#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ie8 s ALA 2 N 0.00 3.34 0.49 2.98 0.00 -0.36 -4.97 121.76 123.24 2ie8 s ALA 2 Ca 0.00 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.60 2ie8 s ALA 2 Cb 0.00 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.97 2ie8 s ALA 2 CO 0.00 0.21 0.35 0.25 0.00 0.00 0.00 175.76 176.57 2ie8 n THR 3 N 1.45 0.00 0.31 0.00 -2.24 -1.26 -0.65 114.28 111.88 2ie8 n THR 3 Ca -0.02 -1.98 0.17 0.00 -2.27 0.00 0.00 64.05 59.95 2ie8 n THR 3 Cb 0.47 -0.04 0.76 0.00 -2.10 0.00 0.00 70.33 69.42 2ie8 n THR 3 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ie8 h LEU 4 N 0.00 0.00 0.00 3.22 3.38 -1.89 -1.47 115.31 118.55 2ie8 h LEU 4 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ie8 h LEU 4 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2ie8 h LEU 4 CO 0.50 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.21 2ie8 n LEU 5 N -2.83 0.00 -0.65 1.67 4.77 -1.26 -2.50 117.00 116.20 2ie8 n LEU 5 Ca -0.00 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 2ie8 n LEU 5 Cb 0.21 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.02 2ie8 n LEU 5 CO 0.22 -0.08 0.61 0.47 -1.33 0.00 0.00 177.39 177.28 2ie8 n ASP 6 N -1.49 2.17 -4.33 -1.43 8.00 -0.55 -4.89 116.55 114.03 2ie8 n ASP 6 Ca 0.06 -1.63 -0.33 0.00 0.71 0.00 0.00 54.79 53.61 2ie8 n ASP 6 Cb 0.28 0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 2ie8 n ASP 6 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2ie8 s LEU 7 N -2.18 2.51 -0.46 0.64 2.96 -1.04 -5.01 118.68 116.09 2ie8 s LEU 7 Ca 0.27 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.66 2ie8 s LEU 7 Cb 0.20 -1.53 0.08 0.00 0.50 0.00 0.00 46.19 45.43 2ie8 s LEU 7 CO 0.40 0.19 0.35 -0.62 -1.32 0.00 0.00 176.35 175.35 2ie8 s ASP 8 N 0.20 5.96 0.00 3.68 2.15 -1.26 -4.96 116.67 122.45 2ie8 s ASP 8 Ca -0.10 -1.42 0.27 0.00 0.43 0.00 0.00 52.55 51.73 2ie8 s ASP 8 Cb -0.16 -2.11 1.51 0.00 -0.30 0.00 0.00 42.92 41.86 2ie8 s ASP 8 CO 0.06 -0.62 1.97 -0.81 -0.17 0.00 0.00 175.17 175.59 2ie8 n PRO 9 N 5.10 0.63 -1.68 4.34 -0.04 -1.26 -4.85 135.00 137.24 2ie8 n PRO 9 Ca -0.12 0.02 -0.47 0.00 -0.04 0.00 0.00 63.50 62.89 2ie8 n PRO 9 Cb 0.43 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2ie8 n PRO 9 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2ie8 n LYS 10 N -1.14 2.27 -0.86 0.54 3.00 -1.13 -1.70 118.16 119.13 2ie8 n LYS 10 Ca 0.17 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 2ie8 n LYS 10 Cb 0.16 -2.69 0.00 0.00 0.00 0.00 0.00 35.03 32.50 2ie8 n LYS 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ie8 n GLY 11 N 4.37 0.49 3.96 3.14 0.00 -0.70 -4.97 105.19 111.48 2ie8 n GLY 11 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2ie8 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ie8 s LYS 12 N -0.55 3.45 -0.31 1.61 1.02 -0.69 -4.98 119.74 119.29 2ie8 s LYS 12 Ca 0.00 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.27 2ie8 s LYS 12 Cb 0.00 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 2ie8 s LYS 12 CO 0.00 0.39 0.12 0.50 -0.92 0.00 0.00 175.35 175.44 2ie8 s ARG 13 N -3.91 3.14 -0.23 1.68 3.52 -1.26 -2.19 118.95 119.70 2ie8 s ARG 13 Ca 0.35 -0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 55.04 2ie8 s ARG 13 Cb -0.09 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 2ie8 s ARG 13 CO 0.30 -0.46 0.07 0.08 -0.81 0.00 0.00 175.30 174.48 2ie8 s VAL 14 N 1.54 4.49 -0.13 7.11 1.01 -0.58 -0.58 120.40 133.26 2ie8 s VAL 14 Ca 0.03 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 2ie8 s VAL 14 Cb -0.17 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2ie8 s VAL 14 CO 0.04 0.37 0.77 -0.22 0.00 0.00 0.00 175.10 176.07 2ie8 s LEU 15 N 1.21 4.22 -0.09 3.92 2.96 -0.52 -1.77 118.68 128.61 2ie8 s LEU 15 Ca 0.05 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 55.13 2ie8 s LEU 15 Cb -0.14 -3.16 0.02 0.00 0.50 0.00 0.00 46.19 43.40 2ie8 s LEU 15 CO 0.03 -0.29 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.96 2ie8 s VAL 16 N 1.67 1.19 -0.45 1.68 1.01 -0.01 -1.03 120.40 124.46 2ie8 s VAL 16 Ca 0.37 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2ie8 s VAL 16 Cb -0.17 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2ie8 s VAL 16 CO 0.15 0.38 0.63 -0.60 0.00 0.00 0.00 175.10 175.65 2ie8 s ARG 17 N 0.96 3.24 0.39 2.72 6.06 -0.34 -1.51 118.95 130.48 2ie8 s ARG 17 Ca -0.09 -0.46 0.08 0.00 -2.50 0.00 0.00 55.73 52.76 2ie8 s ARG 17 Cb -0.15 -3.97 -0.04 0.00 0.06 0.00 0.00 34.95 30.85 2ie8 s ARG 17 CO -0.00 -1.03 0.23 0.14 -2.50 0.00 0.00 175.30 172.13 2ie8 s VAL 18 N 2.77 2.68 -0.48 7.11 -7.23 -0.51 -1.05 120.40 123.69 2ie8 s VAL 18 Ca 0.21 -1.59 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 2ie8 s VAL 18 Cb -0.15 -3.00 0.12 0.00 0.56 0.00 0.00 36.38 33.91 2ie8 s VAL 18 CO 0.18 -0.06 0.33 -0.62 -0.31 0.00 0.00 175.10 174.61 2ie8 s ASP 19 N -3.95 5.57 -0.22 4.85 2.15 -1.26 -4.35 116.67 119.46 2ie8 s ASP 19 Ca 0.42 -2.05 0.12 0.00 0.43 0.00 0.00 52.55 51.47 2ie8 s ASP 19 Cb -0.00 -1.95 0.44 0.00 -0.30 0.00 0.00 42.92 41.10 2ie8 s ASP 19 CO 0.24 -0.62 1.30 -1.22 -0.17 0.00 0.00 175.17 174.70 2ie8 n TYR 20 N 4.67 0.41 -2.20 -5.34 0.53 -1.26 -4.65 117.16 109.32 2ie8 n TYR 20 Ca -0.04 -1.43 -0.42 0.00 -1.02 0.00 0.00 57.90 54.99 2ie8 n TYR 20 Cb 0.41 -0.32 -0.00 0.00 -1.03 0.00 0.00 39.34 38.39 2ie8 n TYR 20 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 2ie8 n ASN 21 N -1.13 4.40 -4.87 7.72 5.15 -1.23 -4.86 115.26 120.44 2ie8 n ASN 21 Ca 0.23 -2.87 -0.23 0.00 -0.60 0.00 0.00 54.58 51.11 2ie8 n ASN 21 Cb 0.81 -1.70 -0.04 0.00 -0.53 0.00 0.00 39.78 38.32 2ie8 n ASN 21 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2ie8 s VAL 22 N 4.12 4.73 0.24 3.44 -7.23 -1.26 -4.96 120.40 119.48 2ie8 s VAL 22 Ca 0.52 -1.20 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 2ie8 s VAL 22 Cb 0.08 -3.53 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 2ie8 s VAL 22 CO 0.02 -0.29 1.30 -2.16 -0.31 0.00 0.00 175.10 173.66 2ie8 s PRO 23 N -3.72 4.40 0.03 4.82 0.04 -1.26 -4.93 135.00 134.38 2ie8 s PRO 23 Ca 0.33 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.50 2ie8 s PRO 23 Cb -0.09 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2ie8 s PRO 23 CO 0.26 -0.20 -0.13 0.08 0.04 0.00 0.00 177.00 177.05 2ie8 s VAL 24 N -0.33 1.04 -0.20 -0.36 1.01 -1.26 -0.24 120.40 120.07 2ie8 s VAL 24 Ca 0.54 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2ie8 s VAL 24 Cb -0.37 -0.95 0.08 0.00 0.00 0.00 0.00 36.38 35.14 2ie8 s VAL 24 CO 0.42 0.01 0.45 -1.10 0.00 0.00 0.00 175.10 174.88 2ie8 s GLN 25 N -1.06 0.39 -1.24 2.72 -0.21 -0.21 -4.92 119.66 115.14 2ie8 s GLN 25 Ca 0.01 0.99 -0.02 0.00 0.02 0.00 0.00 55.36 56.36 2ie8 s GLN 25 Cb -0.08 0.22 -0.01 0.00 1.00 0.00 0.00 33.01 34.15 2ie8 s GLN 25 CO 0.01 -0.21 0.82 -0.25 -2.12 0.00 0.00 175.29 173.54 2ie8 n ASP 26 N 4.93 -2.25 -2.16 5.90 8.00 -1.26 -2.37 116.55 127.34 2ie8 n ASP 26 Ca -0.15 -0.76 -0.20 0.00 0.71 0.00 0.00 54.79 54.39 2ie8 n ASP 26 Cb 0.52 -4.45 -0.02 0.00 -0.02 0.00 0.00 41.12 37.16 2ie8 n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ie8 n GLY 27 N -1.41 -0.19 3.10 0.44 0.00 -1.26 -4.99 105.19 100.88 2ie8 n GLY 27 Ca -0.26 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2ie8 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ie8 s LYS 28 N -4.83 0.25 0.27 1.61 -0.14 -1.00 -4.71 119.74 111.19 2ie8 s LYS 28 Ca 0.00 0.46 -0.29 0.00 -1.36 0.00 0.00 55.97 54.77 2ie8 s LYS 28 Cb 0.00 0.01 -0.10 0.00 -1.68 0.00 0.00 37.83 36.06 2ie8 s LYS 28 CO 0.00 -0.10 1.36 0.08 -0.76 0.00 0.00 175.35 175.93 2ie8 s VAL 29 N 0.74 2.78 -0.13 3.17 1.01 -1.26 -1.04 120.40 125.67 2ie8 s VAL 29 Ca -0.05 0.70 0.19 0.00 0.00 0.00 0.00 61.98 62.81 2ie8 s VAL 29 Cb -0.06 -3.45 -0.20 0.00 0.00 0.00 0.00 36.38 32.67 2ie8 s VAL 29 CO -0.05 0.13 0.59 0.00 0.00 0.00 0.00 175.10 175.77 2ie8 n GLN 30 N 1.77 0.64 -3.62 2.72 1.13 0.67 -4.84 117.38 115.86 2ie8 n GLN 30 Ca 0.04 0.07 -0.24 0.00 -1.94 0.00 0.00 57.00 54.93 2ie8 n GLN 30 Cb 0.41 -1.68 -0.17 0.00 0.11 0.00 0.00 30.24 28.92 2ie8 n GLN 30 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2ie8 s ASP 31 N -5.40 1.98 0.00 1.08 -1.08 -1.25 -5.02 116.67 106.97 2ie8 s ASP 31 Ca -0.06 -0.41 0.31 0.00 -0.52 0.00 0.00 52.55 51.87 2ie8 s ASP 31 Cb 0.09 -0.16 1.60 0.00 -1.46 0.00 0.00 42.92 42.99 2ie8 s ASP 31 CO 0.84 -0.32 2.06 -0.62 0.52 0.00 0.00 175.17 177.64 2ie8 n GLU 32 N 5.29 1.09 -0.36 4.34 1.02 -1.26 -4.49 120.64 126.27 2ie8 n GLU 32 Ca -0.06 -0.26 -0.02 0.00 -0.02 0.00 0.00 57.16 56.80 2ie8 n GLU 32 Cb 0.49 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.44 2ie8 n GLU 32 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2ie8 h THR 33 N 0.63 0.03 -0.57 2.62 2.02 -2.00 0.29 112.91 115.94 2ie8 h THR 33 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2ie8 h THR 33 Cb 0.18 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 2ie8 h THR 33 CO 0.00 0.00 0.38 0.03 0.37 0.00 0.00 175.52 176.30 2ie8 h ARG 34 N -0.03 0.62 -0.33 6.66 2.47 -1.88 -0.90 114.38 120.99 2ie8 h ARG 34 Ca 0.32 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.89 2ie8 h ARG 34 Cb 0.58 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2ie8 h ARG 34 CO -0.94 0.41 -0.21 0.82 0.56 0.00 0.00 179.97 180.62 2ie8 h ILE 35 N 0.64 1.29 -0.67 2.04 2.04 -1.23 -2.98 117.51 118.64 2ie8 h ILE 35 Ca 0.23 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2ie8 h ILE 35 Cb 0.12 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2ie8 h ILE 35 CO -0.06 0.44 0.33 -0.07 0.00 0.00 0.00 178.15 178.79 2ie8 h LEU 36 N 0.50 0.87 -2.67 1.44 3.38 -0.77 -2.53 115.31 115.53 2ie8 h LEU 36 Ca 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ie8 h LEU 36 Cb 0.76 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2ie8 h LEU 36 CO 0.06 0.75 -0.00 -0.33 0.09 0.00 0.00 178.44 179.01 2ie8 h GLU 37 N 0.93 0.00 0.00 1.13 5.08 -1.08 -2.46 114.58 118.18 2ie8 h GLU 37 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2ie8 h GLU 37 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ie8 h GLU 37 CO -0.03 0.00 -0.75 0.66 -1.00 0.00 0.00 179.01 177.89 2ie8 h SER 38 N 0.00 0.00 -0.98 1.42 4.64 -1.30 -3.39 113.55 113.94 2ie8 h SER 38 Ca -0.00 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2ie8 h SER 38 Cb 0.01 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 2ie8 h SER 38 CO 0.00 0.08 0.64 -0.07 -0.87 0.00 0.00 176.83 176.61 2ie8 h LEU 39 N 0.00 1.05 -0.58 5.97 3.38 -1.41 -2.16 115.31 121.56 2ie8 h LEU 39 Ca 0.00 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.07 2ie8 h LEU 39 Cb 0.82 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 2ie8 h LEU 39 CO 0.00 0.71 0.10 -0.65 0.09 0.00 0.00 178.44 178.69 2ie8 h PRO 40 N 1.22 0.22 -0.14 1.13 0.11 -1.77 0.25 132.00 133.03 2ie8 h PRO 40 Ca 0.39 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.48 2ie8 h PRO 40 Cb 0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2ie8 h PRO 40 CO -0.13 0.14 0.06 1.15 -0.21 0.00 0.00 178.00 179.01 2ie8 h THR 41 N 0.22 1.15 -0.26 -1.15 2.02 -1.75 -2.13 112.91 111.01 2ie8 h THR 41 Ca 0.30 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2ie8 h THR 41 Cb 0.46 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2ie8 h THR 41 CO -0.41 0.13 0.13 -0.07 0.37 0.00 0.00 175.52 175.67 2ie8 h LEU 42 N 0.07 0.33 -1.08 2.58 3.38 -0.75 -2.57 115.31 117.26 2ie8 h LEU 42 Ca 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2ie8 h LEU 42 Cb 0.16 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2ie8 h LEU 42 CO -0.00 0.35 0.04 0.03 0.09 0.00 0.00 178.44 178.95 2ie8 h ARG 43 N 0.28 0.69 -0.31 1.13 3.08 -0.53 -1.00 114.38 117.73 2ie8 h ARG 43 Ca 0.09 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2ie8 h ARG 43 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2ie8 h ARG 43 CO -0.01 0.68 0.15 1.25 -1.07 0.00 0.00 179.97 180.97 2ie8 h HIS 44 N 0.66 0.44 -0.48 3.04 2.76 -1.26 0.80 115.15 121.11 2ie8 h HIS 44 Ca 0.14 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2ie8 h HIS 44 Cb 0.35 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2ie8 h HIS 44 CO 0.02 0.39 0.21 -0.07 -1.30 0.00 0.00 177.93 177.18 2ie8 h LEU 45 N 0.37 0.65 -0.68 0.26 3.38 -1.11 -1.95 115.31 116.22 2ie8 h LEU 45 Ca 0.11 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2ie8 h LEU 45 Cb 0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2ie8 h LEU 45 CO -0.01 0.62 0.28 -0.07 0.09 0.00 0.00 178.44 179.35 2ie8 h LEU 46 N 0.63 0.94 -1.15 1.67 3.38 -1.04 -2.32 115.31 117.41 2ie8 h LEU 46 Ca 0.16 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2ie8 h LEU 46 Cb 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2ie8 h LEU 46 CO -0.02 0.84 0.57 0.00 0.09 0.00 0.00 178.44 179.93 2ie8 h ALA 47 N 1.13 1.40 0.00 1.53 0.00 -0.58 -0.89 119.26 121.86 2ie8 h ALA 47 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2ie8 h ALA 47 Cb 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2ie8 h ALA 47 CO -0.02 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2ie8 n GLY 48 N -1.40 -0.90 0.10 0.00 0.00 -0.76 -4.87 105.19 97.35 2ie8 n GLY 48 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2ie8 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ie8 n GLY 49 N 0.31 1.68 3.96 -0.02 0.00 -0.34 -2.85 105.19 107.94 2ie8 n GLY 49 Ca 0.09 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2ie8 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ie8 s ALA 50 N -2.00 4.37 0.20 4.61 0.00 -1.01 -1.72 121.76 126.20 2ie8 s ALA 50 Ca 0.00 -1.75 0.10 0.00 0.00 0.00 0.00 51.96 50.31 2ie8 s ALA 50 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2ie8 s ALA 50 CO 0.00 -0.27 -0.16 -1.54 0.00 0.00 0.00 175.76 173.79 2ie8 s SER 51 N -4.28 3.86 0.01 0.00 1.04 -0.93 -1.19 113.70 112.21 2ie8 s SER 51 Ca 0.53 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 56.24 2ie8 s SER 51 Cb -0.07 -0.49 -0.01 0.00 0.10 0.00 0.00 66.02 65.54 2ie8 s SER 51 CO 0.31 0.10 -0.09 -0.76 0.98 0.00 0.00 173.24 173.78 2ie8 s LEU 52 N -2.84 2.09 -0.20 2.42 1.43 -0.29 -1.52 118.68 119.77 2ie8 s LEU 52 Ca 0.24 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2ie8 s LEU 52 Cb -0.08 -0.40 0.01 0.00 0.03 0.00 0.00 46.19 45.76 2ie8 s LEU 52 CO 0.13 0.03 -0.15 -0.69 0.23 0.00 0.00 176.35 175.90 2ie8 s VAL 53 N -0.51 2.43 -0.10 -1.59 1.01 -0.73 0.47 120.40 121.38 2ie8 s VAL 53 Ca 0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2ie8 s VAL 53 Cb -0.05 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2ie8 s VAL 53 CO 0.00 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.86 2ie8 s LEU 54 N 1.33 3.78 -0.04 3.92 1.43 0.22 -0.83 118.68 128.49 2ie8 s LEU 54 Ca 0.05 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2ie8 s LEU 54 Cb -0.14 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2ie8 s LEU 54 CO -0.10 0.38 -0.16 -0.76 0.23 0.00 0.00 176.35 175.94 2ie8 s LEU 55 N -0.85 1.91 0.16 1.79 1.43 -0.57 -2.22 118.68 120.34 2ie8 s LEU 55 Ca 0.13 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 2ie8 s LEU 55 Cb -0.12 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.22 2ie8 s LEU 55 CO 0.03 0.15 0.41 -0.55 0.23 0.00 0.00 176.35 176.61 2ie8 s SER 56 N -0.00 -0.15 0.31 2.29 0.15 -1.26 -1.43 113.70 113.60 2ie8 s SER 56 Ca -0.02 -0.54 0.07 0.00 0.70 0.00 0.00 55.95 56.15 2ie8 s SER 56 Cb -0.10 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2ie8 s SER 56 CO 0.02 -0.94 0.35 -1.38 1.20 0.00 0.00 173.24 172.48 2ie8 s HIS 57 N -3.88 3.08 -0.25 3.44 -3.43 -1.26 -1.86 115.29 111.13 2ie8 s HIS 57 Ca 0.09 -0.21 -0.05 0.00 -0.80 0.00 0.00 55.06 54.09 2ie8 s HIS 57 Cb 0.01 -1.77 0.13 0.00 -1.43 0.00 0.00 32.58 29.52 2ie8 s HIS 57 CO -0.05 0.20 0.49 -1.17 -2.00 0.00 0.00 174.74 172.22 2ie8 s LEU 58 N -4.03 -0.91 0.00 5.38 2.96 -1.26 -3.55 118.68 117.27 2ie8 s LEU 58 Ca 0.40 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.17 2ie8 s LEU 58 Cb -0.08 1.66 0.00 0.00 0.50 0.00 0.00 46.19 48.27 2ie8 s LEU 58 CO 0.28 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 2ie8 n GLY 59 N 5.40 -0.25 2.73 7.98 0.00 -1.26 -4.30 105.19 115.50 2ie8 n GLY 59 Ca -0.06 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 2ie8 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ie8 n ARG 60 N -1.15 3.30 -1.71 1.61 5.12 -1.26 -5.02 116.66 117.56 2ie8 n ARG 60 Ca 0.00 -4.69 -0.39 0.00 -1.93 0.00 0.00 57.85 50.83 2ie8 n ARG 60 Cb 0.00 -2.24 0.03 0.00 -1.16 0.00 0.00 32.46 29.10 2ie8 n ARG 60 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2ie8 n PRO 61 N -0.35 1.66 -3.12 5.56 -0.04 -1.26 -4.92 135.00 132.53 2ie8 n PRO 61 Ca 0.34 0.60 -0.45 0.00 -0.04 0.00 0.00 63.50 63.96 2ie8 n PRO 61 Cb 0.51 -2.43 -0.01 0.00 -0.04 0.00 0.00 33.50 31.53 2ie8 n PRO 61 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2ie8 s LYS 62 N -2.59 3.90 1.14 0.54 2.20 -1.26 -4.92 119.74 118.75 2ie8 s LYS 62 Ca 0.68 -2.51 0.00 0.00 -0.36 0.00 0.00 55.97 53.78 2ie8 s LYS 62 Cb -0.45 -4.77 0.00 0.00 -1.51 0.00 0.00 37.83 31.10 2ie8 s LYS 62 CO 0.52 -1.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 2ie8 n GLY 63 N 4.07 -1.66 3.57 5.54 0.00 -1.26 -4.71 105.19 110.74 2ie8 n GLY 63 Ca 0.26 -1.24 -0.54 0.00 0.00 0.00 0.00 46.02 44.50 2ie8 n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ie8 n PRO 64 N -1.50 0.86 -3.25 1.61 -0.02 -1.26 -4.80 135.00 126.64 2ie8 n PRO 64 Ca 0.00 0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.76 2ie8 n PRO 64 Cb 0.10 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 2ie8 n PRO 64 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2ie8 s ASP 65 N 0.33 -0.52 0.56 2.55 -1.08 -1.26 -5.02 116.67 112.22 2ie8 s ASP 65 Ca 0.85 0.27 0.36 0.00 -0.52 0.00 0.00 52.55 53.51 2ie8 s ASP 65 Cb -1.03 1.58 1.50 0.00 -1.46 0.00 0.00 42.92 43.51 2ie8 s ASP 65 CO 0.50 -0.30 1.76 -0.65 0.52 0.00 0.00 175.17 176.99 2ie8 h PRO 66 N 8.09 0.00 -0.28 4.34 0.11 -1.99 0.15 132.00 142.42 2ie8 h PRO 66 Ca -0.15 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.97 2ie8 h PRO 66 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2ie8 h PRO 66 CO 0.25 0.00 0.19 0.00 -0.21 0.00 0.00 178.00 178.23 2ie8 h ARG 67 N 0.00 0.35 -0.44 1.05 3.08 -1.99 -2.76 114.38 113.67 2ie8 h ARG 67 Ca 0.53 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 60.35 2ie8 h ARG 67 Cb 2.26 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 32.10 2ie8 h ARG 67 CO -0.01 0.23 0.03 0.66 -1.07 0.00 0.00 179.97 179.82 2ie8 n TYR 68 N -4.50 1.37 -2.01 3.04 4.02 0.54 -5.01 117.16 114.61 2ie8 n TYR 68 Ca 0.01 -1.55 -0.33 0.00 -0.01 0.00 0.00 57.90 56.02 2ie8 n TYR 68 Cb 0.09 -0.54 0.02 0.00 -0.02 0.00 0.00 39.34 38.89 2ie8 n TYR 68 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2ie8 s SER 69 N -2.27 5.51 0.00 7.72 0.15 -1.04 -4.73 113.70 119.04 2ie8 s SER 69 Ca 0.46 1.99 0.21 0.00 0.70 0.00 0.00 55.95 59.31 2ie8 s SER 69 Cb 0.41 -2.55 0.72 0.00 -1.71 0.00 0.00 66.02 62.89 2ie8 s SER 69 CO 0.03 -1.35 1.53 0.18 1.20 0.00 0.00 173.24 174.82 2ie8 n LEU 70 N -1.95 1.76 -0.26 3.45 4.77 -1.26 -4.43 117.00 119.08 2ie8 n LEU 70 Ca 0.10 -0.74 0.06 0.00 -0.03 0.00 0.00 56.01 55.40 2ie8 n LEU 70 Cb 0.52 -0.11 0.19 0.00 -2.33 0.00 0.00 43.42 41.69 2ie8 n LEU 70 CO 0.46 0.37 1.00 0.00 -1.33 0.00 0.00 177.39 177.89 2ie8 h ALA 71 N 4.06 1.06 -0.03 -1.18 0.00 -1.95 0.79 119.26 122.01 2ie8 h ALA 71 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2ie8 h ALA 71 Cb 0.51 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2ie8 h ALA 71 CO 0.00 -0.24 -0.13 -1.35 0.00 0.00 0.00 179.25 177.53 2ie8 h PRO 72 N 0.41 0.05 -0.07 0.00 0.11 -1.84 -1.83 132.00 128.82 2ie8 h PRO 72 Ca 0.42 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.35 2ie8 h PRO 72 Cb 0.66 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2ie8 h PRO 72 CO -0.43 0.18 -0.72 0.28 -0.21 0.00 0.00 178.00 177.11 2ie8 h VAL 73 N 0.05 1.39 -0.72 3.15 2.07 -1.20 -2.67 116.25 118.32 2ie8 h VAL 73 Ca 0.01 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 2ie8 h VAL 73 Cb 0.26 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2ie8 h VAL 73 CO 0.02 0.64 0.38 1.23 0.02 0.00 0.00 177.57 179.86 2ie8 h GLY 74 N 1.36 1.08 1.12 2.17 0.00 -0.43 0.60 103.07 108.97 2ie8 h GLY 74 Ca -0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 2ie8 h GLY 74 CO 0.12 0.48 0.00 0.83 0.00 0.00 0.00 176.54 177.97 2ie8 h GLU 75 N 0.99 1.06 -0.32 4.80 5.08 -1.38 -1.06 114.58 123.75 2ie8 h GLU 75 Ca 0.25 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2ie8 h GLU 75 Cb 0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2ie8 h GLU 75 CO -0.04 1.03 0.06 0.00 -1.00 0.00 0.00 179.01 179.06 2ie8 h ALA 76 N 1.02 0.43 -0.59 3.43 0.00 -1.11 -2.82 119.26 119.61 2ie8 h ALA 76 Ca 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2ie8 h ALA 76 Cb 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2ie8 h ALA 76 CO 0.03 0.11 0.24 1.25 0.00 0.00 0.00 179.25 180.88 2ie8 h LEU 77 N 0.36 0.78 -2.15 0.00 5.85 -0.73 -2.38 115.31 117.03 2ie8 h LEU 77 Ca 0.10 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2ie8 h LEU 77 Cb 0.33 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2ie8 h LEU 77 CO 0.00 0.69 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.67 2ie8 h ARG 78 N 0.84 0.00 0.00 1.25 9.65 -0.94 -0.37 114.38 124.81 2ie8 h ARG 78 Ca 0.20 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 59.03 2ie8 h ARG 78 Cb 0.15 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2ie8 h ARG 78 CO -0.02 0.04 -0.25 0.00 2.80 0.00 0.00 179.97 182.54 2ie8 h ALA 79 N 1.96 1.05 0.05 2.80 0.00 -1.28 -3.27 119.26 120.57 2ie8 h ALA 79 Ca -0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 54.91 54.31 2ie8 h ALA 79 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2ie8 h ALA 79 CO 0.01 0.31 -2.26 0.72 0.00 0.00 0.00 179.25 178.02 2ie8 n HIS 80 N -3.46 0.57 -3.99 0.00 8.25 -0.59 -4.81 115.22 111.19 2ie8 n HIS 80 Ca -0.00 0.12 -0.31 0.00 -0.26 0.00 0.00 57.72 57.27 2ie8 n HIS 80 Cb 0.42 -1.07 -0.15 0.00 1.12 0.00 0.00 29.99 30.31 2ie8 n HIS 80 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2ie8 s LEU 81 N -6.72 4.03 0.62 2.41 1.43 -0.25 -5.00 118.68 115.19 2ie8 s LEU 81 Ca -0.29 -1.87 0.26 0.00 -1.03 0.00 0.00 54.13 51.21 2ie8 s LEU 81 Cb 0.08 -1.48 1.31 0.00 0.03 0.00 0.00 46.19 46.13 2ie8 s LEU 81 CO 0.68 -0.34 1.74 -0.65 0.23 0.00 0.00 176.35 178.02 2ie8 h PRO 82 N 7.73 0.00 -0.53 1.29 0.11 -1.86 -0.99 132.00 137.75 2ie8 h PRO 82 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2ie8 h PRO 82 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2ie8 h PRO 82 CO 0.49 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.67 2ie8 n GLU 83 N -3.29 3.55 -3.39 1.05 1.02 -1.26 -4.95 120.64 113.36 2ie8 n GLU 83 Ca 0.07 -2.78 -0.38 0.00 -0.02 0.00 0.00 57.16 54.05 2ie8 n GLU 83 Cb 0.73 -1.81 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 2ie8 n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ie8 s ALA 84 N -1.95 3.60 0.10 0.62 0.00 -0.37 -1.90 121.76 121.87 2ie8 s ALA 84 Ca 0.46 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2ie8 s ALA 84 Cb 0.31 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 2ie8 s ALA 84 CO 0.20 0.32 -0.06 1.03 0.00 0.00 0.00 175.76 177.24 2ie8 s ARG 85 N -0.56 0.85 -0.05 0.00 0.52 0.25 -4.60 118.95 115.36 2ie8 s ARG 85 Ca 0.26 -1.35 0.04 0.00 -0.52 0.00 0.00 55.73 54.16 2ie8 s ARG 85 Cb -0.17 -0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.07 2ie8 s ARG 85 CO 0.14 -0.02 -0.18 0.12 0.02 0.00 0.00 175.30 175.37 2ie8 s PHE 86 N -3.62 2.60 -0.12 -0.53 5.36 -1.26 -0.86 117.98 119.53 2ie8 s PHE 86 Ca 0.13 -0.36 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 2ie8 s PHE 86 Cb 0.05 -1.62 0.02 0.00 -0.34 0.00 0.00 43.02 41.13 2ie8 s PHE 86 CO -0.04 0.03 -0.13 0.00 -1.46 0.00 0.00 175.22 173.62 2ie8 s ALA 87 N -0.49 1.64 0.00 11.12 0.00 -0.74 -4.95 121.76 128.33 2ie8 s ALA 87 Ca 0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 2ie8 s ALA 87 Cb -0.12 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 2ie8 s ALA 87 CO 0.01 -0.29 0.92 -0.35 0.00 0.00 0.00 175.76 176.06 2ie8 n PRO 88 N 4.62 0.44 -4.81 0.00 -0.04 -1.26 -3.47 135.00 130.49 2ie8 n PRO 88 Ca -0.17 -0.08 -0.33 0.00 -0.04 0.00 0.00 63.50 62.88 2ie8 n PRO 88 Cb 0.50 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 2ie8 n PRO 88 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ie8 s PHE 89 N 1.51 2.79 0.27 0.54 2.99 -1.26 -4.91 117.98 119.92 2ie8 s PHE 89 Ca 0.05 -0.58 -0.30 0.00 0.00 0.00 0.00 56.93 56.11 2ie8 s PHE 89 Cb 0.03 -1.81 -0.11 0.00 0.00 0.00 0.00 43.02 41.13 2ie8 s PHE 89 CO 0.00 -0.15 1.57 -1.25 -0.00 0.00 0.00 175.22 175.39 2ie8 s PRO 90 N 0.18 4.16 0.31 0.24 0.04 -1.26 -1.81 135.00 136.85 2ie8 s PRO 90 Ca -0.08 2.51 0.19 0.00 0.04 0.00 0.00 61.00 63.67 2ie8 s PRO 90 Cb -0.15 -3.05 1.11 0.00 0.04 0.00 0.00 34.50 32.45 2ie8 s PRO 90 CO 0.05 -0.60 1.25 -2.30 0.04 0.00 0.00 177.00 175.45 2ie8 n PRO 91 N 2.40 -0.04 -0.54 0.56 -0.02 -1.26 -0.52 135.00 135.58 2ie8 n PRO 91 Ca 0.09 1.07 0.09 0.00 -2.02 0.00 0.00 63.50 62.72 2ie8 n PRO 91 Cb 0.38 -1.97 0.33 0.00 -0.02 0.00 0.00 33.50 32.22 2ie8 n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ie8 n GLY 92 N -1.27 2.85 3.91 -1.23 0.00 -1.26 -4.70 105.19 103.48 2ie8 n GLY 92 Ca 0.31 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 2ie8 n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ie8 s SER 93 N -1.01 5.73 0.25 1.61 1.04 0.32 -4.96 113.70 116.67 2ie8 s SER 93 Ca 0.48 0.83 -0.01 0.00 0.48 0.00 0.00 55.95 57.73 2ie8 s SER 93 Cb 0.30 -1.86 0.30 0.00 0.10 0.00 0.00 66.02 64.86 2ie8 s SER 93 CO 0.23 -1.00 1.67 -0.08 0.98 0.00 0.00 173.24 175.04 2ie8 h GLU 94 N -0.16 0.60 -0.72 4.02 4.81 -1.94 -2.24 114.58 118.94 2ie8 h GLU 94 Ca -0.46 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.51 2ie8 h GLU 94 Cb 1.24 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2ie8 h GLU 94 CO 0.61 0.81 0.37 0.93 -0.73 0.00 0.00 179.01 181.00 2ie8 h GLU 95 N 0.52 1.02 -0.39 1.92 3.07 -1.94 -2.09 114.58 116.69 2ie8 h GLU 95 Ca 0.07 -0.13 -0.10 0.00 -0.50 0.00 0.00 59.36 58.70 2ie8 h GLU 95 Cb 0.73 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2ie8 h GLU 95 CO 0.06 0.78 -0.17 0.00 -1.40 0.00 0.00 179.01 178.27 2ie8 h ALA 96 N 1.19 0.96 -0.37 3.43 0.00 -1.72 -1.25 119.26 121.49 2ie8 h ALA 96 Ca 0.25 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ie8 h ALA 96 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ie8 h ALA 96 CO -0.04 0.61 0.06 -0.09 0.00 0.00 0.00 179.25 179.79 2ie8 h ARG 97 N 0.66 0.62 -0.17 0.00 2.43 -1.15 -2.22 114.38 114.54 2ie8 h ARG 97 Ca 0.10 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 2ie8 h ARG 97 Cb 0.65 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2ie8 h ARG 97 CO 0.05 0.68 -0.32 0.00 -1.51 0.00 0.00 179.97 178.87 2ie8 h ARG 98 N 0.46 0.35 -0.54 0.20 3.08 -1.23 -1.63 114.38 115.06 2ie8 h ARG 98 Ca 0.11 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2ie8 h ARG 98 Cb 0.36 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2ie8 h ARG 98 CO 0.01 0.63 -0.08 1.49 -1.07 0.00 0.00 179.97 180.95 2ie8 h GLU 99 N 0.30 1.01 -0.06 0.04 4.57 -1.05 -2.59 114.58 116.80 2ie8 h GLU 99 Ca 0.04 -0.36 -0.14 0.00 -1.18 0.00 0.00 59.36 57.72 2ie8 h GLU 99 Cb 0.71 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2ie8 h GLU 99 CO 0.05 1.05 -0.57 0.00 -1.18 0.00 0.00 179.01 178.36 2ie8 h ALA 100 N 0.93 0.92 0.00 2.92 0.00 -1.15 -2.97 119.26 119.91 2ie8 h ALA 100 Ca 0.14 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ie8 h ALA 100 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ie8 h ALA 100 CO 0.04 0.71 -0.02 0.93 0.00 0.00 0.00 179.25 180.92 2ie8 h GLU 101 N 0.15 0.00 0.00 0.00 5.08 -1.11 -2.77 114.58 115.92 2ie8 h GLU 101 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ie8 h GLU 101 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2ie8 h GLU 101 CO 0.09 0.02 -0.38 0.00 -1.00 0.00 0.00 179.01 177.73 2ie8 n ALA 102 N -2.10 3.13 -1.71 3.43 0.00 -0.99 -4.95 120.51 117.32 2ie8 n ALA 102 Ca 0.01 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 2ie8 n ALA 102 Cb 0.35 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 2ie8 n ALA 102 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ie8 n LEU 103 N -1.61 3.72 -4.85 0.00 4.32 -1.05 -5.03 117.00 112.50 2ie8 n LEU 103 Ca 0.06 1.14 -0.32 0.00 -0.02 0.00 0.00 56.01 56.87 2ie8 n LEU 103 Cb 0.35 -1.51 -0.05 0.00 -1.62 0.00 0.00 43.42 40.59 2ie8 n LEU 103 CO 0.33 -0.17 -0.20 -0.13 -1.22 0.00 0.00 177.39 176.00 2ie8 s ARG 104 N -0.41 3.24 -0.02 3.23 1.81 -1.26 -5.03 118.95 120.51 2ie8 s ARG 104 Ca 0.66 -0.46 -0.36 0.00 -1.72 0.00 0.00 55.73 53.85 2ie8 s ARG 104 Cb -0.57 -2.95 -0.15 0.00 -0.45 0.00 0.00 34.95 30.83 2ie8 s ARG 104 CO 0.49 0.63 1.63 -0.35 -0.68 0.00 0.00 175.30 177.01 2ie8 n PRO 105 N 0.74 1.65 0.00 3.54 -0.04 -1.26 -1.15 135.00 138.47 2ie8 n PRO 105 Ca -0.09 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2ie8 n PRO 105 Cb 0.52 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2ie8 n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ie8 n GLY 106 N 3.59 2.85 3.83 0.55 0.00 -0.33 -4.92 105.19 110.77 2ie8 n GLY 106 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2ie8 n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ie8 s GLU 107 N -0.51 3.76 -0.09 1.61 2.02 -0.30 -4.78 118.70 120.40 2ie8 s GLU 107 Ca 0.00 1.01 -0.01 0.00 0.02 0.00 0.00 54.97 55.99 2ie8 s GLU 107 Cb 0.00 -2.10 0.03 0.00 0.10 0.00 0.00 34.13 32.15 2ie8 s GLU 107 CO 0.00 -0.43 -0.04 0.08 0.02 0.00 0.00 175.26 174.89 2ie8 s VAL 108 N -2.61 0.71 -0.21 2.63 1.01 -0.80 -1.13 120.40 120.00 2ie8 s VAL 108 Ca 0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 2ie8 s VAL 108 Cb -0.12 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 2ie8 s VAL 108 CO 0.34 0.31 -0.08 -0.22 0.00 0.00 0.00 175.10 175.45 2ie8 s LEU 109 N 1.84 2.73 -0.28 3.92 2.96 0.18 -0.58 118.68 129.45 2ie8 s LEU 109 Ca 0.05 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.40 2ie8 s LEU 109 Cb -0.12 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 2ie8 s LEU 109 CO -0.07 -0.01 0.20 -0.22 -1.32 0.00 0.00 176.35 174.94 2ie8 s LEU 110 N 1.40 4.04 0.70 -0.68 2.96 -0.04 0.71 118.68 127.77 2ie8 s LEU 110 Ca 0.05 -0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2ie8 s LEU 110 Cb -0.14 -2.14 0.10 0.00 0.50 0.00 0.00 46.19 44.51 2ie8 s LEU 110 CO -0.05 -0.07 0.98 -0.76 -1.32 0.00 0.00 176.35 175.13 2ie8 s LEU 111 N 1.78 2.99 0.73 -0.68 1.43 -0.94 -1.80 118.68 122.19 2ie8 s LEU 111 Ca 0.07 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 2ie8 s LEU 111 Cb -0.16 -2.39 0.04 0.00 0.03 0.00 0.00 46.19 43.70 2ie8 s LEU 111 CO 0.11 -1.74 1.10 -0.70 0.23 0.00 0.00 176.35 175.35 2ie8 s GLU 112 N -5.14 2.45 -0.45 1.70 2.56 -0.75 -4.77 118.70 114.29 2ie8 s GLU 112 Ca 0.64 1.26 -0.43 0.00 0.00 0.00 0.00 54.97 56.44 2ie8 s GLU 112 Cb -0.07 -1.91 -0.18 0.00 2.00 0.00 0.00 34.13 33.96 2ie8 s GLU 112 CO 0.44 -1.51 1.45 -1.71 -0.56 0.00 0.00 175.26 173.37 2ie8 n ASN 113 N -3.11 1.08 0.27 -1.70 2.85 -1.26 -4.23 115.26 109.17 2ie8 n ASN 113 Ca 0.10 1.09 0.13 0.00 -0.11 0.00 0.00 54.58 55.78 2ie8 n ASN 113 Cb 0.53 -0.80 0.78 0.00 1.24 0.00 0.00 39.78 41.52 2ie8 n ASN 113 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2ie8 h VAL 114 N 4.53 0.59 0.00 3.44 -1.51 -1.71 -1.30 116.25 120.28 2ie8 h VAL 114 Ca -0.40 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 2ie8 h VAL 114 Cb 1.25 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2ie8 h VAL 114 CO 0.89 0.08 0.00 0.54 -1.23 0.00 0.00 177.57 177.85 2ie8 n ARG 115 N -3.76 0.31 0.19 5.19 5.12 -1.26 -1.93 116.66 120.52 2ie8 n ARG 115 Ca -0.02 0.10 0.08 0.00 -1.93 0.00 0.00 57.85 56.07 2ie8 n ARG 115 Cb 0.18 -1.50 0.18 0.00 -1.16 0.00 0.00 32.46 30.16 2ie8 n ARG 115 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2ie8 h PHE 116 N 0.00 0.00 -3.24 -1.55 -1.00 -1.54 -3.40 116.94 106.21 2ie8 h PHE 116 Ca 0.00 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.19 2ie8 h PHE 116 Cb 0.11 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.59 2ie8 h PHE 116 CO 0.00 0.25 0.55 -2.00 -1.61 0.00 0.00 178.31 175.50 2ie8 s GLU 117 N -3.19 4.19 0.62 1.51 2.56 -0.81 -4.28 118.70 119.30 2ie8 s GLU 117 Ca 0.04 1.04 0.36 0.00 0.00 0.00 0.00 54.97 56.41 2ie8 s GLU 117 Cb 0.07 -3.65 2.06 0.00 2.00 0.00 0.00 34.13 34.62 2ie8 s GLU 117 CO 0.69 -0.55 2.29 -1.00 -0.56 0.00 0.00 175.26 176.13 2ie8 h PRO 118 N 7.64 0.00 -0.06 4.30 0.13 -1.87 -2.47 132.00 139.66 2ie8 h PRO 118 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2ie8 h PRO 118 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ie8 h PRO 118 CO 0.90 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 2ie8 n GLY 119 N -1.23 0.47 0.27 1.56 0.00 -1.26 -4.56 105.19 100.44 2ie8 n GLY 119 Ca -0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 2ie8 n GLY 119 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ie8 h GLU 120 N 3.23 -0.66 0.00 1.61 4.57 -1.72 -1.82 114.58 119.79 2ie8 h GLU 120 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2ie8 h GLU 120 Cb 0.69 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2ie8 h GLU 120 CO 0.00 -0.44 0.00 0.39 -1.18 0.00 0.00 179.01 177.78 2ie8 n GLU 121 N -3.87 0.09 -0.13 1.92 1.02 -1.26 -1.13 120.64 117.27 2ie8 n GLU 121 Ca -0.08 0.25 0.10 0.00 -0.02 0.00 0.00 57.16 57.40 2ie8 n GLU 121 Cb 0.27 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.35 2ie8 n GLU 121 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ie8 n LYS 122 N -1.37 2.14 -3.20 3.49 4.76 -1.17 -4.82 118.16 117.99 2ie8 n LYS 122 Ca 0.04 -1.99 -0.23 0.00 -2.87 0.00 0.00 58.31 53.26 2ie8 n LYS 122 Cb 0.09 -1.41 0.03 0.00 -1.84 0.00 0.00 35.03 31.91 2ie8 n LYS 122 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2ie8 n ASN 123 N 1.15 -5.46 -4.68 4.39 4.05 -0.89 -4.86 115.26 108.96 2ie8 n ASN 123 Ca 0.15 -0.36 -0.47 0.00 0.45 0.00 0.00 54.58 54.35 2ie8 n ASN 123 Cb 0.51 -4.42 -0.04 0.00 1.23 0.00 0.00 39.78 37.06 2ie8 n ASN 123 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ie8 n ASP 124 N -2.52 3.43 -0.29 1.20 -0.08 -0.70 -4.81 116.55 112.78 2ie8 n ASP 124 Ca -0.07 1.00 0.01 0.00 -1.51 0.00 0.00 54.79 54.22 2ie8 n ASP 124 Cb 0.59 -1.41 0.14 0.00 2.34 0.00 0.00 41.12 42.78 2ie8 n ASP 124 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2ie8 h PRO 125 N 8.24 0.82 -0.15 -0.67 0.11 -1.90 -1.22 132.00 137.22 2ie8 h PRO 125 Ca -0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2ie8 h PRO 125 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2ie8 h PRO 125 CO 0.93 0.54 0.08 0.93 -0.21 0.00 0.00 178.00 180.27 2ie8 h GLU 126 N 0.84 0.22 -0.93 1.05 4.39 -1.98 -1.31 114.58 116.85 2ie8 h GLU 126 Ca 0.36 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.04 2ie8 h GLU 126 Cb 0.24 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 2ie8 h GLU 126 CO -0.20 0.24 0.61 1.25 -1.16 0.00 0.00 179.01 179.74 2ie8 h LEU 127 N 0.14 1.08 -0.33 1.33 5.85 -1.84 -1.57 115.31 119.96 2ie8 h LEU 127 Ca 0.05 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2ie8 h LEU 127 Cb 0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2ie8 h LEU 127 CO -0.01 0.79 0.18 0.28 -0.34 0.00 0.00 178.44 179.34 2ie8 h SER 128 N 1.27 0.42 -0.52 1.25 0.02 -0.94 -1.89 113.55 113.16 2ie8 h SER 128 Ca 0.34 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 2ie8 h SER 128 Cb -0.13 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2ie8 h SER 128 CO -0.07 0.39 0.35 0.00 -1.14 0.00 0.00 176.83 176.35 2ie8 h ALA 129 N 1.05 1.75 -0.31 3.77 0.00 -0.71 -1.65 119.26 123.16 2ie8 h ALA 129 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2ie8 h ALA 129 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ie8 h ALA 129 CO -0.02 0.19 0.07 0.00 0.00 0.00 0.00 179.25 179.49 2ie8 h ARG 130 N 0.59 0.50 -0.33 0.00 3.08 -0.65 -2.77 114.38 114.79 2ie8 h ARG 130 Ca 0.21 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2ie8 h ARG 130 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2ie8 h ARG 130 CO -0.05 0.57 0.14 1.88 -1.07 0.00 0.00 179.97 181.44 2ie8 h TYR 131 N 0.33 0.45 0.00 3.04 0.99 -0.57 -2.20 116.97 119.01 2ie8 h TYR 131 Ca 0.10 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 2ie8 h TYR 131 Cb 0.30 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 37.89 2ie8 h TYR 131 CO 0.02 0.35 -0.00 0.00 -0.00 0.00 0.00 178.16 178.53 2ie8 h ALA 132 N 1.70 1.01 0.00 3.88 0.00 -1.05 -0.85 119.26 123.94 2ie8 h ALA 132 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ie8 h ALA 132 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ie8 h ALA 132 CO -0.01 0.00 -0.04 0.54 0.00 0.00 0.00 179.25 179.74 2ie8 n ARG 133 N -3.10 0.12 0.13 0.00 1.74 -0.83 -3.59 116.66 111.13 2ie8 n ARG 133 Ca -0.02 0.09 -0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2ie8 n ARG 133 Cb 0.13 -1.63 0.12 0.00 -1.02 0.00 0.00 32.46 30.07 2ie8 n ARG 133 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ie8 h LEU 134 N 0.00 0.00 0.00 0.55 3.38 -1.26 -3.48 115.31 114.50 2ie8 h LEU 134 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2ie8 h LEU 134 Cb 0.60 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2ie8 h LEU 134 CO 0.00 0.63 0.02 0.61 0.09 0.00 0.00 178.44 179.79 2ie8 n GLY 135 N 0.64 1.66 0.00 0.83 0.00 -1.24 -4.80 105.19 102.29 2ie8 n GLY 135 Ca -0.00 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.63 2ie8 n GLY 135 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ie8 n GLU 136 N -0.56 0.91 -3.82 1.61 1.02 0.25 -4.91 120.64 115.14 2ie8 n GLU 136 Ca -0.03 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 2ie8 n GLU 136 Cb 0.59 -1.37 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 2ie8 n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ie8 s ALA 137 N -2.82 -0.43 -0.05 0.62 0.00 -1.24 -4.45 121.76 113.40 2ie8 s ALA 137 Ca 0.05 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 51.78 2ie8 s ALA 137 Cb 0.13 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2ie8 s ALA 137 CO 0.75 -0.42 -0.22 0.12 0.00 0.00 0.00 175.76 175.99 2ie8 s PHE 138 N -2.90 2.17 -0.13 0.00 5.36 -0.17 -1.44 117.98 120.87 2ie8 s PHE 138 Ca -0.02 -0.61 -0.00 0.00 -0.96 0.00 0.00 56.93 55.33 2ie8 s PHE 138 Cb 0.00 -1.43 0.02 0.00 -0.34 0.00 0.00 43.02 41.28 2ie8 s PHE 138 CO -0.06 -0.18 -0.11 0.08 -1.46 0.00 0.00 175.22 173.49 2ie8 s VAL 139 N -0.14 1.32 -0.34 3.12 1.01 -0.20 -0.71 120.40 124.45 2ie8 s VAL 139 Ca -0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 2ie8 s VAL 139 Cb -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2ie8 s VAL 139 CO 0.03 0.40 0.32 -0.22 0.00 0.00 0.00 175.10 175.63 2ie8 s LEU 140 N 1.59 4.49 -0.10 3.92 2.96 0.08 -1.20 118.68 130.43 2ie8 s LEU 140 Ca 0.05 -0.32 0.16 0.00 -0.22 0.00 0.00 54.13 53.80 2ie8 s LEU 140 Cb -0.13 -2.27 0.36 0.00 0.50 0.00 0.00 46.19 44.65 2ie8 s LEU 140 CO -0.10 -0.31 1.17 -0.67 -1.32 0.00 0.00 176.35 175.12 2ie8 n ASP 141 N 5.29 1.32 -3.94 3.68 2.03 -0.21 -1.76 116.55 122.97 2ie8 n ASP 141 Ca -0.10 -2.87 -0.29 0.00 0.52 0.00 0.00 54.79 52.04 2ie8 n ASP 141 Cb 0.49 -0.39 -0.12 0.00 -0.72 0.00 0.00 41.12 40.38 2ie8 n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ie8 s ALA 142 N -1.61 3.77 0.36 -1.67 0.00 -1.12 -4.45 121.76 117.04 2ie8 s ALA 142 Ca 0.31 -3.73 0.03 0.00 0.00 0.00 0.00 51.96 48.58 2ie8 s ALA 142 Cb 0.32 -2.25 0.67 0.00 0.00 0.00 0.00 23.12 21.86 2ie8 s ALA 142 CO -0.09 -2.09 2.01 0.35 0.00 0.00 0.00 175.76 175.94 2ie8 h PHE 143 N 5.71 0.77 0.00 0.00 3.57 -1.91 -1.08 116.94 124.00 2ie8 h PHE 143 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2ie8 h PHE 143 Cb 0.79 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2ie8 h PHE 143 CO 0.66 0.47 0.00 0.41 -2.23 0.00 0.00 178.31 177.62 2ie8 n GLY 144 N -1.44 -0.48 0.00 2.40 0.00 -1.25 -1.82 105.19 102.59 2ie8 n GLY 144 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2ie8 n GLY 144 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ie8 n SER 145 N -1.40 1.14 0.00 1.61 7.64 -0.42 -4.70 113.62 117.50 2ie8 n SER 145 Ca 0.01 -1.18 0.13 0.00 1.01 0.00 0.00 58.87 58.84 2ie8 n SER 145 Cb 0.03 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 63.86 2ie8 n SER 145 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ie8 n ALA 146 N -0.09 2.29 1.55 -0.43 0.00 -0.76 -3.32 120.51 119.75 2ie8 n ALA 146 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.47 2ie8 n ALA 146 Cb 0.05 -1.44 0.67 0.00 0.00 0.00 0.00 19.45 18.73 2ie8 n ALA 146 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2ie8 n HIS 147 N -1.39 0.00 -5.13 0.00 1.44 -1.26 -1.13 115.22 107.75 2ie8 n HIS 147 Ca 0.10 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.51 2ie8 n HIS 147 Cb 0.26 -0.11 -0.17 0.00 0.12 0.00 0.00 29.99 30.10 2ie8 n HIS 147 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2ie8 s ARG 148 N -2.29 2.48 -1.40 -1.40 1.81 -1.21 -4.71 118.95 112.23 2ie8 s ARG 148 Ca 0.35 -0.81 -0.14 0.00 -1.72 0.00 0.00 55.73 53.40 2ie8 s ARG 148 Cb 0.21 -2.03 0.06 0.00 -0.45 0.00 0.00 34.95 32.74 2ie8 s ARG 148 CO 0.43 0.28 2.06 0.00 -0.68 0.00 0.00 175.30 177.39 2ie8 n ALA 149 N 3.18 5.04 -2.71 2.13 0.00 -1.26 -4.58 120.51 122.30 2ie8 n ALA 149 Ca -0.18 -3.93 -0.22 0.00 0.00 0.00 0.00 53.44 49.11 2ie8 n ALA 149 Cb 0.52 -3.49 -0.01 0.00 0.00 0.00 0.00 19.45 16.48 2ie8 n ALA 149 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2ie8 s HIS 150 N 3.11 3.43 0.31 0.00 3.76 -1.26 -4.10 115.29 120.54 2ie8 s HIS 150 Ca 0.48 0.17 0.06 0.00 -0.15 0.00 0.00 55.06 55.62 2ie8 s HIS 150 Cb 0.11 -1.84 0.74 0.00 1.11 0.00 0.00 32.58 32.70 2ie8 s HIS 150 CO -0.04 0.17 1.80 0.00 -0.85 0.00 0.00 174.74 175.81 2ie8 h ALA 151 N 0.86 1.70 -0.25 -1.40 0.00 -1.38 0.16 119.26 118.95 2ie8 h ALA 151 Ca -0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ie8 h ALA 151 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2ie8 h ALA 151 CO 0.60 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 2ie8 n SER 152 N -4.71 2.37 -0.02 0.00 3.41 -1.26 -1.69 113.62 111.72 2ie8 n SER 152 Ca 0.22 -1.83 -0.05 0.00 -0.26 0.00 0.00 58.87 56.95 2ie8 n SER 152 Cb 0.55 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2ie8 n SER 152 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2ie8 n VAL 153 N 0.79 0.49 -0.09 -3.33 0.31 -0.46 -4.81 118.33 111.23 2ie8 n VAL 153 Ca 0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.32 2ie8 n VAL 153 Cb 0.44 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.69 2ie8 n VAL 153 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ie8 n VAL 154 N -3.34 1.00 0.00 2.52 0.31 0.43 -4.48 118.33 114.78 2ie8 n VAL 154 Ca -0.10 -0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 63.81 2ie8 n VAL 154 Cb 0.49 -1.59 -0.08 0.00 -0.91 0.00 0.00 33.84 31.75 2ie8 n VAL 154 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ie8 h GLY 155 N -0.17 -0.93 2.00 2.92 0.00 -1.55 -1.65 103.07 103.69 2ie8 h GLY 155 Ca -0.45 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2ie8 h GLY 155 CO -0.23 -0.21 -0.09 -0.24 0.00 0.00 0.00 176.54 175.77 2ie8 h VAL 156 N -0.56 0.35 0.00 4.60 3.04 -1.58 -2.31 116.25 119.78 2ie8 h VAL 156 Ca 0.05 -0.56 -0.05 0.00 -1.01 0.00 0.00 66.70 65.13 2ie8 h VAL 156 Cb 0.67 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 2ie8 h VAL 156 CO -0.41 0.09 -0.23 0.00 -1.01 0.00 0.00 177.57 176.00 2ie8 h ALA 157 N 1.91 1.49 -0.00 3.17 0.00 -1.53 -2.71 119.26 121.58 2ie8 h ALA 157 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ie8 h ALA 157 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ie8 h ALA 157 CO 0.01 0.29 -0.06 0.54 0.00 0.00 0.00 179.25 180.03 2ie8 n ARG 158 N -4.08 0.15 0.00 0.00 1.74 -0.87 -3.76 116.66 109.85 2ie8 n ARG 158 Ca -0.02 -0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.09 2ie8 n ARG 158 Cb 0.30 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 2ie8 n ARG 158 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ie8 n LEU 159 N -1.41 1.10 -3.95 0.55 4.77 -1.03 -5.02 117.00 112.01 2ie8 n LEU 159 Ca 0.09 -0.72 -0.10 0.00 -0.03 0.00 0.00 56.01 55.25 2ie8 n LEU 159 Cb 0.31 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.30 2ie8 n LEU 159 CO 0.27 0.22 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.48 2ie8 s LEU 160 N -1.77 2.08 -0.09 2.23 1.02 -1.18 -5.06 118.68 115.91 2ie8 s LEU 160 Ca 0.08 -0.43 -0.33 0.00 0.02 0.00 0.00 54.13 53.47 2ie8 s LEU 160 Cb 0.08 0.23 -0.11 0.00 0.02 0.00 0.00 46.19 46.42 2ie8 s LEU 160 CO 0.28 -0.31 1.93 -2.65 0.02 0.00 0.00 176.35 175.62 2ie8 n PRO 161 N 1.58 2.24 -4.73 1.29 -0.02 -1.26 -4.66 135.00 129.43 2ie8 n PRO 161 Ca -0.24 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 2ie8 n PRO 161 Cb 0.55 -2.73 -0.12 0.00 -0.02 0.00 0.00 33.50 31.18 2ie8 n PRO 161 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ie8 s ALA 162 N 4.53 2.83 0.11 3.55 0.00 -1.26 -0.99 121.76 130.53 2ie8 s ALA 162 Ca 0.93 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.00 2ie8 s ALA 162 Cb -0.64 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 2ie8 s ALA 162 CO 0.49 0.52 -0.07 0.71 0.00 0.00 0.00 175.76 177.41 2ie8 s TYR 163 N -0.61 0.99 0.01 0.00 1.51 0.11 -3.55 117.35 115.80 2ie8 s TYR 163 Ca 0.09 -0.89 -0.14 0.00 -1.01 0.00 0.00 57.07 55.11 2ie8 s TYR 163 Cb -0.11 -0.55 -0.06 0.00 -0.11 0.00 0.00 41.96 41.13 2ie8 s TYR 163 CO 0.02 -0.11 0.41 0.00 -1.11 0.00 0.00 175.55 174.75 2ie8 s ALA 164 N -3.57 3.70 0.89 3.71 0.00 0.17 -0.74 121.76 125.92 2ie8 s ALA 164 Ca 0.14 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 2ie8 s ALA 164 Cb 0.05 -2.37 0.17 0.00 0.00 0.00 0.00 23.12 20.97 2ie8 s ALA 164 CO -0.03 0.49 1.23 0.20 0.00 0.00 0.00 175.76 177.65 2ie8 s GLY 165 N -1.15 1.76 0.26 0.00 0.00 -0.72 -3.07 107.32 104.40 2ie8 s GLY 165 Ca 0.25 -1.29 -0.05 0.00 0.00 0.00 0.00 44.72 43.63 2ie8 s GLY 165 CO 0.14 -0.59 1.89 0.74 0.00 0.00 0.00 173.10 175.28 2ie8 h PHE 166 N -1.31 1.16 -0.19 1.90 0.04 -1.95 -1.06 116.94 115.53 2ie8 h PHE 166 Ca -0.43 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.31 2ie8 h PHE 166 Cb 1.25 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 2ie8 h PHE 166 CO -0.79 0.78 0.05 1.25 -0.60 0.00 0.00 178.31 179.00 2ie8 h LEU 167 N 1.20 0.28 -0.34 1.54 5.85 -1.87 -1.24 115.31 120.72 2ie8 h LEU 167 Ca 0.31 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2ie8 h LEU 167 Cb -0.01 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2ie8 h LEU 167 CO -0.05 0.42 0.13 -0.03 -0.34 0.00 0.00 178.44 178.57 2ie8 h MET 168 N 0.13 0.28 -0.73 1.25 4.05 -1.73 -1.31 114.93 116.87 2ie8 h MET 168 Ca 0.06 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2ie8 h MET 168 Cb 0.24 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 2ie8 h MET 168 CO -0.00 0.18 0.48 1.49 0.23 0.00 0.00 176.91 179.29 2ie8 h GLU 169 N 0.29 0.92 -0.31 0.39 4.81 -1.05 -1.25 114.58 118.38 2ie8 h GLU 169 Ca 0.15 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2ie8 h GLU 169 Cb 0.11 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2ie8 h GLU 169 CO -0.14 0.61 0.01 -0.22 -0.73 0.00 0.00 179.01 178.54 2ie8 h LYS 170 N 0.95 0.55 -0.38 1.92 1.63 -0.91 -1.51 116.57 118.82 2ie8 h LYS 170 Ca 0.28 -0.17 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2ie8 h LYS 170 Cb -0.05 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 2ie8 h LYS 170 CO -0.08 0.68 0.18 0.93 -3.45 0.00 0.00 179.45 177.70 2ie8 h GLU 171 N 0.35 0.55 -0.70 1.90 4.39 -1.05 -1.93 114.58 118.11 2ie8 h GLU 171 Ca 0.09 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2ie8 h GLU 171 Cb 0.43 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2ie8 h GLU 171 CO 0.01 0.50 0.40 0.28 -1.16 0.00 0.00 179.01 179.04 2ie8 h VAL 172 N 0.47 1.21 -0.10 3.13 2.07 -1.16 -1.94 116.25 119.93 2ie8 h VAL 172 Ca 0.13 -0.50 -0.13 0.00 0.82 0.00 0.00 66.70 67.02 2ie8 h VAL 172 Cb 0.14 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2ie8 h VAL 172 CO -0.01 0.23 -0.51 0.08 0.02 0.00 0.00 177.57 177.37 2ie8 h ARG 173 N 0.96 0.27 -0.28 1.57 0.11 -1.09 -0.84 114.38 115.08 2ie8 h ARG 173 Ca 0.25 -0.16 -0.10 0.00 0.10 0.00 0.00 59.98 60.07 2ie8 h ARG 173 Cb 0.01 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 2ie8 h ARG 173 CO -0.04 0.72 -0.23 0.00 0.10 0.00 0.00 179.97 180.52 2ie8 h ALA 174 N 1.25 0.41 -0.04 0.08 0.00 -1.18 -2.83 119.26 116.96 2ie8 h ALA 174 Ca 0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2ie8 h ALA 174 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2ie8 h ALA 174 CO 0.08 0.38 -0.55 -0.07 0.00 0.00 0.00 179.25 179.09 2ie8 h LEU 175 N 0.40 0.11 -1.19 0.00 3.38 -1.31 -2.96 115.31 113.74 2ie8 h LEU 175 Ca 0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2ie8 h LEU 175 Cb 0.78 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2ie8 h LEU 175 CO 0.06 0.64 -0.09 0.28 0.09 0.00 0.00 178.44 179.42 2ie8 h SER 176 N 0.08 0.43 -0.74 -0.43 0.02 -1.04 -1.95 113.55 109.92 2ie8 h SER 176 Ca -0.00 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2ie8 h SER 176 Cb 1.00 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 2ie8 h SER 176 CO 0.08 0.56 0.49 0.03 -1.14 0.00 0.00 176.83 176.85 2ie8 h ARG 177 N 0.42 0.93 0.00 3.45 3.08 -1.32 -1.12 114.38 119.82 2ie8 h ARG 177 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2ie8 h ARG 177 Cb 0.42 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2ie8 h ARG 177 CO 0.02 0.61 0.00 -0.07 -1.07 0.00 0.00 179.97 179.47 2ie8 h LEU 178 N 0.96 0.00 -1.87 3.04 3.38 -1.42 -2.52 115.31 116.88 2ie8 h LEU 178 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2ie8 h LEU 178 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ie8 h LEU 178 CO -0.07 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.64 2ie8 n LEU 179 N -2.34 2.28 -3.64 1.67 4.77 -0.50 -4.76 117.00 114.49 2ie8 n LEU 179 Ca 0.02 -1.29 -0.27 0.00 -0.03 0.00 0.00 56.01 54.43 2ie8 n LEU 179 Cb 0.23 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 2ie8 n LEU 179 CO 0.20 0.48 -0.05 0.29 -1.33 0.00 0.00 177.39 176.98 2ie8 n LYS 180 N 0.64 1.79 -3.92 3.23 4.76 -0.72 -4.95 118.16 119.00 2ie8 n LYS 180 Ca 0.09 -4.31 -0.40 0.00 -2.87 0.00 0.00 58.31 50.81 2ie8 n LYS 180 Cb 0.34 -2.13 0.03 0.00 -1.84 0.00 0.00 35.03 31.43 2ie8 n LYS 180 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2ie8 n ASP 181 N 1.65 -4.46 -4.74 4.39 8.00 -1.26 -4.90 116.55 115.23 2ie8 n ASP 181 Ca 0.24 -1.18 -0.30 0.00 0.71 0.00 0.00 54.79 54.26 2ie8 n ASP 181 Cb 0.40 -2.39 0.13 0.00 -0.02 0.00 0.00 41.12 39.23 2ie8 n ASP 181 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2ie8 s PRO 182 N -6.83 1.46 0.22 -0.24 0.04 -1.25 -4.95 135.00 123.43 2ie8 s PRO 182 Ca 0.47 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.99 2ie8 s PRO 182 Cb -0.22 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2ie8 s PRO 182 CO 0.93 -2.09 1.59 -1.21 0.04 0.00 0.00 177.00 176.25 2ie8 s GLU 183 N -4.98 4.18 0.28 4.56 2.02 -1.26 -4.96 118.70 118.54 2ie8 s GLU 183 Ca 0.63 2.46 -0.13 0.00 0.02 0.00 0.00 54.97 57.95 2ie8 s GLU 183 Cb -0.17 -3.10 -0.08 0.00 0.10 0.00 0.00 34.13 30.88 2ie8 s GLU 183 CO 0.56 -0.62 0.65 1.03 0.02 0.00 0.00 175.26 176.91 2ie8 s ARG 184 N 0.56 3.92 0.47 1.61 1.81 -1.26 -3.34 118.95 122.72 2ie8 s ARG 184 Ca 0.68 0.49 -0.22 0.00 -1.72 0.00 0.00 55.73 54.97 2ie8 s ARG 184 Cb -0.46 -2.53 -0.08 0.00 -0.45 0.00 0.00 34.95 31.43 2ie8 s ARG 184 CO 0.37 0.23 1.09 -2.14 -0.68 0.00 0.00 175.30 174.17 2ie8 s PRO 185 N -2.89 3.77 -0.28 3.54 0.02 -1.26 -4.34 135.00 133.56 2ie8 s PRO 185 Ca 0.51 1.55 -0.02 0.00 0.02 0.00 0.00 61.00 63.05 2ie8 s PRO 185 Cb -0.11 -2.25 0.04 0.00 0.02 0.00 0.00 34.50 32.20 2ie8 s PRO 185 CO 0.19 -0.49 -0.01 -0.47 -0.33 0.00 0.00 177.00 175.90 2ie8 s TYR 186 N -1.76 3.19 0.02 6.54 6.14 -1.26 -0.47 117.35 129.75 2ie8 s TYR 186 Ca 0.66 -1.67 0.04 0.00 0.64 0.00 0.00 57.07 56.74 2ie8 s TYR 186 Cb -0.22 -2.11 -0.03 0.00 0.42 0.00 0.00 41.96 40.01 2ie8 s TYR 186 CO 0.27 -0.76 -0.09 0.00 0.64 0.00 0.00 175.55 175.61 2ie8 s ALA 187 N 1.30 2.95 -0.04 3.97 0.00 0.75 -1.90 121.76 128.79 2ie8 s ALA 187 Ca -0.03 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 50.93 2ie8 s ALA 187 Cb -0.18 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 2ie8 s ALA 187 CO -0.02 0.61 -0.23 0.08 0.00 0.00 0.00 175.76 176.20 2ie8 s VAL 188 N -1.01 1.87 -0.21 0.00 1.01 -0.32 -1.50 120.40 120.25 2ie8 s VAL 188 Ca 0.17 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2ie8 s VAL 188 Cb -0.11 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2ie8 s VAL 188 CO 0.08 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 2ie8 s VAL 189 N -0.29 2.10 0.02 2.92 1.01 0.46 -1.23 120.40 125.39 2ie8 s VAL 189 Ca 0.02 -1.17 0.09 0.00 0.00 0.00 0.00 61.98 60.92 2ie8 s VAL 189 Cb -0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2ie8 s VAL 189 CO 0.02 0.36 -0.26 -0.76 0.00 0.00 0.00 175.10 174.45 2ie8 s LEU 190 N 1.23 2.13 0.13 3.92 1.43 -0.11 -1.80 118.68 125.61 2ie8 s LEU 190 Ca 0.00 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2ie8 s LEU 190 Cb -0.15 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 2ie8 s LEU 190 CO -0.10 0.28 0.10 -0.83 0.23 0.00 0.00 176.35 176.02 2ie8 s GLY 191 N -1.02 0.81 0.00 -3.19 0.00 -0.68 -1.10 107.32 102.15 2ie8 s GLY 191 Ca 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2ie8 s GLY 191 CO 0.01 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.48 2ie8 n GLY 192 N -0.10 2.80 0.08 0.20 0.00 -1.17 -4.32 105.19 102.69 2ie8 n GLY 192 Ca -0.07 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 2ie8 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ie8 h ALA 193 N 0.00 -0.06 -3.71 4.61 0.00 -1.91 0.70 119.26 118.89 2ie8 h ALA 193 Ca 0.00 -0.32 -0.68 0.00 0.00 0.00 0.00 54.91 53.90 2ie8 h ALA 193 Cb 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.62 2ie8 h ALA 193 CO 0.00 -0.17 -0.71 -1.59 0.00 0.00 0.00 179.25 176.79 2ie8 s LYS 194 N -3.19 2.68 0.11 0.00 0.00 -1.26 -1.97 119.74 116.11 2ie8 s LYS 194 Ca -0.15 -0.60 -0.07 0.00 0.00 0.00 0.00 55.97 55.15 2ie8 s LYS 194 Cb -0.00 -2.54 -0.14 0.00 0.00 0.00 0.00 37.83 35.14 2ie8 s LYS 194 CO 0.60 0.65 1.27 0.28 0.00 0.00 0.00 175.35 178.14 2ie8 h VAL 195 N 4.18 1.37 -0.91 1.79 2.07 -1.89 -3.29 116.25 119.56 2ie8 h VAL 195 Ca -0.48 -2.41 0.26 0.00 0.82 0.00 0.00 66.70 64.89 2ie8 h VAL 195 Cb 1.17 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 33.33 2ie8 h VAL 195 CO 0.52 0.73 0.83 0.77 0.02 0.00 0.00 177.57 180.44 2ie8 h SER 196 N 0.27 0.00 0.52 0.57 4.64 -1.98 0.21 113.55 117.78 2ie8 h SER 196 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2ie8 h SER 196 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 2ie8 h SER 196 CO 0.18 0.00 -0.23 0.47 -0.87 0.00 0.00 176.83 176.37 2ie8 n ASP 197 N -3.75 0.46 -0.09 4.97 8.00 -1.24 -4.01 116.55 120.88 2ie8 n ASP 197 Ca 0.19 -0.29 0.03 0.00 0.71 0.00 0.00 54.79 55.43 2ie8 n ASP 197 Cb 1.13 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 42.19 2ie8 n ASP 197 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ie8 n LYS 198 N -1.20 3.27 -0.06 -1.24 4.76 0.71 -4.73 118.16 119.66 2ie8 n LYS 198 Ca 0.10 -0.31 -0.08 0.00 -2.87 0.00 0.00 58.31 55.15 2ie8 n LYS 198 Cb 0.32 -0.90 -0.02 0.00 -1.84 0.00 0.00 35.03 32.59 2ie8 n LYS 198 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2ie8 h ILE 199 N 0.45 0.76 -0.14 -0.18 2.04 -1.64 0.12 117.51 118.93 2ie8 h ILE 199 Ca 0.00 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 2ie8 h ILE 199 Cb 0.18 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2ie8 h ILE 199 CO 0.00 0.00 -0.16 1.23 0.00 0.00 0.00 178.15 179.22 2ie8 h GLY 200 N 0.00 -0.09 1.63 5.37 0.00 -1.85 -0.46 103.07 107.68 2ie8 h GLY 200 Ca 0.12 0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.52 2ie8 h GLY 200 CO -0.25 -0.16 -0.42 -0.24 0.00 0.00 0.00 176.54 175.47 2ie8 h VAL 201 N -0.20 1.31 0.08 4.60 3.04 -1.84 -2.15 116.25 121.09 2ie8 h VAL 201 Ca 0.10 -1.58 -0.00 0.00 -1.01 0.00 0.00 66.70 64.20 2ie8 h VAL 201 Cb 0.34 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2ie8 h VAL 201 CO -0.25 0.48 -0.04 0.40 -1.01 0.00 0.00 177.57 177.16 2ie8 h ILE 202 N 0.33 0.99 -0.56 3.17 2.04 -0.57 -1.27 117.51 121.65 2ie8 h ILE 202 Ca 0.03 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.74 2ie8 h ILE 202 Cb 0.88 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 2ie8 h ILE 202 CO 0.07 0.06 0.20 -0.33 0.00 0.00 0.00 178.15 178.15 2ie8 h GLU 203 N -0.21 0.37 -0.94 2.37 5.08 -0.97 -1.09 114.58 119.19 2ie8 h GLU 203 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2ie8 h GLU 203 Cb 0.17 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2ie8 h GLU 203 CO 0.02 0.25 0.57 0.77 -1.00 0.00 0.00 179.01 179.61 2ie8 h SER 204 N 0.38 1.13 0.84 1.42 0.02 -1.15 -3.19 113.55 113.00 2ie8 h SER 204 Ca 0.27 -0.07 -0.24 0.00 -0.84 0.00 0.00 61.79 60.92 2ie8 h SER 204 Cb 0.32 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2ie8 h SER 204 CO -0.28 0.87 -1.12 -0.07 -1.14 0.00 0.00 176.83 175.09 2ie8 h LEU 205 N 1.30 0.17 -0.97 5.07 3.38 -0.72 -3.39 115.31 120.15 2ie8 h LEU 205 Ca 0.34 -0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.28 2ie8 h LEU 205 Cb -0.06 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 40.47 2ie8 h LEU 205 CO -0.06 1.14 -0.37 -0.07 0.09 0.00 0.00 178.44 179.17 2ie8 h LEU 206 N 0.03 -1.35 0.00 1.67 3.38 -1.20 0.24 115.31 118.09 2ie8 h LEU 206 Ca -0.07 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2ie8 h LEU 206 Cb 1.86 0.73 0.00 0.00 0.09 0.00 0.00 40.66 43.34 2ie8 h LEU 206 CO 0.16 -0.29 0.00 -0.81 0.09 0.00 0.00 178.44 177.58 2ie8 n PRO 207 N -5.49 0.46 0.00 1.13 -0.04 -1.26 -2.94 135.00 126.86 2ie8 n PRO 207 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2ie8 n PRO 207 Cb 0.41 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2ie8 n PRO 207 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ie8 n ARG 208 N -0.89 5.80 -3.28 0.54 1.74 0.81 -5.07 116.66 116.30 2ie8 n ARG 208 Ca 0.09 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 2ie8 n ARG 208 Cb 0.04 -0.56 -0.01 0.00 -1.02 0.00 0.00 32.46 30.91 2ie8 n ARG 208 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ie8 s ILE 209 N -1.11 2.90 -0.01 0.55 -1.09 -0.93 -4.92 121.20 116.59 2ie8 s ILE 209 Ca 0.00 -1.16 0.01 0.00 -2.23 0.00 0.00 60.65 57.28 2ie8 s ILE 209 Cb 0.00 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 2ie8 s ILE 209 CO 0.00 -0.01 0.02 0.47 -1.23 0.00 0.00 174.94 174.19 2ie8 n ASP 210 N -1.70 4.67 -3.80 3.58 8.00 -0.80 -4.73 116.55 121.77 2ie8 n ASP 210 Ca 0.06 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 2ie8 n ASP 210 Cb 0.60 0.79 -0.14 0.00 -0.02 0.00 0.00 41.12 42.35 2ie8 n ASP 210 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ie8 s ARG 211 N -2.07 0.08 -0.20 -1.24 0.52 -1.09 -1.49 118.95 113.46 2ie8 s ARG 211 Ca -0.01 0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.42 2ie8 s ARG 211 Cb 0.01 -0.07 0.05 0.00 0.52 0.00 0.00 34.95 35.45 2ie8 s ARG 211 CO 0.06 -0.09 -0.08 -1.17 0.02 0.00 0.00 175.30 174.04 2ie8 s LEU 212 N 0.57 2.25 -0.20 2.53 0.20 0.13 -1.17 118.68 122.99 2ie8 s LEU 212 Ca -0.04 -0.92 -0.08 0.00 0.69 0.00 0.00 54.13 53.78 2ie8 s LEU 212 Cb -0.06 -1.17 -0.04 0.00 -0.43 0.00 0.00 46.19 44.49 2ie8 s LEU 212 CO -0.02 -0.17 0.07 -0.76 -0.29 0.00 0.00 176.35 175.18 2ie8 s LEU 213 N 1.43 3.73 -0.14 -0.68 2.01 -0.37 -0.09 118.68 124.57 2ie8 s LEU 213 Ca -0.02 0.01 0.01 0.00 0.01 0.00 0.00 54.13 54.14 2ie8 s LEU 213 Cb -0.17 -1.96 0.02 0.00 0.01 0.00 0.00 46.19 44.09 2ie8 s LEU 213 CO -0.08 0.12 -0.18 -0.63 1.01 0.00 0.00 176.35 176.59 2ie8 s ILE 214 N 0.72 1.79 0.19 -0.59 1.01 -0.72 -0.93 121.20 122.67 2ie8 s ILE 214 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2ie8 s ILE 214 Cb -0.13 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2ie8 s ILE 214 CO 0.02 0.50 0.06 0.61 0.00 0.00 0.00 174.94 176.13 2ie8 n GLY 215 N 4.40 3.73 1.75 6.18 0.00 -0.25 -4.17 105.19 116.82 2ie8 n GLY 215 Ca -0.19 -2.03 0.01 0.00 0.00 0.00 0.00 46.02 43.81 2ie8 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ie8 n GLY 216 N 1.01 -2.21 0.31 -0.02 0.00 -0.44 -3.38 105.19 100.47 2ie8 n GLY 216 Ca -0.03 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.55 2ie8 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ie8 h ALA 217 N -0.05 1.79 -0.22 4.61 0.00 -1.55 -2.35 119.26 121.49 2ie8 h ALA 217 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2ie8 h ALA 217 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ie8 h ALA 217 CO 0.00 0.17 0.24 0.00 0.00 0.00 0.00 179.25 179.67 2ie8 h MET 218 N 0.46 0.00 0.00 0.00 -0.00 0.10 -1.52 114.93 113.97 2ie8 h MET 218 Ca 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.81 2ie8 h MET 218 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 2ie8 h MET 218 CO -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 176.91 176.71 2ie8 h ALA 219 N 1.73 1.28 0.00 -3.00 0.00 -1.56 -2.82 119.26 114.89 2ie8 h ALA 219 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2ie8 h ALA 219 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2ie8 h ALA 219 CO -0.00 0.21 -0.26 0.74 0.00 0.00 0.00 179.25 179.94 2ie8 h PHE 220 N 0.00 0.00 -0.54 0.00 0.04 -1.47 -0.41 116.94 114.57 2ie8 h PHE 220 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2ie8 h PHE 220 Cb 0.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 2ie8 h PHE 220 CO 0.00 0.26 -0.13 1.15 -0.60 0.00 0.00 178.31 178.99 2ie8 h THR 221 N 0.00 1.27 -0.22 -1.55 2.02 -1.65 0.53 112.91 113.31 2ie8 h THR 221 Ca -0.00 -1.30 -0.04 0.00 0.77 0.00 0.00 66.41 65.84 2ie8 h THR 221 Cb 0.72 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2ie8 h THR 221 CO 0.03 0.46 -0.02 -0.26 0.37 0.00 0.00 175.52 176.10 2ie8 h PHE 222 N 0.91 0.44 -0.14 3.16 0.04 -1.46 -0.92 116.94 118.97 2ie8 h PHE 222 Ca 0.14 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.83 2ie8 h PHE 222 Cb 0.71 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2ie8 h PHE 222 CO 0.05 0.61 0.08 -0.07 -0.60 0.00 0.00 178.31 178.37 2ie8 h LEU 223 N 0.15 0.13 -1.18 1.54 4.07 -0.93 -1.57 115.31 117.51 2ie8 h LEU 223 Ca 0.06 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.09 2ie8 h LEU 223 Cb 0.44 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.10 2ie8 h LEU 223 CO 0.02 0.09 0.57 0.50 -1.08 0.00 0.00 178.44 178.54 2ie8 h LYS 224 N 0.16 0.96 0.00 1.13 1.63 -0.86 0.13 116.57 119.72 2ie8 h LYS 224 Ca 0.05 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2ie8 h LYS 224 Cb -0.00 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.41 2ie8 h LYS 224 CO -0.03 0.63 -0.09 0.00 -3.45 0.00 0.00 179.45 176.51 2ie8 h ALA 225 N 1.52 1.33 -0.42 5.00 0.00 -0.22 0.13 119.26 126.61 2ie8 h ALA 225 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2ie8 h ALA 225 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ie8 h ALA 225 CO -0.14 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.50 2ie8 n LEU 226 N -3.68 2.37 0.00 0.00 4.77 0.36 -4.88 117.00 115.94 2ie8 n LEU 226 Ca -0.02 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 2ie8 n LEU 226 Cb 0.20 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2ie8 n LEU 226 CO 0.29 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2ie8 n GLY 227 N 1.22 0.64 3.89 -0.72 0.00 0.47 -5.07 105.19 105.61 2ie8 n GLY 227 Ca 0.15 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2ie8 n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ie8 s GLY 228 N -2.51 1.62 -0.40 -0.02 0.00 -0.62 -4.98 107.32 100.42 2ie8 s GLY 228 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 2ie8 s GLY 228 CO 0.00 -0.00 0.21 -0.54 0.00 0.00 0.00 173.10 172.77 2ie8 s GLU 229 N -5.37 2.40 -0.09 2.90 0.41 -0.59 -4.51 118.70 113.84 2ie8 s GLU 229 Ca 0.58 -1.55 0.19 0.00 -0.41 0.00 0.00 54.97 53.79 2ie8 s GLU 229 Cb -0.11 -3.64 0.70 0.00 -1.78 0.00 0.00 34.13 29.29 2ie8 s GLU 229 CO 0.51 -0.95 1.61 1.33 -0.49 0.00 0.00 175.26 177.27 2ie8 n VAL 230 N 4.78 1.70 -0.69 2.63 0.24 -1.26 -1.06 118.33 124.67 2ie8 n VAL 230 Ca -0.08 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 2ie8 n VAL 230 Cb 0.42 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2ie8 n VAL 230 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ie8 n GLY 231 N 1.16 3.48 1.02 7.63 0.00 -0.96 -1.59 105.19 115.94 2ie8 n GLY 231 Ca 0.25 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2ie8 n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ie8 n ARG 232 N 14.00 2.56 -1.76 1.61 1.74 -0.45 -4.89 116.66 129.47 2ie8 n ARG 232 Ca 0.00 -1.60 -0.38 0.00 -0.77 0.00 0.00 57.85 55.10 2ie8 n ARG 232 Cb 0.00 -1.63 0.06 0.00 -1.02 0.00 0.00 32.46 29.87 2ie8 n ARG 232 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2ie8 s SER 233 N -0.71 4.92 0.03 0.55 0.01 -0.62 -4.75 113.70 113.13 2ie8 s SER 233 Ca 0.29 2.69 -0.30 0.00 1.31 0.00 0.00 55.95 59.93 2ie8 s SER 233 Cb 0.19 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 2ie8 s SER 233 CO 0.14 -1.80 1.55 -0.22 0.41 0.00 0.00 173.24 173.31 2ie8 s LEU 234 N -3.97 4.34 0.00 2.44 2.96 -1.26 -5.00 118.68 118.20 2ie8 s LEU 234 Ca 0.77 2.32 -0.02 0.00 -0.22 0.00 0.00 54.13 56.99 2ie8 s LEU 234 Cb -0.39 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.73 2ie8 s LEU 234 CO 0.43 -0.82 0.03 -0.69 -1.32 0.00 0.00 176.35 173.98 2ie8 s VAL 235 N 2.61 0.07 -0.67 1.68 1.01 -1.26 -4.42 120.40 119.40 2ie8 s VAL 235 Ca 0.70 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 2ie8 s VAL 235 Cb -0.36 -0.23 0.17 0.00 0.00 0.00 0.00 36.38 35.97 2ie8 s VAL 235 CO 0.30 -0.30 0.60 -1.61 0.00 0.00 0.00 175.10 174.08 2ie8 s GLU 236 N -0.91 3.15 0.41 2.72 2.02 -1.26 -4.91 118.70 119.92 2ie8 s GLU 236 Ca -0.10 -2.17 0.17 0.00 0.02 0.00 0.00 54.97 52.90 2ie8 s GLU 236 Cb -0.06 -4.24 1.08 0.00 0.10 0.00 0.00 34.13 31.01 2ie8 s GLU 236 CO -0.00 -1.27 1.84 1.49 0.02 0.00 0.00 175.26 177.33 2ie8 h GLU 237 N 8.09 0.40 0.00 1.61 4.22 -1.99 0.24 114.58 127.15 2ie8 h GLU 237 Ca -0.06 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.35 2ie8 h GLU 237 Cb 1.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2ie8 h GLU 237 CO 0.84 0.27 0.00 -0.25 -2.18 0.00 0.00 179.01 177.69 2ie8 n ASP 238 N -4.53 0.00 0.00 1.04 8.00 -1.26 -2.62 116.55 117.18 2ie8 n ASP 238 Ca 0.20 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2ie8 n ASP 238 Cb 0.73 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 2ie8 n ASP 238 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ie8 n ARG 239 N -1.12 0.71 -0.34 -1.24 5.12 0.84 -4.77 116.66 115.85 2ie8 n ARG 239 Ca 0.07 -0.24 0.11 0.00 -1.93 0.00 0.00 57.85 55.87 2ie8 n ARG 239 Cb 0.06 -0.69 0.31 0.00 -1.16 0.00 0.00 32.46 30.98 2ie8 n ARG 239 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2ie8 h LEU 240 N 0.00 0.79 0.13 0.55 3.38 -1.27 -0.17 115.31 118.72 2ie8 h LEU 240 Ca 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2ie8 h LEU 240 Cb 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2ie8 h LEU 240 CO 0.00 0.35 -0.06 0.44 0.09 0.00 0.00 178.44 179.26 2ie8 h ASP 241 N 0.81 -0.15 0.15 -0.43 3.32 -1.86 -2.71 116.42 115.55 2ie8 h ASP 241 Ca 0.53 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.32 2ie8 h ASP 241 Cb 0.76 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 2ie8 h ASP 241 CO -0.31 0.06 -0.43 0.25 -1.72 0.00 0.00 179.24 177.10 2ie8 h LEU 242 N -0.35 0.37 -0.84 1.55 5.85 -1.76 -2.86 115.31 117.27 2ie8 h LEU 242 Ca -0.02 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.56 2ie8 h LEU 242 Cb 0.28 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2ie8 h LEU 242 CO 0.03 0.75 0.55 0.00 -0.34 0.00 0.00 178.44 179.43 2ie8 h ALA 243 N 1.26 1.09 -0.11 1.25 0.00 -1.01 -0.33 119.26 121.42 2ie8 h ALA 243 Ca 0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2ie8 h ALA 243 Cb 0.87 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2ie8 h ALA 243 CO 0.07 0.42 -0.38 -0.22 0.00 0.00 0.00 179.25 179.14 2ie8 h LYS 244 N 1.09 0.23 -0.29 0.00 3.64 -1.31 -2.70 116.57 117.23 2ie8 h LYS 244 Ca 0.32 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2ie8 h LYS 244 Cb -0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2ie8 h LYS 244 CO -0.09 0.59 -0.39 0.22 -2.27 0.00 0.00 179.45 177.50 2ie8 h ASP 245 N 0.20 0.74 -0.77 4.20 3.58 -1.13 -2.86 116.42 120.38 2ie8 h ASP 245 Ca 0.02 -0.33 -0.05 0.00 0.42 0.00 0.00 57.03 57.09 2ie8 h ASP 245 Cb 0.77 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 2ie8 h ASP 245 CO 0.06 1.04 0.27 -0.07 -2.88 0.00 0.00 179.24 177.67 2ie8 h LEU 246 N 0.57 1.09 -0.91 2.28 3.38 -0.79 -1.49 115.31 119.44 2ie8 h LEU 246 Ca 0.05 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2ie8 h LEU 246 Cb 0.93 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2ie8 h LEU 246 CO 0.08 0.99 0.13 -0.07 0.09 0.00 0.00 178.44 179.66 2ie8 h LEU 247 N 1.13 0.87 0.36 1.67 3.38 -1.43 -1.67 115.31 119.62 2ie8 h LEU 247 Ca 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2ie8 h LEU 247 Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ie8 h LEU 247 CO -0.01 0.86 -0.17 1.23 0.09 0.00 0.00 178.44 180.43 2ie8 h GLY 248 N 1.02 -0.51 1.73 0.83 0.00 -1.18 -2.45 103.07 102.50 2ie8 h GLY 248 Ca 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2ie8 h GLY 248 CO 0.00 -0.19 0.14 0.07 0.00 0.00 0.00 176.54 176.57 2ie8 h ARG 249 N -0.62 0.36 0.41 4.80 0.11 -1.23 -1.51 114.38 116.70 2ie8 h ARG 249 Ca -0.05 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2ie8 h ARG 249 Cb 0.45 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 2ie8 h ARG 249 CO 0.08 0.27 -0.35 0.00 0.10 0.00 0.00 179.97 180.07 2ie8 h ALA 250 N 1.79 -0.80 -0.56 0.08 0.00 -1.13 0.19 119.26 118.83 2ie8 h ALA 250 Ca 0.10 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2ie8 h ALA 250 Cb 0.02 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2ie8 h ALA 250 CO -0.02 -0.98 0.23 1.49 0.00 0.00 0.00 179.25 179.97 2ie8 h GLU 251 N -0.77 0.41 0.00 0.00 4.81 -0.95 -0.04 114.58 118.04 2ie8 h GLU 251 Ca -0.04 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2ie8 h GLU 251 Cb 0.67 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 2ie8 h GLU 251 CO -0.03 0.27 -0.13 0.00 -0.73 0.00 0.00 179.01 178.40 2ie8 h ALA 252 N 1.37 1.55 -0.01 2.92 0.00 -0.86 -0.37 119.26 123.86 2ie8 h ALA 252 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ie8 h ALA 252 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ie8 h ALA 252 CO -0.26 0.16 -0.09 1.28 0.00 0.00 0.00 179.25 180.35 2ie8 n LEU 253 N -4.05 1.35 -0.55 0.00 4.77 0.63 -4.94 117.00 114.21 2ie8 n LEU 253 Ca -0.02 -0.42 -0.03 0.00 -0.03 0.00 0.00 56.01 55.51 2ie8 n LEU 253 Cb 0.21 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2ie8 n LEU 253 CO 0.33 0.23 -0.01 0.61 -1.33 0.00 0.00 177.39 177.23 2ie8 n GLY 254 N 1.23 0.48 3.52 -0.72 0.00 -0.15 -5.00 105.19 104.56 2ie8 n GLY 254 Ca 0.17 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 2ie8 n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ie8 s VAL 255 N -2.52 4.17 -0.13 1.61 1.01 -0.18 -4.83 120.40 119.53 2ie8 s VAL 255 Ca 0.03 -0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 2ie8 s VAL 255 Cb -0.01 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 2ie8 s VAL 255 CO 0.04 0.46 0.91 -0.13 0.00 0.00 0.00 175.10 176.37 2ie8 s ARG 256 N 0.61 4.37 -0.14 2.72 0.52 -0.55 -4.07 118.95 122.41 2ie8 s ARG 256 Ca -0.00 1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 56.36 2ie8 s ARG 256 Cb -0.14 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 2ie8 s ARG 256 CO 0.02 -0.29 -0.00 0.08 0.02 0.00 0.00 175.30 175.13 2ie8 s VAL 257 N 1.95 4.24 -0.10 3.52 1.01 -1.26 0.21 120.40 129.96 2ie8 s VAL 257 Ca 0.43 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2ie8 s VAL 257 Cb -0.18 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2ie8 s VAL 257 CO 0.16 0.52 -0.22 -0.31 0.00 0.00 0.00 175.10 175.25 2ie8 s TYR 258 N -0.06 2.60 0.24 5.22 1.51 0.87 -4.95 117.35 122.78 2ie8 s TYR 258 Ca 0.03 -0.95 0.10 0.00 -1.01 0.00 0.00 57.07 55.24 2ie8 s TYR 258 Cb -0.13 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 2ie8 s TYR 258 CO 0.02 -0.37 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.42 2ie8 s LEU 259 N 0.31 2.57 0.41 -1.29 1.43 -1.26 -1.75 118.68 119.10 2ie8 s LEU 259 Ca -0.16 -1.03 -0.27 0.00 -1.03 0.00 0.00 54.13 51.64 2ie8 s LEU 259 Cb -0.17 -0.87 -0.09 0.00 0.03 0.00 0.00 46.19 45.09 2ie8 s LEU 259 CO 0.08 -0.08 1.42 -2.84 0.23 0.00 0.00 176.35 175.16 2ie8 s PRO 260 N -3.59 3.92 -0.01 1.29 0.02 -1.26 -4.92 135.00 130.46 2ie8 s PRO 260 Ca 0.26 2.41 0.11 0.00 0.02 0.00 0.00 61.00 63.80 2ie8 s PRO 260 Cb -0.03 -2.81 -0.14 0.00 0.02 0.00 0.00 34.50 31.54 2ie8 s PRO 260 CO 0.11 -0.62 0.33 -0.85 -0.33 0.00 0.00 177.00 175.63 2ie8 n GLU 261 N 0.15 1.77 -3.79 5.54 0.28 -1.26 -4.67 120.64 118.66 2ie8 n GLU 261 Ca 0.03 -0.05 -0.10 0.00 -0.16 0.00 0.00 57.16 56.87 2ie8 n GLU 261 Cb 0.41 -1.14 -0.07 0.00 1.43 0.00 0.00 31.44 32.07 2ie8 n GLU 261 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2ie8 s ASP 262 N -2.68 -0.03 0.11 -1.84 -4.77 -1.26 -0.48 116.67 105.73 2ie8 s ASP 262 Ca -0.00 -0.39 -0.03 0.00 -3.30 0.00 0.00 52.55 48.83 2ie8 s ASP 262 Cb 0.07 0.35 -0.03 0.00 -1.09 0.00 0.00 42.92 42.22 2ie8 s ASP 262 CO 0.44 -0.67 0.08 0.68 0.70 0.00 0.00 175.17 176.40 2ie8 s VAL 263 N -3.12 0.14 -0.26 2.11 -7.23 -0.19 -0.93 120.40 110.92 2ie8 s VAL 263 Ca -0.01 -1.74 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 2ie8 s VAL 263 Cb 0.01 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 2ie8 s VAL 263 CO -0.07 -0.62 0.11 0.68 -0.31 0.00 0.00 175.10 174.89 2ie8 s VAL 264 N -3.98 4.66 0.29 1.32 -7.23 -0.19 -2.14 120.40 113.14 2ie8 s VAL 264 Ca 0.16 -0.05 0.09 0.00 -1.81 0.00 0.00 61.98 60.37 2ie8 s VAL 264 Cb 0.07 -3.19 -0.06 0.00 0.56 0.00 0.00 36.38 33.76 2ie8 s VAL 264 CO -0.03 0.31 -0.12 0.00 -0.31 0.00 0.00 175.10 174.95 2ie8 s ALA 265 N 1.63 2.62 0.24 1.32 0.00 0.39 -1.32 121.76 126.64 2ie8 s ALA 265 Ca 0.06 -1.93 -0.14 0.00 0.00 0.00 0.00 51.96 49.95 2ie8 s ALA 265 Cb -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2ie8 s ALA 265 CO 0.06 0.10 0.51 0.00 0.00 0.00 0.00 175.76 176.43 2ie8 s ALA 266 N -2.73 -0.48 -0.64 0.00 0.00 -0.87 -1.55 121.76 115.49 2ie8 s ALA 266 Ca 0.30 -0.68 0.24 0.00 0.00 0.00 0.00 51.96 51.81 2ie8 s ALA 266 Cb 0.00 0.99 0.37 0.00 0.00 0.00 0.00 23.12 24.47 2ie8 s ALA 266 CO 0.14 -0.86 1.34 0.39 0.00 0.00 0.00 175.76 176.77 2ie8 n GLU 267 N -0.37 0.29 -3.68 0.00 1.02 -1.26 -0.51 120.64 116.14 2ie8 n GLU 267 Ca -0.04 0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 2ie8 n GLU 267 Cb 0.62 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 2ie8 n GLU 267 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2ie8 s ARG 268 N -3.17 0.74 -0.67 3.49 3.52 -1.26 -4.87 118.95 116.73 2ie8 s ARG 268 Ca 0.06 0.26 -0.26 0.00 -0.13 0.00 0.00 55.73 55.67 2ie8 s ARG 268 Cb 0.13 0.35 0.04 0.00 -1.56 0.00 0.00 34.95 33.91 2ie8 s ARG 268 CO 0.71 -0.18 1.14 0.42 -0.81 0.00 0.00 175.30 176.59 2ie8 s ILE 269 N -0.69 4.01 -0.12 4.11 1.01 -1.26 -4.92 121.20 123.33 2ie8 s ILE 269 Ca -0.08 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 2ie8 s ILE 269 Cb -0.03 -4.78 0.04 0.00 0.01 0.00 0.00 42.46 37.70 2ie8 s ILE 269 CO 0.04 -1.58 0.43 -1.61 0.00 0.00 0.00 174.94 172.22 2ie8 s GLU 270 N 4.96 0.59 0.10 2.79 0.41 -1.26 -5.10 118.70 121.19 2ie8 s GLU 270 Ca 0.32 0.40 -0.31 0.00 -0.41 0.00 0.00 54.97 54.97 2ie8 s GLU 270 Cb -0.11 0.28 -0.09 0.00 -1.78 0.00 0.00 34.13 32.43 2ie8 s GLU 270 CO 0.16 -0.11 1.66 0.00 -0.49 0.00 0.00 175.26 176.48 2ie8 s ALA 271 N -0.23 3.73 0.00 5.21 0.00 -1.26 -2.06 121.76 127.14 2ie8 s ALA 271 Ca -0.04 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2ie8 s ALA 271 Cb -0.03 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2ie8 s ALA 271 CO 0.02 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2ie8 n GLY 272 N 3.98 1.56 3.53 0.00 0.00 -1.26 -5.02 105.19 107.97 2ie8 n GLY 272 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2ie8 n GLY 272 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2ie8 n VAL 273 N -2.00 2.81 -2.22 1.61 3.14 -0.87 -4.91 118.33 115.88 2ie8 n VAL 273 Ca 0.00 -0.49 -0.41 0.00 -2.96 0.00 0.00 64.34 60.48 2ie8 n VAL 273 Cb 0.00 -0.87 -0.03 0.00 -1.06 0.00 0.00 33.84 31.88 2ie8 n VAL 273 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2ie8 s GLU 274 N -2.45 4.41 0.35 1.45 2.12 -1.26 -5.02 118.70 118.30 2ie8 s GLU 274 Ca 0.72 2.06 0.08 0.00 0.36 0.00 0.00 54.97 58.18 2ie8 s GLU 274 Cb -0.42 -3.17 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 2ie8 s GLU 274 CO 0.52 -0.18 -0.05 0.95 -0.54 0.00 0.00 175.26 175.95 2ie8 s THR 275 N -0.31 1.99 -0.01 -1.70 -4.23 -1.26 -4.65 115.64 105.47 2ie8 s THR 275 Ca 0.54 -2.12 -0.05 0.00 -1.18 0.00 0.00 61.69 58.88 2ie8 s THR 275 Cb -0.37 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2ie8 s THR 275 CO 0.42 -0.15 0.10 -0.13 -0.54 0.00 0.00 174.62 174.32 2ie8 s ARG 276 N -3.68 0.34 -0.17 3.99 0.52 -0.60 -4.97 118.95 114.39 2ie8 s ARG 276 Ca 0.33 -0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 55.20 2ie8 s ARG 276 Cb 0.05 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 2ie8 s ARG 276 CO 0.16 -0.07 0.09 0.08 0.02 0.00 0.00 175.30 175.58 2ie8 s VAL 277 N -0.95 5.03 0.18 3.52 1.01 -1.26 -0.46 120.40 127.47 2ie8 s VAL 277 Ca -0.10 0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2ie8 s VAL 277 Cb -0.06 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 2ie8 s VAL 277 CO 0.01 0.50 0.01 -0.36 0.00 0.00 0.00 175.10 175.25 2ie8 s PHE 278 N 0.01 1.27 0.46 5.22 0.40 -0.91 -4.97 117.98 119.46 2ie8 s PHE 278 Ca 0.07 -1.01 -0.23 0.00 -0.60 0.00 0.00 56.93 55.16 2ie8 s PHE 278 Cb -0.12 -0.72 -0.07 0.00 0.51 0.00 0.00 43.02 42.62 2ie8 s PHE 278 CO 0.00 -0.20 1.19 -2.14 0.70 0.00 0.00 175.22 174.78 2ie8 s PRO 279 N -3.91 3.72 0.55 0.24 0.02 -1.26 -1.02 135.00 133.33 2ie8 s PRO 279 Ca 0.25 1.84 0.27 0.00 0.02 0.00 0.00 61.00 63.38 2ie8 s PRO 279 Cb 0.06 -2.42 1.57 0.00 0.02 0.00 0.00 34.50 33.74 2ie8 s PRO 279 CO 0.05 -0.60 2.14 0.00 -0.33 0.00 0.00 177.00 178.26 2ie8 h ALA 280 N 2.04 1.42 -0.45 -1.55 0.00 -1.05 -2.37 119.26 117.30 2ie8 h ALA 280 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2ie8 h ALA 280 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ie8 h ALA 280 CO 0.60 0.09 0.00 0.54 0.00 0.00 0.00 179.25 180.48 2ie8 n ARG 281 N -3.78 3.65 -2.94 0.00 1.74 -1.26 -4.58 116.66 109.49 2ie8 n ARG 281 Ca -0.02 -2.85 -0.13 0.00 -0.77 0.00 0.00 57.85 54.07 2ie8 n ARG 281 Cb 0.17 -1.90 0.03 0.00 -1.02 0.00 0.00 32.46 29.74 2ie8 n ARG 281 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ie8 n ALA 282 N 0.31 1.05 -2.56 7.54 0.00 -0.89 -1.54 120.51 124.42 2ie8 n ALA 282 Ca 0.23 -2.52 -0.42 0.00 0.00 0.00 0.00 53.44 50.74 2ie8 n ALA 282 Cb 0.92 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 2ie8 n ALA 282 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ie8 s ILE 283 N -1.32 4.92 0.03 0.00 1.01 -0.22 -4.22 121.20 121.40 2ie8 s ILE 283 Ca 0.31 0.45 -0.33 0.00 0.00 0.00 0.00 60.65 61.08 2ie8 s ILE 283 Cb 0.34 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 2ie8 s ILE 283 CO -0.06 -0.32 1.79 -2.65 0.00 0.00 0.00 174.94 173.70 2ie8 n PRO 284 N 5.97 2.32 0.00 2.79 -0.02 -1.26 -2.26 135.00 142.54 2ie8 n PRO 284 Ca -0.02 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2ie8 n PRO 284 Cb 0.49 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2ie8 n PRO 284 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2ie8 n VAL 285 N 4.57 0.00 -0.31 -1.45 0.31 -1.26 -1.24 118.33 118.96 2ie8 n VAL 285 Ca 0.20 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.73 2ie8 n VAL 285 Cb 0.31 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 33.63 2ie8 n VAL 285 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2ie8 n PRO 286 N -0.72 -0.07 -2.09 5.55 -0.04 -1.26 -1.36 135.00 135.01 2ie8 n PRO 286 Ca 0.00 1.34 -0.33 0.00 -0.04 0.00 0.00 63.50 64.47 2ie8 n PRO 286 Cb 0.00 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 2ie8 n PRO 286 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2ie8 s TYR 287 N -5.69 3.07 -0.04 0.54 1.51 -0.37 -4.66 117.35 111.71 2ie8 s TYR 287 Ca -0.10 1.50 0.06 0.00 -1.01 0.00 0.00 57.07 57.51 2ie8 s TYR 287 Cb 0.29 -2.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 2ie8 s TYR 287 CO 0.72 -1.00 -0.22 -1.64 -1.11 0.00 0.00 175.55 172.31 2ie8 s MET 288 N -4.11 2.07 -0.13 -0.62 -1.94 0.33 -1.34 119.30 113.57 2ie8 s MET 288 Ca 0.63 -0.77 -0.29 0.00 -1.71 0.00 0.00 55.69 53.54 2ie8 s MET 288 Cb -0.15 -1.83 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 2ie8 s MET 288 CO 0.37 0.36 1.04 0.20 -0.01 0.00 0.00 175.02 176.98 2ie8 s GLY 289 N -0.20 2.18 0.00 -0.03 0.00 -1.26 -2.05 107.32 105.95 2ie8 s GLY 289 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2ie8 s GLY 289 CO 0.02 2.02 0.75 1.04 0.00 0.00 0.00 173.10 176.93 2ie8 n LEU 290 N 5.34 1.46 -3.61 0.66 4.77 -0.44 -4.80 117.00 120.38 2ie8 n LEU 290 Ca 0.10 -1.46 -0.04 0.00 -0.03 0.00 0.00 56.01 54.58 2ie8 n LEU 290 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 2ie8 n LEU 290 CO 0.52 0.37 1.04 -0.62 -1.33 0.00 0.00 177.39 177.37 2ie8 s ASP 291 N -0.53 -0.12 0.31 -1.43 2.15 -1.17 -1.51 116.67 114.37 2ie8 s ASP 291 Ca 0.00 0.06 -0.28 0.00 0.43 0.00 0.00 52.55 52.76 2ie8 s ASP 291 Cb 0.00 0.11 -0.09 0.00 -0.30 0.00 0.00 42.92 42.64 2ie8 s ASP 291 CO 0.00 -0.16 1.12 0.27 -0.17 0.00 0.00 175.17 176.23 2ie8 s ILE 292 N -1.78 3.41 0.94 4.11 -4.36 -1.22 -1.02 121.20 121.28 2ie8 s ILE 292 Ca 0.08 1.35 -0.15 0.00 -0.26 0.00 0.00 60.65 61.67 2ie8 s ILE 292 Cb -0.01 -3.83 0.17 0.00 1.25 0.00 0.00 42.46 40.04 2ie8 s ILE 292 CO -0.05 0.27 1.24 -0.83 0.24 0.00 0.00 174.94 175.81 2ie8 s GLY 293 N -0.96 1.68 0.22 6.27 0.00 -0.10 -4.53 107.32 109.90 2ie8 s GLY 293 Ca 0.48 -0.94 -0.08 0.00 0.00 0.00 0.00 44.72 44.17 2ie8 s GLY 293 CO 0.40 -0.26 1.82 -0.56 0.00 0.00 0.00 173.10 174.50 2ie8 h PRO 294 N -1.58 0.73 -0.75 2.90 0.13 -1.92 -1.03 132.00 130.47 2ie8 h PRO 294 Ca -0.46 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2ie8 h PRO 294 Cb 1.28 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2ie8 h PRO 294 CO 0.48 0.48 0.31 0.87 -0.23 0.00 0.00 178.00 179.91 2ie8 h LYS 295 N 0.75 1.12 -0.60 0.86 1.57 -1.94 -1.78 116.57 116.55 2ie8 h LYS 295 Ca 0.32 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2ie8 h LYS 295 Cb 0.19 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2ie8 h LYS 295 CO -0.18 0.91 0.13 1.15 -0.57 0.00 0.00 179.45 180.89 2ie8 h THR 296 N 1.08 1.25 -0.82 -0.16 2.02 -1.71 0.13 112.91 114.70 2ie8 h THR 296 Ca 0.25 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 2ie8 h THR 296 Cb 0.20 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 2ie8 h THR 296 CO -0.02 0.35 0.42 0.03 0.37 0.00 0.00 175.52 176.67 2ie8 h ARG 297 N 0.88 1.16 0.12 6.66 3.08 -0.95 -0.46 114.38 124.87 2ie8 h ARG 297 Ca 0.19 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2ie8 h ARG 297 Cb 0.37 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2ie8 h ARG 297 CO 0.00 0.87 -0.06 0.93 -1.07 0.00 0.00 179.97 180.65 2ie8 h GLU 298 N 1.16 -0.15 -0.70 0.04 4.39 -0.69 -2.21 114.58 116.42 2ie8 h GLU 298 Ca 0.29 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 2ie8 h GLU 298 Cb 0.07 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2ie8 h GLU 298 CO -0.04 0.06 0.34 0.00 -1.16 0.00 0.00 179.01 178.21 2ie8 h ALA 299 N 0.51 1.28 -0.39 3.43 0.00 -0.55 -1.74 119.26 121.81 2ie8 h ALA 299 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2ie8 h ALA 299 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ie8 h ALA 299 CO 0.03 0.56 0.13 0.74 0.00 0.00 0.00 179.25 180.71 2ie8 h PHE 300 N 0.99 0.62 -0.55 0.00 -1.00 -1.04 0.69 116.94 116.65 2ie8 h PHE 300 Ca 0.24 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.91 2ie8 h PHE 300 Cb 0.09 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 2ie8 h PHE 300 CO 0.01 0.58 0.11 0.00 -1.61 0.00 0.00 178.31 177.40 2ie8 h ALA 301 N 0.98 1.16 -0.38 2.45 0.00 -1.12 -2.11 119.26 120.24 2ie8 h ALA 301 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2ie8 h ALA 301 Cb 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ie8 h ALA 301 CO -0.01 0.57 -0.20 0.00 0.00 0.00 0.00 179.25 179.61 2ie8 h ARG 302 N 0.83 0.74 0.00 0.00 3.08 -0.90 -2.67 114.38 115.45 2ie8 h ARG 302 Ca 0.18 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 2ie8 h ARG 302 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2ie8 h ARG 302 CO 0.00 0.88 -0.23 0.00 -1.07 0.00 0.00 179.97 179.55 2ie8 h ALA 303 N 1.13 1.33 0.00 0.04 0.00 -0.30 -2.49 119.26 118.97 2ie8 h ALA 303 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ie8 h ALA 303 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ie8 h ALA 303 CO 0.05 0.29 -0.28 1.28 0.00 0.00 0.00 179.25 180.59 2ie8 n LEU 304 N -3.84 0.51 -4.69 0.00 4.77 -0.85 -4.85 117.00 108.04 2ie8 n LEU 304 Ca -0.02 0.33 -0.44 0.00 -0.03 0.00 0.00 56.01 55.86 2ie8 n LEU 304 Cb 0.33 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2ie8 n LEU 304 CO 0.34 -0.03 1.10 -0.62 -1.33 0.00 0.00 177.39 176.85 2ie8 n GLU 305 N -1.86 2.23 -0.06 3.23 1.02 -0.94 -2.01 120.64 122.25 2ie8 n GLU 305 Ca 0.05 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 2ie8 n GLU 305 Cb 0.39 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 2ie8 n GLU 305 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ie8 n GLY 306 N 2.36 2.53 3.77 0.62 0.00 -1.26 -5.02 105.19 108.18 2ie8 n GLY 306 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2ie8 n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ie8 s ALA 307 N -2.95 3.31 -0.86 4.61 0.00 -0.85 -4.30 121.76 120.72 2ie8 s ALA 307 Ca 0.00 1.25 0.11 0.00 0.00 0.00 0.00 51.96 53.32 2ie8 s ALA 307 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2ie8 s ALA 307 CO 0.00 -0.79 0.61 0.54 0.00 0.00 0.00 175.76 176.11 2ie8 n ARG 308 N 0.26 2.50 -3.73 0.00 1.74 0.39 -4.61 116.66 113.20 2ie8 n ARG 308 Ca 0.03 -0.42 -0.12 0.00 -0.77 0.00 0.00 57.85 56.57 2ie8 n ARG 308 Cb 0.43 -1.09 -0.13 0.00 -1.02 0.00 0.00 32.46 30.65 2ie8 n ARG 308 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2ie8 s THR 309 N -1.68 -0.04 -0.03 0.55 2.01 -0.64 -1.17 115.64 114.63 2ie8 s THR 309 Ca 0.08 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 2ie8 s THR 309 Cb 0.09 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.26 2ie8 s THR 309 CO 0.35 0.06 0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 2ie8 s VAL 310 N 1.23 -0.06 -0.14 3.82 1.01 -0.48 -0.18 120.40 125.60 2ie8 s VAL 310 Ca -0.09 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2ie8 s VAL 310 Cb -0.10 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2ie8 s VAL 310 CO -0.08 0.09 -0.19 0.12 0.00 0.00 0.00 175.10 175.04 2ie8 s PHE 311 N 1.14 2.43 -0.12 5.22 5.36 -0.56 -0.32 117.98 131.13 2ie8 s PHE 311 Ca -0.09 -1.28 0.01 0.00 -0.96 0.00 0.00 56.93 54.62 2ie8 s PHE 311 Cb -0.13 -1.70 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 2ie8 s PHE 311 CO -0.04 -0.63 -0.13 -0.46 -1.46 0.00 0.00 175.22 172.50 2ie8 s TRP 312 N 1.07 1.90 -0.09 10.12 -0.00 0.61 -0.40 118.94 132.14 2ie8 s TRP 312 Ca -0.03 -0.94 -0.03 0.00 -0.00 0.00 0.00 56.10 55.10 2ie8 s TRP 312 Cb -0.14 -1.41 0.05 0.00 -0.00 0.00 0.00 33.47 31.97 2ie8 s TRP 312 CO -0.05 -0.52 0.14 1.21 -0.00 0.00 0.00 176.95 177.72 2ie8 s ASN 313 N 1.23 0.98 0.00 5.86 3.84 -0.74 -0.42 114.94 125.69 2ie8 s ASN 313 Ca -0.02 0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.23 2ie8 s ASN 313 Cb -0.14 0.17 0.00 0.00 -0.55 0.00 0.00 41.25 40.73 2ie8 s ASN 313 CO -0.05 -0.26 0.00 0.61 -2.79 0.00 0.00 177.10 174.61 2ie8 n GLY 314 N 5.32 3.35 3.83 1.21 0.00 -1.24 -1.69 105.19 115.98 2ie8 n GLY 314 Ca -0.04 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 2ie8 n GLY 314 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ie8 s PRO 315 N -4.27 4.07 0.00 1.61 0.02 -1.26 -4.24 135.00 130.93 2ie8 s PRO 315 Ca 0.00 0.97 0.27 0.00 0.02 0.00 0.00 61.00 62.26 2ie8 s PRO 315 Cb 0.00 -2.21 0.87 0.00 0.02 0.00 0.00 34.50 33.18 2ie8 s PRO 315 CO 0.00 -0.10 1.67 -1.33 -0.33 0.00 0.00 177.00 176.91 2ie8 n MET 316 N -0.99 0.00 -0.93 5.54 2.81 -1.26 -3.03 117.12 119.26 2ie8 n MET 316 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2ie8 n MET 316 Cb 0.54 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 2ie8 n MET 316 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ie8 n GLY 317 N 1.50 1.80 3.35 3.03 0.00 -1.26 -1.32 105.19 112.28 2ie8 n GLY 317 Ca 0.06 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 2ie8 n GLY 317 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ie8 n VAL 318 N 0.00 2.91 -0.25 1.61 0.31 -0.57 -4.82 118.33 117.52 2ie8 n VAL 318 Ca 0.00 -2.87 -0.01 0.00 -0.01 0.00 0.00 64.34 61.45 2ie8 n VAL 318 Cb 0.00 -2.34 0.06 0.00 -0.91 0.00 0.00 33.84 30.65 2ie8 n VAL 318 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2ie8 h PHE 319 N 7.97 -0.59 0.00 3.52 3.57 -1.89 -1.70 116.94 127.82 2ie8 h PHE 319 Ca 0.40 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2ie8 h PHE 319 Cb 0.82 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2ie8 h PHE 319 CO 1.34 -0.34 0.00 0.39 -2.23 0.00 0.00 178.31 177.47 2ie8 n GLU 320 N -5.47 0.16 -3.70 1.11 4.71 -1.26 -4.21 120.64 111.98 2ie8 n GLU 320 Ca 0.08 0.17 -0.37 0.00 -0.01 0.00 0.00 57.16 57.03 2ie8 n GLU 320 Cb 0.37 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.21 2ie8 n GLU 320 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2ie8 s VAL 321 N -2.50 3.76 0.00 2.62 1.01 -0.64 -5.03 120.40 119.62 2ie8 s VAL 321 Ca 0.10 -2.69 0.00 0.00 0.00 0.00 0.00 61.98 59.38 2ie8 s VAL 321 Cb 0.06 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2ie8 s VAL 321 CO 0.14 -0.84 0.00 -2.65 0.00 0.00 0.00 175.10 171.75 2ie8 n PRO 322 N 3.81 0.00 0.01 2.72 -0.02 -1.26 -0.62 135.00 139.64 2ie8 n PRO 322 Ca 0.05 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.44 2ie8 n PRO 322 Cb 0.39 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 33.93 2ie8 n PRO 322 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2ie8 h PRO 323 N 0.00 0.52 -0.88 0.52 0.13 -1.92 -3.29 132.00 127.09 2ie8 h PRO 323 Ca 0.00 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2ie8 h PRO 323 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2ie8 h PRO 323 CO 0.00 0.94 0.00 1.19 -0.23 0.00 0.00 178.00 179.90 2ie8 n PHE 324 N -3.95 0.00 0.68 1.56 3.72 0.21 -3.06 117.46 116.61 2ie8 n PHE 324 Ca -0.03 -0.04 0.07 0.00 -0.05 0.00 0.00 57.45 57.41 2ie8 n PHE 324 Cb 0.61 -0.10 -0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2ie8 n PHE 324 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2ie8 n ASP 325 N 0.12 1.56 -0.19 4.37 5.75 -1.24 -3.32 116.55 123.60 2ie8 n ASP 325 Ca 0.00 -1.28 -0.06 0.00 -0.01 0.00 0.00 54.79 53.44 2ie8 n ASP 325 Cb 0.23 0.47 0.10 0.00 -1.03 0.00 0.00 41.12 40.89 2ie8 n ASP 325 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2ie8 h GLU 326 N 1.69 1.00 -0.52 0.11 5.08 -1.79 -1.94 114.58 118.20 2ie8 h GLU 326 Ca 0.00 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 2ie8 h GLU 326 Cb 0.52 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2ie8 h GLU 326 CO 0.00 0.91 0.01 0.78 -1.00 0.00 0.00 179.01 179.72 2ie8 h GLY 327 N 1.03 0.98 1.10 -3.84 0.00 -1.81 -0.87 103.07 99.66 2ie8 h GLY 327 Ca 0.19 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 2ie8 h GLY 327 CO 0.01 0.66 0.20 -0.84 0.00 0.00 0.00 176.54 176.56 2ie8 h THR 328 N 0.78 1.26 -0.29 4.70 2.02 -1.83 -1.78 112.91 117.77 2ie8 h THR 328 Ca 0.15 -0.94 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 2ie8 h THR 328 Cb 0.51 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2ie8 h THR 328 CO 0.02 0.36 -0.17 -0.07 0.37 0.00 0.00 175.52 176.03 2ie8 h LEU 329 N 1.07 0.51 -0.42 2.58 3.38 -1.08 -2.22 115.31 119.14 2ie8 h LEU 329 Ca 0.23 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2ie8 h LEU 329 Cb 0.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2ie8 h LEU 329 CO -0.00 0.71 -0.27 0.00 0.09 0.00 0.00 178.44 178.96 2ie8 h ALA 330 N 1.34 0.60 -0.18 1.53 0.00 -0.79 -2.63 119.26 119.13 2ie8 h ALA 330 Ca 0.08 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2ie8 h ALA 330 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ie8 h ALA 330 CO 0.04 0.62 -0.28 0.28 0.00 0.00 0.00 179.25 179.91 2ie8 h VAL 331 N 0.76 1.26 -0.62 0.00 2.07 -1.16 -1.80 116.25 116.76 2ie8 h VAL 331 Ca 0.08 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 2ie8 h VAL 331 Cb 0.86 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2ie8 h VAL 331 CO 0.08 0.39 0.05 1.23 0.02 0.00 0.00 177.57 179.34 2ie8 h GLY 332 N 1.04 1.15 1.85 2.17 0.00 -1.27 -1.71 103.07 106.31 2ie8 h GLY 332 Ca 0.04 -0.81 -0.14 0.00 0.00 0.00 0.00 47.33 46.42 2ie8 h GLY 332 CO 0.05 0.75 -0.62 0.06 0.00 0.00 0.00 176.54 176.77 2ie8 h GLN 333 N 0.97 0.15 -0.37 4.80 3.07 -1.24 -1.23 115.11 121.26 2ie8 h GLN 333 Ca 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 58.65 58.77 2ie8 h GLN 333 Cb 0.50 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.06 2ie8 h GLN 333 CO 0.02 0.72 0.08 0.00 0.09 0.00 0.00 178.83 179.74 2ie8 h ALA 334 N 1.25 0.49 -0.16 0.06 0.00 -1.05 -1.30 119.26 118.56 2ie8 h ALA 334 Ca -0.01 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 2ie8 h ALA 334 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ie8 h ALA 334 CO 0.09 0.18 -0.68 0.82 0.00 0.00 0.00 179.25 179.66 2ie8 h ILE 335 N 0.46 1.32 -0.22 0.00 2.04 -1.28 -3.16 117.51 116.67 2ie8 h ILE 335 Ca 0.12 -1.95 -0.05 0.00 1.00 0.00 0.00 64.86 63.98 2ie8 h ILE 335 Cb 0.33 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2ie8 h ILE 335 CO 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 178.15 178.70 2ie8 h ALA 336 N 0.78 1.48 0.00 1.87 0.00 -1.10 -2.58 119.26 119.71 2ie8 h ALA 336 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ie8 h ALA 336 Cb 1.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ie8 h ALA 336 CO 0.13 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.75 2ie8 h ALA 337 N 1.61 1.00 -2.78 0.00 0.00 -1.20 -3.46 119.26 114.43 2ie8 h ALA 337 Ca 0.07 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.42 2ie8 h ALA 337 Cb 0.33 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.26 2ie8 h ALA 337 CO 0.01 0.00 0.41 1.28 0.00 0.00 0.00 179.25 180.95 2ie8 n LEU 338 N -3.03 4.18 -4.48 0.00 4.32 -0.97 -5.02 117.00 111.99 2ie8 n LEU 338 Ca 0.02 1.00 -0.27 0.00 -0.02 0.00 0.00 56.01 56.74 2ie8 n LEU 338 Cb 0.37 -1.48 -0.11 0.00 -1.62 0.00 0.00 43.42 40.58 2ie8 n LEU 338 CO 0.29 -0.98 -0.49 -1.61 -1.22 0.00 0.00 177.39 173.39 2ie8 s GLU 339 N -2.47 1.74 -1.75 3.23 0.41 -1.26 -4.72 118.70 113.89 2ie8 s GLU 339 Ca 0.67 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.86 2ie8 s GLU 339 Cb -0.47 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 2ie8 s GLU 339 CO 0.53 0.43 0.00 0.41 -0.49 0.00 0.00 175.26 176.14 2ie8 n GLY 340 N 0.33 -0.02 3.25 -1.39 0.00 -1.26 -4.95 105.19 101.15 2ie8 n GLY 340 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 2ie8 n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ie8 s ALA 341 N -2.90 1.56 -0.47 4.61 0.00 -1.26 -4.76 121.76 118.54 2ie8 s ALA 341 Ca 0.00 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 2ie8 s ALA 341 Cb 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.08 2ie8 s ALA 341 CO 0.00 0.13 0.46 0.12 0.00 0.00 0.00 175.76 176.47 2ie8 s PHE 342 N -2.06 3.18 -0.11 0.00 5.36 -0.32 -4.84 117.98 119.19 2ie8 s PHE 342 Ca 0.09 -0.69 -0.03 0.00 -0.96 0.00 0.00 56.93 55.34 2ie8 s PHE 342 Cb -0.05 -3.18 -0.03 0.00 -0.34 0.00 0.00 43.02 39.42 2ie8 s PHE 342 CO 0.03 -0.83 0.03 0.95 -1.46 0.00 0.00 175.22 173.94 2ie8 s THR 343 N 2.01 4.51 -0.06 0.12 -4.23 -1.26 -1.38 115.64 115.35 2ie8 s THR 343 Ca 0.09 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2ie8 s THR 343 Cb -0.21 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.71 2ie8 s THR 343 CO 0.10 0.58 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.97 2ie8 s VAL 344 N -0.67 0.99 -0.05 2.29 1.01 0.57 -1.06 120.40 123.48 2ie8 s VAL 344 Ca 0.11 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2ie8 s VAL 344 Cb -0.12 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 2ie8 s VAL 344 CO 0.02 0.33 -0.19 0.54 0.00 0.00 0.00 175.10 175.80 2ie8 s VAL 345 N 0.81 1.61 0.24 2.92 0.11 -0.65 -0.28 120.40 125.15 2ie8 s VAL 345 Ca -0.12 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.10 2ie8 s VAL 345 Cb -0.15 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.29 2ie8 s VAL 345 CO 0.02 0.46 0.23 -0.83 -3.33 0.00 0.00 175.10 171.65 2ie8 s GLY 346 N 0.02 1.48 0.00 6.54 0.00 0.44 0.04 107.32 115.84 2ie8 s GLY 346 Ca -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.03 2ie8 s GLY 346 CO 0.03 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.46 2ie8 n GLY 347 N -0.37 -0.56 0.38 0.20 0.00 -1.26 -3.62 105.19 99.96 2ie8 n GLY 347 Ca 0.02 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 2ie8 n GLY 347 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ie8 h GLY 348 N 0.00 -0.41 1.69 -0.02 0.00 -1.98 -1.73 103.07 100.63 2ie8 h GLY 348 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 47.33 47.72 2ie8 h GLY 348 CO 0.00 -0.18 -0.48 -0.55 0.00 0.00 0.00 176.54 175.33 2ie8 h ASP 349 N -0.26 0.36 -0.27 0.19 3.32 -1.96 -1.01 116.42 116.79 2ie8 h ASP 349 Ca 0.17 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.88 2ie8 h ASP 349 Cb 0.57 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2ie8 h ASP 349 CO -0.63 0.78 -0.51 0.28 -1.72 0.00 0.00 179.24 177.45 2ie8 h SER 350 N 0.27 0.94 -0.50 6.45 0.02 -1.76 -1.01 113.55 117.95 2ie8 h SER 350 Ca 0.01 -0.48 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 2ie8 h SER 350 Cb 0.94 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2ie8 h SER 350 CO 0.08 1.27 -0.16 0.58 -1.14 0.00 0.00 176.83 177.47 2ie8 h VAL 351 N 0.66 1.27 -0.63 2.27 2.07 -1.24 -2.35 116.25 118.29 2ie8 h VAL 351 Ca 0.02 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.24 2ie8 h VAL 351 Cb 1.11 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2ie8 h VAL 351 CO 0.11 0.46 0.41 0.00 0.02 0.00 0.00 177.57 178.57 2ie8 h ALA 352 N 0.93 0.80 -0.29 1.67 0.00 -1.00 -0.59 119.26 120.79 2ie8 h ALA 352 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ie8 h ALA 352 Cb 0.72 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2ie8 h ALA 352 CO 0.06 0.20 0.19 0.00 0.00 0.00 0.00 179.25 179.70 2ie8 h ALA 353 N 1.24 0.37 -0.45 0.00 0.00 -1.00 -0.88 119.26 118.54 2ie8 h ALA 353 Ca 0.24 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2ie8 h ALA 353 Cb -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2ie8 h ALA 353 CO -0.06 -0.17 0.22 0.28 0.00 0.00 0.00 179.25 179.52 2ie8 h VAL 354 N 0.38 0.96 -0.33 0.00 2.07 -0.90 -1.77 116.25 116.67 2ie8 h VAL 354 Ca 0.11 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2ie8 h VAL 354 Cb -0.04 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2ie8 h VAL 354 CO -0.03 0.08 0.17 0.78 0.02 0.00 0.00 177.57 178.59 2ie8 h ASN 355 N 0.45 0.42 -0.15 0.57 2.35 -0.77 -1.14 115.58 117.31 2ie8 h ASN 355 Ca 0.20 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2ie8 h ASN 355 Cb 0.11 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2ie8 h ASN 355 CO -0.14 0.41 0.05 0.03 -1.65 0.00 0.00 177.43 176.13 2ie8 h ARG 356 N 0.40 0.30 -0.01 0.81 3.08 -0.86 0.56 114.38 118.66 2ie8 h ARG 356 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2ie8 h ARG 356 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ie8 h ARG 356 CO -0.02 0.28 0.00 1.28 -1.07 0.00 0.00 179.97 180.45 2ie8 n LEU 357 N -4.41 0.29 -3.26 3.04 4.77 -0.69 -4.89 117.00 111.84 2ie8 n LEU 357 Ca 0.00 -0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.65 2ie8 n LEU 357 Cb 0.15 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 2ie8 n LEU 357 CO 0.36 0.05 0.08 0.61 -1.33 0.00 0.00 177.39 177.16 2ie8 n GLY 358 N 1.01 -0.53 0.72 -0.72 0.00 0.19 -4.91 105.19 100.94 2ie8 n GLY 358 Ca 0.22 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.47 2ie8 n GLY 358 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ie8 n LEU 359 N -4.35 3.10 -0.13 0.99 4.77 -0.48 -4.76 117.00 116.15 2ie8 n LEU 359 Ca -0.06 -2.09 -0.07 0.00 -0.03 0.00 0.00 56.01 53.76 2ie8 n LEU 359 Cb 0.59 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2ie8 n LEU 359 CO 0.54 0.74 0.66 0.11 -1.33 0.00 0.00 177.39 178.11 2ie8 h LYS 360 N 2.17 -0.21 -0.31 3.23 1.57 -1.90 -1.03 116.57 120.08 2ie8 h LYS 360 Ca 0.00 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2ie8 h LYS 360 Cb 0.82 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2ie8 h LYS 360 CO 0.02 -0.14 0.26 1.49 -0.57 0.00 0.00 179.45 180.51 2ie8 h GLU 361 N -0.22 0.00 0.00 3.15 4.81 -1.96 -1.96 114.58 118.40 2ie8 h GLU 361 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2ie8 h GLU 361 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2ie8 h GLU 361 CO -0.54 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.28 2ie8 n ARG 362 N -4.17 0.02 -3.86 1.92 5.12 -0.39 -4.80 116.66 110.51 2ie8 n ARG 362 Ca 0.05 0.19 -0.35 0.00 -1.93 0.00 0.00 57.85 55.81 2ie8 n ARG 362 Cb 0.42 -1.54 -0.05 0.00 -1.16 0.00 0.00 32.46 30.13 2ie8 n ARG 362 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2ie8 s PHE 363 N -3.03 3.58 0.15 -1.55 0.40 -0.74 -4.87 117.98 111.93 2ie8 s PHE 363 Ca 0.09 0.47 -0.15 0.00 -0.60 0.00 0.00 56.93 56.74 2ie8 s PHE 363 Cb 0.12 -1.91 0.03 0.00 0.51 0.00 0.00 43.02 41.77 2ie8 s PHE 363 CO 0.36 0.67 1.77 0.78 0.70 0.00 0.00 175.22 179.51 2ie8 h GLY 364 N 4.26 0.68 -5.97 4.36 0.00 -1.40 -3.43 103.07 101.56 2ie8 h GLY 364 Ca -0.51 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 46.36 2ie8 h GLY 364 CO 0.65 0.29 -0.42 -1.58 0.00 0.00 0.00 176.54 175.47 2ie8 s HIS 365 N -5.91 -0.48 -0.44 5.60 5.65 -0.41 -4.98 115.29 114.32 2ie8 s HIS 365 Ca -0.13 1.06 -0.15 0.00 0.25 0.00 0.00 55.06 56.09 2ie8 s HIS 365 Cb 0.11 0.13 0.05 0.00 -1.18 0.00 0.00 32.58 31.69 2ie8 s HIS 365 CO 0.75 -0.32 0.34 0.08 -0.65 0.00 0.00 174.74 174.94 2ie8 s VAL 366 N 1.64 5.15 0.30 0.89 1.01 -1.26 -1.64 120.40 126.48 2ie8 s VAL 366 Ca -0.07 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 2ie8 s VAL 366 Cb -0.10 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 2ie8 s VAL 366 CO -0.10 -0.44 1.41 -0.55 0.00 0.00 0.00 175.10 175.41 2ie8 s SER 367 N 2.13 6.64 0.00 3.32 0.15 0.11 -4.93 113.70 121.12 2ie8 s SER 367 Ca 0.04 2.74 0.09 0.00 0.70 0.00 0.00 55.95 59.52 2ie8 s SER 367 Cb -0.22 -2.64 0.17 0.00 -1.71 0.00 0.00 66.02 61.62 2ie8 s SER 367 CO 0.08 -0.67 1.02 1.07 1.20 0.00 0.00 173.24 175.93 2ie8 n THR 368 N 1.54 0.55 0.10 6.45 5.66 -1.26 -4.58 114.28 122.74 2ie8 n THR 368 Ca 0.04 -0.77 0.11 0.00 -3.05 0.00 0.00 64.05 60.37 2ie8 n THR 368 Cb 0.41 0.81 -0.07 0.00 -1.55 0.00 0.00 70.33 69.92 2ie8 n THR 368 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ie8 n GLY 369 N 0.40 -1.24 7.00 1.09 0.00 -1.26 -3.93 105.19 107.26 2ie8 n GLY 369 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2ie8 n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ie8 n GLY 370 N 1.23 3.56 0.26 -0.02 0.00 -1.26 -0.35 105.19 108.62 2ie8 n GLY 370 Ca -0.02 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2ie8 n GLY 370 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ie8 h GLY 371 N 0.00 0.00 0.99 -0.02 0.00 -1.96 -1.59 103.07 100.50 2ie8 h GLY 371 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ie8 h GLY 371 CO 0.00 0.00 0.33 0.00 0.00 0.00 0.00 176.54 176.87 2ie8 h ALA 372 N 1.92 0.71 -0.86 3.60 0.00 -0.97 -1.68 119.26 121.98 2ie8 h ALA 372 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ie8 h ALA 372 Cb 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2ie8 h ALA 372 CO 0.01 0.20 0.57 0.77 0.00 0.00 0.00 179.25 180.80 2ie8 h SER 373 N 0.75 0.99 -0.71 0.00 0.02 -1.29 -0.85 113.55 112.47 2ie8 h SER 373 Ca 0.20 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2ie8 h SER 373 Cb -0.01 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2ie8 h SER 373 CO -0.04 0.71 0.24 -0.07 -1.14 0.00 0.00 176.83 176.53 2ie8 h LEU 374 N 1.16 1.01 -0.73 5.07 3.38 -1.26 -1.94 115.31 122.01 2ie8 h LEU 374 Ca 0.32 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 2ie8 h LEU 374 Cb -0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 2ie8 h LEU 374 CO -0.07 0.94 -0.45 -0.33 0.09 0.00 0.00 178.44 178.61 2ie8 h GLU 375 N 1.03 0.42 -0.32 1.13 5.08 -0.73 -1.02 114.58 120.16 2ie8 h GLU 375 Ca 0.23 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ie8 h GLU 375 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ie8 h GLU 375 CO -0.01 0.79 0.12 0.35 -1.00 0.00 0.00 179.01 179.26 2ie8 h PHE 376 N 0.34 0.50 -0.07 4.33 3.04 -0.90 0.29 116.94 124.47 2ie8 h PHE 376 Ca 0.02 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 2ie8 h PHE 376 Cb 0.93 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 2ie8 h PHE 376 CO 0.03 0.49 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.53 2ie8 h LEU 377 N 0.37 0.11 -0.02 0.59 3.38 -1.23 0.79 115.31 119.31 2ie8 h LEU 377 Ca 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2ie8 h LEU 377 Cb 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2ie8 h LEU 377 CO -0.01 0.33 -0.16 -0.08 0.09 0.00 0.00 178.44 178.62 2ie8 h GLU 378 N 0.11 0.15 0.00 1.13 4.81 -0.56 -3.39 114.58 116.82 2ie8 h GLU 378 Ca 0.02 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2ie8 h GLU 378 Cb 0.43 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2ie8 h GLU 378 CO 0.03 0.81 -1.50 1.63 -0.73 0.00 0.00 179.01 179.25 2ie8 n LYS 379 N -4.60 0.77 -0.37 1.92 5.02 0.95 -4.87 118.16 116.98 2ie8 n LYS 379 Ca -0.09 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 2ie8 n LYS 379 Cb 0.43 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2ie8 n LYS 379 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ie8 n GLY 380 N 1.46 0.87 3.87 0.72 0.00 0.27 -4.99 105.19 107.39 2ie8 n GLY 380 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2ie8 n GLY 380 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ie8 s THR 381 N -2.83 0.00 -0.01 2.61 -4.23 -1.24 -5.01 115.64 104.93 2ie8 s THR 381 Ca 0.00 -0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 59.81 2ie8 s THR 381 Cb 0.00 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2ie8 s THR 381 CO 0.00 0.00 0.14 -0.76 -0.54 0.00 0.00 174.62 173.46 2ie8 s LEU 382 N -3.35 1.54 0.55 4.79 1.43 -1.26 -4.41 118.68 117.97 2ie8 s LEU 382 Ca 0.21 -0.14 0.24 0.00 -1.03 0.00 0.00 54.13 53.41 2ie8 s LEU 382 Cb -0.03 0.65 1.49 0.00 0.03 0.00 0.00 46.19 48.34 2ie8 s LEU 382 CO 0.06 -0.33 2.12 1.55 0.23 0.00 0.00 176.35 179.98 2ie8 h PRO 383 N 4.50 0.00 0.00 1.29 0.13 -1.84 -0.10 132.00 135.97 2ie8 h PRO 383 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2ie8 h PRO 383 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ie8 h PRO 383 CO 0.41 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 2ie8 n GLY 384 N -1.49 -1.24 0.10 1.56 0.00 -0.28 -3.24 105.19 100.61 2ie8 n GLY 384 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 2ie8 n GLY 384 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ie8 n LEU 385 N -1.54 0.12 0.28 0.99 4.77 -0.07 -4.39 117.00 117.16 2ie8 n LEU 385 Ca 0.05 0.05 0.16 0.00 -0.03 0.00 0.00 56.01 56.24 2ie8 n LEU 385 Cb 0.25 0.45 0.77 0.00 -2.33 0.00 0.00 43.42 42.56 2ie8 n LEU 385 CO 0.20 0.49 1.00 -0.33 -1.33 0.00 0.00 177.39 177.41 2ie8 h GLU 386 N 0.00 0.00 -0.18 3.23 5.08 -1.48 -2.64 114.58 118.59 2ie8 h GLU 386 Ca -0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2ie8 h GLU 386 Cb 2.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.47 2ie8 h GLU 386 CO 0.04 0.07 0.00 1.33 -1.00 0.00 0.00 179.01 179.45 2ie8 n VAL 387 N -3.31 0.22 -2.86 3.13 0.24 -1.25 -4.65 118.33 109.85 2ie8 n VAL 387 Ca -0.01 -0.45 -0.43 0.00 -2.04 0.00 0.00 64.34 61.41 2ie8 n VAL 387 Cb 0.26 0.68 0.01 0.00 -1.47 0.00 0.00 33.84 33.31 2ie8 n VAL 387 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2ie8 n LEU 388 N 0.72 6.16 0.00 1.34 4.32 -1.00 -4.68 117.00 123.86 2ie8 n LEU 388 Ca 0.17 -4.91 0.00 0.00 -0.02 0.00 0.00 56.01 51.26 2ie8 n LEU 388 Cb 0.44 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 40.82 2ie8 n LEU 388 CO 0.14 1.40 0.00 -0.62 -1.22 0.00 0.00 177.39 177.09 2ie8 n GLU 389 N 2.95 0.00 0.00 3.23 -0.58 -1.23 -1.22 120.64 123.78 2ie8 n GLU 389 Ca 0.31 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.07 2ie8 n GLU 389 Cb 0.36 0.00 0.13 0.00 -0.57 0.00 0.00 31.44 31.36 2ie8 n GLU 389 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06