65 58.32 3ie5 h LYS 139 Cb 0.11 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 3ie5 h LYS 139 CO -0.01 0.74 0.13 0.00 -1.08 0.00 0.00 179.45 179.23 3ie5 h ALA 140 N 1.29 1.03 -0.19 3.86 0.00 -0.60 -1.99 119.26 122.66 3ie5 h ALA 140 Ca 0.11 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3ie5 h ALA 140 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ie5 h ALA 140 CO 0.03 0.63 -0.54 -0.92 0.00 0.00 0.00 179.25 178.45 3ie5 h TYR 141 N 0.96 0.71 -0.20 0.00 3.20 -0.61 -0.83 116.97 120.21 3ie5 h TYR 141 Ca 0.20 -0.25 0.02 0.00 3.14 0.00 0.00 58.73 61.84 3ie5 h TYR 141 Cb 0.38 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3ie5 h TYR 141 CO 0.03 0.98 0.05 0.93 -1.64 0.00 0.00 178.16 178.51 3ie5 h GLU 142 N 0.44 0.13 -0.45 1.82 5.08 -1.04 -0.19 114.58 120.36 3ie5 h GLU 142 Ca 0.01 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 3ie5 h GLU 142 Cb 1.08 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 3ie5 h GLU 142 CO 0.10 0.08 0.02 0.35 -1.00 0.00 0.00 179.01 178.57 3ie5 h PHE 143 N 0.13 0.01 -0.10 4.33 3.57 -1.13 0.24 116.94 124.00 3ie5 h PHE 143 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3ie5 h PHE 143 Cb 0.07 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3ie5 h PHE 143 CO -0.13 -0.07 0.05 -0.92 -2.23 0.00 0.00 178.31 175.01 3ie5 h TYR 144 N 0.14 0.10 -0.02 0.41 3.20 -0.71 0.70 116.97 120.78 3ie5 h TYR 144 Ca 0.22 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 3ie5 h TYR 144 Cb 0.32 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3ie5 h TYR 144 CO -0.27 0.06 -0.43 0.87 -1.64 0.00 0.00 178.16 176.75 3ie5 h LYS 145 N 0.12 0.05 0.00 1.82 1.79 -0.81 -1.24 116.57 118.29 3ie5 h LYS 145 Ca 0.04 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.31 3ie5 h LYS 145 Cb -0.00 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 3ie5 h LYS 145 CO -0.02 0.47 -0.82 1.96 -1.08 0.00 0.00 179.45 179.97 3ie5 h GLN 146 N 0.04 0.00 -0.43 3.15 4.20 -0.36 -0.73 115.11 120.98 3ie5 h GLN 146 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3ie5 h GLN 146 Cb 0.78 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 3ie5 h GLN 146 CO 0.06 0.82 0.11 0.28 -0.67 0.00 0.00 178.83 179.43 3ie5 h VAL 147 N 0.00 1.23 -0.56 -0.54 2.07 -0.61 -0.86 116.25 116.98 3ie5 h VAL 147 Ca -0.01 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3ie5 h VAL 147 Cb 1.50 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3ie5 h VAL 147 CO 0.11 0.28 0.35 -0.08 0.02 0.00 0.00 177.57 178.24 3ie5 h GLU 148 N 0.56 0.76 -0.32 1.57 4.81 -1.03 -0.19 114.58 120.74 3ie5 h GLU 148 Ca 0.14 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 3ie5 h GLU 148 Cb 0.30 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3ie5 h GLU 148 CO -0.00 0.54 -0.10 0.93 -0.73 0.00 0.00 179.01 179.65 3ie5 h GLU 149 N 0.76 0.54 -0.29 1.92 5.08 -1.02 -0.50 114.58 121.08 3ie5 h GLU 149 Ca 0.20 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3ie5 h GLU 149 Cb -0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3ie5 h GLU 149 CO -0.04 0.64 0.05 -0.92 -1.00 0.00 0.00 179.01 177.74 3ie5 h TYR 150 N 0.50 0.51 -0.20 4.33 3.20 -0.68 -1.64 116.97 123.00 3ie5 h TYR 150 Ca 0.10 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3ie5 h TYR 150 Cb 0.48 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3ie5 h TYR 150 CO 0.02 0.57 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.76 3ie5 h LEU 151 N 0.30 0.37 -0.78 2.82 3.38 -0.67 -1.51 115.31 119.22 3ie5 h LEU 151 Ca 0.09 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3ie5 h LEU 151 Cb 0.33 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ie5 h LEU 151 CO 0.00 0.64 -0.47 0.00 0.09 0.00 0.00 178.44 178.70 3ie5 h ALA 152 N 1.39 0.96 0.00 1.53 0.00 -1.00 -2.94 119.26 119.21 3ie5 h ALA 152 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ie5 h ALA 152 Cb 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ie5 h ALA 152 CO 0.05 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3ie5 h ALA 153 N 1.25 1.00 -2.15 0.00 0.00 -0.94 -3.37 119.26 115.06 3ie5 h ALA 153 Ca 0.01 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.35 3ie5 h ALA 153 Cb 0.93 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.32 3ie5 h ALA 153 CO 0.08 0.00 -0.91 0.09 0.00 0.00 0.00 179.25 178.51 3ie5 n ASN 154 N -2.69 1.35 0.29 0.00 3.02 -0.60 -4.99 115.26 111.64 3ie5 n ASN 154 Ca 0.04 -2.92 0.16 0.00 -0.03 0.00 0.00 54.58 51.83 3ie5 n ASN 154 Cb 0.42 -0.65 0.89 0.00 -0.61 0.00 0.00 39.78 39.84 3ie5 n ASN 154 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3ie5 h PRO 155 N 4.27 0.00 0.00 3.52 0.11 -1.72 -1.39 132.00 136.79 3ie5 h PRO 155 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3ie5 h PRO 155 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3ie5 h PRO 155 CO 0.58 0.05 -0.04 1.05 -0.21 0.00 0.00 178.00 179.43 3ie5 h GLU 156 N 0.00 0.00 -6.36 1.05 9.09 -1.94 -3.40 114.58 113.02 3ie5 h GLU 156 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 3ie5 h GLU 156 Cb 0.17 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.26 3ie5 h GLU 156 CO 0.01 0.04 0.80 0.08 0.05 0.00 0.00 179.01 179.99 3ie5 s VAL 157 N -3.61 3.84 -0.13 -1.06 1.01 -0.53 -1.99 120.40 117.93 3ie5 s VAL 157 Ca 0.02 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.20 3ie5 s VAL 157 Cb 0.09 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3ie5 s VAL 157 CO 0.57 -0.00 0.00 0.49 0.00 0.00 0.00 175.10 176.16 3ie5 n PHE 158 N 5.35 0.00 1.46 5.22 3.72 -1.26 -4.94 117.46 127.01 3ie5 n PHE 158 Ca 0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.64 3ie5 n PHE 158 Cb 0.44 -1.97 0.69 0.00 -0.94 0.00 0.00 39.48 37.71 3ie5 n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71