#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie7 s LYS 2 N 0.00 1.27 -0.10 2.12 1.02 -1.26 -5.15 119.74 117.64 1ie7 s LYS 2 Ca 0.00 -1.28 0.01 0.00 0.02 0.00 0.00 55.97 54.72 1ie7 s LYS 2 Cb 0.00 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 1ie7 s LYS 2 CO 0.00 0.38 -0.11 0.42 -0.92 0.00 0.00 175.35 175.11 1ie7 s ILE 3 N -1.21 3.26 0.69 2.17 1.01 -1.26 -5.10 121.20 120.77 1ie7 s ILE 3 Ca 0.11 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 1ie7 s ILE 3 Cb -0.10 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1ie7 s ILE 3 CO 0.05 0.55 1.07 0.54 0.00 0.00 0.00 174.94 177.16 1ie7 s ASN 4 N -0.11 5.17 0.41 3.58 4.22 -1.26 -4.80 114.94 122.15 1ie7 s ASN 4 Ca -0.01 1.76 0.17 0.00 -2.14 0.00 0.00 52.86 52.64 1ie7 s ASN 4 Cb -0.14 -2.52 0.87 0.00 1.28 0.00 0.00 41.25 40.75 1ie7 s ASN 4 CO 0.03 -1.58 1.86 0.03 -2.04 0.00 0.00 177.10 175.40 1ie7 h ARG 5 N -0.54 0.00 -0.37 3.55 3.08 -1.99 -1.14 114.38 116.98 1ie7 h ARG 5 Ca -0.45 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 1ie7 h ARG 5 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1ie7 h ARG 5 CO 0.55 0.32 0.09 0.37 -1.07 0.00 0.00 179.97 180.23 1ie7 h GLN 6 N 0.00 0.59 -0.28 0.04 5.75 -1.99 -1.08 115.11 118.14 1ie7 h GLN 6 Ca -0.00 -0.14 -0.13 0.00 -0.15 0.00 0.00 58.65 58.23 1ie7 h GLN 6 Cb 0.65 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1ie7 h GLN 6 CO 0.04 0.63 -0.35 0.37 -2.65 0.00 0.00 178.83 176.87 1ie7 h GLN 7 N 0.45 0.62 0.27 1.69 5.75 -1.88 -1.44 115.11 120.56 1ie7 h GLN 7 Ca 0.12 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 1ie7 h GLN 7 Cb 0.31 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1ie7 h GLN 7 CO 0.00 0.88 -0.13 -0.92 -2.65 0.00 0.00 178.83 176.02 1ie7 h TYR 8 N 0.52 -0.33 -0.37 3.99 5.03 -0.99 -1.19 116.97 123.63 1ie7 h TYR 8 Ca 0.06 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.28 1ie7 h TYR 8 Cb 0.85 0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.22 1ie7 h TYR 8 CO 0.04 -0.16 -0.09 0.00 -1.32 0.00 0.00 178.16 176.62 1ie7 h ALA 9 N 0.30 1.15 -0.36 1.82 0.00 -1.15 0.51 119.26 121.54 1ie7 h ALA 9 Ca -0.04 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1ie7 h ALA 9 Cb 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1ie7 h ALA 9 CO 0.06 0.54 0.05 0.93 0.00 0.00 0.00 179.25 180.83 1ie7 h GLU 10 N 0.59 0.16 0.00 0.00 5.08 -1.02 -1.00 114.58 118.39 1ie7 h GLU 10 Ca 0.11 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.24 1ie7 h GLU 10 Cb 0.50 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1ie7 h GLU 10 CO 0.03 0.11 -0.87 0.77 -1.00 0.00 0.00 179.01 178.05 1ie7 h SER 11 N 0.17 0.76 0.00 1.42 0.02 -0.76 -3.41 113.55 111.75 1ie7 h SER 11 Ca 0.17 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1ie7 h SER 11 Cb 0.21 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1ie7 h SER 11 CO -0.25 1.41 0.00 -1.22 -1.14 0.00 0.00 176.83 175.64 1ie7 n TYR 12 N -4.00 0.00 0.00 3.45 4.01 0.13 -4.97 117.16 115.78 1ie7 n TYR 12 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1ie7 n TYR 12 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 1ie7 n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ie7 n GLY 13 N 0.15 -0.34 3.70 2.72 0.00 -0.38 -4.50 105.19 106.53 1ie7 n GLY 13 Ca 0.00 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 1ie7 n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ie7 s PRO 14 N -2.60 1.33 0.37 1.61 0.04 -1.26 -4.05 135.00 130.43 1ie7 s PRO 14 Ca 0.00 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.33 1ie7 s PRO 14 Cb 0.00 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1ie7 s PRO 14 CO 0.00 -2.31 0.23 -0.08 0.04 0.00 0.00 177.00 174.88 1ie7 s THR 15 N -2.77 0.19 -0.19 1.26 -1.32 -1.26 -4.91 115.64 106.64 1ie7 s THR 15 Ca 0.64 -2.00 -0.42 0.00 -1.21 0.00 0.00 61.69 58.70 1ie7 s THR 15 Cb -0.20 -2.42 -0.19 0.00 -1.51 0.00 0.00 72.50 68.18 1ie7 s THR 15 CO 0.58 0.00 1.36 0.52 -2.21 0.00 0.00 174.62 174.86 1ie7 n VAL 16 N -0.76 0.03 0.00 5.08 0.31 -1.26 -1.08 118.33 120.65 1ie7 n VAL 16 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1ie7 n VAL 16 Cb 0.63 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1ie7 n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ie7 n GLY 17 N 2.76 2.97 3.77 2.92 0.00 -0.71 -4.99 105.19 111.91 1ie7 n GLY 17 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1ie7 n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ie7 s ASP 18 N 0.34 5.61 0.19 1.61 1.01 -0.24 -4.76 116.67 120.42 1ie7 s ASP 18 Ca 0.00 2.28 0.11 0.00 0.71 0.00 0.00 52.55 55.65 1ie7 s ASP 18 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1ie7 s ASP 18 CO 0.00 -1.30 -0.21 -1.61 0.21 0.00 0.00 175.17 172.26 1ie7 s GLU 19 N -3.20 1.65 -0.03 8.23 2.02 -1.26 -1.71 118.70 124.39 1ie7 s GLU 19 Ca 0.73 -1.45 0.01 0.00 0.02 0.00 0.00 54.97 54.28 1ie7 s GLU 19 Cb -0.27 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.05 1ie7 s GLU 19 CO 0.30 0.41 -0.05 0.08 0.02 0.00 0.00 175.26 176.02 1ie7 s VAL 20 N -1.65 0.53 0.22 2.63 1.01 -0.04 -4.96 120.40 118.14 1ie7 s VAL 20 Ca 0.21 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1ie7 s VAL 20 Cb -0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 1ie7 s VAL 20 CO 0.11 0.20 1.00 -0.60 0.00 0.00 0.00 175.10 175.81 1ie7 s ARG 21 N 0.56 4.75 -0.50 2.72 3.52 -1.26 -1.61 118.95 127.12 1ie7 s ARG 21 Ca -0.07 1.58 -0.25 0.00 -0.13 0.00 0.00 55.73 56.86 1ie7 s ARG 21 Cb -0.11 -3.28 0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1ie7 s ARG 21 CO 0.00 0.34 0.96 -0.51 -0.81 0.00 0.00 175.30 175.28 1ie7 s LEU 22 N -0.93 3.98 0.00 -0.88 1.43 -0.60 -4.73 118.68 116.96 1ie7 s LEU 22 Ca 0.44 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1ie7 s LEU 22 Cb -0.27 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1ie7 s LEU 22 CO 0.34 -1.16 0.00 0.00 0.23 0.00 0.00 176.35 175.76 1ie7 n ALA 23 N 7.40 0.00 -1.00 4.21 0.00 -0.18 -1.54 120.51 129.40 1ie7 n ALA 23 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1ie7 n ALA 23 Cb 0.48 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.26 1ie7 n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ie7 n ASP 24 N 1.46 4.80 -4.10 0.00 5.75 -1.26 -4.82 116.55 118.38 1ie7 n ASP 24 Ca 0.00 -3.07 -0.30 0.00 -0.01 0.00 0.00 54.79 51.41 1ie7 n ASP 24 Cb 0.00 -0.65 0.19 0.00 -1.03 0.00 0.00 41.12 39.63 1ie7 n ASP 24 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ie7 s THR 25 N -2.87 1.97 -2.08 2.12 -4.23 -0.59 -4.77 115.64 105.19 1ie7 s THR 25 Ca 0.50 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.16 1ie7 s THR 25 Cb 0.40 -2.96 0.38 0.00 1.34 0.00 0.00 72.50 71.66 1ie7 s THR 25 CO 0.12 0.00 1.36 0.47 -0.54 0.00 0.00 174.62 176.03 1ie7 n ASP 26 N -3.85 2.13 -4.75 3.99 9.92 -1.26 -4.68 116.55 118.05 1ie7 n ASP 26 Ca 0.15 -1.94 -0.39 0.00 -0.53 0.00 0.00 54.79 52.09 1ie7 n ASP 26 Cb 0.59 -0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 40.78 1ie7 n ASP 26 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ie7 s LEU 27 N -1.14 4.36 -0.09 0.64 1.43 -1.26 -5.02 118.68 117.61 1ie7 s LEU 27 Ca 0.29 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.50 1ie7 s LEU 27 Cb 0.15 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1ie7 s LEU 27 CO 0.21 0.05 -0.22 0.26 0.23 0.00 0.00 176.35 176.87 1ie7 s TRP 28 N 0.16 2.40 -0.02 0.29 0.52 -1.26 -1.55 118.94 119.47 1ie7 s TRP 28 Ca 0.31 -0.95 0.02 0.00 0.02 0.00 0.00 56.10 55.49 1ie7 s TRP 28 Cb -0.17 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1ie7 s TRP 28 CO 0.15 -0.38 -0.04 0.96 0.02 0.00 0.00 176.95 177.66 1ie7 s ILE 29 N 0.34 3.87 -0.09 2.03 -4.36 -0.63 0.46 121.20 122.81 1ie7 s ILE 29 Ca -0.17 -0.60 0.02 0.00 -0.26 0.00 0.00 60.65 59.64 1ie7 s ILE 29 Cb -0.17 -2.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 1ie7 s ILE 29 CO 0.08 0.46 -0.15 -0.70 0.24 0.00 0.00 174.94 174.87 1ie7 s GLU 30 N -1.25 2.99 -0.01 0.37 2.12 -1.26 -0.86 118.70 120.81 1ie7 s GLU 30 Ca 0.16 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1ie7 s GLU 30 Cb -0.11 -2.48 -0.07 0.00 0.26 0.00 0.00 34.13 31.73 1ie7 s GLU 30 CO 0.06 0.36 1.73 0.08 -0.54 0.00 0.00 175.26 176.96 1ie7 s VAL 31 N -0.06 3.36 -0.06 3.70 1.01 -0.69 -4.78 120.40 122.87 1ie7 s VAL 31 Ca -0.03 0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1ie7 s VAL 31 Cb -0.14 -3.33 -0.24 0.00 0.00 0.00 0.00 36.38 32.67 1ie7 s VAL 31 CO 0.04 -0.04 0.59 -0.33 0.00 0.00 0.00 175.10 175.36 1ie7 h GLU 32 N 9.58 0.11 -2.96 2.72 5.08 -1.41 -1.88 114.58 125.82 1ie7 h GLU 32 Ca -0.42 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 57.76 1ie7 h GLU 32 Cb 1.20 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 1ie7 h GLU 32 CO 0.95 0.80 0.23 -1.59 -1.00 0.00 0.00 179.01 178.40 1ie7 s LYS 33 N -2.59 1.41 -0.06 2.33 -2.85 -1.26 -4.87 119.74 111.85 1ie7 s LYS 33 Ca -0.11 -0.62 -0.03 0.00 -1.00 0.00 0.00 55.97 54.21 1ie7 s LYS 33 Cb 0.07 0.59 0.04 0.00 -2.06 0.00 0.00 37.83 36.47 1ie7 s LYS 33 CO 0.81 -0.63 0.13 0.34 0.10 0.00 0.00 175.35 176.10 1ie7 s ASP 34 N -2.79 0.21 0.00 0.03 -1.08 -1.26 -1.05 116.67 110.73 1ie7 s ASP 34 Ca 0.04 0.27 0.29 0.00 -0.52 0.00 0.00 52.55 52.64 1ie7 s ASP 34 Cb -0.02 0.17 1.35 0.00 -1.46 0.00 0.00 42.92 42.96 1ie7 s ASP 34 CO -0.07 -0.18 1.93 -1.22 0.52 0.00 0.00 175.17 176.15 1ie7 n TYR 35 N 4.57 0.00 -1.38 -5.34 4.02 -0.49 -4.94 117.16 113.61 1ie7 n TYR 35 Ca -0.20 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.41 1ie7 n TYR 35 Cb 0.51 -0.11 0.17 0.00 -0.02 0.00 0.00 39.34 39.89 1ie7 n TYR 35 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1ie7 s THR 36 N -2.29 1.94 -0.30 -0.72 -1.32 -1.26 -4.53 115.64 107.15 1ie7 s THR 36 Ca 0.35 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.83 1ie7 s THR 36 Cb 0.21 -2.65 0.07 0.00 -1.51 0.00 0.00 72.50 68.61 1ie7 s THR 36 CO 0.43 0.00 -0.01 -0.89 -2.21 0.00 0.00 174.62 171.94 1ie7 s THR 37 N -3.19 2.65 -0.02 5.08 2.01 -1.26 -5.08 115.64 115.82 1ie7 s THR 37 Ca 0.66 -1.67 -0.34 0.00 0.31 0.00 0.00 61.69 60.65 1ie7 s THR 37 Cb -0.14 -2.63 -0.13 0.00 0.01 0.00 0.00 72.50 69.62 1ie7 s THR 37 CO 0.55 -0.21 1.78 -1.22 -0.69 0.00 0.00 174.62 174.83 1ie7 n TYR 38 N 4.50 2.29 0.00 4.92 4.01 -1.26 -0.53 117.16 131.09 1ie7 n TYR 38 Ca -0.10 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ie7 n TYR 38 Cb 0.42 -2.62 0.00 0.00 -0.31 0.00 0.00 39.34 36.84 1ie7 n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ie7 n GLY 39 N 4.08 3.17 0.64 2.72 0.00 -1.26 -4.89 105.19 109.65 1ie7 n GLY 39 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1ie7 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ie7 n ASP 40 N 0.00 3.33 -4.62 1.61 8.00 0.31 -5.04 116.55 120.14 1ie7 n ASP 40 Ca 0.00 -3.08 -0.41 0.00 0.71 0.00 0.00 54.79 52.01 1ie7 n ASP 40 Cb 0.00 -0.51 0.02 0.00 -0.02 0.00 0.00 41.12 40.60 1ie7 n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ie7 n GLU 41 N -0.84 1.39 -3.41 -1.24 4.71 -1.23 -4.83 120.64 115.20 1ie7 n GLU 41 Ca 0.20 0.50 -0.35 0.00 -0.01 0.00 0.00 57.16 57.50 1ie7 n GLU 41 Cb 0.82 -2.11 -0.06 0.00 -1.01 0.00 0.00 31.44 29.08 1ie7 n GLU 41 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ie7 s VAL 42 N -1.29 4.92 0.09 2.62 1.01 -1.26 -4.91 120.40 121.58 1ie7 s VAL 42 Ca 0.64 0.74 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 1ie7 s VAL 42 Cb -0.53 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.19 1ie7 s VAL 42 CO 0.56 0.26 0.54 0.54 0.00 0.00 0.00 175.10 177.00 1ie7 s ASN 43 N -1.72 -0.47 0.07 3.32 4.22 -1.26 -4.71 114.94 114.38 1ie7 s ASN 43 Ca 0.36 0.07 0.06 0.00 -2.14 0.00 0.00 52.86 51.22 1ie7 s ASN 43 Cb -0.15 0.53 -0.03 0.00 1.28 0.00 0.00 41.25 42.89 1ie7 s ASN 43 CO 0.19 -0.83 -0.17 0.12 -2.04 0.00 0.00 177.10 174.37 1ie7 s PHE 44 N -3.06 1.45 -5.00 1.54 2.19 -1.26 -1.82 117.98 112.02 1ie7 s PHE 44 Ca -0.02 -0.41 0.00 0.00 0.33 0.00 0.00 56.93 56.83 1ie7 s PHE 44 Cb -0.00 -0.83 0.00 0.00 -1.31 0.00 0.00 43.02 40.88 1ie7 s PHE 44 CO -0.07 0.09 0.00 0.41 1.83 0.00 0.00 175.22 177.49 1ie7 n GLY 45 N 1.49 0.41 3.65 13.12 0.00 -1.26 -4.94 105.19 117.65 1ie7 n GLY 45 Ca -0.19 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1ie7 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ie7 s GLY 46 N 0.00 1.33 -0.61 -0.02 0.00 -1.26 -1.98 107.32 104.78 1ie7 s GLY 46 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1ie7 s GLY 46 CO 0.00 3.26 0.00 0.61 0.00 0.00 0.00 173.10 176.97 1ie7 n GLY 47 N 4.55 0.80 1.18 0.20 0.00 -1.26 -4.99 105.19 105.68 1ie7 n GLY 47 Ca 0.20 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1ie7 n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ie7 n LYS 48 N -2.37 0.48 0.08 1.61 5.02 -0.84 -5.04 118.16 117.10 1ie7 n LYS 48 Ca -0.06 -0.85 -0.09 0.00 -2.02 0.00 0.00 58.31 55.29 1ie7 n LYS 48 Cb 0.25 -0.18 -0.02 0.00 -0.02 0.00 0.00 35.03 35.05 1ie7 n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ie7 h VAL 49 N -0.37 1.50 -3.07 -0.18 2.07 -1.85 -3.40 116.25 110.95 1ie7 h VAL 49 Ca -0.10 -2.68 -0.78 0.00 0.82 0.00 0.00 66.70 63.97 1ie7 h VAL 49 Cb 0.37 2.51 -0.24 0.00 -1.52 0.00 0.00 31.29 32.41 1ie7 h VAL 49 CO 0.11 0.78 0.76 -0.76 0.02 0.00 0.00 177.57 178.48 1ie7 s LEU 50 N -7.39 5.89 0.04 2.57 1.43 -0.76 -0.25 118.68 120.22 1ie7 s LEU 50 Ca -0.03 -3.34 0.04 0.00 -1.03 0.00 0.00 54.13 49.77 1ie7 s LEU 50 Cb 0.10 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1ie7 s LEU 50 CO 0.83 -0.47 -0.11 -0.13 0.23 0.00 0.00 176.35 176.71 1ie7 s ARG 51 N -0.17 0.69 0.11 1.70 0.52 -1.26 -4.68 118.95 115.85 1ie7 s ARG 51 Ca 0.34 -0.73 -0.35 0.00 -0.52 0.00 0.00 55.73 54.47 1ie7 s ARG 51 Cb -0.07 -0.61 -0.14 0.00 0.52 0.00 0.00 34.95 34.64 1ie7 s ARG 51 CO -0.05 0.14 1.54 -1.91 0.02 0.00 0.00 175.30 175.04 1ie7 n GLU 52 N 1.72 1.86 -0.10 3.54 0.00 -1.26 -0.91 120.64 125.49 1ie7 n GLU 52 Ca -0.20 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.63 1ie7 n GLU 52 Cb 0.55 -2.41 0.00 0.00 0.00 0.00 0.00 31.44 29.58 1ie7 n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ie7 n GLY 53 N 3.28 1.73 0.00 8.31 0.00 0.01 -4.90 105.19 113.61 1ie7 n GLY 53 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ie7 n GLY 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ie7 n MET 54 N -2.00 0.00 0.12 1.61 2.81 -0.09 -4.90 117.12 114.67 1ie7 n MET 54 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 1ie7 n MET 54 Cb 0.00 0.00 0.45 0.00 -0.71 0.00 0.00 33.22 32.96 1ie7 n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ie7 n GLY 55 N 4.91 -1.48 3.61 3.03 0.00 0.66 -4.55 105.19 111.37 1ie7 n GLY 55 Ca 0.00 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1ie7 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ie7 s GLU 56 N -3.22 3.93 -0.07 1.61 2.12 -0.66 -2.81 118.70 119.61 1ie7 s GLU 56 Ca 0.07 -0.36 -0.27 0.00 0.36 0.00 0.00 54.97 54.77 1ie7 s GLU 56 Cb 0.11 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 1ie7 s GLU 56 CO 0.49 0.19 0.88 1.21 -0.54 0.00 0.00 175.26 177.49 1ie7 s ASN 57 N 0.59 7.17 -0.09 -1.70 3.84 0.30 -0.81 114.94 124.24 1ie7 s ASN 57 Ca 0.03 1.42 0.18 0.00 0.21 0.00 0.00 52.86 54.71 1ie7 s ASN 57 Cb -0.13 -2.50 0.66 0.00 -0.55 0.00 0.00 41.25 38.73 1ie7 s ASN 57 CO 0.01 -0.28 1.57 0.61 -2.79 0.00 0.00 177.10 176.22 1ie7 n GLY 58 N 3.09 2.79 0.16 1.21 0.00 -1.26 -3.97 105.19 107.20 1ie7 n GLY 58 Ca 0.04 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 1ie7 n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ie7 n THR 59 N 1.08 1.18 -2.85 2.61 -1.04 -1.26 -4.99 114.28 109.00 1ie7 n THR 59 Ca 0.24 -0.41 -0.41 0.00 -2.04 0.00 0.00 64.05 61.43 1ie7 n THR 59 Cb 0.80 -1.36 -0.05 0.00 -1.82 0.00 0.00 70.33 67.90 1ie7 n THR 59 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ie7 s TYR 60 N -2.41 3.76 1.00 -1.42 2.02 -1.26 -5.05 117.35 114.00 1ie7 s TYR 60 Ca -0.28 1.63 -0.12 0.00 -0.37 0.00 0.00 57.07 57.92 1ie7 s TYR 60 Cb 0.08 -2.95 0.19 0.00 -0.40 0.00 0.00 41.96 38.89 1ie7 s TYR 60 CO 0.45 0.21 1.09 0.95 -1.57 0.00 0.00 175.55 176.68 1ie7 s THR 61 N 0.09 2.09 0.22 -0.71 -4.23 -1.26 -4.57 115.64 107.27 1ie7 s THR 61 Ca 0.43 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.89 1ie7 s THR 61 Cb -0.22 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.30 1ie7 s THR 61 CO 0.26 -0.04 1.84 -0.09 -0.54 0.00 0.00 174.62 176.05 1ie7 h ARG 62 N -1.92 1.16 0.00 3.99 2.43 -1.96 -1.54 114.38 116.53 1ie7 h ARG 62 Ca -0.55 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 1ie7 h ARG 62 Cb 1.33 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1ie7 h ARG 62 CO 0.57 0.85 0.00 1.79 -1.51 0.00 0.00 179.97 181.67 1ie7 h THR 63 N 1.16 0.00 -1.19 0.20 1.35 -1.93 -3.13 112.91 109.36 1ie7 h THR 63 Ca 0.29 -0.30 -0.74 0.00 -0.55 0.00 0.00 66.41 65.10 1ie7 h THR 63 Cb 0.03 1.26 -0.13 0.00 -1.73 0.00 0.00 68.15 67.58 1ie7 h THR 63 CO -0.05 0.00 2.17 -0.62 -0.25 0.00 0.00 175.52 176.77 1ie7 n GLU 64 N -2.98 3.45 -1.34 4.72 1.02 -0.58 -4.57 120.64 120.36 1ie7 n GLU 64 Ca -0.01 -3.39 -0.12 0.00 -0.02 0.00 0.00 57.16 53.63 1ie7 n GLU 64 Cb 0.21 -3.01 -0.05 0.00 -0.02 0.00 0.00 31.44 28.57 1ie7 n GLU 64 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ie7 n ASN 65 N 4.53 -5.01 -4.86 1.62 3.02 -1.26 -4.77 115.26 108.54 1ie7 n ASN 65 Ca 0.42 0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.91 1ie7 n ASN 65 Cb 0.38 -3.55 -0.05 0.00 -0.61 0.00 0.00 39.78 35.95 1ie7 n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ie7 s VAL 66 N -2.24 5.06 0.35 2.41 1.01 -1.18 -2.11 120.40 123.69 1ie7 s VAL 66 Ca 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 1ie7 s VAL 66 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1ie7 s VAL 66 CO 0.00 0.29 0.68 -0.76 0.00 0.00 0.00 175.10 175.31 1ie7 s LEU 67 N -1.89 3.94 0.24 3.92 1.43 -0.17 -4.82 118.68 121.33 1ie7 s LEU 67 Ca 0.33 0.98 0.14 0.00 -1.03 0.00 0.00 54.13 54.55 1ie7 s LEU 67 Cb -0.14 -3.83 0.02 0.00 0.03 0.00 0.00 46.19 42.27 1ie7 s LEU 67 CO 0.18 -0.30 1.36 0.44 0.23 0.00 0.00 176.35 178.26 1ie7 h ASP 68 N 1.51 0.00 -3.37 2.29 3.32 -1.39 -3.13 116.42 115.65 1ie7 h ASP 68 Ca -0.47 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1ie7 h ASP 68 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 1ie7 h ASP 68 CO 0.65 0.56 -0.15 -0.22 -1.72 0.00 0.00 179.24 178.36 1ie7 s LEU 69 N -6.41 -0.32 -0.14 1.55 2.96 -0.90 -1.13 118.68 114.30 1ie7 s LEU 69 Ca 0.03 1.12 0.01 0.00 -0.22 0.00 0.00 54.13 55.07 1ie7 s LEU 69 Cb 0.08 1.78 -0.00 0.00 0.50 0.00 0.00 46.19 48.54 1ie7 s LEU 69 CO 0.76 -0.20 -0.17 -0.22 -1.32 0.00 0.00 176.35 175.20 1ie7 s LEU 70 N 1.14 2.45 -0.38 -0.68 2.96 -0.57 -1.16 118.68 122.45 1ie7 s LEU 70 Ca -0.07 -0.45 -0.16 0.00 -0.22 0.00 0.00 54.13 53.23 1ie7 s LEU 70 Cb -0.06 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.09 1ie7 s LEU 70 CO -0.11 0.12 0.40 -0.76 -1.32 0.00 0.00 176.35 174.69 1ie7 s LEU 71 N 0.60 4.64 0.26 -0.68 1.02 0.31 -1.15 118.68 123.67 1ie7 s LEU 71 Ca -0.10 -0.43 -0.23 0.00 0.02 0.00 0.00 54.13 53.40 1ie7 s LEU 71 Cb -0.16 -2.37 -0.09 0.00 0.02 0.00 0.00 46.19 43.59 1ie7 s LEU 71 CO 0.03 -0.46 0.82 0.42 0.02 0.00 0.00 176.35 177.18 1ie7 s THR 72 N 2.08 4.41 -1.45 5.49 -4.23 -0.17 -0.75 115.64 121.03 1ie7 s THR 72 Ca 0.12 1.52 -0.10 0.00 -1.18 0.00 0.00 61.69 62.06 1ie7 s THR 72 Cb -0.17 -3.94 0.05 0.00 1.34 0.00 0.00 72.50 69.79 1ie7 s THR 72 CO 0.13 0.20 0.98 0.59 -0.54 0.00 0.00 174.62 175.98 1ie7 n ASN 73 N 0.70 -4.43 -4.74 3.99 3.02 -1.25 -0.89 115.26 111.67 1ie7 n ASN 73 Ca -0.01 -0.73 -0.41 0.00 -0.03 0.00 0.00 54.58 53.40 1ie7 n ASN 73 Cb 0.51 -4.20 -0.05 0.00 -0.61 0.00 0.00 39.78 35.43 1ie7 n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ie7 s ALA 74 N -3.37 3.31 -0.65 5.41 0.00 -0.27 -3.27 121.76 122.92 1ie7 s ALA 74 Ca 0.51 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 1ie7 s ALA 74 Cb -0.25 -3.29 0.09 0.00 0.00 0.00 0.00 23.12 19.67 1ie7 s ALA 74 CO 0.80 -0.04 0.85 -1.17 0.00 0.00 0.00 175.76 176.20 1ie7 s LEU 75 N -0.37 4.95 0.01 0.00 2.96 -1.10 -1.69 118.68 123.43 1ie7 s LEU 75 Ca 0.46 -1.29 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 1ie7 s LEU 75 Cb -0.26 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1ie7 s LEU 75 CO 0.32 -1.25 0.92 -0.63 -1.32 0.00 0.00 176.35 174.39 1ie7 s ILE 76 N 3.26 4.82 -0.23 6.68 1.01 0.14 0.22 121.20 137.09 1ie7 s ILE 76 Ca 0.17 1.95 0.02 0.00 0.00 0.00 0.00 60.65 62.80 1ie7 s ILE 76 Cb -0.20 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.05 1ie7 s ILE 76 CO 0.07 0.21 -0.13 -0.22 0.00 0.00 0.00 174.94 174.87 1ie7 s LEU 77 N 0.73 2.88 0.22 2.97 2.96 -0.66 -1.78 118.68 126.00 1ie7 s LEU 77 Ca 0.48 -1.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.10 1ie7 s LEU 77 Cb -0.21 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.04 1ie7 s LEU 77 CO 0.27 -0.13 0.59 -0.62 -1.32 0.00 0.00 176.35 175.13 1ie7 s ASP 78 N 1.21 -0.27 0.48 3.68 2.15 -0.65 -4.51 116.67 118.75 1ie7 s ASP 78 Ca -0.04 -0.52 0.22 0.00 0.43 0.00 0.00 52.55 52.64 1ie7 s ASP 78 Cb -0.17 0.63 1.23 0.00 -0.30 0.00 0.00 42.92 44.31 1ie7 s ASP 78 CO -0.08 -1.15 2.01 0.10 -0.17 0.00 0.00 175.17 175.89 1ie7 h TYR 79 N 2.12 0.00 0.00 -5.34 -0.00 -1.92 -2.05 116.97 109.79 1ie7 h TYR 79 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.47 1ie7 h TYR 79 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 1ie7 h TYR 79 CO 0.37 0.17 0.00 0.25 -0.00 0.00 0.00 178.16 178.95 1ie7 n THR 80 N -3.85 0.52 0.00 -0.90 -2.24 -1.26 -4.98 114.28 101.56 1ie7 n THR 80 Ca -0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ie7 n THR 80 Cb 0.27 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1ie7 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ie7 n GLY 81 N 0.96 2.65 3.07 3.38 0.00 -0.77 -5.06 105.19 109.42 1ie7 n GLY 81 Ca 0.05 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 1ie7 n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ie7 s ILE 82 N -2.00 2.63 0.23 -0.61 1.01 -1.26 -1.64 121.20 119.56 1ie7 s ILE 82 Ca 0.00 -2.04 -0.18 0.00 0.00 0.00 0.00 60.65 58.43 1ie7 s ILE 82 Cb 0.00 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.70 1ie7 s ILE 82 CO 0.00 -0.48 0.58 -0.72 0.00 0.00 0.00 174.94 174.32 1ie7 s TYR 83 N 1.04 -0.09 -0.14 3.97 1.13 -0.73 -0.97 117.35 121.55 1ie7 s TYR 83 Ca 0.05 -0.28 -0.06 0.00 -1.41 0.00 0.00 57.07 55.37 1ie7 s TYR 83 Cb -0.20 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.08 1ie7 s TYR 83 CO -0.06 -1.02 0.09 0.21 -2.51 0.00 0.00 175.55 172.27 1ie7 s LYS 84 N -3.90 3.58 0.08 -3.49 2.47 -0.21 -0.69 119.74 117.59 1ie7 s LYS 84 Ca 0.11 -0.26 -0.27 0.00 -1.56 0.00 0.00 55.97 54.00 1ie7 s LYS 84 Cb -0.02 -3.14 0.08 0.00 -1.46 0.00 0.00 37.83 33.29 1ie7 s LYS 84 CO 0.01 0.57 0.93 0.00 0.16 0.00 0.00 175.35 177.02 1ie7 s ALA 85 N -0.45 -1.73 0.28 3.13 0.00 -0.68 -1.39 121.76 120.91 1ie7 s ALA 85 Ca 0.11 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.44 1ie7 s ALA 85 Cb -0.12 0.55 -0.08 0.00 0.00 0.00 0.00 23.12 23.46 1ie7 s ALA 85 CO 0.02 -0.89 0.69 -0.51 0.00 0.00 0.00 175.76 175.07 1ie7 s ASP 86 N -2.74 6.80 -0.14 0.00 1.01 0.25 -1.11 116.67 120.73 1ie7 s ASP 86 Ca 0.09 1.23 0.02 0.00 0.71 0.00 0.00 52.55 54.60 1ie7 s ASP 86 Cb -0.01 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1ie7 s ASP 86 CO -0.03 -0.13 -0.21 -0.63 0.21 0.00 0.00 175.17 174.38 1ie7 s ILE 87 N -1.85 2.03 -0.12 0.77 1.01 0.08 -1.52 121.20 121.59 1ie7 s ILE 87 Ca 0.50 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1ie7 s ILE 87 Cb -0.12 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1ie7 s ILE 87 CO 0.19 0.54 -0.07 -0.83 0.00 0.00 0.00 174.94 174.77 1ie7 s GLY 88 N 0.86 1.67 0.03 6.18 0.00 0.69 -0.53 107.32 116.21 1ie7 s GLY 88 Ca -0.06 -0.86 0.08 0.00 0.00 0.00 0.00 44.72 43.88 1ie7 s GLY 88 CO -0.03 -0.31 -0.25 0.14 0.00 0.00 0.00 173.10 172.66 1ie7 s VAL 89 N -0.05 2.00 -0.21 1.40 1.01 -0.31 -0.68 120.40 123.56 1ie7 s VAL 89 Ca -0.00 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.56 1ie7 s VAL 89 Cb -0.13 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.61 1ie7 s VAL 89 CO 0.03 0.40 0.54 -0.75 0.00 0.00 0.00 175.10 175.32 1ie7 s LYS 90 N -1.02 0.60 -1.48 2.72 2.20 -0.40 -1.21 119.74 121.14 1ie7 s LYS 90 Ca 0.10 0.85 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 1ie7 s LYS 90 Cb -0.10 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1ie7 s LYS 90 CO 0.01 -0.11 0.00 -0.25 -0.36 0.00 0.00 175.35 174.64 1ie7 n ASP 91 N 3.37 -4.89 0.00 1.43 8.00 -1.26 -1.79 116.55 121.41 1ie7 n ASP 91 Ca -0.17 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1ie7 n ASP 91 Cb 0.56 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 1ie7 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ie7 n GLY 92 N -0.84 0.87 3.60 0.44 0.00 -1.26 -5.02 105.19 102.97 1ie7 n GLY 92 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1ie7 n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ie7 s TYR 93 N -3.44 2.62 -0.13 1.61 1.51 -0.74 -1.25 117.35 117.52 1ie7 s TYR 93 Ca 0.00 -0.24 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 1ie7 s TYR 93 Cb 0.00 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1ie7 s TYR 93 CO 0.00 0.61 1.15 0.42 -1.11 0.00 0.00 175.55 176.62 1ie7 s ILE 94 N -2.18 4.44 -0.16 2.71 1.01 0.91 -1.28 121.20 126.66 1ie7 s ILE 94 Ca 0.29 1.74 0.08 0.00 0.00 0.00 0.00 60.65 62.76 1ie7 s ILE 94 Cb -0.07 -4.12 -0.11 0.00 0.01 0.00 0.00 42.46 38.17 1ie7 s ILE 94 CO 0.18 -0.07 0.24 1.33 0.00 0.00 0.00 174.94 176.62 1ie7 n VAL 95 N 4.94 0.00 -3.67 2.92 0.24 0.14 -0.54 118.33 122.36 1ie7 n VAL 95 Ca 0.12 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 1ie7 n VAL 95 Cb 0.46 0.59 -0.09 0.00 -1.47 0.00 0.00 33.84 33.34 1ie7 n VAL 95 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ie7 s GLY 96 N -2.44 -0.49 -0.26 7.63 0.00 -1.05 -4.80 107.32 105.91 1ie7 s GLY 96 Ca -0.01 1.99 0.00 0.00 0.00 0.00 0.00 44.72 46.71 1ie7 s GLY 96 CO 0.33 2.05 -0.08 -0.42 0.00 0.00 0.00 173.10 174.98 1ie7 s ILE 97 N 1.51 2.52 0.00 0.90 1.01 -1.26 -0.22 121.20 125.66 1ie7 s ILE 97 Ca -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.21 1ie7 s ILE 97 Cb -0.07 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1ie7 s ILE 97 CO -0.16 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1ie7 n GLY 98 N 4.56 -0.32 2.79 6.18 0.00 -0.58 -4.98 105.19 112.85 1ie7 n GLY 98 Ca -0.15 0.50 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 1ie7 n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ie7 s LYS 99 N 0.00 0.89 0.42 1.61 2.36 -1.26 -0.59 119.74 123.18 1ie7 s LYS 99 Ca 0.00 -0.44 -0.13 0.00 -2.55 0.00 0.00 55.97 52.85 1ie7 s LYS 99 Cb 0.00 -2.01 -0.07 0.00 -1.05 0.00 0.00 37.83 34.70 1ie7 s LYS 99 CO 0.00 -0.56 0.82 0.20 1.55 0.00 0.00 175.35 177.36 1ie7 s GLY 100 N 1.78 2.03 0.00 5.54 0.00 -1.26 -1.12 107.32 114.29 1ie7 s GLY 100 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1ie7 s GLY 100 CO -0.07 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.78 1ie7 n GLY 101 N -1.24 0.24 2.87 0.20 0.00 -0.84 -4.66 105.19 101.75 1ie7 n GLY 101 Ca 0.04 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 1ie7 n GLY 101 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ie7 s ASN 102 N -4.00 2.84 0.46 1.61 2.47 -1.12 -1.84 114.94 115.36 1ie7 s ASN 102 Ca 0.00 -0.68 0.31 0.00 0.42 0.00 0.00 52.86 52.91 1ie7 s ASN 102 Cb 0.00 -0.87 1.54 0.00 -1.45 0.00 0.00 41.25 40.46 1ie7 s ASN 102 CO 0.00 -0.20 1.95 1.55 -3.72 0.00 0.00 177.10 176.68 1ie7 h PRO 103 N 8.13 0.00 -0.58 0.43 0.13 -1.92 -0.39 132.00 137.80 1ie7 h PRO 103 Ca -0.23 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.02 1ie7 h PRO 103 Cb 1.11 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.13 1ie7 h PRO 103 CO 0.39 0.00 -0.17 -0.44 -0.23 0.00 0.00 178.00 177.55 1ie7 h ASP 104 N 0.00 -0.63 0.00 1.44 3.32 -1.94 -3.36 116.42 115.26 1ie7 h ASP 104 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ie7 h ASP 104 Cb 0.20 0.39 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1ie7 h ASP 104 CO 0.00 -0.21 0.00 2.30 -1.72 0.00 0.00 179.24 179.61 1ie7 n ILE 105 N -5.42 0.00 -4.34 0.35 -5.35 -1.02 -5.07 119.36 98.51 1ie7 n ILE 105 Ca 0.06 -0.29 -0.31 0.00 -0.27 0.00 0.00 62.75 61.94 1ie7 n ILE 105 Cb 0.32 1.14 -0.10 0.00 -1.74 0.00 0.00 39.64 39.26 1ie7 n ILE 105 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1ie7 s MET 106 N -0.39 2.43 0.39 6.28 -1.94 -0.19 -5.08 119.30 120.80 1ie7 s MET 106 Ca 0.00 -0.83 -0.18 0.00 -1.71 0.00 0.00 55.69 52.97 1ie7 s MET 106 Cb 0.00 -2.45 -0.10 0.00 2.01 0.00 0.00 34.83 34.29 1ie7 s MET 106 CO 0.00 0.57 0.86 -0.51 -0.01 0.00 0.00 175.02 175.93 1ie7 s ASP 107 N -1.78 6.87 -1.41 3.03 1.01 -1.26 -4.40 116.67 118.73 1ie7 s ASP 107 Ca 0.20 1.52 0.00 0.00 0.71 0.00 0.00 52.55 54.98 1ie7 s ASP 107 Cb -0.11 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1ie7 s ASP 107 CO 0.11 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.80 1ie7 n GLY 108 N -0.53 0.11 3.67 0.21 0.00 -1.26 -4.76 105.19 102.63 1ie7 n GLY 108 Ca 0.06 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1ie7 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ie7 s VAL 109 N -2.74 4.64 0.13 1.61 1.01 -1.26 -4.58 120.40 119.21 1ie7 s VAL 109 Ca 0.00 1.97 -0.34 0.00 0.00 0.00 0.00 61.98 63.60 1ie7 s VAL 109 Cb 0.00 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 1ie7 s VAL 109 CO 0.00 -0.13 1.56 0.41 0.00 0.00 0.00 175.10 176.94 1ie7 n THR 110 N 5.13 0.04 0.28 3.92 -1.04 -0.27 -4.86 114.28 117.48 1ie7 n THR 110 Ca 0.11 -0.01 0.14 0.00 -2.04 0.00 0.00 64.05 62.25 1ie7 n THR 110 Cb 0.46 -1.44 0.81 0.00 -1.82 0.00 0.00 70.33 68.35 1ie7 n THR 110 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1ie7 h PRO 111 N 5.94 0.00 -0.55 -2.82 0.11 -1.94 -0.01 132.00 132.73 1ie7 h PRO 111 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1ie7 h PRO 111 Cb 1.27 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1ie7 h PRO 111 CO 0.87 0.06 0.14 0.27 -0.21 0.00 0.00 178.00 179.14 1ie7 n ASN 112 N -3.78 4.19 -2.26 -2.05 6.94 -1.26 -4.46 115.26 112.59 1ie7 n ASN 112 Ca -0.02 -3.27 -0.26 0.00 -0.02 0.00 0.00 54.58 51.01 1ie7 n ASN 112 Cb 0.16 -0.68 0.01 0.00 -2.36 0.00 0.00 39.78 36.91 1ie7 n ASN 112 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1ie7 n MET 113 N -0.42 3.52 -2.74 -3.83 2.81 -0.02 -4.62 117.12 111.81 1ie7 n MET 113 Ca 0.35 -4.33 -0.42 0.00 -1.81 0.00 0.00 57.70 51.49 1ie7 n MET 113 Cb 1.20 -2.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 1ie7 n MET 113 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1ie7 s ILE 114 N -5.07 4.87 -0.20 2.02 1.01 -0.90 -1.99 121.20 120.95 1ie7 s ILE 114 Ca 0.50 1.99 -0.26 0.00 0.00 0.00 0.00 60.65 62.87 1ie7 s ILE 114 Cb 0.41 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1ie7 s ILE 114 CO -0.08 0.14 0.89 -0.69 0.00 0.00 0.00 174.94 175.21 1ie7 s VAL 115 N 1.16 4.81 0.00 2.92 1.01 -0.76 -1.00 120.40 128.54 1ie7 s VAL 115 Ca 0.50 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.21 1ie7 s VAL 115 Cb -0.20 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1ie7 s VAL 115 CO 0.25 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1ie7 n GLY 116 N 3.50 5.59 0.33 4.51 0.00 -1.26 -0.54 105.19 117.31 1ie7 n GLY 116 Ca 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1ie7 n GLY 116 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ie7 h THR 117 N 0.13 1.19 0.00 2.61 2.02 -1.81 -2.60 112.91 114.46 1ie7 h THR 117 Ca 0.00 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1ie7 h THR 117 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1ie7 h THR 117 CO 0.00 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.10 1ie7 n ALA 118 N -2.44 2.44 -2.57 6.16 0.00 -1.26 -4.88 120.51 117.96 1ie7 n ALA 118 Ca 0.06 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1ie7 n ALA 118 Cb 0.10 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 1ie7 n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ie7 s THR 119 N -2.21 5.05 0.10 0.00 2.01 -0.98 -4.50 115.64 115.11 1ie7 s THR 119 Ca 0.35 0.96 0.01 0.00 0.31 0.00 0.00 61.69 63.33 1ie7 s THR 119 Cb 0.18 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1ie7 s THR 119 CO 0.35 0.45 0.23 -0.70 -0.69 0.00 0.00 174.62 174.26 1ie7 s GLU 120 N -0.26 3.38 -0.07 4.92 2.56 -0.28 -4.86 118.70 124.09 1ie7 s GLU 120 Ca 0.26 -0.54 0.05 0.00 0.00 0.00 0.00 54.97 54.74 1ie7 s GLU 120 Cb -0.16 -2.97 -0.01 0.00 2.00 0.00 0.00 34.13 32.99 1ie7 s GLU 120 CO 0.13 0.56 -0.24 0.08 -0.56 0.00 0.00 175.26 175.24 1ie7 s VAL 121 N -1.61 1.99 -0.19 3.70 1.01 -1.26 -1.51 120.40 122.53 1ie7 s VAL 121 Ca 0.34 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1ie7 s VAL 121 Cb -0.12 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 1ie7 s VAL 121 CO 0.28 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 175.19 1ie7 s ILE 122 N 0.06 2.90 -0.17 2.22 1.01 -0.30 -4.97 121.20 121.94 1ie7 s ILE 122 Ca -0.10 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1ie7 s ILE 122 Cb -0.15 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1ie7 s ILE 122 CO 0.06 0.48 1.12 0.00 0.00 0.00 0.00 174.94 176.59 1ie7 s ALA 123 N 1.24 3.62 -1.22 9.38 0.00 -1.26 -1.00 121.76 132.51 1ie7 s ALA 123 Ca 0.03 0.34 0.11 0.00 0.00 0.00 0.00 51.96 52.44 1ie7 s ALA 123 Cb -0.14 -3.55 0.20 0.00 0.00 0.00 0.00 23.12 19.63 1ie7 s ALA 123 CO -0.05 -0.99 1.06 0.00 0.00 0.00 0.00 175.76 175.77 1ie7 n ALA 124 N 6.10 2.34 -1.68 0.00 0.00 -0.07 -4.88 120.51 122.33 1ie7 n ALA 124 Ca 0.12 -0.86 -0.46 0.00 0.00 0.00 0.00 53.44 52.24 1ie7 n ALA 124 Cb 0.46 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 1ie7 n ALA 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ie7 n GLU 125 N 0.61 2.36 -0.61 0.00 0.00 -0.91 -0.67 120.64 121.42 1ie7 n GLU 125 Ca 0.09 0.86 0.00 0.00 0.00 0.00 0.00 57.16 58.11 1ie7 n GLU 125 Cb 0.36 -2.71 0.00 0.00 0.00 0.00 0.00 31.44 29.09 1ie7 n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ie7 n GLY 126 N 4.19 0.74 3.69 -1.84 0.00 -1.26 -4.78 105.19 105.93 1ie7 n GLY 126 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1ie7 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ie7 s LYS 127 N -0.39 2.48 -0.19 1.61 -0.14 0.15 -4.41 119.74 118.86 1ie7 s LYS 127 Ca 0.00 -1.17 -0.09 0.00 -1.36 0.00 0.00 55.97 53.35 1ie7 s LYS 127 Cb 0.00 -2.35 -0.05 0.00 -1.68 0.00 0.00 37.83 33.75 1ie7 s LYS 127 CO 0.00 0.42 0.10 0.42 -0.76 0.00 0.00 175.35 175.54 1ie7 s ILE 128 N -1.96 5.18 -0.19 2.17 1.01 -0.09 -2.72 121.20 124.60 1ie7 s ILE 128 Ca 0.30 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 61.02 1ie7 s ILE 128 Cb -0.08 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 1ie7 s ILE 128 CO 0.20 0.46 -0.07 -0.69 0.00 0.00 0.00 174.94 174.85 1ie7 s VAL 129 N 0.23 3.31 0.30 2.92 1.01 0.13 -0.69 120.40 127.61 1ie7 s VAL 129 Ca 0.07 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1ie7 s VAL 129 Cb -0.12 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1ie7 s VAL 129 CO -0.01 0.46 -0.03 0.42 0.00 0.00 0.00 175.10 175.95 1ie7 s THR 130 N 1.04 1.56 0.98 3.92 -4.23 -0.76 -1.66 115.64 116.50 1ie7 s THR 130 Ca 0.00 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.32 1ie7 s THR 130 Cb -0.15 -2.56 0.18 0.00 1.34 0.00 0.00 72.50 71.32 1ie7 s THR 130 CO -0.01 -0.22 1.12 0.00 -0.54 0.00 0.00 174.62 174.98 1ie7 s ALA 131 N -3.06 0.99 0.50 3.99 0.00 -1.26 -0.77 121.76 122.14 1ie7 s ALA 131 Ca 0.31 0.43 -0.20 0.00 0.00 0.00 0.00 51.96 52.50 1ie7 s ALA 131 Cb 0.05 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 1ie7 s ALA 131 CO 0.13 -3.04 1.08 0.20 0.00 0.00 0.00 175.76 174.13 1ie7 s GLY 132 N -2.62 2.59 0.54 0.00 0.00 -1.03 -4.58 107.32 102.23 1ie7 s GLY 132 Ca 0.67 0.71 -0.19 0.00 0.00 0.00 0.00 44.72 45.92 1ie7 s GLY 132 CO 0.60 1.06 1.09 -0.32 0.00 0.00 0.00 173.10 175.53 1ie7 s GLY 133 N -1.83 2.50 -0.33 0.20 0.00 0.37 -4.65 107.32 103.59 1ie7 s GLY 133 Ca 0.68 0.69 0.01 0.00 0.00 0.00 0.00 44.72 46.10 1ie7 s GLY 133 CO 0.24 1.03 0.03 -0.42 0.00 0.00 0.00 173.10 173.98 1ie7 s ILE 134 N -1.96 2.58 -0.35 0.90 -1.09 0.66 -0.72 121.20 121.21 1ie7 s ILE 134 Ca 0.70 -1.94 -0.15 0.00 -2.23 0.00 0.00 60.65 57.02 1ie7 s ILE 134 Cb -0.21 -2.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 1ie7 s ILE 134 CO 0.28 -0.39 0.34 -0.62 -1.23 0.00 0.00 174.94 173.32 1ie7 s ASP 135 N 1.19 6.15 -0.11 3.58 2.15 -0.19 -4.77 116.67 124.68 1ie7 s ASP 135 Ca 0.03 -0.32 0.16 0.00 0.43 0.00 0.00 52.55 52.85 1ie7 s ASP 135 Cb -0.20 -2.19 0.60 0.00 -0.30 0.00 0.00 42.92 40.83 1ie7 s ASP 135 CO -0.05 -0.34 1.51 0.35 -0.17 0.00 0.00 175.17 176.47 1ie7 n THR 136 N 5.22 1.78 -3.18 1.71 -2.24 -1.26 0.32 114.28 116.64 1ie7 n THR 136 Ca -0.10 -1.31 -0.22 0.00 -2.27 0.00 0.00 64.05 60.15 1ie7 n THR 136 Cb 0.49 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1ie7 n THR 136 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ie7 n HIS 137 N 0.64 1.05 -3.98 4.78 -0.00 -1.14 -4.51 115.22 112.06 1ie7 n HIS 137 Ca 0.22 -3.81 -0.35 0.00 -0.00 0.00 0.00 57.72 53.79 1ie7 n HIS 137 Cb 0.80 -0.43 -0.09 0.00 -0.00 0.00 0.00 29.99 30.27 1ie7 n HIS 137 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1ie7 s VAL 138 N -2.36 4.85 -0.25 3.57 1.01 -0.40 -0.98 120.40 125.84 1ie7 s VAL 138 Ca 0.40 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1ie7 s VAL 138 Cb 0.26 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1ie7 s VAL 138 CO -0.09 0.46 0.36 -1.00 0.00 0.00 0.00 175.10 174.83 1ie7 s HIS 139 N 0.35 3.28 -0.87 5.22 3.76 -1.16 -1.53 115.29 124.33 1ie7 s HIS 139 Ca 0.04 0.43 -0.23 0.00 -0.15 0.00 0.00 55.06 55.15 1ie7 s HIS 139 Cb -0.12 -2.53 0.07 0.00 1.11 0.00 0.00 32.58 31.11 1ie7 s HIS 139 CO -0.00 -0.15 1.24 -0.06 -0.85 0.00 0.00 174.74 174.92 1ie7 s PHE 140 N 1.81 2.65 0.00 1.40 0.08 -0.15 -4.66 117.98 119.12 1ie7 s PHE 140 Ca 0.15 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1ie7 s PHE 140 Cb -0.15 -4.51 0.00 0.00 -0.57 0.00 0.00 43.02 37.79 1ie7 s PHE 140 CO 0.09 -1.80 0.00 0.44 -0.10 0.00 0.00 175.22 173.85 1ie7 n ILE 141 N 6.26 0.00 -3.47 0.64 -6.64 -1.26 -0.81 119.36 114.08 1ie7 n ILE 141 Ca 0.18 0.00 -0.12 0.00 -1.77 0.00 0.00 62.75 61.03 1ie7 n ILE 141 Cb 0.49 -0.16 -0.10 0.00 -1.44 0.00 0.00 39.64 38.42 1ie7 n ILE 141 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1ie7 s ASN 142 N -2.00 0.55 0.66 7.28 3.84 -1.26 -2.96 114.94 121.05 1ie7 s ASN 142 Ca 0.00 0.22 0.38 0.00 0.21 0.00 0.00 52.86 53.67 1ie7 s ASN 142 Cb 0.00 0.86 2.08 0.00 -0.55 0.00 0.00 41.25 43.64 1ie7 s ASN 142 CO 0.00 -0.29 2.19 -0.65 -2.79 0.00 0.00 177.10 175.55 1ie7 h PRO 143 N 8.24 0.00 0.00 0.43 0.11 -1.98 -0.09 132.00 138.71 1ie7 h PRO 143 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1ie7 h PRO 143 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ie7 h PRO 143 CO 0.24 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.59 1ie7 h ASP 144 N 0.00 0.00 0.09 -2.05 3.32 -2.04 -2.40 116.42 113.34 1ie7 h ASP 144 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ie7 h ASP 144 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ie7 h ASP 144 CO -0.00 0.00 -0.05 0.06 -1.72 0.00 0.00 179.24 177.53 1ie7 h GLN 145 N 0.00 0.00 -0.30 3.56 3.07 -1.44 -3.24 115.11 116.76 1ie7 h GLN 145 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 1ie7 h GLN 145 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 1ie7 h GLN 145 CO 0.00 0.05 -0.00 0.28 0.09 0.00 0.00 178.83 179.25 1ie7 h VAL 146 N 0.00 1.26 -0.49 1.86 2.07 -1.64 -2.36 116.25 116.95 1ie7 h VAL 146 Ca -0.00 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1ie7 h VAL 146 Cb 0.11 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1ie7 h VAL 146 CO 0.01 0.31 0.08 0.44 0.02 0.00 0.00 177.57 178.42 1ie7 h ASP 147 N 0.33 0.72 -0.63 0.57 3.32 -1.79 -0.56 116.42 118.39 1ie7 h ASP 147 Ca 0.09 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.05 1ie7 h ASP 147 Cb 0.44 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1ie7 h ASP 147 CO 0.02 0.74 0.34 0.58 -1.72 0.00 0.00 179.24 179.19 1ie7 h VAL 148 N 0.73 0.95 -0.11 -1.35 2.07 -1.60 -0.34 116.25 116.60 1ie7 h VAL 148 Ca 0.16 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1ie7 h VAL 148 Cb 0.33 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1ie7 h VAL 148 CO 0.01 0.11 -0.16 0.00 0.02 0.00 0.00 177.57 177.55 1ie7 h ALA 149 N 1.33 0.17 -0.80 1.67 0.00 -0.78 -3.12 119.26 117.73 1ie7 h ALA 149 Ca 0.28 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1ie7 h ALA 149 Cb 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1ie7 h ALA 149 CO -0.18 0.08 0.52 -0.07 0.00 0.00 0.00 179.25 179.59 1ie7 h LEU 150 N -0.11 0.71 -1.65 0.00 3.38 -0.96 -1.72 115.31 114.97 1ie7 h LEU 150 Ca 0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1ie7 h LEU 150 Cb 0.72 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ie7 h LEU 150 CO 0.04 0.44 -0.18 0.00 0.09 0.00 0.00 178.44 178.83 1ie7 h ALA 151 N 1.58 1.26 -0.49 1.53 0.00 -1.00 -1.03 119.26 121.10 1ie7 h ALA 151 Ca 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ie7 h ALA 151 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ie7 h ALA 151 CO -0.13 0.23 0.01 -1.71 0.00 0.00 0.00 179.25 177.64 1ie7 n ASN 152 N -3.68 5.15 0.00 0.00 4.05 -0.93 -1.92 115.26 117.93 1ie7 n ASN 152 Ca -0.01 -2.98 0.00 0.00 0.45 0.00 0.00 54.58 52.03 1ie7 n ASN 152 Cb 0.30 -0.65 0.00 0.00 1.23 0.00 0.00 39.78 40.66 1ie7 n ASN 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ie7 n GLY 153 N 0.24 0.60 3.75 8.20 0.00 -0.39 -4.65 105.19 112.93 1ie7 n GLY 153 Ca 0.27 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1ie7 n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ie7 s ILE 154 N -2.00 5.36 0.00 -0.61 1.01 -0.69 -0.47 121.20 123.79 1ie7 s ILE 154 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1ie7 s ILE 154 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1ie7 s ILE 154 CO 0.00 0.44 0.13 0.35 0.00 0.00 0.00 174.94 175.86 1ie7 n THR 155 N 3.36 0.00 -3.93 2.92 -2.24 0.10 -3.71 114.28 110.78 1ie7 n THR 155 Ca -0.14 -0.43 -0.18 0.00 -2.27 0.00 0.00 64.05 61.03 1ie7 n THR 155 Cb 0.52 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.63 1ie7 n THR 155 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ie7 s THR 156 N -0.59 0.22 -0.20 4.28 2.01 -0.91 -1.15 115.64 119.30 1ie7 s THR 156 Ca 0.00 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 1ie7 s THR 156 Cb 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.19 1ie7 s THR 156 CO 0.00 0.17 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.22 1ie7 s LEU 157 N 1.17 2.53 -0.14 4.42 1.43 0.11 -1.03 118.68 127.17 1ie7 s LEU 157 Ca -0.08 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1ie7 s LEU 157 Cb -0.13 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1ie7 s LEU 157 CO -0.02 -0.02 -0.10 -0.36 0.23 0.00 0.00 176.35 176.08 1ie7 s PHE 158 N 1.38 2.87 -1.68 0.29 0.40 0.15 -1.50 117.98 119.89 1ie7 s PHE 158 Ca 0.05 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1ie7 s PHE 158 Cb -0.14 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.52 1ie7 s PHE 158 CO -0.08 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.09 1ie7 n GLY 159 N 3.51 -0.69 3.83 4.36 0.00 -0.91 -1.28 105.19 114.02 1ie7 n GLY 159 Ca -0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.36 1ie7 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ie7 s GLY 160 N 0.00 0.06 0.00 -0.02 0.00 -0.58 0.37 107.32 107.14 1ie7 s GLY 160 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1ie7 s GLY 160 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.54 1ie7 n GLY 161 N -0.47 4.48 0.20 0.20 0.00 -0.83 -0.98 105.19 107.79 1ie7 n GLY 161 Ca -0.05 -1.42 0.08 0.00 0.00 0.00 0.00 46.02 44.64 1ie7 n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ie7 n THR 162 N -1.98 1.72 0.00 2.61 -2.24 -1.20 -4.71 114.28 108.48 1ie7 n THR 162 Ca 0.00 -2.15 0.00 0.00 -2.27 0.00 0.00 64.05 59.63 1ie7 n THR 162 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1ie7 n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ie7 n GLY 163 N -1.23 -0.80 1.96 3.38 0.00 0.00 -4.80 105.19 103.70 1ie7 n GLY 163 Ca 0.15 -2.16 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 1ie7 n GLY 163 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ie7 n PRO 164 N 0.00 1.76 -3.07 1.61 -0.04 -1.16 -4.46 135.00 129.65 1ie7 n PRO 164 Ca 0.00 -0.81 -0.33 0.00 -0.04 0.00 0.00 63.50 62.32 1ie7 n PRO 164 Cb 0.00 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 1ie7 n PRO 164 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ie7 s ALA 165 N 0.97 3.26 0.47 0.55 0.00 -1.26 -4.93 121.76 120.82 1ie7 s ALA 165 Ca 0.54 0.11 0.15 0.00 0.00 0.00 0.00 51.96 52.76 1ie7 s ALA 165 Cb 0.26 -2.84 1.07 0.00 0.00 0.00 0.00 23.12 21.61 1ie7 s ALA 165 CO 0.00 0.29 2.03 0.93 0.00 0.00 0.00 175.76 179.01 1ie7 h GLU 166 N 2.16 0.00 -0.53 0.00 3.07 -1.98 -0.79 114.58 116.50 1ie7 h GLU 166 Ca -0.48 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.26 1ie7 h GLU 166 Cb 1.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 1ie7 h GLU 166 CO 0.64 0.14 -0.13 0.78 -1.40 0.00 0.00 179.01 179.04 1ie7 h GLY 167 N 0.41 1.11 1.62 -3.84 0.00 -1.94 -1.28 103.07 99.15 1ie7 h GLY 167 Ca -0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 47.33 46.22 1ie7 h GLY 167 CO 0.02 0.83 -0.82 1.76 0.00 0.00 0.00 176.54 178.33 1ie7 h SER 168 N 0.91 0.44 0.50 0.19 0.02 -1.57 0.17 113.55 114.21 1ie7 h SER 168 Ca 0.14 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1ie7 h SER 168 Cb 0.70 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1ie7 h SER 168 CO 0.05 1.09 -0.20 0.11 -1.14 0.00 0.00 176.83 176.74 1ie7 h LYS 169 N 0.22 0.00 0.04 3.45 1.57 -0.96 -3.15 116.57 117.75 1ie7 h LYS 169 Ca -0.05 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.39 1ie7 h LYS 169 Cb 1.42 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.69 1ie7 h LYS 169 CO 0.14 0.20 -2.04 0.00 -0.57 0.00 0.00 179.45 177.18 1ie7 n ALA 170 N -2.31 1.28 -2.90 3.86 0.00 -0.50 -4.57 120.51 115.36 1ie7 n ALA 170 Ca -0.01 -0.85 -0.15 0.00 0.00 0.00 0.00 53.44 52.42 1ie7 n ALA 170 Cb 0.32 -0.56 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 1ie7 n ALA 170 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ie7 s THR 171 N -2.55 0.32 -1.14 0.00 -4.23 0.04 -5.03 115.64 103.05 1ie7 s THR 171 Ca -0.17 -0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.01 1ie7 s THR 171 Cb 0.07 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.57 1ie7 s THR 171 CO 0.77 0.10 2.02 0.35 -0.54 0.00 0.00 174.62 177.32 1ie7 n THR 172 N 3.13 2.70 -4.00 3.99 -2.24 -1.26 -4.28 114.28 112.31 1ie7 n THR 172 Ca -0.15 -2.47 -0.17 0.00 -2.27 0.00 0.00 64.05 59.00 1ie7 n THR 172 Cb 0.57 -2.42 -0.16 0.00 -2.10 0.00 0.00 70.33 66.23 1ie7 n THR 172 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ie7 s VAL 173 N 4.91 0.25 -0.34 2.28 1.01 -1.24 -3.63 120.40 123.63 1ie7 s VAL 173 Ca 0.54 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1ie7 s VAL 173 Cb 0.11 -0.31 0.09 0.00 0.00 0.00 0.00 36.38 36.27 1ie7 s VAL 173 CO 0.04 0.15 0.06 -0.89 0.00 0.00 0.00 175.10 174.46 1ie7 s THR 174 N 0.80 2.56 -0.03 3.92 2.01 0.29 -1.96 115.64 123.22 1ie7 s THR 174 Ca -0.08 -2.13 -0.30 0.00 0.31 0.00 0.00 61.69 59.49 1ie7 s THR 174 Cb -0.12 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1ie7 s THR 174 CO -0.01 -0.52 1.05 -2.16 -0.69 0.00 0.00 174.62 172.29 1ie7 s PRO 175 N 1.01 4.47 0.00 4.92 0.04 -1.26 -4.08 135.00 140.09 1ie7 s PRO 175 Ca 0.07 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1ie7 s PRO 175 Cb -0.20 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1ie7 s PRO 175 CO -0.06 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1ie7 n GLY 176 N 3.07 -1.44 0.22 0.56 0.00 -1.26 -3.86 105.19 102.47 1ie7 n GLY 176 Ca 0.08 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 1ie7 n GLY 176 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ie7 h PRO 177 N 0.00 0.70 -0.17 1.61 0.11 -1.91 -2.06 132.00 130.28 1ie7 h PRO 177 Ca 0.00 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 1ie7 h PRO 177 Cb 0.00 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 1ie7 h PRO 177 CO 0.00 0.51 -0.16 2.35 -0.21 0.00 0.00 178.00 180.49 1ie7 h TRP 178 N 0.69 0.48 -0.91 0.65 7.01 -1.98 -0.82 115.95 121.06 1ie7 h TRP 178 Ca 0.18 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1ie7 h TRP 178 Cb -0.01 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 26.91 1ie7 h TRP 178 CO -0.03 0.77 0.56 -0.91 -2.79 0.00 0.00 178.44 176.05 1ie7 h ASN 179 N 0.05 1.08 -0.15 2.65 2.35 -1.66 -0.54 115.58 119.37 1ie7 h ASN 179 Ca 0.03 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1ie7 h ASN 179 Cb 0.69 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1ie7 h ASN 179 CO 0.04 0.82 0.02 0.40 -1.65 0.00 0.00 177.43 177.06 1ie7 h ILE 180 N 1.25 1.23 -0.88 2.81 2.04 -1.29 -1.64 117.51 121.02 1ie7 h ILE 180 Ca 0.33 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1ie7 h ILE 180 Cb -0.07 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1ie7 h ILE 180 CO -0.06 0.22 0.58 -0.33 0.00 0.00 0.00 178.15 178.55 1ie7 h GLU 181 N 0.03 1.13 -0.27 2.37 5.08 -0.59 0.21 114.58 122.53 1ie7 h GLU 181 Ca 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ie7 h GLU 181 Cb 0.31 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1ie7 h GLU 181 CO 0.00 0.75 0.17 0.87 -1.00 0.00 0.00 179.01 179.80 1ie7 h LYS 182 N 1.16 0.36 -0.08 2.33 1.79 -0.90 -1.93 116.57 119.31 1ie7 h LYS 182 Ca 0.33 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.66 1ie7 h LYS 182 Cb -0.09 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1ie7 h LYS 182 CO -0.09 0.27 -0.47 0.52 -1.08 0.00 0.00 179.45 178.60 1ie7 h MET 183 N 0.35 0.20 -0.85 3.15 2.86 -1.03 -0.38 114.93 119.23 1ie7 h MET 183 Ca 0.10 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1ie7 h MET 183 Cb -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1ie7 h MET 183 CO -0.02 0.63 0.45 -0.07 1.06 0.00 0.00 176.91 178.97 1ie7 h LEU 184 N 0.16 1.07 -0.66 1.22 3.38 -0.77 -0.75 115.31 118.96 1ie7 h LEU 184 Ca 0.01 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1ie7 h LEU 184 Cb 0.90 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1ie7 h LEU 184 CO 0.07 0.87 -0.19 0.11 0.09 0.00 0.00 178.44 179.39 1ie7 h LYS 185 N 1.19 0.85 -0.89 1.13 1.57 -0.87 -3.01 116.57 116.54 1ie7 h LYS 185 Ca 0.30 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1ie7 h LYS 185 Cb 0.05 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1ie7 h LYS 185 CO -0.05 0.97 0.47 1.03 -0.57 0.00 0.00 179.45 181.31 1ie7 h SER 186 N 0.75 1.12 0.00 0.86 0.87 -0.84 -2.79 113.55 113.52 1ie7 h SER 186 Ca 0.11 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ie7 h SER 186 Cb 0.72 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1ie7 h SER 186 CO 0.06 0.91 -0.00 0.74 -0.53 0.00 0.00 176.83 178.00 1ie7 h THR 187 N 1.25 0.40 -0.29 2.23 2.02 -1.00 -1.15 112.91 116.37 1ie7 h THR 187 Ca 0.31 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 67.57 1ie7 h THR 187 Cb 0.05 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1ie7 h THR 187 CO -0.05 0.00 0.29 -0.33 0.37 0.00 0.00 175.52 175.80 1ie7 h GLU 188 N 0.00 0.00 -0.64 6.66 4.39 -1.50 -1.11 114.58 122.37 1ie7 h GLU 188 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ie7 h GLU 188 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ie7 h GLU 188 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ie7 n GLY 189 N -1.47 2.65 3.59 -3.84 0.00 -0.44 -4.78 105.19 100.90 1ie7 n GLY 189 Ca 0.04 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1ie7 n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ie7 s LEU 190 N -1.25 3.77 -1.38 0.99 1.43 -0.42 -4.99 118.68 116.82 1ie7 s LEU 190 Ca 0.45 0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 1ie7 s LEU 190 Cb 0.25 -1.98 0.09 0.00 0.03 0.00 0.00 46.19 44.58 1ie7 s LEU 190 CO 0.28 0.10 2.28 -0.81 0.23 0.00 0.00 176.35 178.42 1ie7 n PRO 191 N 4.06 3.82 -3.48 1.29 -0.04 -1.26 -4.79 135.00 134.60 1ie7 n PRO 191 Ca -0.16 -3.13 -0.11 0.00 -0.04 0.00 0.00 63.50 60.06 1ie7 n PRO 191 Cb 0.52 -2.87 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1ie7 n PRO 191 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ie7 s ILE 192 N 0.65 0.00 0.44 0.52 2.07 -1.26 -5.04 121.20 118.59 1ie7 s ILE 192 Ca 0.50 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.52 1ie7 s ILE 192 Cb 0.15 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.64 1ie7 s ILE 192 CO -0.05 0.00 1.02 0.20 -1.91 0.00 0.00 174.94 174.20 1ie7 s ASN 193 N -2.36 6.64 0.01 4.50 0.01 -0.30 -4.63 114.94 118.81 1ie7 s ASN 193 Ca 0.01 1.92 -0.00 0.00 -0.71 0.00 0.00 52.86 54.08 1ie7 s ASN 193 Cb -0.01 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1ie7 s ASN 193 CO -0.08 -0.57 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.24 1ie7 s VAL 194 N -1.89 0.06 -0.03 1.60 1.01 -0.47 -0.71 120.40 119.97 1ie7 s VAL 194 Ca 0.62 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1ie7 s VAL 194 Cb -0.17 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1ie7 s VAL 194 CO 0.21 -0.26 -0.05 -0.83 0.00 0.00 0.00 175.10 174.17 1ie7 s GLY 195 N -0.75 0.40 -0.13 4.51 0.00 -0.56 -1.11 107.32 109.67 1ie7 s GLY 195 Ca -0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.46 1ie7 s GLY 195 CO -0.00 0.17 0.02 -0.42 0.00 0.00 0.00 173.10 172.86 1ie7 s ILE 196 N 0.49 4.43 -0.15 0.90 1.01 -1.26 -2.14 121.20 124.48 1ie7 s ILE 196 Ca -0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 1ie7 s ILE 196 Cb -0.10 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1ie7 s ILE 196 CO 0.00 0.54 0.14 -0.76 0.00 0.00 0.00 174.94 174.86 1ie7 s LEU 197 N -0.24 4.33 0.77 2.97 1.43 0.16 -0.21 118.68 127.89 1ie7 s LEU 197 Ca 0.06 0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1ie7 s LEU 197 Cb -0.12 -2.09 0.14 0.00 0.03 0.00 0.00 46.19 44.15 1ie7 s LEU 197 CO 0.02 0.33 1.06 -0.83 0.23 0.00 0.00 176.35 177.16 1ie7 s GLY 198 N -0.54 1.76 -0.17 -3.19 0.00 -0.27 -0.55 107.32 104.36 1ie7 s GLY 198 Ca 0.13 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 1ie7 s GLY 198 CO 0.02 -0.95 1.16 1.25 0.00 0.00 0.00 173.10 174.58 1ie7 s LYS 199 N -5.31 4.27 -1.14 2.90 2.20 -1.26 -4.54 119.74 116.86 1ie7 s LYS 199 Ca 0.67 1.54 -0.05 0.00 -0.36 0.00 0.00 55.97 57.78 1ie7 s LYS 199 Cb -0.05 -3.68 0.13 0.00 -1.51 0.00 0.00 37.83 32.72 1ie7 s LYS 199 CO 0.46 -0.62 2.39 0.41 -0.36 0.00 0.00 175.35 177.63 1ie7 n GLY 200 N 3.45 5.17 2.84 5.54 0.00 -1.26 -4.86 105.19 116.08 1ie7 n GLY 200 Ca 0.13 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1ie7 n GLY 200 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ie7 s HIS 201 N -1.63 0.14 0.00 1.61 4.02 -1.26 -4.47 115.29 113.70 1ie7 s HIS 201 Ca 0.53 0.03 0.00 0.00 1.02 0.00 0.00 55.06 56.64 1ie7 s HIS 201 Cb 0.22 -0.20 0.00 0.00 -1.02 0.00 0.00 32.58 31.58 1ie7 s HIS 201 CO -0.13 -0.06 0.00 0.41 1.02 0.00 0.00 174.74 175.99 1ie7 n GLY 202 N 3.64 3.76 0.31 -2.22 0.00 -1.26 -4.73 105.19 104.69 1ie7 n GLY 202 Ca -0.20 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.76 1ie7 n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ie7 n SER 203 N 0.00 1.69 -4.36 1.61 3.41 -1.26 -3.85 113.62 110.86 1ie7 n SER 203 Ca 0.00 -1.36 -0.29 0.00 -0.26 0.00 0.00 58.87 56.96 1ie7 n SER 203 Cb 0.00 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 1ie7 n SER 203 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ie7 s SER 204 N -0.65 3.18 0.19 4.04 0.01 -1.26 -5.02 113.70 114.19 1ie7 s SER 204 Ca 0.09 -0.64 -0.08 0.00 1.31 0.00 0.00 55.95 56.63 1ie7 s SER 204 Cb 0.06 -0.26 0.10 0.00 0.21 0.00 0.00 66.02 66.13 1ie7 s SER 204 CO 0.09 0.22 1.63 0.40 0.41 0.00 0.00 173.24 176.00 1ie7 h ILE 205 N 4.11 1.27 -0.12 1.44 1.08 -1.93 -3.38 117.51 119.97 1ie7 h ILE 205 Ca -0.48 -1.22 0.01 0.00 -0.39 0.00 0.00 64.86 62.78 1ie7 h ILE 205 Cb 1.15 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 1ie7 h ILE 205 CO 0.42 0.43 0.03 0.00 -0.69 0.00 0.00 178.15 178.35 1ie7 h ALA 206 N 1.00 0.12 -0.70 1.87 0.00 -1.98 -0.88 119.26 118.70 1ie7 h ALA 206 Ca 0.15 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1ie7 h ALA 206 Cb 0.63 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1ie7 h ALA 206 CO 0.04 -0.42 0.47 -1.35 0.00 0.00 0.00 179.25 177.99 1ie7 h PRO 207 N 0.09 0.51 0.03 0.00 0.11 -1.97 -0.53 132.00 130.23 1ie7 h PRO 207 Ca 0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1ie7 h PRO 207 Cb 0.03 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1ie7 h PRO 207 CO -0.06 0.34 -0.02 0.82 -0.21 0.00 0.00 178.00 178.88 1ie7 h ILE 208 N 0.52 1.31 -0.46 4.15 2.04 -1.57 -3.34 117.51 120.16 1ie7 h ILE 208 Ca 0.33 -1.76 0.06 0.00 1.00 0.00 0.00 64.86 64.49 1ie7 h ILE 208 Cb 0.58 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 1ie7 h ILE 208 CO -0.11 0.41 0.31 -0.03 0.00 0.00 0.00 178.15 178.73 1ie7 h MET 209 N -0.90 0.35 0.00 2.37 4.05 -1.06 -1.99 114.93 117.75 1ie7 h MET 209 Ca -0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1ie7 h MET 209 Cb 0.70 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1ie7 h MET 209 CO 0.01 0.23 0.00 1.05 0.23 0.00 0.00 176.91 178.43 1ie7 h GLU 210 N 0.36 0.00 0.01 0.39 4.11 -1.22 -0.78 114.58 117.46 1ie7 h GLU 210 Ca 0.20 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.41 1ie7 h GLU 210 Cb 0.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.61 1ie7 h GLU 210 CO -0.05 0.00 -0.87 1.96 0.07 0.00 0.00 179.01 180.12 1ie7 h GLN 211 N 0.00 0.58 -0.38 1.06 4.20 -1.53 -2.03 115.11 117.02 1ie7 h GLN 211 Ca 0.00 -0.63 -0.02 0.00 0.06 0.00 0.00 58.65 58.05 1ie7 h GLN 211 Cb 0.30 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1ie7 h GLN 211 CO 0.00 1.24 0.15 0.82 -0.67 0.00 0.00 178.83 180.37 1ie7 h ILE 212 N 0.18 1.19 0.00 2.54 1.08 -1.19 -1.89 117.51 119.43 1ie7 h ILE 212 Ca -0.11 -0.60 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 1ie7 h ILE 212 Cb 1.55 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 1ie7 h ILE 212 CO 0.17 0.21 -0.17 0.44 -0.69 0.00 0.00 178.15 178.12 1ie7 h ASP 213 N 0.46 0.00 1.37 1.72 3.32 -1.43 -2.26 116.42 119.60 1ie7 h ASP 213 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1ie7 h ASP 213 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ie7 h ASP 213 CO -0.01 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 1ie7 n ALA 214 N -2.35 2.17 0.00 3.45 0.00 -0.76 -4.09 120.51 118.92 1ie7 n ALA 214 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ie7 n ALA 214 Cb 0.27 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1ie7 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ie7 n GLY 215 N 1.08 0.23 3.72 0.00 0.00 -0.85 -4.64 105.19 104.72 1ie7 n GLY 215 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1ie7 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ie7 s ALA 216 N -0.92 2.17 -1.38 4.61 0.00 -0.74 -4.32 121.76 121.19 1ie7 s ALA 216 Ca 0.00 0.94 0.14 0.00 0.00 0.00 0.00 51.96 53.04 1ie7 s ALA 216 Cb 0.00 -3.49 0.31 0.00 0.00 0.00 0.00 23.12 19.94 1ie7 s ALA 216 CO 0.00 -1.82 1.22 0.00 0.00 0.00 0.00 175.76 175.16 1ie7 n ALA 217 N -2.56 2.30 0.00 0.00 0.00 0.71 -2.66 120.51 118.30 1ie7 n ALA 217 Ca 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1ie7 n ALA 217 Cb 0.50 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1ie7 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ie7 n GLY 218 N 0.81 -1.80 0.00 0.00 0.00 -1.22 -4.24 105.19 98.74 1ie7 n GLY 218 Ca 0.13 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ie7 n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ie7 n LEU 219 N 0.00 0.00 -3.65 0.99 4.77 -0.03 -1.12 117.00 117.96 1ie7 n LEU 219 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1ie7 n LEU 219 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1ie7 n LEU 219 CO 0.00 0.00 0.23 -0.63 -1.33 0.00 0.00 177.39 175.66 1ie7 s ILE 221 N 1.27 -0.53 -0.01 -0.08 1.01 0.29 -0.51 121.20 122.64 1ie7 s ILE 221 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1ie7 s ILE 221 Cb 0.00 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1ie7 s ILE 221 CO 0.00 0.02 -0.10 -2.28 0.00 0.00 0.00 174.94 172.58 1ie7 s HIS 222 N 2.31 0.86 0.46 3.97 2.46 -1.26 -1.06 115.29 123.04 1ie7 s HIS 222 Ca -0.07 -0.17 0.34 0.00 0.47 0.00 0.00 55.06 55.63 1ie7 s HIS 222 Cb -0.09 -0.55 1.78 0.00 -0.13 0.00 0.00 32.58 33.58 1ie7 s HIS 222 CO -0.18 -0.01 2.17 1.05 -2.47 0.00 0.00 174.74 175.30 1ie7 h GLU 223 N 5.86 0.00 0.00 2.88 4.11 -1.64 -0.64 114.58 125.15 1ie7 h GLU 223 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1ie7 h GLU 223 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ie7 h GLU 223 CO 0.49 0.05 0.00 -0.44 0.07 0.00 0.00 179.01 179.18 1ie7 h ASP 224 N 0.00 0.00 -0.39 3.06 5.19 -1.94 -1.05 116.42 121.29 1ie7 h ASP 224 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ie7 h ASP 224 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1ie7 h ASP 224 CO 0.01 0.00 0.00 0.79 -3.12 0.00 0.00 179.24 176.92 1ie7 n TRP 225 N -2.78 0.51 0.00 4.55 7.02 -0.26 -5.01 117.44 121.47 1ie7 n TRP 225 Ca 0.01 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.20 1ie7 n TRP 225 Cb 0.26 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 1ie7 n TRP 225 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ie7 n GLY 226 N 1.34 0.40 2.42 6.99 0.00 -0.40 -4.95 105.19 111.00 1ie7 n GLY 226 Ca 0.18 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1ie7 n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ie7 n ALA 227 N 0.00 6.88 -2.07 4.61 0.00 -1.25 -4.72 120.51 123.96 1ie7 n ALA 227 Ca 0.00 -3.67 -0.27 0.00 0.00 0.00 0.00 53.44 49.51 1ie7 n ALA 227 Cb 0.00 -2.76 0.03 0.00 0.00 0.00 0.00 19.45 16.73 1ie7 n ALA 227 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ie7 s THR 228 N -0.56 3.57 0.41 0.00 -4.23 -1.26 -4.47 115.64 109.10 1ie7 s THR 228 Ca 0.59 -0.01 0.15 0.00 -1.18 0.00 0.00 61.69 61.24 1ie7 s THR 228 Cb 0.23 -3.43 0.36 0.00 1.34 0.00 0.00 72.50 71.00 1ie7 s THR 228 CO -0.10 -0.44 1.88 -0.65 -0.54 0.00 0.00 174.62 174.77 1ie7 h PRO 229 N -0.20 0.45 -0.02 3.99 0.11 -1.92 -1.40 132.00 133.01 1ie7 h PRO 229 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1ie7 h PRO 229 Cb 1.26 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1ie7 h PRO 229 CO 0.61 0.30 -0.36 0.00 -0.21 0.00 0.00 178.00 178.34 1ie7 h ALA 230 N 1.62 0.08 -0.56 -0.75 0.00 -1.93 -0.85 119.26 116.86 1ie7 h ALA 230 Ca 0.42 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ie7 h ALA 230 Cb 0.95 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1ie7 h ALA 230 CO -0.16 0.18 0.34 0.77 0.00 0.00 0.00 179.25 180.39 1ie7 h SER 231 N -0.29 0.57 0.00 0.00 0.02 -1.57 0.59 113.55 112.87 1ie7 h SER 231 Ca -0.04 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1ie7 h SER 231 Cb 1.06 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 1ie7 h SER 231 CO 0.07 0.40 -0.24 0.40 -1.14 0.00 0.00 176.83 176.32 1ie7 h ILE 232 N 0.69 0.44 -0.48 3.27 2.04 -1.26 -1.98 117.51 120.23 1ie7 h ILE 232 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1ie7 h ILE 232 Cb 0.00 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1ie7 h ILE 232 CO -0.09 0.00 0.22 -0.78 0.00 0.00 0.00 178.15 177.50 1ie7 h ASP 233 N -0.38 0.65 -0.42 1.72 3.58 -0.69 -2.12 116.42 118.75 1ie7 h ASP 233 Ca 0.06 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 1ie7 h ASP 233 Cb 0.46 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1ie7 h ASP 233 CO -0.22 0.61 -0.01 0.03 -2.88 0.00 0.00 179.24 176.77 1ie7 h ARG 234 N 0.64 0.75 -0.67 0.28 2.47 -0.90 -0.90 114.38 116.06 1ie7 h ARG 234 Ca 0.16 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1ie7 h ARG 234 Cb 0.15 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1ie7 h ARG 234 CO -0.02 0.84 0.43 0.77 0.56 0.00 0.00 179.97 182.55 1ie7 h SER 235 N 0.59 0.78 0.44 7.04 0.02 -1.29 -0.04 113.55 121.09 1ie7 h SER 235 Ca 0.12 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 1ie7 h SER 235 Cb 0.50 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1ie7 h SER 235 CO 0.02 0.58 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.65 1ie7 h LEU 236 N 0.91 0.16 -0.42 5.07 3.38 -1.07 0.71 115.31 124.05 1ie7 h LEU 236 Ca 0.24 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1ie7 h LEU 236 Cb -0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1ie7 h LEU 236 CO -0.05 0.70 0.09 0.74 0.09 0.00 0.00 178.44 180.01 1ie7 h THR 237 N 0.11 1.23 -0.35 0.22 2.02 -0.90 -0.76 112.91 114.48 1ie7 h THR 237 Ca -0.00 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1ie7 h THR 237 Cb 1.05 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1ie7 h THR 237 CO 0.08 0.29 0.20 0.58 0.37 0.00 0.00 175.52 177.04 1ie7 h VAL 238 N 0.54 1.14 -0.44 3.16 2.07 -0.77 -2.70 116.25 119.24 1ie7 h VAL 238 Ca 0.13 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1ie7 h VAL 238 Cb 0.33 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1ie7 h VAL 238 CO 0.00 0.14 0.25 0.00 0.02 0.00 0.00 177.57 177.98 1ie7 h ALA 239 N 1.06 0.56 -0.18 1.67 0.00 -0.63 -0.38 119.26 121.37 1ie7 h ALA 239 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ie7 h ALA 239 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ie7 h ALA 239 CO -0.02 0.07 0.06 -0.44 0.00 0.00 0.00 179.25 178.92 1ie7 h ASP 240 N 0.58 0.22 0.41 0.00 3.32 -1.09 0.22 116.42 120.07 1ie7 h ASP 240 Ca 0.16 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.92 1ie7 h ASP 240 Cb 0.03 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ie7 h ASP 240 CO -0.03 0.21 -1.16 -0.08 -1.72 0.00 0.00 179.24 176.46 1ie7 h GLU 241 N 0.25 0.40 0.00 3.56 4.81 -1.07 -3.34 114.58 119.19 1ie7 h GLU 241 Ca 0.06 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1ie7 h GLU 241 Cb 0.08 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1ie7 h GLU 241 CO -0.01 1.23 -0.69 0.00 -0.73 0.00 0.00 179.01 178.81 1ie7 n ALA 242 N -2.58 2.98 -3.34 2.92 0.00 -0.21 -4.98 120.51 115.30 1ie7 n ALA 242 Ca -0.09 -0.27 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 1ie7 n ALA 242 Cb 0.96 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 19.35 1ie7 n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ie7 n ASP 243 N -2.10 -2.60 -4.37 0.00 2.03 0.05 -4.57 116.55 104.99 1ie7 n ASP 243 Ca 0.03 -0.60 -0.19 0.00 0.52 0.00 0.00 54.79 54.55 1ie7 n ASP 243 Cb 0.44 -4.92 -0.10 0.00 -0.72 0.00 0.00 41.12 35.82 1ie7 n ASP 243 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ie7 s VAL 244 N -3.35 1.34 0.29 5.18 -7.23 -1.12 -4.23 120.40 111.28 1ie7 s VAL 244 Ca 0.06 -2.08 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 1ie7 s VAL 244 Cb -0.01 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 1ie7 s VAL 244 CO 0.70 -0.35 0.60 -1.58 -0.31 0.00 0.00 175.10 174.15 1ie7 s GLN 245 N -3.79 3.73 -0.14 4.82 2.00 -1.26 -4.71 119.66 120.32 1ie7 s GLN 245 Ca 0.28 0.21 -0.00 0.00 -2.00 0.00 0.00 55.36 53.84 1ie7 s GLN 245 Cb 0.04 -2.59 -0.01 0.00 0.80 0.00 0.00 33.01 31.25 1ie7 s GLN 245 CO 0.09 0.21 -0.13 0.08 -0.50 0.00 0.00 175.29 175.04 1ie7 s VAL 246 N -2.03 3.05 0.07 1.34 1.01 -1.26 -0.85 120.40 121.73 1ie7 s VAL 246 Ca 0.47 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1ie7 s VAL 246 Cb -0.11 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1ie7 s VAL 246 CO 0.26 0.52 0.11 0.00 0.00 0.00 0.00 175.10 175.99 1ie7 s ALA 247 N 0.46 3.66 -0.01 5.51 0.00 0.34 -0.18 121.76 131.53 1ie7 s ALA 247 Ca -0.09 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1ie7 s ALA 247 Cb -0.16 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 1ie7 s ALA 247 CO 0.05 0.77 -0.09 -1.50 0.00 0.00 0.00 175.76 174.99 1ie7 s ILE 248 N -1.41 0.70 -0.46 0.00 2.07 -0.04 -0.55 121.20 121.50 1ie7 s ILE 248 Ca 0.30 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 1ie7 s ILE 248 Cb -0.12 -0.59 0.12 0.00 0.13 0.00 0.00 42.46 42.00 1ie7 s ILE 248 CO 0.23 0.20 0.23 -2.28 -1.91 0.00 0.00 174.94 171.41 1ie7 s HIS 249 N -0.13 3.52 0.99 3.50 5.65 -0.22 -1.87 115.29 126.73 1ie7 s HIS 249 Ca 0.02 -2.78 -0.14 0.00 0.25 0.00 0.00 55.06 52.41 1ie7 s HIS 249 Cb -0.04 -3.07 0.18 0.00 -1.18 0.00 0.00 32.58 28.47 1ie7 s HIS 249 CO -0.00 -0.89 1.14 -1.54 -0.65 0.00 0.00 174.74 172.79 1ie7 s SER 250 N 0.93 2.77 -0.85 9.88 1.04 -1.26 -2.05 113.70 124.15 1ie7 s SER 250 Ca 0.13 0.88 -0.25 0.00 0.48 0.00 0.00 55.95 57.19 1ie7 s SER 250 Cb -0.22 -1.37 -0.06 0.00 0.10 0.00 0.00 66.02 64.48 1ie7 s SER 250 CO -0.04 -3.01 2.01 -0.62 0.98 0.00 0.00 173.24 172.56 1ie7 s ASP 251 N -3.95 4.98 0.27 7.02 -1.08 -1.26 -3.64 116.67 119.00 1ie7 s ASP 251 Ca 0.66 -0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 52.22 1ie7 s ASP 251 Cb -0.14 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.26 1ie7 s ASP 251 CO 0.55 -2.86 1.83 0.74 0.52 0.00 0.00 175.17 175.94 1ie7 h THR 252 N 7.29 0.93 0.00 1.71 2.02 -1.91 -1.95 112.91 121.00 1ie7 h THR 252 Ca 0.05 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1ie7 h THR 252 Cb 1.02 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1ie7 h THR 252 CO 1.18 0.17 0.00 0.18 0.37 0.00 0.00 175.52 177.42 1ie7 n LEU 253 N -4.65 0.00 -2.67 2.58 4.32 -1.26 -1.77 117.00 113.54 1ie7 n LEU 253 Ca 0.17 0.48 -0.19 0.00 -0.02 0.00 0.00 56.01 56.45 1ie7 n LEU 253 Cb 0.31 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1ie7 n LEU 253 CO 0.27 -0.24 -0.15 0.59 -1.22 0.00 0.00 177.39 176.65 1ie7 n ASN 254 N -1.48 -5.21 0.02 -1.43 3.02 -0.74 -4.88 115.26 104.56 1ie7 n ASN 254 Ca 0.04 -0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.39 1ie7 n ASN 254 Cb 0.17 -4.32 -0.08 0.00 -0.61 0.00 0.00 39.78 34.94 1ie7 n ASN 254 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ie7 h GLU 255 N -0.46 -0.03 -0.01 3.52 4.81 -1.91 -3.18 114.58 117.33 1ie7 h GLU 255 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1ie7 h GLU 255 Cb 1.32 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1ie7 h GLU 255 CO 0.51 0.21 -0.49 0.00 -0.73 0.00 0.00 179.01 178.51 1ie7 n ALA 256 N -2.22 3.53 -3.56 2.92 0.00 -1.26 -5.05 120.51 114.87 1ie7 n ALA 256 Ca -0.08 -0.54 0.04 0.00 0.00 0.00 0.00 53.44 52.86 1ie7 n ALA 256 Cb 0.14 -0.62 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ie7 n ALA 256 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ie7 s GLY 257 N -2.20 -0.49 0.56 0.00 0.00 -1.20 -4.94 107.32 99.05 1ie7 s GLY 257 Ca 0.12 0.97 0.09 0.00 0.00 0.00 0.00 44.72 45.90 1ie7 s GLY 257 CO 0.51 0.18 0.70 -1.36 0.00 0.00 0.00 173.10 173.14 1ie7 s PHE 258 N -2.05 1.50 0.25 1.90 0.08 -1.26 -4.27 117.98 114.12 1ie7 s PHE 258 Ca 0.15 -0.74 -0.06 0.00 0.12 0.00 0.00 56.93 56.40 1ie7 s PHE 258 Cb 0.07 -2.15 0.46 0.00 -0.57 0.00 0.00 43.02 40.83 1ie7 s PHE 258 CO -0.07 -0.99 1.65 1.25 -0.10 0.00 0.00 175.22 176.97 1ie7 h LEU 259 N 0.32 -0.23 -2.13 -0.37 5.85 -1.93 0.12 115.31 116.93 1ie7 h LEU 259 Ca -0.32 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1ie7 h LEU 259 Cb 1.29 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 1ie7 h LEU 259 CO 0.44 -0.14 0.07 1.05 -0.34 0.00 0.00 178.44 179.52 1ie7 h GLU 260 N 0.15 0.00 -0.29 1.25 9.09 -1.99 -1.00 114.58 121.79 1ie7 h GLU 260 Ca 0.42 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.64 1ie7 h GLU 260 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1ie7 h GLU 260 CO -0.62 0.00 -0.55 -0.44 0.05 0.00 0.00 179.01 177.45 1ie7 h ASP 261 N 0.00 0.97 -0.61 3.06 3.32 -1.34 -1.41 116.42 120.41 1ie7 h ASP 261 Ca 0.04 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1ie7 h ASP 261 Cb 0.17 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1ie7 h ASP 261 CO -0.00 1.32 0.32 0.74 -1.72 0.00 0.00 179.24 179.90 1ie7 h THR 262 N 0.67 1.20 -0.64 0.35 2.02 -0.80 -0.81 112.91 114.89 1ie7 h THR 262 Ca 0.01 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1ie7 h THR 262 Cb 1.15 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1ie7 h THR 262 CO 0.12 0.22 0.31 -0.07 0.37 0.00 0.00 175.52 176.47 1ie7 h LEU 263 N 0.83 0.81 -0.40 2.58 3.38 -1.20 -0.20 115.31 121.12 1ie7 h LEU 263 Ca 0.21 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1ie7 h LEU 263 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1ie7 h LEU 263 CO -0.03 0.69 -0.15 -0.09 0.09 0.00 0.00 178.44 178.95 1ie7 h ARG 264 N 0.90 0.80 -0.94 1.13 2.43 -0.93 -1.20 114.38 116.58 1ie7 h ARG 264 Ca 0.22 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1ie7 h ARG 264 Cb 0.09 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 1ie7 h ARG 264 CO -0.03 0.96 0.57 0.00 -1.51 0.00 0.00 179.97 179.96 1ie7 h ALA 265 N 0.82 1.23 -0.87 2.80 0.00 -0.47 -2.75 119.26 120.03 1ie7 h ALA 265 Ca 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ie7 h ALA 265 Cb 0.69 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ie7 h ALA 265 CO 0.05 0.66 0.57 0.82 0.00 0.00 0.00 179.25 181.35 1ie7 h ILE 266 N 1.30 1.21 -5.69 0.00 2.04 -0.85 -3.41 117.51 112.11 1ie7 h ILE 266 Ca 0.34 -0.40 -0.37 0.00 1.00 0.00 0.00 64.86 65.43 1ie7 h ILE 266 Cb -0.06 -0.05 0.14 0.00 -0.74 0.00 0.00 36.82 36.11 1ie7 h ILE 266 CO -0.06 0.21 -0.69 -3.20 0.00 0.00 0.00 178.15 174.41 1ie7 n ASN 267 N -4.49 -5.22 0.00 1.72 4.05 -0.47 -1.74 115.26 109.11 1ie7 n ASN 267 Ca 0.09 -0.55 0.00 0.00 0.45 0.00 0.00 54.58 54.58 1ie7 n ASN 267 Cb 0.02 -4.96 0.00 0.00 1.23 0.00 0.00 39.78 36.08 1ie7 n ASN 267 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ie7 n GLY 268 N -1.77 1.05 3.78 8.20 0.00 -1.26 -5.00 105.19 110.19 1ie7 n GLY 268 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1ie7 n GLY 268 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ie7 s ARG 269 N -0.18 2.96 0.41 1.61 0.52 -0.71 -4.82 118.95 118.74 1ie7 s ARG 269 Ca 0.00 1.30 -0.25 0.00 -0.52 0.00 0.00 55.73 56.27 1ie7 s ARG 269 Cb 0.00 -1.98 -0.08 0.00 0.52 0.00 0.00 34.95 33.41 1ie7 s ARG 269 CO 0.00 -1.11 1.14 0.08 0.02 0.00 0.00 175.30 175.43 1ie7 s VAL 270 N -2.42 3.29 -0.26 3.52 1.01 -1.26 -4.80 120.40 119.48 1ie7 s VAL 270 Ca 0.65 1.04 -0.25 0.00 0.00 0.00 0.00 61.98 63.42 1ie7 s VAL 270 Cb -0.19 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.71 1ie7 s VAL 270 CO 0.41 0.06 0.79 -0.51 0.00 0.00 0.00 175.10 175.85 1ie7 s ILE 271 N -1.49 0.00 -0.31 2.22 2.07 -1.02 -4.74 121.20 117.93 1ie7 s ILE 271 Ca 0.58 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.62 1ie7 s ILE 271 Cb -0.28 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.30 1ie7 s ILE 271 CO 0.35 0.00 0.62 -2.28 -1.91 0.00 0.00 174.94 171.73 1ie7 s HIS 272 N 0.23 3.21 -0.50 3.50 5.65 0.75 -1.09 115.29 127.03 1ie7 s HIS 272 Ca -0.00 0.55 -0.21 0.00 0.25 0.00 0.00 55.06 55.65 1ie7 s HIS 272 Cb -0.05 -2.99 0.04 0.00 -1.18 0.00 0.00 32.58 28.40 1ie7 s HIS 272 CO 0.00 -0.48 0.74 0.45 -0.65 0.00 0.00 174.74 174.80 1ie7 s SER 273 N 1.65 6.30 0.72 9.88 0.15 0.11 -0.86 113.70 131.65 1ie7 s SER 273 Ca 0.25 -0.54 -0.12 0.00 0.70 0.00 0.00 55.95 56.24 1ie7 s SER 273 Cb -0.15 -2.35 0.03 0.00 -1.71 0.00 0.00 66.02 61.84 1ie7 s SER 273 CO 0.12 -0.98 1.10 -0.36 1.20 0.00 0.00 173.24 174.32 1ie7 s PHE 274 N 3.15 2.61 -0.08 3.44 0.08 -0.78 -1.16 117.98 125.23 1ie7 s PHE 274 Ca 0.23 1.55 -0.01 0.00 0.12 0.00 0.00 56.93 58.82 1ie7 s PHE 274 Cb -0.15 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 1ie7 s PHE 274 CO 0.17 -1.74 0.05 -2.39 -0.10 0.00 0.00 175.22 171.21 1ie7 n HIS 275 N -3.03 -0.15 0.27 0.36 1.44 -0.99 -4.73 115.22 108.40 1ie7 n HIS 275 Ca 0.10 0.05 0.14 0.00 -2.01 0.00 0.00 57.72 56.00 1ie7 n HIS 275 Cb 0.53 -0.23 0.79 0.00 0.12 0.00 0.00 29.99 31.20 1ie7 n HIS 275 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 1ie7 h VAL 276 N 1.46 0.47 -0.63 0.61 3.04 -1.26 -1.55 116.25 118.38 1ie7 h VAL 276 Ca -0.06 -0.43 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 1ie7 h VAL 276 Cb 0.12 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 30.66 1ie7 h VAL 276 CO 0.03 0.09 0.24 -0.08 -1.01 0.00 0.00 177.57 176.84 1ie7 h GLU 277 N 0.00 0.93 0.00 4.17 4.22 -1.85 -2.67 114.58 119.39 1ie7 h GLU 277 Ca -0.00 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.28 1ie7 h GLU 277 Cb 0.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ie7 h GLU 277 CO 0.01 0.77 0.00 0.41 -2.18 0.00 0.00 179.01 178.02 1ie7 n GLY 278 N -0.98 0.64 0.21 1.92 0.00 -0.59 -4.35 105.19 102.04 1ie7 n GLY 278 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 1ie7 n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ie7 h ALA 279 N 0.00 1.09 0.00 4.61 0.00 -1.81 -0.85 119.26 122.30 1ie7 h ALA 279 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ie7 h ALA 279 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ie7 h ALA 279 CO 0.00 0.58 -0.12 0.41 0.00 0.00 0.00 179.25 180.13 1ie7 n GLY 280 N -0.21 -1.49 0.00 0.00 0.00 -1.26 -4.92 105.19 97.31 1ie7 n GLY 280 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ie7 n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ie7 n GLY 281 N 1.46 4.47 0.00 -0.02 0.00 -0.32 -5.00 105.19 105.78 1ie7 n GLY 281 Ca 0.06 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ie7 n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ie7 n GLY 282 N -1.80 3.84 1.59 -0.02 0.00 -1.24 -4.24 105.19 103.32 1ie7 n GLY 282 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 1ie7 n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ie7 n HIS 283 N -1.38 0.71 -3.21 1.61 8.25 -1.21 -4.07 115.22 115.92 1ie7 n HIS 283 Ca 0.00 0.46 -0.39 0.00 -0.26 0.00 0.00 57.72 57.54 1ie7 n HIS 283 Cb 0.00 -0.98 -0.06 0.00 1.12 0.00 0.00 29.99 30.07 1ie7 n HIS 283 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ie7 s ALA 284 N 1.63 3.51 -1.12 -1.41 0.00 -0.73 -1.91 121.76 121.73 1ie7 s ALA 284 Ca 0.48 0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.60 1ie7 s ALA 284 Cb -0.66 -2.73 0.28 0.00 0.00 0.00 0.00 23.12 20.01 1ie7 s ALA 284 CO 0.34 0.23 1.19 -0.35 0.00 0.00 0.00 175.76 177.17 1ie7 n PRO 285 N 2.43 2.38 -0.89 0.00 -0.04 -1.26 -4.92 135.00 132.69 1ie7 n PRO 285 Ca -0.08 -1.90 -0.07 0.00 -0.04 0.00 0.00 63.50 61.41 1ie7 n PRO 285 Cb 0.51 -1.28 0.23 0.00 -0.04 0.00 0.00 33.50 32.92 1ie7 n PRO 285 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ie7 n ASP 286 N 0.62 3.53 0.24 3.54 5.75 -1.07 -4.68 116.55 124.49 1ie7 n ASP 286 Ca 0.11 -3.49 0.07 0.00 -0.01 0.00 0.00 54.79 51.48 1ie7 n ASP 286 Cb 0.41 -0.69 0.60 0.00 -1.03 0.00 0.00 41.12 40.41 1ie7 n ASP 286 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1ie7 h ILE 287 N 1.51 1.04 0.00 2.12 6.09 -1.66 -1.72 117.51 124.89 1ie7 h ILE 287 Ca 0.29 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.62 1ie7 h ILE 287 Cb 2.05 1.06 0.00 0.00 0.47 0.00 0.00 36.82 40.41 1ie7 h ILE 287 CO 0.60 0.05 0.00 -0.03 -3.07 0.00 0.00 178.15 175.70 1ie7 h MET 288 N 0.02 0.00 -0.38 2.19 4.05 -1.67 -0.54 114.93 118.60 1ie7 h MET 288 Ca 0.01 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.54 1ie7 h MET 288 Cb 0.08 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1ie7 h MET 288 CO 0.00 0.00 0.29 0.00 0.23 0.00 0.00 176.91 177.43 1ie7 h ALA 289 N 2.07 2.31 -1.17 0.39 0.00 -1.60 -1.03 119.26 120.23 1ie7 h ALA 289 Ca 0.00 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.24 1ie7 h ALA 289 Cb 0.20 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 1ie7 h ALA 289 CO 0.00 -0.49 0.76 0.52 0.00 0.00 0.00 179.25 180.04 1ie7 h MET 290 N 0.00 0.23 0.00 0.00 2.07 -1.29 -2.35 114.93 113.59 1ie7 h MET 290 Ca 0.18 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 1ie7 h MET 290 Cb 0.76 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.44 1ie7 h MET 290 CO -0.00 0.15 0.00 0.00 1.07 0.00 0.00 176.91 178.13 1ie7 n ALA 291 N -2.51 1.88 0.72 6.32 0.00 -0.39 -2.26 120.51 124.27 1ie7 n ALA 291 Ca 0.30 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1ie7 n ALA 291 Cb 1.14 -1.22 0.11 0.00 0.00 0.00 0.00 19.45 19.47 1ie7 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ie7 n GLY 292 N -0.15 -1.25 3.87 0.00 0.00 -0.88 -4.75 105.19 102.03 1ie7 n GLY 292 Ca 0.08 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1ie7 n GLY 292 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ie7 s HIS 293 N -3.12 3.43 0.28 1.61 3.76 -0.96 -2.22 115.29 118.08 1ie7 s HIS 293 Ca 0.07 1.04 0.14 0.00 -0.15 0.00 0.00 55.06 56.16 1ie7 s HIS 293 Cb 0.15 -2.42 0.62 0.00 1.11 0.00 0.00 32.58 32.04 1ie7 s HIS 293 CO 0.76 0.03 1.74 -1.00 -0.85 0.00 0.00 174.74 175.42 1ie7 h PRO 294 N 1.77 0.00 -0.50 8.40 0.13 -1.93 -2.95 132.00 136.91 1ie7 h PRO 294 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ie7 h PRO 294 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ie7 h PRO 294 CO 0.65 0.45 0.00 0.27 -0.23 0.00 0.00 178.00 179.14 1ie7 n ASN 295 N -3.80 3.07 -4.60 1.44 6.94 -1.26 -1.13 115.26 115.93 1ie7 n ASN 295 Ca -0.01 -1.97 -0.34 0.00 -0.02 0.00 0.00 54.58 52.24 1ie7 n ASN 295 Cb 0.50 -0.33 -0.10 0.00 -2.36 0.00 0.00 39.78 37.48 1ie7 n ASN 295 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ie7 s VAL 296 N -1.34 4.43 -0.48 3.53 1.01 -1.11 -2.43 120.40 124.01 1ie7 s VAL 296 Ca 0.39 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 1ie7 s VAL 296 Cb 0.21 -2.96 0.12 0.00 0.00 0.00 0.00 36.38 33.74 1ie7 s VAL 296 CO 0.28 0.49 0.36 -0.76 0.00 0.00 0.00 175.10 175.47 1ie7 s LEU 297 N 0.20 5.72 -0.06 3.92 1.43 -0.25 -4.12 118.68 125.51 1ie7 s LEU 297 Ca 0.02 -1.88 -0.22 0.00 -1.03 0.00 0.00 54.13 51.02 1ie7 s LEU 297 Cb -0.13 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1ie7 s LEU 297 CO 0.01 -0.70 0.66 -2.16 0.23 0.00 0.00 176.35 174.39 1ie7 s PRO 298 N 1.39 4.41 0.16 1.29 0.04 -1.26 -0.71 135.00 140.32 1ie7 s PRO 298 Ca 0.05 0.81 0.07 0.00 0.04 0.00 0.00 61.00 61.97 1ie7 s PRO 298 Cb -0.26 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1ie7 s PRO 298 CO -0.00 0.12 -0.16 -1.54 0.04 0.00 0.00 177.00 175.46 1ie7 s SER 299 N 0.62 2.41 0.14 6.66 1.04 -0.31 -1.97 113.70 122.29 1ie7 s SER 299 Ca 0.35 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1ie7 s SER 299 Cb -0.17 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 1ie7 s SER 299 CO 0.17 -0.11 0.18 -0.44 0.98 0.00 0.00 173.24 174.02 1ie7 s SER 300 N -2.77 5.86 0.62 7.02 0.01 -0.31 -1.05 113.70 123.09 1ie7 s SER 300 Ca 0.15 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.45 1ie7 s SER 300 Cb -0.04 -1.64 0.08 0.00 0.21 0.00 0.00 66.02 64.63 1ie7 s SER 300 CO 0.05 0.09 0.86 0.42 0.41 0.00 0.00 173.24 175.07 1ie7 s THR 301 N -1.67 2.37 -1.80 1.44 -4.23 -1.26 -1.11 115.64 109.37 1ie7 s THR 301 Ca 0.32 -0.71 0.23 0.00 -1.18 0.00 0.00 61.69 60.35 1ie7 s THR 301 Cb -0.11 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.10 1ie7 s THR 301 CO 0.25 0.00 1.19 -0.46 -0.54 0.00 0.00 174.62 175.06 1ie7 n ASN 302 N -2.51 1.61 0.14 3.99 0.23 -0.92 -4.28 115.26 113.52 1ie7 n ASN 302 Ca 0.12 -1.26 -0.01 0.00 -0.53 0.00 0.00 54.58 52.91 1ie7 n ASN 302 Cb 0.60 0.46 0.23 0.00 -2.08 0.00 0.00 39.78 38.99 1ie7 n ASN 302 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1ie7 h PRO 303 N 1.76 0.07 -0.00 -0.53 0.11 -1.83 -0.41 132.00 131.17 1ie7 h PRO 303 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1ie7 h PRO 303 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1ie7 h PRO 303 CO 0.00 0.56 -0.02 0.25 -0.21 0.00 0.00 178.00 178.58 1ie7 n THR 304 N -3.94 0.00 -3.81 -1.15 -2.24 -1.26 -4.80 114.28 97.07 1ie7 n THR 304 Ca -0.02 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 1ie7 n THR 304 Cb 0.53 -0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 1ie7 n THR 304 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ie7 s ARG 305 N -2.14 3.83 0.22 -0.78 1.81 -0.17 -3.49 118.95 118.23 1ie7 s ARG 305 Ca 0.40 -0.40 -0.00 0.00 -1.72 0.00 0.00 55.73 54.01 1ie7 s ARG 305 Cb 0.21 -3.36 0.04 0.00 -0.45 0.00 0.00 34.95 31.40 1ie7 s ARG 305 CO 0.39 -0.03 0.30 -0.35 -0.68 0.00 0.00 175.30 174.93 1ie7 n PRO 306 N 4.48 0.36 -2.50 3.54 -0.04 -1.26 -4.80 135.00 134.77 1ie7 n PRO 306 Ca -0.16 -0.79 -0.43 0.00 -0.04 0.00 0.00 63.50 62.08 1ie7 n PRO 306 Cb 0.52 -0.21 -0.02 0.00 -0.04 0.00 0.00 33.50 33.75 1ie7 n PRO 306 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ie7 s PHE 307 N -0.80 2.91 0.39 0.54 5.36 -1.23 -4.98 117.98 120.17 1ie7 s PHE 307 Ca 0.20 1.05 0.04 0.00 -0.96 0.00 0.00 56.93 57.25 1ie7 s PHE 307 Cb -0.01 -3.69 -0.05 0.00 -0.34 0.00 0.00 43.02 38.93 1ie7 s PHE 307 CO 0.13 -1.34 0.06 0.95 -1.46 0.00 0.00 175.22 173.56 1ie7 s THR 308 N 3.86 1.19 0.25 0.12 -4.23 -1.26 -2.31 115.64 113.26 1ie7 s THR 308 Ca 0.52 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.30 1ie7 s THR 308 Cb -0.17 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.32 1ie7 s THR 308 CO 0.17 0.00 1.95 -0.37 -0.54 0.00 0.00 174.62 175.83 1ie7 h VAL 309 N 1.87 0.48 0.00 2.29 -1.51 -1.66 -2.51 116.25 115.21 1ie7 h VAL 309 Ca -0.41 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 1ie7 h VAL 309 Cb 1.26 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1ie7 h VAL 309 CO 0.69 0.15 -0.69 0.59 -1.23 0.00 0.00 177.57 177.08 1ie7 n ASN 310 N -3.43 0.61 -0.05 4.19 3.02 -1.26 -4.59 115.26 113.73 1ie7 n ASN 310 Ca -0.01 -0.26 -0.10 0.00 -0.03 0.00 0.00 54.58 54.18 1ie7 n ASN 310 Cb 0.33 0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 39.90 1ie7 n ASN 310 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ie7 h THR 311 N 0.00 0.18 -0.15 3.41 2.02 -1.83 -0.79 112.91 115.75 1ie7 h THR 311 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ie7 h THR 311 Cb 0.59 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1ie7 h THR 311 CO 0.00 0.00 -0.00 0.40 0.37 0.00 0.00 175.52 176.29 1ie7 h ILE 312 N -0.39 1.26 -0.66 3.11 1.08 -1.81 0.12 117.51 120.22 1ie7 h ILE 312 Ca 0.11 -0.85 0.10 0.00 -0.39 0.00 0.00 64.86 63.83 1ie7 h ILE 312 Cb 0.58 1.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.79 1ie7 h ILE 312 CO -0.46 0.25 0.27 0.44 -0.69 0.00 0.00 178.15 177.96 1ie7 h ASP 313 N -0.00 0.30 -0.20 1.72 3.32 -1.83 0.26 116.42 119.99 1ie7 h ASP 313 Ca 0.04 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1ie7 h ASP 313 Cb 0.38 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1ie7 h ASP 313 CO 0.01 0.17 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.58 1ie7 h GLU 314 N 0.47 0.38 -0.28 3.56 4.81 -0.97 -2.83 114.58 119.72 1ie7 h GLU 314 Ca 0.33 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1ie7 h GLU 314 Cb 0.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1ie7 h GLU 314 CO -0.31 0.62 0.00 0.45 -0.73 0.00 0.00 179.01 179.05 1ie7 h HIS 315 N 0.12 0.54 -0.07 0.92 3.86 -0.26 0.25 115.15 120.50 1ie7 h HIS 315 Ca 0.05 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1ie7 h HIS 315 Cb 0.47 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 1ie7 h HIS 315 CO 0.05 0.64 -0.25 -0.07 0.86 0.00 0.00 177.93 179.17 1ie7 h LEU 316 N 0.29 -0.75 -0.43 2.43 3.38 -0.57 0.21 115.31 119.86 1ie7 h LEU 316 Ca 0.08 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1ie7 h LEU 316 Cb 0.43 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1ie7 h LEU 316 CO 0.01 -0.30 0.21 -0.78 0.09 0.00 0.00 178.44 177.67 1ie7 h ASP 317 N -0.34 0.56 -0.77 -0.43 3.58 -1.46 -1.70 116.42 115.86 1ie7 h ASP 317 Ca 0.08 -0.12 0.12 0.00 0.42 0.00 0.00 57.03 57.53 1ie7 h ASP 317 Cb 0.46 -0.14 -0.09 0.00 1.72 0.00 0.00 39.33 41.28 1ie7 h ASP 317 CO -0.27 0.52 0.36 -0.03 -2.88 0.00 0.00 179.24 176.95 1ie7 h MET 318 N 0.55 0.54 -0.84 0.28 4.05 0.04 -0.32 114.93 119.23 1ie7 h MET 318 Ca 0.15 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1ie7 h MET 318 Cb 0.11 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 1ie7 h MET 318 CO -0.02 0.36 0.38 1.25 0.23 0.00 0.00 176.91 179.11 1ie7 h LEU 319 N 0.56 1.12 -0.46 3.39 5.85 -0.20 -1.41 115.31 124.15 1ie7 h LEU 319 Ca 0.40 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 1ie7 h LEU 319 Cb 0.53 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ie7 h LEU 319 CO -0.34 0.96 -0.39 0.24 -0.34 0.00 0.00 178.44 178.56 1ie7 h MET 320 N 1.21 0.00 0.15 1.25 2.86 -0.19 -1.72 114.93 118.48 1ie7 h MET 320 Ca 0.29 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.62 1ie7 h MET 320 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1ie7 h MET 320 CO -0.03 0.39 -1.51 -0.39 1.06 0.00 0.00 176.91 176.43 1ie7 h VAL 321 N 0.00 1.20 -0.36 -2.22 -1.51 -1.03 0.29 116.25 112.61 1ie7 h VAL 321 Ca -0.00 -2.79 -0.01 0.00 -1.23 0.00 0.00 66.70 62.66 1ie7 h VAL 321 Cb 1.12 2.83 -0.02 0.00 -2.13 0.00 0.00 31.29 33.09 1ie7 h VAL 321 CO 0.05 0.84 0.17 0.00 -1.23 0.00 0.00 177.57 177.40 1ie7 n HIS 323 N -4.72 0.39 -3.91 0.00 8.25 -0.65 -4.94 115.22 109.64 1ie7 n HIS 323 Ca -0.01 -0.20 -0.24 0.00 -0.26 0.00 0.00 57.72 57.01 1ie7 n HIS 323 Cb 0.11 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 1ie7 n HIS 323 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ie7 n HIS 324 N 0.88 -1.69 -2.41 4.41 8.25 -0.35 -4.90 115.22 119.40 1ie7 n HIS 324 Ca 0.17 0.76 -0.36 0.00 -0.26 0.00 0.00 57.72 58.04 1ie7 n HIS 324 Cb 0.45 -3.87 -0.02 0.00 1.12 0.00 0.00 29.99 27.67 1ie7 n HIS 324 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ie7 s LEU 325 N -6.91 4.01 -0.28 2.41 1.43 0.87 -5.02 118.68 115.20 1ie7 s LEU 325 Ca 0.00 2.14 -0.04 0.00 -1.03 0.00 0.00 54.13 55.20 1ie7 s LEU 325 Cb -0.00 -4.30 0.02 0.00 0.03 0.00 0.00 46.19 41.94 1ie7 s LEU 325 CO 0.87 -0.77 0.00 -0.54 0.23 0.00 0.00 176.35 176.15 1ie7 s LYS 326 N -2.76 2.86 0.03 1.70 3.01 -1.26 -4.84 119.74 118.48 1ie7 s LYS 326 Ca 0.63 -0.98 0.02 0.00 -1.01 0.00 0.00 55.97 54.63 1ie7 s LYS 326 Cb -0.24 -3.17 0.11 0.00 -1.01 0.00 0.00 37.83 33.53 1ie7 s LYS 326 CO 0.29 -0.46 0.12 0.27 0.51 0.00 0.00 175.35 176.09 1ie7 n ASN 327 N 4.74 0.02 0.05 2.83 6.94 -1.26 -1.51 115.26 127.06 1ie7 n ASN 327 Ca -0.15 0.12 -0.16 0.00 -0.02 0.00 0.00 54.58 54.37 1ie7 n ASN 327 Cb 0.47 -0.06 -0.14 0.00 -2.36 0.00 0.00 39.78 37.69 1ie7 n ASN 327 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1ie7 h ASN 328 N 0.00 0.32 -3.35 0.53 -0.00 -2.02 -3.46 115.58 107.59 1ie7 h ASN 328 Ca 0.07 -0.48 -0.57 0.00 -0.00 0.00 0.00 56.30 55.32 1ie7 h ASN 328 Cb 0.21 -0.10 -0.07 0.00 -0.00 0.00 0.00 38.32 38.36 1ie7 h ASN 328 CO -0.05 1.40 0.23 -0.63 -0.00 0.00 0.00 177.43 178.39 1ie7 s ILE 329 N -2.61 4.97 0.14 6.14 1.01 -0.57 -4.96 121.20 125.31 1ie7 s ILE 329 Ca -0.09 1.48 0.10 0.00 0.00 0.00 0.00 60.65 62.14 1ie7 s ILE 329 Cb 0.07 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 1ie7 s ILE 329 CO 0.84 0.12 1.44 1.55 0.00 0.00 0.00 174.94 178.89 1ie7 h PRO 330 N 7.17 0.00 -0.17 2.79 0.13 -1.89 -0.61 132.00 139.41 1ie7 h PRO 330 Ca -0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 1ie7 h PRO 330 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1ie7 h PRO 330 CO 0.79 0.77 -0.52 0.93 -0.23 0.00 0.00 178.00 179.74 1ie7 h GLU 331 N 0.00 0.48 -0.46 0.86 3.07 -1.95 0.44 114.58 117.03 1ie7 h GLU 331 Ca -0.01 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.36 58.45 1ie7 h GLU 331 Cb 1.44 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.36 1ie7 h GLU 331 CO 0.10 0.89 -0.14 -0.44 -1.40 0.00 0.00 179.01 178.02 1ie7 h ASP 332 N 0.37 0.91 -0.53 1.42 3.32 -1.46 -1.78 116.42 118.69 1ie7 h ASP 332 Ca 0.01 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.57 1ie7 h ASP 332 Cb 1.04 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1ie7 h ASP 332 CO 0.09 1.08 -0.12 0.58 -1.72 0.00 0.00 179.24 179.15 1ie7 h VAL 333 N 0.74 1.27 -0.54 -1.35 2.07 -0.90 -1.52 116.25 116.03 1ie7 h VAL 333 Ca 0.11 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 1ie7 h VAL 333 Cb 0.69 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1ie7 h VAL 333 CO 0.05 0.45 0.10 0.00 0.02 0.00 0.00 177.57 178.19 1ie7 h ALA 334 N 0.91 1.16 -0.13 1.67 0.00 -0.89 -1.37 119.26 120.61 1ie7 h ALA 334 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ie7 h ALA 334 Cb 0.69 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ie7 h ALA 334 CO 0.05 0.56 0.00 0.35 0.00 0.00 0.00 179.25 180.21 1ie7 h PHE 335 N 0.81 0.24 -0.36 0.00 3.57 -0.97 0.41 116.94 120.63 1ie7 h PHE 335 Ca 0.17 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1ie7 h PHE 335 Cb 0.34 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 1ie7 h PHE 335 CO 0.02 0.46 -0.12 0.00 -2.23 0.00 0.00 178.31 176.44 1ie7 h ALA 336 N 0.75 0.20 0.00 2.41 0.00 -1.12 -1.65 119.26 119.85 1ie7 h ALA 336 Ca 0.04 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ie7 h ALA 336 Cb 0.36 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ie7 h ALA 336 CO 0.01 -0.49 -0.25 -0.44 0.00 0.00 0.00 179.25 178.08 1ie7 h ASP 337 N -0.04 0.00 1.32 0.00 3.32 -0.95 -0.91 116.42 119.16 1ie7 h ASP 337 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ie7 h ASP 337 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1ie7 h ASP 337 CO -0.39 0.25 -0.12 -1.54 -1.72 0.00 0.00 179.24 175.72 1ie7 n SER 338 N -3.60 0.72 -0.09 6.45 3.41 0.11 -4.17 113.62 116.45 1ie7 n SER 338 Ca -0.01 0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 58.97 1ie7 n SER 338 Cb 0.38 -0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 1ie7 n SER 338 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ie7 n ARG 339 N -2.16 1.02 -3.53 4.33 0.63 -0.62 -4.60 116.66 111.73 1ie7 n ARG 339 Ca 0.05 0.05 -0.41 0.00 -0.92 0.00 0.00 57.85 56.62 1ie7 n ARG 339 Cb 0.42 -1.40 -0.08 0.00 0.45 0.00 0.00 32.46 31.85 1ie7 n ARG 339 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ie7 s ILE 340 N -2.39 4.32 -0.11 5.15 -1.09 -0.44 -3.97 121.20 122.66 1ie7 s ILE 340 Ca -0.16 -1.79 0.02 0.00 -2.23 0.00 0.00 60.65 56.49 1ie7 s ILE 340 Cb 0.06 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1ie7 s ILE 340 CO 0.56 -0.79 -0.17 -0.13 -1.23 0.00 0.00 174.94 173.18 1ie7 s ARG 341 N 1.35 2.41 0.29 2.79 0.52 -1.26 -4.75 118.95 120.29 1ie7 s ARG 341 Ca 0.06 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 1ie7 s ARG 341 Cb -0.26 -2.01 0.42 0.00 0.52 0.00 0.00 34.95 33.62 1ie7 s ARG 341 CO -0.01 -0.04 1.85 -1.00 0.02 0.00 0.00 175.30 176.12 1ie7 h PRO 342 N 7.37 0.85 -0.62 3.54 0.13 -1.96 -1.21 132.00 140.09 1ie7 h PRO 342 Ca -0.31 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1ie7 h PRO 342 Cb 1.18 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1ie7 h PRO 342 CO 0.50 0.73 0.26 0.93 -0.23 0.00 0.00 178.00 180.19 1ie7 h GLU 343 N 0.82 0.90 0.00 0.86 3.07 -1.91 -1.59 114.58 116.74 1ie7 h GLU 343 Ca 0.19 -0.14 -0.22 0.00 -0.50 0.00 0.00 59.36 58.69 1ie7 h GLU 343 Cb 0.24 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1ie7 h GLU 343 CO -0.01 0.73 -1.62 0.25 -1.40 0.00 0.00 179.01 176.96 1ie7 n THR 344 N -4.32 1.32 -0.07 1.13 -2.24 -0.76 -2.71 114.28 106.63 1ie7 n THR 344 Ca 0.05 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 60.97 1ie7 n THR 344 Cb 0.16 -0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 67.58 1ie7 n THR 344 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1ie7 h ILE 345 N 0.00 1.28 -0.42 2.28 2.04 -1.16 0.45 117.51 121.98 1ie7 h ILE 345 Ca -0.24 -1.70 -0.10 0.00 1.00 0.00 0.00 64.86 63.83 1ie7 h ILE 345 Cb 1.78 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 1ie7 h ILE 345 CO 0.05 0.55 -0.13 0.00 0.00 0.00 0.00 178.15 178.63 1ie7 h ALA 346 N 0.78 0.97 0.00 1.87 0.00 -1.39 -2.46 119.26 119.04 1ie7 h ALA 346 Ca 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1ie7 h ALA 346 Cb 1.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ie7 h ALA 346 CO 0.11 0.61 -0.43 0.00 0.00 0.00 0.00 179.25 179.54 1ie7 h ALA 347 N 1.16 0.99 -0.69 0.00 0.00 -1.29 -2.36 119.26 117.06 1ie7 h ALA 347 Ca 0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1ie7 h ALA 347 Cb 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1ie7 h ALA 347 CO 0.04 0.54 0.23 1.49 0.00 0.00 0.00 179.25 181.55 1ie7 h GLU 348 N 0.00 1.05 -0.09 0.00 4.81 -0.44 0.36 114.58 120.28 1ie7 h GLU 348 Ca -0.00 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1ie7 h GLU 348 Cb 0.95 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 1ie7 h GLU 348 CO 0.06 0.89 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.63 1ie7 h ASP 349 N 1.02 -0.46 -0.62 1.04 3.32 -1.20 -2.23 116.42 117.29 1ie7 h ASP 349 Ca 0.23 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1ie7 h ASP 349 Cb 0.26 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1ie7 h ASP 349 CO -0.01 -0.20 0.10 0.40 -1.72 0.00 0.00 179.24 177.81 1ie7 h ILE 350 N -0.21 1.26 0.00 0.35 2.04 -1.33 -2.52 117.51 117.11 1ie7 h ILE 350 Ca 0.08 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1ie7 h ILE 350 Cb 0.32 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1ie7 h ILE 350 CO -0.21 0.38 -0.16 -0.07 0.00 0.00 0.00 178.15 178.09 1ie7 h LEU 351 N 0.94 0.00 -0.49 1.44 3.38 -0.82 -0.54 115.31 119.23 1ie7 h LEU 351 Ca 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1ie7 h LEU 351 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ie7 h LEU 351 CO 0.01 0.16 -0.18 0.45 0.09 0.00 0.00 178.44 178.97 1ie7 h HIS 352 N 0.00 1.12 0.00 1.13 3.86 -1.13 -0.23 115.15 119.91 1ie7 h HIS 352 Ca -0.00 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 58.87 1ie7 h HIS 352 Cb 0.29 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1ie7 h HIS 352 CO 0.00 1.08 -0.37 0.22 0.86 0.00 0.00 177.93 179.72 1ie7 h ASP 353 N 0.84 0.00 0.64 2.45 3.58 -0.87 -1.89 116.42 121.16 1ie7 h ASP 353 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1ie7 h ASP 353 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1ie7 h ASP 353 CO 0.06 0.37 -0.39 0.18 -2.88 0.00 0.00 179.24 176.58 1ie7 n LEU 354 N -3.95 0.40 0.00 2.28 4.77 -0.31 -4.95 117.00 115.25 1ie7 n LEU 354 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1ie7 n LEU 354 Cb 0.42 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ie7 n LEU 354 CO 0.38 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1ie7 n GLY 355 N 1.49 0.54 0.10 -0.72 0.00 -0.71 -4.81 105.19 101.07 1ie7 n GLY 355 Ca 0.06 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1ie7 n GLY 355 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ie7 n ILE 356 N -2.74 1.64 -3.75 -0.61 5.41 -0.14 -2.71 119.36 116.46 1ie7 n ILE 356 Ca 0.00 -0.76 -0.36 0.00 1.00 0.00 0.00 62.75 62.63 1ie7 n ILE 356 Cb 0.00 -1.18 -0.10 0.00 -0.71 0.00 0.00 39.64 37.64 1ie7 n ILE 356 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1ie7 s ILE 357 N -2.58 5.06 -0.42 1.39 1.01 -1.09 -4.83 121.20 119.74 1ie7 s ILE 357 Ca -0.10 0.08 0.23 0.00 0.00 0.00 0.00 60.65 60.86 1ie7 s ILE 357 Cb 0.08 -3.35 -0.14 0.00 0.01 0.00 0.00 42.46 39.06 1ie7 s ILE 357 CO 0.81 0.36 0.92 -1.20 0.00 0.00 0.00 174.94 175.83 1ie7 n SER 358 N 4.28 0.55 -4.06 3.58 7.64 -0.83 -4.64 113.62 120.14 1ie7 n SER 358 Ca -0.15 -0.08 -0.09 0.00 1.01 0.00 0.00 58.87 59.56 1ie7 n SER 358 Cb 0.52 0.97 -0.11 0.00 -1.01 0.00 0.00 64.21 64.58 1ie7 n SER 358 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ie7 s MET 359 N -3.29 0.53 0.29 1.43 -1.94 -0.98 -4.14 119.30 111.20 1ie7 s MET 359 Ca 0.01 -0.95 0.09 0.00 -1.71 0.00 0.00 55.69 53.12 1ie7 s MET 359 Cb 0.13 0.02 -0.04 0.00 2.01 0.00 0.00 34.83 36.95 1ie7 s MET 359 CO 0.82 -0.05 0.04 -1.64 -0.01 0.00 0.00 175.02 174.18 1ie7 s MET 360 N -2.67 2.30 0.32 2.03 1.00 -0.07 -1.16 119.30 121.05 1ie7 s MET 360 Ca -0.03 -1.48 -0.19 0.00 0.00 0.00 0.00 55.69 53.99 1ie7 s MET 360 Cb -0.02 -2.14 0.04 0.00 0.00 0.00 0.00 34.83 32.71 1ie7 s MET 360 CO -0.04 0.28 0.78 -1.54 0.00 0.00 0.00 175.02 174.49 1ie7 s SER 361 N -3.72 -0.12 -0.22 3.03 1.04 -0.27 -4.71 113.70 108.73 1ie7 s SER 361 Ca 0.33 -0.85 -0.17 0.00 0.48 0.00 0.00 55.95 55.74 1ie7 s SER 361 Cb -0.05 0.76 -0.13 0.00 0.10 0.00 0.00 66.02 66.71 1ie7 s SER 361 CO 0.21 -1.47 -0.10 0.35 0.98 0.00 0.00 173.24 173.20 1ie7 n THR 362 N -0.50 1.51 -1.86 2.02 -2.24 -1.26 -2.17 114.28 109.77 1ie7 n THR 362 Ca -0.06 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1ie7 n THR 362 Cb 0.60 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 1ie7 n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ie7 n ASP 363 N -4.40 -0.98 -4.12 3.42 -0.08 -0.16 -2.93 116.55 107.30 1ie7 n ASP 363 Ca -0.34 0.00 -0.57 0.00 -1.51 0.00 0.00 54.79 52.37 1ie7 n ASP 363 Cb 0.67 -0.46 -0.08 0.00 2.34 0.00 0.00 41.12 43.59 1ie7 n ASP 363 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ie7 n ALA 364 N -1.09 -1.99 -1.16 -1.67 0.00 -1.08 -1.77 120.51 111.75 1ie7 n ALA 364 Ca 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 53.44 53.86 1ie7 n ALA 364 Cb 0.46 -1.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1ie7 n ALA 364 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ie7 n LEU 365 N 2.71 0.14 -3.01 0.00 4.77 -0.33 -2.96 117.00 118.30 1ie7 n LEU 365 Ca 0.24 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.21 1ie7 n LEU 365 Cb -0.01 -2.21 0.00 0.00 -2.33 0.00 0.00 43.42 38.87 1ie7 n LEU 365 CO 0.70 -0.83 -0.12 0.00 -1.33 0.00 0.00 177.39 175.81 1ie7 n ALA 366 N 1.10 1.93 -2.09 -1.18 0.00 -0.73 -4.86 120.51 114.68 1ie7 n ALA 366 Ca -0.06 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.34 1ie7 n ALA 366 Cb 0.45 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1ie7 n ALA 366 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ie7 n MET 367 N 0.19 0.00 -3.61 0.00 1.56 -1.25 -4.92 117.12 109.10 1ie7 n MET 367 Ca 0.19 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.55 1ie7 n MET 367 Cb 0.70 -2.45 -0.05 0.00 2.15 0.00 0.00 33.22 33.57 1ie7 n MET 367 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1ie7 s GLY 368 N -2.97 -0.09 -0.22 -5.12 0.00 -0.91 -4.58 107.32 93.42 1ie7 s GLY 368 Ca 0.00 2.44 -0.07 0.00 0.00 0.00 0.00 44.72 47.09 1ie7 s GLY 368 CO 0.00 1.11 0.05 0.50 0.00 0.00 0.00 173.10 174.76 1ie7 s ARG 369 N -1.01 3.70 0.53 2.90 0.52 -1.23 -1.19 118.95 123.17 1ie7 s ARG 369 Ca 0.03 -0.47 0.26 0.00 -0.52 0.00 0.00 55.73 55.04 1ie7 s ARG 369 Cb -0.01 -3.24 1.46 0.00 0.52 0.00 0.00 34.95 33.69 1ie7 s ARG 369 CO -0.03 -0.05 2.10 0.00 0.02 0.00 0.00 175.30 177.33 1ie7 h ALA 370 N 7.76 1.38 -0.30 2.13 0.00 -1.92 -2.59 119.26 125.73 1ie7 h ALA 370 Ca -0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1ie7 h ALA 370 Cb 1.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1ie7 h ALA 370 CO 0.61 0.13 0.01 0.41 0.00 0.00 0.00 179.25 180.40 1ie7 n GLY 371 N -0.85 4.14 0.00 0.00 0.00 -1.26 -4.04 105.19 103.17 1ie7 n GLY 371 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1ie7 n GLY 371 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ie7 n GLU 372 N -0.57 1.19 0.12 1.61 1.02 -0.97 -4.68 120.64 118.35 1ie7 n GLU 372 Ca 0.24 -0.89 -0.13 0.00 -0.02 0.00 0.00 57.16 56.35 1ie7 n GLU 372 Cb 0.95 -0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 31.50 1ie7 n GLU 372 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1ie7 h MET 373 N 0.00 -0.22 -0.37 3.49 4.05 -1.83 -0.67 114.93 119.38 1ie7 h MET 373 Ca 0.00 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 1ie7 h MET 373 Cb 0.59 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1ie7 h MET 373 CO 0.00 -0.15 0.01 0.28 0.23 0.00 0.00 176.91 177.28 1ie7 h VAL 374 N -0.23 1.26 0.04 -5.77 2.07 -1.87 -2.30 116.25 109.45 1ie7 h VAL 374 Ca -0.02 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.56 1ie7 h VAL 374 Cb 0.18 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1ie7 h VAL 374 CO 0.02 0.32 -0.21 0.25 0.02 0.00 0.00 177.57 177.97 1ie7 h LEU 375 N 0.46 -0.62 -0.98 2.57 5.85 -1.49 -2.33 115.31 118.77 1ie7 h LEU 375 Ca 0.11 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1ie7 h LEU 375 Cb 0.45 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1ie7 h LEU 375 CO 0.02 -0.29 -0.32 0.03 -0.34 0.00 0.00 178.44 177.54 1ie7 h ARG 376 N -0.36 0.00 -0.17 1.25 3.08 -1.12 -1.49 114.38 115.56 1ie7 h ARG 376 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ie7 h ARG 376 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1ie7 h ARG 376 CO -0.17 0.32 0.10 1.15 -1.07 0.00 0.00 179.97 180.30 1ie7 h THR 377 N 0.00 1.08 -0.15 2.04 2.02 -0.87 -1.62 112.91 115.40 1ie7 h THR 377 Ca -0.00 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.84 1ie7 h THR 377 Cb 0.85 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1ie7 h THR 377 CO 0.04 0.07 -0.51 -0.50 0.37 0.00 0.00 175.52 174.99 1ie7 h TRP 378 N 0.20 0.53 -0.80 3.16 4.06 -1.17 -1.76 115.95 120.17 1ie7 h TRP 378 Ca 0.06 -0.18 0.06 0.00 2.06 0.00 0.00 58.89 60.89 1ie7 h TRP 378 Cb 0.03 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.03 1ie7 h TRP 378 CO -0.05 0.86 0.49 1.96 -3.56 0.00 0.00 178.44 178.13 1ie7 h GLN 379 N 0.34 0.87 -0.29 0.49 4.20 -1.22 -0.71 115.11 118.80 1ie7 h GLN 379 Ca 0.01 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1ie7 h GLN 379 Cb 1.02 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1ie7 h GLN 379 CO 0.09 0.58 0.04 1.15 -0.67 0.00 0.00 178.83 180.02 1ie7 h THR 380 N 0.90 1.24 -0.96 -0.54 2.02 -1.01 -1.65 112.91 112.90 1ie7 h THR 380 Ca 0.35 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.74 1ie7 h THR 380 Cb 0.15 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1ie7 h THR 380 CO -0.17 0.26 0.63 0.00 0.37 0.00 0.00 175.52 176.62 1ie7 h ALA 381 N 0.86 1.26 -0.70 6.16 0.00 -1.04 -0.66 119.26 125.15 1ie7 h ALA 381 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ie7 h ALA 381 Cb 0.35 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ie7 h ALA 381 CO 0.01 0.52 0.15 0.22 0.00 0.00 0.00 179.25 180.15 1ie7 h ASP 382 N 1.23 1.07 -0.53 0.00 3.58 -1.02 -1.60 116.42 119.14 1ie7 h ASP 382 Ca 0.38 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1ie7 h ASP 382 Cb -0.02 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 1ie7 h ASP 382 CO -0.12 1.03 0.15 0.50 -2.88 0.00 0.00 179.24 177.92 1ie7 h LYS 383 N 1.06 0.84 -0.66 0.28 3.64 -0.67 -1.58 116.57 119.48 1ie7 h LYS 383 Ca 0.22 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1ie7 h LYS 383 Cb 0.40 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1ie7 h LYS 383 CO 0.01 0.79 0.23 0.52 -2.27 0.00 0.00 179.45 178.73 1ie7 h MET 384 N 0.74 1.02 -0.44 1.90 2.86 -1.06 0.29 114.93 120.24 1ie7 h MET 384 Ca 0.17 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1ie7 h MET 384 Cb 0.31 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1ie7 h MET 384 CO -0.00 0.87 0.29 -0.22 1.06 0.00 0.00 176.91 178.90 1ie7 h LYS 385 N 0.95 0.57 -0.58 1.72 3.64 -0.99 0.60 116.57 122.49 1ie7 h LYS 385 Ca 0.22 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1ie7 h LYS 385 Cb 0.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1ie7 h LYS 385 CO -0.01 0.38 0.01 0.87 -2.27 0.00 0.00 179.45 178.43 1ie7 h LYS 386 N 0.58 1.00 0.07 1.90 1.57 -0.92 0.95 116.57 121.73 1ie7 h LYS 386 Ca 0.16 -0.30 -0.30 0.00 -1.87 0.00 0.00 60.65 58.35 1ie7 h LYS 386 Cb -0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1ie7 h LYS 386 CO -0.04 0.97 -1.57 1.96 -0.57 0.00 0.00 179.45 180.21 1ie7 h GLN 387 N 0.92 0.15 0.00 3.15 4.20 -0.65 -3.39 115.11 119.49 1ie7 h GLN 387 Ca 0.17 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1ie7 h GLN 387 Cb 0.52 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1ie7 h GLN 387 CO 0.03 0.94 -0.69 0.54 -0.67 0.00 0.00 178.83 178.98 1ie7 n ARG 388 N -3.33 2.66 0.00 1.46 1.74 0.21 -5.07 116.66 114.32 1ie7 n ARG 388 Ca -0.16 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1ie7 n ARG 388 Cb 1.03 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 1ie7 n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ie7 n GLY 389 N 1.34 -1.43 3.61 -0.13 0.00 0.33 -4.89 105.19 104.03 1ie7 n GLY 389 Ca 0.02 -1.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.02 1ie7 n GLY 389 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ie7 n PRO 390 N -1.62 1.51 -1.19 1.61 -0.02 -1.26 -4.54 135.00 129.48 1ie7 n PRO 390 Ca 0.00 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 1ie7 n PRO 390 Cb 0.00 -1.99 0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1ie7 n PRO 390 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ie7 s LEU 391 N 0.23 3.13 0.40 2.45 1.43 -1.26 -4.91 118.68 120.15 1ie7 s LEU 391 Ca 0.62 2.19 0.12 0.00 -1.03 0.00 0.00 54.13 56.03 1ie7 s LEU 391 Cb -0.70 -4.57 0.84 0.00 0.03 0.00 0.00 46.19 41.79 1ie7 s LEU 391 CO 0.58 -2.45 1.92 0.00 0.23 0.00 0.00 176.35 176.63 1ie7 h ALA 392 N -0.91 1.54 0.00 4.21 0.00 -1.97 -1.92 119.26 120.21 1ie7 h ALA 392 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1ie7 h ALA 392 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ie7 h ALA 392 CO 0.48 0.33 0.00 0.93 0.00 0.00 0.00 179.25 180.99 1ie7 h GLU 393 N 0.10 0.00 -7.16 0.00 3.07 -2.02 -3.45 114.58 105.12 1ie7 h GLU 393 Ca 0.02 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.34 1ie7 h GLU 393 Cb 0.42 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.48 1ie7 h GLU 393 CO 0.03 0.00 0.42 -1.21 -1.40 0.00 0.00 179.01 176.85 1ie7 s GLU 394 N -3.67 2.26 -0.01 2.33 0.41 -0.73 -4.91 118.70 114.38 1ie7 s GLU 394 Ca 0.01 1.83 0.01 0.00 -0.41 0.00 0.00 54.97 56.41 1ie7 s GLU 394 Cb 0.10 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.61 1ie7 s GLU 394 CO 0.47 -1.76 -0.05 -1.59 -0.49 0.00 0.00 175.26 171.85 1ie7 s LYS 395 N -3.77 0.48 -0.91 1.61 -2.85 -1.26 -4.93 119.74 108.11 1ie7 s LYS 395 Ca 0.76 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.58 1ie7 s LYS 395 Cb -0.31 -0.49 0.00 0.00 -2.06 0.00 0.00 37.83 34.98 1ie7 s LYS 395 CO 0.43 0.07 0.00 0.27 0.10 0.00 0.00 175.35 176.22 1ie7 n ASN 396 N 3.21 -3.77 0.00 0.03 2.04 -1.26 -2.56 115.26 112.95 1ie7 n ASN 396 Ca -0.16 0.14 0.00 0.00 -0.44 0.00 0.00 54.58 54.12 1ie7 n ASN 396 Cb 0.56 -2.44 0.00 0.00 -2.53 0.00 0.00 39.78 35.37 1ie7 n ASN 396 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ie7 n GLY 397 N -1.54 1.30 3.95 4.83 0.00 -1.26 -5.04 105.19 107.43 1ie7 n GLY 397 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1ie7 n GLY 397 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ie7 s SER 398 N -3.13 5.99 -0.38 1.61 1.04 -1.06 -4.87 113.70 112.91 1ie7 s SER 398 Ca 0.00 0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.77 1ie7 s SER 398 Cb 0.00 -1.66 0.53 0.00 0.10 0.00 0.00 66.02 64.99 1ie7 s SER 398 CO 0.00 -0.54 1.61 0.47 0.98 0.00 0.00 173.24 175.76 1ie7 n ASP 399 N -1.94 3.70 -0.25 7.02 8.00 0.17 -4.48 116.55 128.77 1ie7 n ASP 399 Ca -0.01 -3.75 -0.03 0.00 0.71 0.00 0.00 54.79 51.71 1ie7 n ASP 399 Cb 0.57 -0.70 0.08 0.00 -0.02 0.00 0.00 41.12 41.06 1ie7 n ASP 399 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1ie7 h ASN 400 N 1.27 0.73 -0.25 -2.24 4.21 -1.91 0.19 115.58 117.57 1ie7 h ASN 400 Ca 0.38 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.88 1ie7 h ASN 400 Cb 1.80 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.84 1ie7 h ASN 400 CO 0.75 0.50 0.10 0.15 -1.29 0.00 0.00 177.43 177.64 1ie7 h PHE 401 N 0.87 0.39 -0.72 1.19 3.57 -1.91 -0.63 116.94 119.70 1ie7 h PHE 401 Ca 0.28 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 1ie7 h PHE 401 Cb 0.02 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1ie7 h PHE 401 CO -0.04 0.41 0.20 -0.09 -2.23 0.00 0.00 178.31 176.56 1ie7 h ARG 402 N 0.25 1.13 -0.68 1.11 2.43 -1.82 -1.11 114.38 115.70 1ie7 h ARG 402 Ca 0.08 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1ie7 h ARG 402 Cb 0.19 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1ie7 h ARG 402 CO -0.01 0.97 0.31 -0.07 -1.51 0.00 0.00 179.97 179.67 1ie7 h LEU 403 N 1.08 0.88 -0.42 3.80 3.38 -0.39 0.16 115.31 123.79 1ie7 h LEU 403 Ca 0.23 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1ie7 h LEU 403 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ie7 h LEU 403 CO -0.00 0.75 -0.61 0.11 0.09 0.00 0.00 178.44 178.79 1ie7 h LYS 404 N 0.96 0.62 -0.66 1.13 1.57 -0.89 0.12 116.57 119.42 1ie7 h LYS 404 Ca 0.23 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1ie7 h LYS 404 Cb 0.12 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1ie7 h LYS 404 CO -0.03 1.04 0.21 -0.09 -0.57 0.00 0.00 179.45 180.01 1ie7 h ARG 405 N 0.46 1.02 0.22 3.15 2.43 -0.49 -2.47 114.38 118.70 1ie7 h ARG 405 Ca -0.00 -0.22 -0.33 0.00 -0.81 0.00 0.00 59.98 58.62 1ie7 h ARG 405 Cb 1.18 -0.15 0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1ie7 h ARG 405 CO 0.12 0.89 -1.46 1.88 -1.51 0.00 0.00 179.97 179.88 1ie7 h TYR 406 N 0.95 0.86 -0.22 2.20 -1.99 -0.86 -3.23 116.97 114.68 1ie7 h TYR 406 Ca 0.21 -0.63 -0.01 0.00 2.00 0.00 0.00 58.73 60.31 1ie7 h TYR 406 Cb 0.29 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1ie7 h TYR 406 CO 0.02 1.52 0.11 -0.24 -0.00 0.00 0.00 178.16 179.57 1ie7 h VAL 407 N 0.13 1.08 0.00 -2.88 3.04 -0.77 -2.10 116.25 114.75 1ie7 h VAL 407 Ca -0.24 -0.21 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 1ie7 h VAL 407 Cb 2.13 0.79 -0.00 0.00 -2.01 0.00 0.00 31.29 32.20 1ie7 h VAL 407 CO 0.25 0.09 -0.12 0.28 -1.01 0.00 0.00 177.57 177.06 1ie7 h SER 408 N 0.30 0.00 0.47 3.17 0.02 -1.46 -2.81 113.55 113.24 1ie7 h SER 408 Ca 0.08 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1ie7 h SER 408 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1ie7 h SER 408 CO -0.01 0.12 -0.22 0.11 -1.14 0.00 0.00 176.83 175.69 1ie7 h LYS 409 N 0.00 0.00 0.00 3.45 1.57 -1.43 -1.00 116.57 119.16 1ie7 h LYS 409 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ie7 h LYS 409 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ie7 h LYS 409 CO 0.02 0.22 0.00 2.48 -0.57 0.00 0.00 179.45 181.59 1ie7 n TYR 410 N -3.75 0.00 0.00 -1.35 0.18 -1.11 -0.89 117.16 110.25 1ie7 n TYR 410 Ca -0.01 -0.17 0.00 0.00 1.88 0.00 0.00 57.90 59.60 1ie7 n TYR 410 Cb 0.32 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.27 1ie7 n TYR 410 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1ie7 n THR 411 N -0.17 0.00 0.09 -3.48 -2.24 -1.08 -0.25 114.28 107.15 1ie7 n THR 411 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1ie7 n THR 411 Cb 0.09 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.63 1ie7 n THR 411 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ie7 h ILE 412 N 0.00 1.57 -0.04 2.28 6.09 -1.34 -3.06 117.51 123.01 1ie7 h ILE 412 Ca 0.00 -3.06 -0.01 0.00 -1.37 0.00 0.00 64.86 60.43 1ie7 h ILE 412 Cb 0.00 2.79 -0.00 0.00 0.47 0.00 0.00 36.82 40.07 1ie7 h ILE 412 CO 0.00 0.89 0.00 0.78 -3.07 0.00 0.00 178.15 176.75 1ie7 h ASN 413 N 0.06 0.07 -0.88 2.19 2.35 -1.47 0.30 115.58 118.19 1ie7 h ASN 413 Ca -0.07 -0.29 0.10 0.00 -0.55 0.00 0.00 56.30 55.49 1ie7 h ASN 413 Cb 1.78 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 40.06 1ie7 h ASN 413 CO 0.16 0.35 0.52 -0.65 -1.65 0.00 0.00 177.43 176.16 1ie7 h PRO 414 N -0.21 0.83 -0.71 0.81 0.11 -1.78 -0.41 132.00 130.63 1ie7 h PRO 414 Ca 0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ie7 h PRO 414 Cb 0.31 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.20 1ie7 h PRO 414 CO 0.00 0.55 0.46 0.00 -0.21 0.00 0.00 178.00 178.80 1ie7 h ALA 415 N 1.48 0.91 -0.51 -0.75 0.00 -1.37 -1.39 119.26 117.63 1ie7 h ALA 415 Ca 0.43 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1ie7 h ALA 415 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ie7 h ALA 415 CO -0.26 0.34 0.07 0.82 0.00 0.00 0.00 179.25 180.23 1ie7 h ILE 416 N 0.97 1.25 -0.41 0.00 2.04 -0.56 -1.30 117.51 119.50 1ie7 h ILE 416 Ca 0.26 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 1ie7 h ILE 416 Cb -0.09 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1ie7 h ILE 416 CO -0.05 0.34 0.02 0.00 0.00 0.00 0.00 178.15 178.45 1ie7 h ALA 417 N 0.97 1.25 0.00 1.87 0.00 -0.76 -2.72 119.26 119.87 1ie7 h ALA 417 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ie7 h ALA 417 Cb 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ie7 h ALA 417 CO 0.01 0.50 -0.34 0.94 0.00 0.00 0.00 179.25 180.37 1ie7 n GLN 418 N -4.25 0.11 -1.00 0.00 -0.06 -0.55 -4.72 117.38 106.91 1ie7 n GLN 418 Ca 0.02 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 1ie7 n GLN 418 Cb 0.26 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 24.85 1ie7 n GLN 418 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ie7 n GLY 419 N 1.43 1.09 0.02 1.69 0.00 -0.90 -4.61 105.19 103.91 1ie7 n GLY 419 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ie7 n GLY 419 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ie7 n ILE 420 N -2.57 0.59 0.76 -0.61 -5.35 -0.54 -1.15 119.36 110.48 1ie7 n ILE 420 Ca 0.00 -0.60 0.08 0.00 -0.27 0.00 0.00 62.75 61.96 1ie7 n ILE 420 Cb 0.23 0.68 0.40 0.00 -1.74 0.00 0.00 39.64 39.22 1ie7 n ILE 420 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ie7 n ALA 421 N -0.31 1.89 0.23 -1.28 0.00 -1.05 -1.55 120.51 118.44 1ie7 n ALA 421 Ca 0.01 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1ie7 n ALA 421 Cb 0.38 -1.26 0.39 0.00 0.00 0.00 0.00 19.45 18.96 1ie7 n ALA 421 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ie7 h HIS 422 N 0.00 0.00 0.00 0.00 2.07 -1.91 -3.36 115.15 111.96 1ie7 h HIS 422 Ca 0.00 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.17 1ie7 h HIS 422 Cb 0.14 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.06 1ie7 h HIS 422 CO 0.00 0.12 -2.25 0.39 -3.07 0.00 0.00 177.93 173.12 1ie7 n GLU 423 N -3.19 0.51 -3.56 5.12 -0.58 -0.59 -4.65 120.64 113.69 1ie7 n GLU 423 Ca 0.02 0.17 -0.15 0.00 -0.42 0.00 0.00 57.16 56.78 1ie7 n GLU 423 Cb 0.46 -1.37 -0.05 0.00 -0.57 0.00 0.00 31.44 29.91 1ie7 n GLU 423 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1ie7 n VAL 424 N -3.57 0.00 0.00 2.62 0.24 -0.83 -0.26 118.33 116.53 1ie7 n VAL 424 Ca -0.42 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.25 1ie7 n VAL 424 Cb 0.86 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1ie7 n VAL 424 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ie7 n GLY 425 N -0.19 1.65 3.53 7.63 0.00 -1.26 -4.22 105.19 112.34 1ie7 n GLY 425 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1ie7 n GLY 425 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ie7 s SER 426 N -1.60 -0.45 -1.09 1.61 1.04 -1.26 -1.91 113.70 110.05 1ie7 s SER 426 Ca 0.00 -0.13 -0.15 0.00 0.48 0.00 0.00 55.95 56.15 1ie7 s SER 426 Cb 0.00 0.57 0.17 0.00 0.10 0.00 0.00 66.02 66.86 1ie7 s SER 426 CO 0.00 -0.96 1.28 -0.63 0.98 0.00 0.00 173.24 173.91 1ie7 s ILE 427 N -3.62 5.03 0.11 -1.02 1.01 -1.26 -4.90 121.20 116.55 1ie7 s ILE 427 Ca 0.04 -2.34 0.04 0.00 0.00 0.00 0.00 60.65 58.40 1ie7 s ILE 427 Cb -0.02 -4.82 -0.04 0.00 0.01 0.00 0.00 42.46 37.59 1ie7 s ILE 427 CO -0.08 -1.52 -0.11 -1.61 0.00 0.00 0.00 174.94 171.62 1ie7 s GLU 428 N 1.67 0.90 0.31 2.79 2.02 -1.26 -4.97 118.70 120.16 1ie7 s GLU 428 Ca 0.37 -1.19 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 1ie7 s GLU 428 Cb -0.04 -0.62 -0.10 0.00 0.10 0.00 0.00 34.13 33.47 1ie7 s GLU 428 CO -0.04 0.10 1.32 -1.21 0.02 0.00 0.00 175.26 175.45 1ie7 s GLU 429 N -2.82 4.35 0.00 1.61 2.02 -1.26 -2.60 118.70 120.00 1ie7 s GLU 429 Ca 0.07 2.21 0.00 0.00 0.02 0.00 0.00 54.97 57.27 1ie7 s GLU 429 Cb -0.03 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1ie7 s GLU 429 CO 0.01 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1ie7 n GLY 430 N 1.05 0.50 3.83 -1.39 0.00 0.30 -5.01 105.19 104.46 1ie7 n GLY 430 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1ie7 n GLY 430 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ie7 s LYS 431 N -0.86 2.97 0.40 1.61 1.02 -1.07 -4.85 119.74 118.96 1ie7 s LYS 431 Ca 0.00 -0.98 -0.27 0.00 0.02 0.00 0.00 55.97 54.74 1ie7 s LYS 431 Cb 0.00 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1ie7 s LYS 431 CO 0.00 0.42 1.40 0.12 -0.92 0.00 0.00 175.35 176.37 1ie7 s PHE 432 N -2.03 2.66 -1.42 3.18 5.36 0.64 -0.06 117.98 126.31 1ie7 s PHE 432 Ca 0.33 1.29 -0.12 0.00 -0.96 0.00 0.00 56.93 57.46 1ie7 s PHE 432 Cb -0.08 -3.86 0.07 0.00 -0.34 0.00 0.00 43.02 38.80 1ie7 s PHE 432 CO 0.25 -2.61 2.19 0.00 -1.46 0.00 0.00 175.22 173.59 1ie7 n ALA 433 N 0.19 5.68 -2.96 11.12 0.00 -0.38 -4.61 120.51 129.54 1ie7 n ALA 433 Ca 0.03 -3.98 -0.45 0.00 0.00 0.00 0.00 53.44 49.05 1ie7 n ALA 433 Cb 0.41 -3.36 -0.07 0.00 0.00 0.00 0.00 19.45 16.44 1ie7 n ALA 433 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ie7 s ASP 434 N 2.43 6.17 0.01 0.00 1.01 -1.26 -1.72 116.67 123.31 1ie7 s ASP 434 Ca 0.47 -1.37 0.03 0.00 0.71 0.00 0.00 52.55 52.38 1ie7 s ASP 434 Cb 0.13 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.84 1ie7 s ASP 434 CO -0.06 -0.76 -0.10 -0.76 0.21 0.00 0.00 175.17 173.70 1ie7 s LEU 435 N 1.84 2.08 -0.21 1.23 1.43 -0.18 -2.46 118.68 122.41 1ie7 s LEU 435 Ca 0.06 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1ie7 s LEU 435 Cb -0.25 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.54 1ie7 s LEU 435 CO 0.07 0.06 -0.14 -0.69 0.23 0.00 0.00 176.35 175.87 1ie7 s VAL 436 N -0.47 2.38 0.01 -1.59 1.01 0.05 -0.10 120.40 121.68 1ie7 s VAL 436 Ca 0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1ie7 s VAL 436 Cb -0.05 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1ie7 s VAL 436 CO 0.00 0.38 0.57 -0.76 0.00 0.00 0.00 175.10 175.29 1ie7 s LEU 437 N 1.29 4.44 -0.06 3.92 1.02 0.25 -1.82 118.68 127.71 1ie7 s LEU 437 Ca 0.02 1.15 0.02 0.00 0.02 0.00 0.00 54.13 55.34 1ie7 s LEU 437 Cb -0.15 -2.88 0.01 0.00 0.02 0.00 0.00 46.19 43.19 1ie7 s LEU 437 CO -0.09 0.15 -0.11 0.26 0.02 0.00 0.00 176.35 176.58 1ie7 s TRP 438 N -0.39 1.31 0.35 0.29 0.52 0.13 -0.77 118.94 120.38 1ie7 s TRP 438 Ca 0.30 -0.46 -0.28 0.00 0.02 0.00 0.00 56.10 55.69 1ie7 s TRP 438 Cb -0.18 -0.98 -0.09 0.00 -1.15 0.00 0.00 33.47 31.07 1ie7 s TRP 438 CO 0.17 -0.24 1.21 -1.21 0.02 0.00 0.00 176.95 176.90 1ie7 s GLU 439 N 0.64 4.30 0.34 4.98 2.02 -1.26 -0.91 118.70 128.81 1ie7 s GLU 439 Ca -0.13 2.00 0.05 0.00 0.02 0.00 0.00 54.97 56.91 1ie7 s GLU 439 Cb -0.15 -2.95 0.71 0.00 0.10 0.00 0.00 34.13 31.84 1ie7 s GLU 439 CO 0.03 -0.16 1.91 -1.35 0.02 0.00 0.00 175.26 175.71 1ie7 h PRO 440 N 3.19 0.79 0.00 0.39 0.11 -1.91 0.48 132.00 135.06 1ie7 h PRO 440 Ca -0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1ie7 h PRO 440 Cb 1.23 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ie7 h PRO 440 CO 0.65 0.52 -0.14 1.57 -0.21 0.00 0.00 178.00 180.38 1ie7 h LYS 441 N 0.81 0.00 -0.44 1.05 2.10 -1.88 -0.22 116.57 117.99 1ie7 h LYS 441 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1ie7 h LYS 441 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1ie7 h LYS 441 CO -0.15 0.14 0.00 1.19 -2.00 0.00 0.00 179.45 178.63 1ie7 n PHE 442 N -3.77 0.70 -1.68 0.07 3.72 0.05 -4.47 117.46 112.09 1ie7 n PHE 442 Ca -0.02 -0.55 -0.45 0.00 -0.05 0.00 0.00 57.45 56.38 1ie7 n PHE 442 Cb 0.25 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 1ie7 n PHE 442 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ie7 n PHE 443 N 0.69 2.32 -0.27 1.38 7.35 -0.56 -0.98 117.46 127.39 1ie7 n PHE 443 Ca 0.16 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 1ie7 n PHE 443 Cb 0.55 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.84 1ie7 n PHE 443 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ie7 n GLY 444 N 3.25 2.43 0.36 7.13 0.00 -1.26 -4.39 105.19 112.71 1ie7 n GLY 444 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 1ie7 n GLY 444 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ie7 n VAL 445 N -2.00 0.56 -3.82 1.61 0.31 -0.15 -3.10 118.33 111.74 1ie7 n VAL 445 Ca 0.00 0.29 -0.26 0.00 -0.01 0.00 0.00 64.34 64.36 1ie7 n VAL 445 Cb 0.00 -1.64 -0.17 0.00 -0.91 0.00 0.00 33.84 31.13 1ie7 n VAL 445 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ie7 s LYS 446 N -1.64 0.99 0.44 5.55 1.02 -1.01 -4.63 119.74 120.47 1ie7 s LYS 446 Ca -0.08 -0.28 -0.25 0.00 0.02 0.00 0.00 55.97 55.39 1ie7 s LYS 446 Cb 0.01 -1.68 -0.08 0.00 -0.52 0.00 0.00 37.83 35.57 1ie7 s LYS 446 CO 0.11 -0.43 1.29 0.00 -0.92 0.00 0.00 175.35 175.40 1ie7 s ALA 447 N 1.80 3.14 -0.11 5.17 0.00 -0.81 -4.77 121.76 126.17 1ie7 s ALA 447 Ca 0.02 1.20 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 1ie7 s ALA 447 Cb -0.15 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.36 1ie7 s ALA 447 CO -0.07 -0.89 0.43 0.22 0.00 0.00 0.00 175.76 175.45 1ie7 h ASP 448 N 2.36 -0.02 -3.62 0.00 3.58 -1.31 -3.38 116.42 114.03 1ie7 h ASP 448 Ca -0.50 -0.49 -0.24 0.00 0.42 0.00 0.00 57.03 56.22 1ie7 h ASP 448 Cb 1.26 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 42.01 1ie7 h ASP 448 CO 0.61 0.72 -0.65 -0.13 -2.88 0.00 0.00 179.24 176.91 1ie7 s ARG 449 N -2.01 0.06 -0.21 0.28 0.52 -1.13 -1.48 118.95 114.97 1ie7 s ARG 449 Ca -0.10 0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.28 1ie7 s ARG 449 Cb -0.01 -0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.39 1ie7 s ARG 449 CO 0.36 -0.08 -0.11 0.08 0.02 0.00 0.00 175.30 175.56 1ie7 s VAL 450 N 0.55 2.70 -0.20 3.52 1.01 0.87 -0.59 120.40 128.26 1ie7 s VAL 450 Ca -0.04 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1ie7 s VAL 450 Cb -0.06 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1ie7 s VAL 450 CO -0.02 0.42 0.19 -0.63 0.00 0.00 0.00 175.10 175.05 1ie7 s ILE 451 N 1.36 5.36 -0.20 2.22 1.01 0.86 -0.23 121.20 131.59 1ie7 s ILE 451 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1ie7 s ILE 451 Cb -0.14 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 38.85 1ie7 s ILE 451 CO -0.08 0.40 -0.07 -0.54 0.00 0.00 0.00 174.94 174.65 1ie7 s LYS 452 N 0.58 1.69 -1.53 2.79 -0.14 -0.19 -1.02 119.74 121.91 1ie7 s LYS 452 Ca 0.11 -0.78 -0.03 0.00 -1.36 0.00 0.00 55.97 53.90 1ie7 s LYS 452 Cb -0.12 -2.34 0.00 0.00 -1.68 0.00 0.00 37.83 33.69 1ie7 s LYS 452 CO 0.01 -0.49 0.45 0.41 -0.76 0.00 0.00 175.35 174.97 1ie7 n GLY 453 N 4.75 -0.46 2.45 -3.33 0.00 -0.70 -1.78 105.19 106.11 1ie7 n GLY 453 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ie7 n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ie7 n GLY 454 N -1.39 0.84 3.20 -0.02 0.00 -0.88 -4.29 105.19 102.66 1ie7 n GLY 454 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1ie7 n GLY 454 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ie7 s ILE 455 N -3.32 1.53 0.17 -0.61 -1.09 -0.74 -4.99 121.20 112.15 1ie7 s ILE 455 Ca 0.00 -0.86 -0.32 0.00 -2.23 0.00 0.00 60.65 57.25 1ie7 s ILE 455 Cb 0.00 -1.28 -0.10 0.00 -1.58 0.00 0.00 42.46 39.50 1ie7 s ILE 455 CO 0.00 0.41 1.59 -0.63 -1.23 0.00 0.00 174.94 175.08 1ie7 s ILE 456 N -0.48 2.55 -0.19 2.92 1.01 -1.26 -1.02 121.20 124.72 1ie7 s ILE 456 Ca 0.07 0.39 0.15 0.00 0.00 0.00 0.00 60.65 61.26 1ie7 s ILE 456 Cb -0.08 -3.25 -0.22 0.00 0.01 0.00 0.00 42.46 38.93 1ie7 s ILE 456 CO -0.01 0.03 0.03 0.00 0.00 0.00 0.00 174.94 174.99 1ie7 n ALA 457 N 4.01 1.53 -3.27 9.38 0.00 0.68 -2.24 120.51 130.60 1ie7 n ALA 457 Ca 0.14 -1.20 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 1ie7 n ALA 457 Cb 0.38 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.60 1ie7 n ALA 457 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ie7 s TYR 458 N -2.45 -0.41 -0.15 0.00 5.04 -1.17 -0.63 117.35 117.58 1ie7 s TYR 458 Ca -0.12 0.98 -0.19 0.00 -2.44 0.00 0.00 57.07 55.30 1ie7 s TYR 458 Cb 0.06 0.14 0.05 0.00 0.35 0.00 0.00 41.96 42.56 1ie7 s TYR 458 CO 0.74 -0.22 0.50 0.00 -1.34 0.00 0.00 175.55 175.23 1ie7 s ALA 459 N 0.08 -1.25 -0.51 3.97 0.00 -0.61 -0.09 121.76 123.35 1ie7 s ALA 459 Ca -0.01 1.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.95 1ie7 s ALA 459 Cb -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.46 1ie7 s ALA 459 CO 0.01 -0.26 1.42 -0.65 0.00 0.00 0.00 175.76 176.29 1ie7 s GLN 460 N -0.07 3.38 0.03 0.00 -1.52 -0.55 -1.01 119.66 119.92 1ie7 s GLN 460 Ca -0.03 0.63 -0.11 0.00 -1.95 0.00 0.00 55.36 53.90 1ie7 s GLN 460 Cb -0.03 -4.09 0.01 0.00 -0.22 0.00 0.00 33.01 28.67 1ie7 s GLN 460 CO 0.02 -1.82 0.24 -1.50 -0.25 0.00 0.00 175.29 171.98 1ie7 s ILE 461 N 5.90 0.09 0.00 1.08 2.07 -0.81 -4.82 121.20 124.71 1ie7 s ILE 461 Ca 0.56 -0.75 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1ie7 s ILE 461 Cb -0.12 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.63 1ie7 s ILE 461 CO 0.28 -0.41 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 1ie7 n GLY 462 N 0.79 1.00 3.71 1.50 0.00 0.14 -1.63 105.19 110.70 1ie7 n GLY 462 Ca -0.19 -1.91 -0.67 0.00 0.00 0.00 0.00 46.02 43.24 1ie7 n GLY 462 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ie7 n ASP 463 N -0.43 1.21 0.07 1.61 2.03 -0.51 -4.86 116.55 115.69 1ie7 n ASP 463 Ca 0.00 1.14 0.11 0.00 0.52 0.00 0.00 54.79 56.56 1ie7 n ASP 463 Cb 0.00 -0.89 0.44 0.00 -0.72 0.00 0.00 41.12 39.95 1ie7 n ASP 463 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ie7 n PRO 464 N 4.33 0.13 -0.02 -0.67 -0.04 -1.26 -1.97 135.00 135.50 1ie7 n PRO 464 Ca 0.33 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 1ie7 n PRO 464 Cb -0.05 -1.71 0.11 0.00 -0.04 0.00 0.00 33.50 31.80 1ie7 n PRO 464 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ie7 n SER 465 N -1.95 2.96 -4.92 3.54 3.41 -1.26 -4.99 113.62 110.41 1ie7 n SER 465 Ca 0.04 -1.96 -0.26 0.00 -0.26 0.00 0.00 58.87 56.42 1ie7 n SER 465 Cb 0.26 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.25 1ie7 n SER 465 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ie7 s ALA 466 N -1.87 3.07 0.30 7.33 0.00 -0.83 -4.98 121.76 124.78 1ie7 s ALA 466 Ca 0.28 -0.86 0.14 0.00 0.00 0.00 0.00 51.96 51.51 1ie7 s ALA 466 Cb 0.19 -2.67 0.62 0.00 0.00 0.00 0.00 23.12 21.27 1ie7 s ALA 466 CO 0.29 -1.34 1.74 0.66 0.00 0.00 0.00 175.76 177.11 1ie7 h SER 467 N -0.66 0.00 -4.79 0.00 4.64 -1.94 -3.44 113.55 107.36 1ie7 h SER 467 Ca -0.45 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.58 1ie7 h SER 467 Cb 1.32 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.26 1ie7 h SER 467 CO 0.61 0.45 -0.63 0.27 -0.87 0.00 0.00 176.83 176.66 1ie7 s ILE 468 N -3.87 0.45 -1.13 0.95 -4.36 -1.26 -5.08 121.20 106.89 1ie7 s ILE 468 Ca -0.02 -1.98 0.29 0.00 -0.26 0.00 0.00 60.65 58.67 1ie7 s ILE 468 Cb 0.13 -2.40 0.28 0.00 1.25 0.00 0.00 42.46 41.72 1ie7 s ILE 468 CO 0.72 -0.19 1.87 -0.81 0.24 0.00 0.00 174.94 176.78 1ie7 n PRO 469 N -0.33 0.14 0.04 0.37 -0.05 -1.26 -4.25 135.00 129.66 1ie7 n PRO 469 Ca -0.02 -0.02 0.12 0.00 -0.05 0.00 0.00 63.50 63.53 1ie7 n PRO 469 Cb 0.65 -1.50 0.21 0.00 -0.05 0.00 0.00 33.50 32.81 1ie7 n PRO 469 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1ie7 n THR 470 N -1.41 0.25 -1.89 0.52 -2.24 -1.26 0.26 114.28 108.51 1ie7 n THR 470 Ca 0.09 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 1ie7 n THR 470 Cb 0.32 -0.05 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1ie7 n THR 470 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1ie7 s PRO 471 N -3.12 2.87 0.64 -0.78 0.02 -1.26 -4.70 135.00 128.67 1ie7 s PRO 471 Ca 0.08 1.62 -0.16 0.00 0.02 0.00 0.00 61.00 62.55 1ie7 s PRO 471 Cb 0.15 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.72 1ie7 s PRO 471 CO 0.71 -1.24 1.12 -0.65 -0.33 0.00 0.00 177.00 176.61 1ie7 s GLN 472 N -3.67 2.88 -0.12 5.54 -1.52 -1.26 -1.42 119.66 120.09 1ie7 s GLN 472 Ca 0.72 1.46 -0.16 0.00 -1.95 0.00 0.00 55.36 55.43 1ie7 s GLN 472 Cb -0.25 -1.95 -0.05 0.00 -0.22 0.00 0.00 33.01 30.54 1ie7 s GLN 472 CO 0.36 -1.20 0.40 -1.25 -0.25 0.00 0.00 175.29 173.35 1ie7 s PRO 473 N -3.92 4.25 -0.25 2.91 0.04 -1.26 -4.14 135.00 132.63 1ie7 s PRO 473 Ca 0.69 0.31 -0.25 0.00 0.04 0.00 0.00 61.00 61.78 1ie7 s PRO 473 Cb -0.22 -3.40 -0.00 0.00 0.04 0.00 0.00 34.50 30.92 1ie7 s PRO 473 CO 0.39 0.26 0.86 0.08 0.04 0.00 0.00 177.00 178.63 1ie7 s VAL 474 N 0.34 4.79 0.18 -0.36 1.01 -1.26 -3.86 120.40 121.23 1ie7 s VAL 474 Ca 0.22 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 63.69 1ie7 s VAL 474 Cb -0.14 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1ie7 s VAL 474 CO 0.08 -0.13 0.32 0.00 0.00 0.00 0.00 175.10 175.37 1ie7 s MET 475 N 2.95 1.22 0.17 2.72 0.23 -0.64 -4.84 119.30 121.10 1ie7 s MET 475 Ca 0.36 -1.18 -0.30 0.00 -1.03 0.00 0.00 55.69 53.54 1ie7 s MET 475 Cb -0.15 0.39 -0.08 0.00 -1.53 0.00 0.00 34.83 33.46 1ie7 s MET 475 CO 0.08 -0.46 1.32 0.20 -2.03 0.00 0.00 175.02 174.14 1ie7 s GLY 476 N -2.97 2.33 -0.03 3.16 0.00 -1.26 -1.93 107.32 106.62 1ie7 s GLY 476 Ca 0.18 1.10 -0.06 0.00 0.00 0.00 0.00 44.72 45.93 1ie7 s GLY 476 CO 0.01 2.14 0.15 0.50 0.00 0.00 0.00 173.10 175.91 1ie7 s ARG 477 N 0.26 0.33 0.23 2.90 0.52 -0.18 -4.98 118.95 118.03 1ie7 s ARG 477 Ca 0.59 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.44 1ie7 s ARG 477 Cb -0.36 0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.16 1ie7 s ARG 477 CO 0.36 -0.07 1.26 1.03 0.02 0.00 0.00 175.30 177.90 1ie7 s ARG 478 N -0.60 4.43 0.00 3.54 0.52 -1.26 -1.58 118.95 124.01 1ie7 s ARG 478 Ca -0.07 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.16 1ie7 s ARG 478 Cb -0.04 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1ie7 s ARG 478 CO 0.01 -0.15 0.00 -1.33 0.02 0.00 0.00 175.30 173.85 1ie7 n MET 479 N 2.05 2.36 0.28 3.54 2.81 0.20 -4.92 117.12 123.45 1ie7 n MET 479 Ca 0.04 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.08 1ie7 n MET 479 Cb 0.43 0.00 0.79 0.00 -0.71 0.00 0.00 33.22 33.73 1ie7 n MET 479 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1ie7 h TYR 480 N 0.15 0.00 -0.26 2.03 0.05 -1.87 -1.66 116.97 115.42 1ie7 h TYR 480 Ca 0.00 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.85 1ie7 h TYR 480 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1ie7 h TYR 480 CO 0.00 0.07 0.23 0.78 -1.05 0.00 0.00 178.16 178.20 1ie7 h GLY 481 N 1.13 0.00 0.34 3.88 0.00 -1.75 -1.74 103.07 104.93 1ie7 h GLY 481 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ie7 h GLY 481 CO 0.01 0.00 -0.42 -1.30 0.00 0.00 0.00 176.54 174.83 1ie7 n THR 482 N -4.03 0.00 -3.71 4.70 -2.24 -0.62 -2.61 114.28 105.77 1ie7 n THR 482 Ca 0.03 -0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.36 1ie7 n THR 482 Cb 0.38 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 1ie7 n THR 482 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ie7 s VAL 483 N -2.70 5.27 0.00 2.28 1.01 -0.66 -4.56 120.40 121.03 1ie7 s VAL 483 Ca 0.18 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1ie7 s VAL 483 Cb 0.18 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1ie7 s VAL 483 CO 0.61 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.80 1ie7 n GLY 484 N 1.48 2.50 0.33 4.51 0.00 -1.26 -2.12 105.19 110.63 1ie7 n GLY 484 Ca -0.14 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1ie7 n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ie7 n ASP 485 N 2.83 1.05 0.22 1.61 8.00 -1.26 -3.71 116.55 125.29 1ie7 n ASP 485 Ca 0.00 -1.26 0.12 0.00 0.71 0.00 0.00 54.79 54.36 1ie7 n ASP 485 Cb 0.00 0.01 0.34 0.00 -0.02 0.00 0.00 41.12 41.44 1ie7 n ASP 485 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ie7 h LEU 486 N 1.60 0.00 -2.35 0.64 5.85 -1.70 -1.27 115.31 118.09 1ie7 h LEU 486 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ie7 h LEU 486 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1ie7 h LEU 486 CO 0.00 0.12 0.04 -0.29 -0.34 0.00 0.00 178.44 177.97 1ie7 h ILE 487 N 0.00 0.59 0.02 4.05 2.10 -1.58 -1.78 117.51 120.92 1ie7 h ILE 487 Ca -0.00 0.00 -0.24 0.00 1.08 0.00 0.00 64.86 65.70 1ie7 h ILE 487 Cb 0.88 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 1ie7 h ILE 487 CO 0.02 0.00 -1.00 0.45 -1.08 0.00 0.00 178.15 176.54 1ie7 h HIS 488 N 0.00 0.61 0.00 2.19 3.86 -1.50 -3.27 115.15 117.04 1ie7 h HIS 488 Ca 0.02 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1ie7 h HIS 488 Cb 0.10 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1ie7 h HIS 488 CO 0.00 1.18 -0.42 -0.44 0.86 0.00 0.00 177.93 179.11 1ie7 h ASP 489 N 0.21 0.00 -0.03 2.45 3.32 -1.44 -2.68 116.42 118.24 1ie7 h ASP 489 Ca -0.09 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1ie7 h ASP 489 Cb 1.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.20 1ie7 h ASP 489 CO 0.17 0.05 -0.01 0.35 -1.72 0.00 0.00 179.24 178.08 1ie7 n THR 490 N -2.33 0.00 -4.09 0.35 -2.24 -0.79 -4.85 114.28 100.33 1ie7 n THR 490 Ca 0.04 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 1ie7 n THR 490 Cb 0.46 1.48 -0.12 0.00 -2.10 0.00 0.00 70.33 70.06 1ie7 n THR 490 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ie7 s ASN 491 N -1.97 0.99 -0.14 3.42 0.01 -1.23 -3.41 114.94 112.61 1ie7 s ASN 491 Ca 0.27 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 1ie7 s ASN 491 Cb 0.20 0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.86 1ie7 s ASN 491 CO 0.30 -0.16 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.95 1ie7 s ILE 492 N -1.29 2.84 -0.42 0.60 1.01 -1.26 -2.41 121.20 120.27 1ie7 s ILE 492 Ca -0.08 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.66 1ie7 s ILE 492 Cb -0.10 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.21 1ie7 s ILE 492 CO 0.01 0.52 0.51 -0.89 0.00 0.00 0.00 174.94 175.09 1ie7 s THR 493 N 0.53 5.00 0.01 2.92 2.01 -0.16 -1.36 115.64 124.57 1ie7 s THR 493 Ca -0.10 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.47 1ie7 s THR 493 Cb -0.16 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1ie7 s THR 493 CO 0.04 -0.48 0.84 -0.36 -0.69 0.00 0.00 174.62 173.97 1ie7 s PHE 494 N 2.38 3.67 0.04 4.92 0.08 -0.27 -1.02 117.98 127.79 1ie7 s PHE 494 Ca 0.16 1.52 -0.02 0.00 0.12 0.00 0.00 56.93 58.71 1ie7 s PHE 494 Cb -0.16 -2.94 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 1ie7 s PHE 494 CO 0.15 0.12 0.00 -1.64 -0.10 0.00 0.00 175.22 173.76 1ie7 s MET 495 N 0.54 0.55 0.75 0.44 -1.94 -0.53 -4.42 119.30 114.69 1ie7 s MET 495 Ca 0.43 -0.99 -0.14 0.00 -1.71 0.00 0.00 55.69 53.29 1ie7 s MET 495 Cb -0.20 0.20 0.05 0.00 2.01 0.00 0.00 34.83 36.89 1ie7 s MET 495 CO 0.24 -0.11 1.18 -1.54 -0.01 0.00 0.00 175.02 174.78 1ie7 s SER 496 N -2.45 4.09 0.25 3.03 1.04 -1.09 -1.47 113.70 117.10 1ie7 s SER 496 Ca -0.00 2.27 -0.05 0.00 0.48 0.00 0.00 55.95 58.65 1ie7 s SER 496 Cb 0.02 -2.58 0.31 0.00 0.10 0.00 0.00 66.02 63.87 1ie7 s SER 496 CO -0.07 -2.33 1.89 0.11 0.98 0.00 0.00 173.24 173.82 1ie7 h LYS 497 N -0.55 1.15 -0.46 4.02 1.57 -1.81 -2.42 116.57 118.07 1ie7 h LYS 497 Ca -0.47 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.13 1ie7 h LYS 497 Cb 1.28 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1ie7 h LYS 497 CO 0.49 0.76 -0.15 0.66 -0.57 0.00 0.00 179.45 180.64 1ie7 h SER 498 N 1.18 0.92 -0.90 0.86 4.64 -1.88 -0.48 113.55 117.90 1ie7 h SER 498 Ca 0.38 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ie7 h SER 498 Cb 0.01 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.81 1ie7 h SER 498 CO -0.13 1.09 0.48 0.77 -0.87 0.00 0.00 176.83 178.18 1ie7 h SER 499 N 0.75 1.13 -0.09 4.97 4.64 -1.65 0.05 113.55 123.35 1ie7 h SER 499 Ca 0.11 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ie7 h SER 499 Cb 0.70 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1ie7 h SER 499 CO 0.05 0.91 0.06 0.40 -0.87 0.00 0.00 176.83 177.38 1ie7 h ILE 500 N 1.26 1.05 -0.73 0.95 2.04 -1.30 -1.58 117.51 119.20 1ie7 h ILE 500 Ca 0.32 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 66.08 1ie7 h ILE 500 Cb 0.04 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1ie7 h ILE 500 CO -0.05 0.04 0.48 -0.61 0.00 0.00 0.00 178.15 178.01 1ie7 h GLN 501 N 0.10 0.91 0.00 2.37 4.15 -0.78 -1.85 115.11 120.02 1ie7 h GLN 501 Ca 0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1ie7 h GLN 501 Cb 0.02 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1ie7 h GLN 501 CO -0.01 0.60 0.00 1.04 -1.93 0.00 0.00 178.83 178.53 1ie7 n GLN 502 N -4.44 0.82 -3.13 1.69 6.02 -0.02 -4.92 117.38 113.41 1ie7 n GLN 502 Ca 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.93 1ie7 n GLN 502 Cb 0.08 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.90 1ie7 n GLN 502 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ie7 n GLY 503 N 0.64 -0.10 0.30 1.08 0.00 -0.69 -4.96 105.19 101.47 1ie7 n GLY 503 Ca 0.20 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1ie7 n GLY 503 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ie7 h VAL 504 N -1.61 1.26 -0.49 1.61 2.07 -1.51 -1.67 116.25 115.91 1ie7 h VAL 504 Ca -0.40 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.09 1ie7 h VAL 504 Cb 1.25 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1ie7 h VAL 504 CO 0.37 0.40 0.22 -0.65 0.02 0.00 0.00 177.57 177.93 1ie7 h PRO 505 N 0.97 0.42 -0.00 1.57 0.11 -1.90 0.50 132.00 133.67 1ie7 h PRO 505 Ca 0.19 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.10 1ie7 h PRO 505 Cb 0.49 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1ie7 h PRO 505 CO 0.02 0.28 -0.78 0.00 -0.21 0.00 0.00 178.00 177.31 1ie7 h ALA 506 N 1.28 0.70 -0.56 -0.75 0.00 -1.84 0.84 119.26 118.94 1ie7 h ALA 506 Ca 0.22 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ie7 h ALA 506 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ie7 h ALA 506 CO -0.18 0.96 0.36 -0.22 0.00 0.00 0.00 179.25 180.17 1ie7 h LYS 507 N 0.01 0.75 -0.00 0.00 3.64 -0.34 -2.54 116.57 118.09 1ie7 h LYS 507 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ie7 h LYS 507 Cb 1.38 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1ie7 h LYS 507 CO 0.10 0.51 -0.19 1.28 -2.27 0.00 0.00 179.45 178.89 1ie7 n LEU 508 N -4.68 0.23 -1.22 5.20 4.77 0.07 -4.97 117.00 116.41 1ie7 n LEU 508 Ca 0.03 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1ie7 n LEU 508 Cb 0.03 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1ie7 n LEU 508 CO 0.36 0.05 -0.01 0.61 -1.33 0.00 0.00 177.39 177.07 1ie7 n GLY 509 N 1.47 0.22 3.72 -0.72 0.00 -0.28 -4.97 105.19 104.63 1ie7 n GLY 509 Ca 0.07 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1ie7 n GLY 509 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ie7 s LEU 510 N -2.70 4.38 0.00 0.99 1.43 0.13 -4.92 118.68 118.00 1ie7 s LEU 510 Ca 0.10 1.98 0.14 0.00 -1.03 0.00 0.00 54.13 55.32 1ie7 s LEU 510 Cb -0.04 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 1ie7 s LEU 510 CO 0.12 -0.42 0.69 0.29 0.23 0.00 0.00 176.35 177.26 1ie7 n LYS 511 N 3.75 2.15 -1.03 1.70 4.76 -1.26 -4.77 118.16 123.46 1ie7 n LYS 511 Ca 0.08 -0.40 -0.31 0.00 -2.87 0.00 0.00 58.31 54.81 1ie7 n LYS 511 Cb 0.47 -1.18 0.13 0.00 -1.84 0.00 0.00 35.03 32.61 1ie7 n LYS 511 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ie7 s ARG 512 N -1.98 1.63 0.36 1.97 0.52 -1.26 -4.68 118.95 115.50 1ie7 s ARG 512 Ca 0.09 1.26 -0.28 0.00 -0.52 0.00 0.00 55.73 56.28 1ie7 s ARG 512 Cb 0.11 -1.82 -0.11 0.00 0.52 0.00 0.00 34.95 33.65 1ie7 s ARG 512 CO 0.45 -2.11 1.45 1.03 0.02 0.00 0.00 175.30 176.14 1ie7 s ARG 513 N -4.80 4.16 -0.20 3.54 0.52 -1.01 -4.82 118.95 116.34 1ie7 s ARG 513 Ca 0.64 2.49 -0.07 0.00 -0.52 0.00 0.00 55.73 58.27 1ie7 s ARG 513 Cb -0.19 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 1ie7 s ARG 513 CO 0.57 -0.46 0.06 0.42 0.02 0.00 0.00 175.30 175.91 1ie7 s ILE 514 N -1.07 4.63 0.02 1.52 -1.09 -1.26 -0.99 121.20 122.96 1ie7 s ILE 514 Ca 0.52 -0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.89 1ie7 s ILE 514 Cb -0.45 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1ie7 s ILE 514 CO 0.60 0.43 -0.02 -0.83 -1.23 0.00 0.00 174.94 173.89 1ie7 s GLY 515 N 0.66 1.84 -0.24 6.18 0.00 -0.18 -4.95 107.32 110.64 1ie7 s GLY 515 Ca 0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.64 1ie7 s GLY 515 CO 0.02 -0.90 0.14 -1.59 0.00 0.00 0.00 173.10 170.76 1ie7 s THR 516 N -1.10 5.14 0.12 0.90 2.01 -1.26 -1.46 115.64 119.98 1ie7 s THR 516 Ca 0.20 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1ie7 s THR 516 Cb -0.11 -3.39 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 1ie7 s THR 516 CO 0.11 0.35 1.17 -0.69 -0.69 0.00 0.00 174.62 174.87 1ie7 s VAL 517 N 1.11 3.90 0.13 3.82 1.01 -0.54 -4.77 120.40 125.06 1ie7 s VAL 517 Ca 0.07 1.48 -0.24 0.00 0.00 0.00 0.00 61.98 63.28 1ie7 s VAL 517 Cb -0.14 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1ie7 s VAL 517 CO 0.05 0.18 0.73 -1.59 0.00 0.00 0.00 175.10 174.46 1ie7 s LYS 518 N 0.41 1.23 -1.15 2.72 -2.85 -0.30 -4.23 119.74 115.57 1ie7 s LYS 518 Ca 0.55 -0.53 -0.03 0.00 -1.00 0.00 0.00 55.97 54.96 1ie7 s LYS 518 Cb -0.30 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 1ie7 s LYS 518 CO 0.32 -0.55 0.94 0.09 0.10 0.00 0.00 175.35 176.25 1ie7 n ASN 519 N -0.37 -3.87 -0.01 0.03 3.02 -1.26 -4.36 115.26 108.45 1ie7 n ASN 519 Ca -0.12 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1ie7 n ASN 519 Cb 0.63 -5.00 0.01 0.00 -0.61 0.00 0.00 39.78 34.80 1ie7 n ASN 519 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ie7 n ARG 521 N -0.45 0.70 -2.31 0.00 5.12 -1.26 -4.50 116.66 113.96 1ie7 n ARG 521 Ca 0.01 -0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.74 1ie7 n ARG 521 Cb 0.32 -1.41 0.03 0.00 -1.16 0.00 0.00 32.46 30.24 1ie7 n ARG 521 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1ie7 n ASN 522 N -1.59 3.75 -4.73 0.55 3.02 -1.26 -4.64 115.26 110.36 1ie7 n ASN 522 Ca 0.02 -3.14 -0.26 0.00 -0.03 0.00 0.00 54.58 51.17 1ie7 n ASN 522 Cb 0.34 -0.39 -0.08 0.00 -0.61 0.00 0.00 39.78 39.04 1ie7 n ASN 522 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1ie7 s ILE 523 N -4.32 2.11 0.00 2.41 -4.36 -1.26 -5.12 121.20 110.66 1ie7 s ILE 523 Ca 0.43 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.05 1ie7 s ILE 523 Cb 0.38 -2.88 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1ie7 s ILE 523 CO 0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.80 1ie7 n GLY 524 N -1.22 2.27 0.43 6.27 0.00 -1.26 -4.83 105.19 106.85 1ie7 n GLY 524 Ca -0.03 -0.96 0.24 0.00 0.00 0.00 0.00 46.02 45.26 1ie7 n GLY 524 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ie7 h LYS 525 N 0.00 0.13 0.00 1.61 1.63 -1.28 -0.12 116.57 118.54 1ie7 h LYS 525 Ca 0.00 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1ie7 h LYS 525 Cb 0.00 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1ie7 h LYS 525 CO 0.00 0.08 -0.03 1.57 -3.45 0.00 0.00 179.45 177.63 1ie7 h LYS 526 N 0.13 0.00 -0.01 1.90 2.10 -1.81 -2.07 116.57 116.81 1ie7 h LYS 526 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1ie7 h LYS 526 Cb 1.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 1ie7 h LYS 526 CO -0.06 0.03 -0.02 -0.25 -2.00 0.00 0.00 179.45 177.15 1ie7 n ASP 527 N -3.19 1.05 -4.60 7.07 8.00 -0.06 -4.84 116.55 119.98 1ie7 n ASP 527 Ca -0.01 -1.30 -0.43 0.00 0.71 0.00 0.00 54.79 53.76 1ie7 n ASP 527 Cb 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 1ie7 n ASP 527 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ie7 s MET 528 N -2.05 3.75 0.14 -1.24 -1.94 -0.78 -4.99 119.30 112.20 1ie7 s MET 528 Ca 0.39 0.51 -0.32 0.00 -1.71 0.00 0.00 55.69 54.56 1ie7 s MET 528 Cb 0.21 -3.85 -0.12 0.00 2.01 0.00 0.00 34.83 33.08 1ie7 s MET 528 CO 0.36 -1.12 1.76 1.63 -0.01 0.00 0.00 175.02 177.64 1ie7 n LYS 529 N 7.14 2.61 -0.96 2.03 4.76 -1.26 -2.36 118.16 130.12 1ie7 n LYS 529 Ca 0.08 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.47 1ie7 n LYS 529 Cb 0.48 -2.80 0.00 0.00 -1.84 0.00 0.00 35.03 30.87 1ie7 n LYS 529 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1ie7 n TRP 530 N 4.83 0.00 -2.85 2.13 7.02 -1.26 -4.78 117.44 122.53 1ie7 n TRP 530 Ca 0.18 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.54 1ie7 n TRP 530 Cb 0.34 -1.52 0.05 0.00 -2.42 0.00 0.00 31.31 27.76 1ie7 n TRP 530 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1ie7 n ASN 531 N -0.70 -0.67 -0.42 -0.99 3.02 -1.00 -4.74 115.26 109.77 1ie7 n ASN 531 Ca 0.00 -3.10 0.07 0.00 -0.03 0.00 0.00 54.58 51.53 1ie7 n ASN 531 Cb 0.35 0.58 0.18 0.00 -0.61 0.00 0.00 39.78 40.28 1ie7 n ASN 531 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ie7 n ASP 532 N 0.09 2.45 -4.67 6.41 5.75 -1.18 -4.57 116.55 120.83 1ie7 n ASP 532 Ca 0.11 -3.33 -0.42 0.00 -0.01 0.00 0.00 54.79 51.13 1ie7 n ASP 532 Cb 0.74 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 1ie7 n ASP 532 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ie7 s VAL 533 N -2.99 4.79 -0.04 2.12 1.01 -1.10 -4.46 120.40 119.73 1ie7 s VAL 533 Ca 0.36 1.91 -0.01 0.00 0.00 0.00 0.00 61.98 64.25 1ie7 s VAL 533 Cb 0.32 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1ie7 s VAL 533 CO 0.01 -0.04 0.03 0.42 0.00 0.00 0.00 175.10 175.53 1ie7 s THR 534 N 2.37 4.46 0.15 3.92 -4.23 -1.26 -4.65 115.64 116.40 1ie7 s THR 534 Ca 0.44 -0.38 -0.25 0.00 -1.18 0.00 0.00 61.69 60.32 1ie7 s THR 534 Cb -0.17 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1ie7 s THR 534 CO 0.13 0.46 0.97 0.28 -0.54 0.00 0.00 174.62 175.92 1ie7 s THR 535 N -1.05 0.00 -0.54 3.99 -1.32 -0.94 -5.05 115.64 110.73 1ie7 s THR 535 Ca 0.18 -0.65 -0.20 0.00 -1.21 0.00 0.00 61.69 59.81 1ie7 s THR 535 Cb -0.12 -1.99 0.07 0.00 -1.51 0.00 0.00 72.50 68.95 1ie7 s THR 535 CO 0.08 0.00 0.70 -0.62 -2.21 0.00 0.00 174.62 172.57 1ie7 s ASP 536 N -2.94 6.22 -0.25 8.08 -1.08 -1.26 -4.34 116.67 121.10 1ie7 s ASP 536 Ca 0.12 -0.97 -0.21 0.00 -0.52 0.00 0.00 52.55 50.98 1ie7 s ASP 536 Cb -0.01 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 39.12 1ie7 s ASP 536 CO 0.02 -1.01 0.66 -0.63 0.52 0.00 0.00 175.17 174.73 1ie7 s ILE 537 N 2.87 4.96 -0.18 4.11 1.01 -1.26 -4.20 121.20 128.51 1ie7 s ILE 537 Ca 0.16 1.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.95 1ie7 s ILE 537 Cb -0.19 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1ie7 s ILE 537 CO 0.11 0.00 0.01 -0.62 0.00 0.00 0.00 174.94 174.45 1ie7 s ASP 538 N 1.46 5.09 -0.27 3.58 2.15 0.15 -4.74 116.67 124.08 1ie7 s ASP 538 Ca 0.27 -0.09 -0.02 0.00 0.43 0.00 0.00 52.55 53.15 1ie7 s ASP 538 Cb -0.15 -1.86 0.04 0.00 -0.30 0.00 0.00 42.92 40.64 1ie7 s ASP 538 CO 0.08 0.13 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.55 1ie7 s ILE 539 N 0.60 2.92 0.04 4.11 1.01 -1.26 -0.89 121.20 127.72 1ie7 s ILE 539 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 60.65 59.13 1ie7 s ILE 539 Cb -0.14 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 1ie7 s ILE 539 CO 0.02 0.04 1.68 0.21 0.00 0.00 0.00 174.94 176.89 1ie7 s ASN 540 N 1.28 6.61 0.46 3.58 3.84 -0.03 -4.87 114.94 125.81 1ie7 s ASN 540 Ca -0.03 2.44 0.25 0.00 0.21 0.00 0.00 52.86 55.73 1ie7 s ASN 540 Cb -0.18 -2.55 1.07 0.00 -0.55 0.00 0.00 41.25 39.03 1ie7 s ASN 540 CO -0.03 -0.91 1.89 1.55 -2.79 0.00 0.00 177.10 176.82 1ie7 h PRO 541 N 8.83 0.00 0.00 0.43 0.13 -1.95 0.33 132.00 139.77 1ie7 h PRO 541 Ca -0.42 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 1ie7 h PRO 541 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1ie7 h PRO 541 CO 0.94 0.20 -1.04 0.93 -0.23 0.00 0.00 178.00 178.79 1ie7 h GLU 542 N 0.00 0.00 0.00 0.86 5.08 -1.99 -3.42 114.58 115.12 1ie7 h GLU 542 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1ie7 h GLU 542 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1ie7 h GLU 542 CO 0.03 0.89 -1.47 0.25 -1.00 0.00 0.00 179.01 177.71 1ie7 n THR 543 N -4.47 0.51 -1.05 1.13 -2.24 -1.23 -4.98 114.28 101.96 1ie7 n THR 543 Ca -0.27 -0.56 -0.02 0.00 -2.27 0.00 0.00 64.05 60.93 1ie7 n THR 543 Cb 0.61 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1ie7 n THR 543 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ie7 n TYR 544 N -2.56 0.00 -2.13 4.78 4.01 0.12 -4.92 117.16 116.45 1ie7 n TYR 544 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.30 1ie7 n TYR 544 Cb 0.62 -0.73 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 1ie7 n TYR 544 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1ie7 s GLU 545 N -1.11 4.11 -0.16 -0.72 2.02 -1.26 -4.40 118.70 117.17 1ie7 s GLU 545 Ca 0.00 2.09 -0.04 0.00 0.02 0.00 0.00 54.97 57.04 1ie7 s GLU 545 Cb 0.00 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1ie7 s GLU 545 CO 0.00 -0.36 -0.02 0.08 0.02 0.00 0.00 175.26 174.98 1ie7 s VAL 546 N -1.26 3.99 -0.07 2.63 1.01 -1.26 -0.85 120.40 124.59 1ie7 s VAL 546 Ca 0.54 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1ie7 s VAL 546 Cb -0.37 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1ie7 s VAL 546 CO 0.48 0.48 -0.12 -0.54 0.00 0.00 0.00 175.10 175.40 1ie7 s LYS 547 N 0.42 1.73 -0.14 2.72 1.02 -0.07 0.12 119.74 125.54 1ie7 s LYS 547 Ca -0.03 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1ie7 s LYS 547 Cb -0.14 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.74 1ie7 s LYS 547 CO 0.03 0.01 -0.17 0.08 -0.92 0.00 0.00 175.35 174.37 1ie7 s VAL 548 N 0.74 1.71 -1.25 3.17 1.01 -0.70 -0.68 120.40 124.41 1ie7 s VAL 548 Ca -0.13 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 1ie7 s VAL 548 Cb -0.16 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1ie7 s VAL 548 CO 0.03 0.48 0.74 0.47 0.00 0.00 0.00 175.10 176.82 1ie7 n ASP 549 N 4.44 -5.59 0.00 3.32 8.00 -1.26 -2.01 116.55 123.45 1ie7 n ASP 549 Ca -0.19 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1ie7 n ASP 549 Cb 0.51 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 1ie7 n ASP 549 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ie7 n GLY 550 N -1.58 0.90 3.58 0.44 0.00 -1.26 -5.00 105.19 102.26 1ie7 n GLY 550 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1ie7 n GLY 550 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ie7 s GLU 551 N -0.23 2.97 0.26 1.61 2.02 -0.85 -5.06 118.70 119.41 1ie7 s GLU 551 Ca 0.00 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.17 1ie7 s GLU 551 Cb 0.00 -2.68 -0.10 0.00 0.10 0.00 0.00 34.13 31.45 1ie7 s GLU 551 CO 0.00 0.59 1.31 0.08 0.02 0.00 0.00 175.26 177.26 1ie7 s VAL 552 N -0.59 2.97 -0.40 2.63 1.01 -1.26 -1.73 120.40 123.04 1ie7 s VAL 552 Ca 0.09 0.87 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 1ie7 s VAL 552 Cb -0.12 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1ie7 s VAL 552 CO 0.02 0.16 0.26 -0.76 0.00 0.00 0.00 175.10 174.78 1ie7 s LEU 553 N -0.83 4.98 -0.00 3.92 1.43 0.32 -4.95 118.68 123.55 1ie7 s LEU 553 Ca 0.53 -1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.46 1ie7 s LEU 553 Cb -0.38 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1ie7 s LEU 553 CO 0.44 -0.45 0.17 0.28 0.23 0.00 0.00 176.35 177.01 1ie7 s THR 554 N 1.57 0.07 0.24 5.49 -1.32 -1.26 -4.30 115.64 116.13 1ie7 s THR 554 Ca 0.03 -0.61 -0.12 0.00 -1.21 0.00 0.00 61.69 59.78 1ie7 s THR 554 Cb -0.20 -0.45 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 1ie7 s THR 554 CO 0.07 -0.34 0.44 0.00 -2.21 0.00 0.00 174.62 172.58 1ie7 s GLU 556 N -4.03 3.58 0.47 0.00 0.41 -1.26 -4.89 118.70 112.98 1ie7 s GLU 556 Ca 0.24 -0.09 -0.21 0.00 -0.41 0.00 0.00 54.97 54.50 1ie7 s GLU 556 Cb 0.00 -2.65 -0.09 0.00 -1.78 0.00 0.00 34.13 29.62 1ie7 s GLU 556 CO 0.09 0.19 1.03 -1.25 -0.49 0.00 0.00 175.26 174.83 1ie7 s PRO 557 N -3.79 3.89 0.15 0.39 0.04 -1.26 -4.94 135.00 129.48 1ie7 s PRO 557 Ca 0.43 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.87 1ie7 s PRO 557 Cb -0.10 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1ie7 s PRO 557 CO 0.32 -0.35 0.19 0.14 0.04 0.00 0.00 177.00 177.34 1ie7 s VAL 558 N -1.94 4.82 -0.27 -0.36 -7.23 -0.98 -4.70 120.40 109.74 1ie7 s VAL 558 Ca 0.65 -0.89 0.21 0.00 -1.81 0.00 0.00 61.98 60.14 1ie7 s VAL 558 Cb -0.17 -3.45 0.08 0.00 0.56 0.00 0.00 36.38 33.40 1ie7 s VAL 558 CO 0.21 -0.08 1.20 0.11 -0.31 0.00 0.00 175.10 176.23 1ie7 h LYS 559 N 2.40 0.00 -3.59 4.82 1.57 -1.96 -2.12 116.57 117.70 1ie7 h LYS 559 Ca -0.48 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 1ie7 h LYS 559 Cb 1.19 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.31 1ie7 h LYS 559 CO 0.66 0.08 -0.48 -2.00 -0.57 0.00 0.00 179.45 177.14 1ie7 s GLU 560 N -3.23 0.55 0.06 3.15 2.12 -1.26 -4.93 118.70 115.16 1ie7 s GLU 560 Ca 0.02 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.86 1ie7 s GLU 560 Cb 0.08 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 1ie7 s GLU 560 CO 0.76 -0.14 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.73 1ie7 s LEU 561 N -1.68 2.29 1.06 2.70 1.43 -1.26 -5.11 118.68 118.11 1ie7 s LEU 561 Ca -0.11 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 1ie7 s LEU 561 Cb -0.05 -0.31 0.23 0.00 0.03 0.00 0.00 46.19 46.09 1ie7 s LEU 561 CO -0.01 -0.17 1.18 -2.16 0.23 0.00 0.00 176.35 175.42 1ie7 s PRO 562 N -1.85 -0.10 -1.42 1.29 0.04 -1.26 -4.24 135.00 127.45 1ie7 s PRO 562 Ca -0.05 -0.07 -0.11 0.00 0.04 0.00 0.00 61.00 60.82 1ie7 s PRO 562 Cb -0.09 -1.73 0.04 0.00 0.04 0.00 0.00 34.50 32.76 1ie7 s PRO 562 CO 0.01 -2.97 1.11 -1.33 0.04 0.00 0.00 177.00 173.87 1ie7 n MET 563 N -4.23 -7.09 0.00 4.56 2.81 -1.26 -4.85 117.12 107.06 1ie7 n MET 563 Ca 0.12 0.74 0.00 0.00 -1.81 0.00 0.00 57.70 56.75 1ie7 n MET 563 Cb 0.59 -5.74 0.00 0.00 -0.71 0.00 0.00 33.22 27.36 1ie7 n MET 563 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ie7 n ALA 564 N -4.89 0.00 0.40 3.04 0.00 -1.26 -4.96 120.51 112.84 1ie7 n ALA 564 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1ie7 n ALA 564 Cb 0.55 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.50 1ie7 n ALA 564 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ie7 h GLN 565 N 0.00 0.00 0.00 0.00 4.20 -1.89 -0.97 115.11 116.45 1ie7 h GLN 565 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ie7 h GLN 565 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ie7 h GLN 565 CO 0.00 0.00 -0.14 -0.09 -0.67 0.00 0.00 178.83 177.93 1ie7 h ARG 566 N 0.00 0.00 0.00 1.46 2.43 -1.94 -3.37 114.38 112.96 1ie7 h ARG 566 Ca 0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1ie7 h ARG 566 Cb 0.45 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1ie7 h ARG 566 CO 0.00 0.14 -1.80 0.66 -1.51 0.00 0.00 179.97 177.46 1ie7 n TYR 567 N -3.32 0.00 -4.02 2.20 4.01 -0.39 -5.04 117.16 110.61 1ie7 n TYR 567 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 1ie7 n TYR 567 Cb 0.37 -0.56 -0.07 0.00 -0.31 0.00 0.00 39.34 38.77 1ie7 n TYR 567 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1ie7 s PHE 568 N -2.37 3.45 0.20 -0.72 0.08 -1.11 -4.99 117.98 112.52 1ie7 s PHE 568 Ca -0.06 0.41 0.09 0.00 0.12 0.00 0.00 56.93 57.49 1ie7 s PHE 568 Cb 0.04 -1.91 0.11 0.00 -0.57 0.00 0.00 43.02 40.69 1ie7 s PHE 568 CO 0.50 0.62 1.47 1.25 -0.10 0.00 0.00 175.22 178.96 1ie7 h LEU 569 N 5.18 0.00 -0.61 -0.37 5.85 -1.93 -3.47 115.31 119.96 1ie7 h LEU 569 Ca -0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1ie7 h LEU 569 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1ie7 h LEU 569 CO 0.58 0.78 0.00 0.49 -0.34 0.00 0.00 178.44 179.95