#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie7 n TYR 6 N 0.00 2.07 -3.57 3.10 4.19 -1.26 -4.95 117.16 116.75 1ie7 n TYR 6 Ca 0.00 0.43 -0.39 0.00 3.31 0.00 0.00 57.90 61.25 1ie7 n TYR 6 Cb 0.00 -2.45 -0.11 0.00 0.49 0.00 0.00 39.34 37.27 1ie7 n TYR 6 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1ie7 s ILE 7 N 0.16 5.22 -0.36 2.97 1.01 -1.26 -5.04 121.20 123.91 1ie7 s ILE 7 Ca 0.72 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 1ie7 s ILE 7 Cb -0.69 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1ie7 s ILE 7 CO 0.47 0.10 0.28 -0.69 0.00 0.00 0.00 174.94 175.10 1ie7 s VAL 8 N 1.73 5.25 0.19 2.92 1.01 -1.26 -5.06 120.40 125.18 1ie7 s VAL 8 Ca 0.06 -0.28 -0.33 0.00 0.00 0.00 0.00 61.98 61.44 1ie7 s VAL 8 Cb -0.17 -3.80 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 1ie7 s VAL 8 CO 0.10 -0.11 1.50 -2.65 0.00 0.00 0.00 175.10 173.95 1ie7 n PRO 9 N 5.19 2.07 -1.10 2.72 -0.02 -1.26 -1.89 135.00 140.71 1ie7 n PRO 9 Ca -0.11 0.74 -0.03 0.00 -2.02 0.00 0.00 63.50 62.08 1ie7 n PRO 9 Cb 0.49 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1ie7 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ie7 n GLY 10 N 2.88 0.46 3.71 -1.23 0.00 -1.26 -4.98 105.19 104.77 1ie7 n GLY 10 Ca 0.15 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1ie7 n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ie7 s GLU 11 N -1.82 1.57 0.28 1.61 -1.05 -0.79 -5.03 118.70 113.46 1ie7 s GLU 11 Ca 0.00 1.51 -0.03 0.00 -0.15 0.00 0.00 54.97 56.30 1ie7 s GLU 11 Cb 0.00 -1.79 -0.05 0.00 -0.44 0.00 0.00 34.13 31.85 1ie7 s GLU 11 CO 0.00 -2.22 0.52 0.71 0.95 0.00 0.00 175.26 175.23 1ie7 s TYR 12 N -2.56 3.48 -0.49 4.83 2.02 -1.26 -5.05 117.35 118.33 1ie7 s TYR 12 Ca 0.67 0.53 0.03 0.00 -0.37 0.00 0.00 57.07 57.93 1ie7 s TYR 12 Cb -0.23 -2.02 0.16 0.00 -0.40 0.00 0.00 41.96 39.47 1ie7 s TYR 12 CO 0.54 0.20 0.34 0.50 -1.57 0.00 0.00 175.55 175.56 1ie7 s ARG 13 N -3.67 1.42 0.54 -0.62 3.52 -1.26 -5.11 118.95 113.77 1ie7 s ARG 13 Ca 0.42 -2.34 -0.19 0.00 -0.13 0.00 0.00 55.73 53.50 1ie7 s ARG 13 Cb -0.11 -2.25 -0.06 0.00 -1.56 0.00 0.00 34.95 30.98 1ie7 s ARG 13 CO 0.31 -1.27 1.08 0.14 -0.81 0.00 0.00 175.30 174.75 1ie7 s VAL 14 N -0.16 3.50 1.13 7.11 -7.23 -1.26 -5.03 120.40 118.46 1ie7 s VAL 14 Ca 0.24 0.87 -0.17 0.00 -1.81 0.00 0.00 61.98 61.12 1ie7 s VAL 14 Cb -0.10 -3.34 0.25 0.00 0.56 0.00 0.00 36.38 33.75 1ie7 s VAL 14 CO -0.11 -0.26 1.12 0.00 -0.31 0.00 0.00 175.10 175.54 1ie7 s ALA 15 N -2.01 0.83 0.42 1.32 0.00 -1.26 -5.03 121.76 116.04 1ie7 s ALA 15 Ca 0.69 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 1ie7 s ALA 15 Cb -0.19 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 1ie7 s ALA 15 CO 0.27 -3.28 0.81 -1.21 0.00 0.00 0.00 175.76 172.35 1ie7 s GLU 16 N -5.32 3.81 0.00 0.00 0.41 -1.26 -4.96 118.70 111.38 1ie7 s GLU 16 Ca 0.69 0.56 0.00 0.00 -0.41 0.00 0.00 54.97 55.81 1ie7 s GLU 16 Cb -0.12 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 1ie7 s GLU 16 CO 0.56 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.66 1ie7 n GLY 17 N -1.35 0.05 3.27 -1.39 0.00 -1.26 -5.07 105.19 99.44 1ie7 n GLY 17 Ca 0.03 -2.29 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 1ie7 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ie7 s GLU 18 N -0.59 1.10 -0.25 1.61 2.02 -1.26 -5.13 118.70 116.20 1ie7 s GLU 18 Ca 0.00 -1.40 -0.09 0.00 0.02 0.00 0.00 54.97 53.51 1ie7 s GLU 18 Cb 0.00 -0.83 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1ie7 s GLU 18 CO 0.00 0.13 0.11 0.42 0.02 0.00 0.00 175.26 175.95 1ie7 s ILE 19 N -2.80 4.80 -0.19 -1.63 -1.09 -1.26 -5.07 121.20 113.96 1ie7 s ILE 19 Ca 0.15 -0.01 -0.21 0.00 -2.23 0.00 0.00 60.65 58.34 1ie7 s ILE 19 Cb -0.01 -3.25 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 1ie7 s ILE 19 CO 0.03 0.33 0.66 -0.70 -1.23 0.00 0.00 174.94 174.03 1ie7 s GLU 20 N 1.37 4.23 0.29 2.79 2.12 -1.26 -5.05 118.70 123.18 1ie7 s GLU 20 Ca 0.06 0.68 -0.06 0.00 0.36 0.00 0.00 54.97 56.01 1ie7 s GLU 20 Cb -0.15 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 1ie7 s GLU 20 CO 0.05 -0.25 0.56 0.96 -0.54 0.00 0.00 175.26 176.05 1ie7 s ILE 21 N 1.93 5.00 -1.57 -3.70 -4.36 -1.26 -4.35 121.20 112.90 1ie7 s ILE 21 Ca 0.30 0.13 -0.14 0.00 -0.26 0.00 0.00 60.65 60.68 1ie7 s ILE 21 Cb -0.16 -3.72 0.10 0.00 1.25 0.00 0.00 42.46 39.93 1ie7 s ILE 21 CO 0.11 -0.30 0.90 0.59 0.24 0.00 0.00 174.94 176.47 1ie7 n ASN 22 N -0.85 -4.05 -4.77 4.36 5.03 -1.26 -4.88 115.26 108.84 1ie7 n ASN 22 Ca -0.01 -0.86 -0.40 0.00 0.87 0.00 0.00 54.58 54.18 1ie7 n ASN 22 Cb 0.54 -3.53 -0.02 0.00 -1.02 0.00 0.00 39.78 35.74 1ie7 n ASN 22 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ie7 s ALA 23 N -3.34 3.46 0.00 5.41 0.00 -1.26 -2.73 121.76 123.29 1ie7 s ALA 23 Ca 0.63 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1ie7 s ALA 23 Cb -0.33 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1ie7 s ALA 23 CO 0.86 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1ie7 n GLY 24 N 0.81 0.87 3.90 0.00 0.00 -1.26 -5.03 105.19 104.50 1ie7 n GLY 24 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ie7 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ie7 s ARG 25 N -0.06 3.44 0.35 1.61 0.52 -1.11 -5.06 118.95 118.64 1ie7 s ARG 25 Ca 0.00 -0.33 -0.28 0.00 -0.52 0.00 0.00 55.73 54.60 1ie7 s ARG 25 Cb 0.00 -3.09 -0.12 0.00 0.52 0.00 0.00 34.95 32.26 1ie7 s ARG 25 CO 0.00 0.67 1.45 -1.91 0.02 0.00 0.00 175.30 175.53 1ie7 n GLU 26 N 0.90 2.52 -4.20 3.54 2.13 -1.26 -4.83 120.64 119.44 1ie7 n GLU 26 Ca -0.10 0.89 -0.31 0.00 0.66 0.00 0.00 57.16 58.29 1ie7 n GLU 26 Cb 0.52 -2.59 -0.09 0.00 0.27 0.00 0.00 31.44 29.56 1ie7 n GLU 26 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ie7 s LYS 27 N -1.73 2.55 -0.02 5.31 1.02 -1.26 -3.45 119.74 122.17 1ie7 s LYS 27 Ca 0.56 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 1ie7 s LYS 27 Cb -0.51 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1ie7 s LYS 27 CO 0.60 0.56 0.03 0.99 -0.92 0.00 0.00 175.35 176.62 1ie7 s THR 28 N -1.23 -0.03 -0.17 2.17 2.01 -0.15 -4.95 115.64 113.28 1ie7 s THR 28 Ca 0.23 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.30 1ie7 s THR 28 Cb -0.12 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1ie7 s THR 28 CO 0.15 0.05 0.00 -0.89 -0.69 0.00 0.00 174.62 173.24 1ie7 s THR 29 N 0.62 4.20 0.07 -0.82 2.01 -1.26 0.11 115.64 120.57 1ie7 s THR 29 Ca -0.05 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1ie7 s THR 29 Cb -0.07 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1ie7 s THR 29 CO -0.02 0.47 -0.06 0.27 -0.69 0.00 0.00 174.62 174.59 1ie7 s ILE 30 N 0.50 0.51 -0.17 1.82 -4.36 -0.80 -4.98 121.20 113.72 1ie7 s ILE 30 Ca -0.01 -1.66 -0.09 0.00 -0.26 0.00 0.00 60.65 58.63 1ie7 s ILE 30 Cb -0.14 -1.33 -0.05 0.00 1.25 0.00 0.00 42.46 42.20 1ie7 s ILE 30 CO 0.02 -0.78 0.15 -0.13 0.24 0.00 0.00 174.94 174.43 1ie7 s ARG 31 N -3.24 3.92 -0.02 0.37 0.52 -1.26 -0.84 118.95 118.40 1ie7 s ARG 31 Ca 0.04 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 1ie7 s ARG 31 Cb 0.02 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.15 1ie7 s ARG 31 CO -0.05 0.47 -0.11 0.08 0.02 0.00 0.00 175.30 175.71 1ie7 s VAL 32 N -0.15 0.94 -0.05 3.52 1.01 -0.08 -4.56 120.40 121.03 1ie7 s VAL 32 Ca 0.11 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1ie7 s VAL 32 Cb -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1ie7 s VAL 32 CO 0.01 0.28 -0.15 -0.55 0.00 0.00 0.00 175.10 174.68 1ie7 s SER 33 N -0.06 1.97 -0.60 3.32 0.15 -0.16 -1.09 113.70 117.22 1ie7 s SER 33 Ca 0.01 -0.33 -0.23 0.00 0.70 0.00 0.00 55.95 56.10 1ie7 s SER 33 Cb -0.07 -0.67 0.05 0.00 -1.71 0.00 0.00 66.02 63.63 1ie7 s SER 33 CO 0.00 0.11 0.94 0.21 1.20 0.00 0.00 173.24 175.70 1ie7 s ASN 34 N 0.25 6.25 0.00 5.45 2.47 0.00 -0.28 114.94 129.09 1ie7 s ASN 34 Ca -0.08 -0.66 0.30 0.00 0.42 0.00 0.00 52.86 52.84 1ie7 s ASN 34 Cb -0.13 -2.42 1.40 0.00 -1.45 0.00 0.00 41.25 38.65 1ie7 s ASN 34 CO 0.03 -1.32 1.96 0.35 -3.72 0.00 0.00 177.10 174.40 1ie7 n THR 35 N 6.05 0.00 -2.17 -5.21 -2.24 -0.83 -1.16 114.28 108.72 1ie7 n THR 35 Ca -0.01 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.46 1ie7 n THR 35 Cb 0.47 -0.27 0.14 0.00 -2.10 0.00 0.00 70.33 68.57 1ie7 n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ie7 s GLY 36 N -2.45 1.75 -0.05 3.38 0.00 -1.26 -4.85 107.32 103.84 1ie7 s GLY 36 Ca 0.31 -1.29 0.12 0.00 0.00 0.00 0.00 44.72 43.86 1ie7 s GLY 36 CO 0.46 -0.65 1.28 2.09 0.00 0.00 0.00 173.10 176.28 1ie7 n ASP 37 N -3.33 3.12 -4.20 1.64 5.68 -1.26 -3.33 116.55 114.87 1ie7 n ASP 37 Ca 0.14 -2.28 -0.17 0.00 -0.50 0.00 0.00 54.79 51.97 1ie7 n ASP 37 Cb 0.60 -0.30 -0.11 0.00 -1.14 0.00 0.00 41.12 40.16 1ie7 n ASP 37 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1ie7 s ARG 38 N -1.51 0.91 0.43 0.11 0.52 -1.26 -4.82 118.95 113.32 1ie7 s ARG 38 Ca 0.27 -1.13 -0.24 0.00 -0.52 0.00 0.00 55.73 54.12 1ie7 s ARG 38 Cb 0.17 -0.77 -0.08 0.00 0.52 0.00 0.00 34.95 34.79 1ie7 s ARG 38 CO 0.13 0.15 1.13 -1.25 0.02 0.00 0.00 175.30 175.48 1ie7 s PRO 39 N -2.42 3.95 -0.10 3.54 0.04 -1.26 -4.34 135.00 134.41 1ie7 s PRO 39 Ca 0.04 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1ie7 s PRO 39 Cb -0.06 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1ie7 s PRO 39 CO 0.02 -0.37 -0.17 0.42 0.04 0.00 0.00 177.00 176.94 1ie7 s ILE 40 N -1.55 1.61 -0.13 0.56 1.01 -0.35 -5.00 121.20 117.35 1ie7 s ILE 40 Ca 0.60 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1ie7 s ILE 40 Cb -0.27 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1ie7 s ILE 40 CO 0.33 0.46 -0.19 -1.58 0.00 0.00 0.00 174.94 173.97 1ie7 s GLN 41 N 0.81 2.64 -0.15 2.79 0.74 -1.26 0.01 119.66 125.25 1ie7 s GLN 41 Ca -0.10 -0.71 -0.02 0.00 0.05 0.00 0.00 55.36 54.57 1ie7 s GLN 41 Cb -0.16 -2.19 -0.02 0.00 1.10 0.00 0.00 33.01 31.74 1ie7 s GLN 41 CO 0.01 -0.05 -0.07 0.08 -0.55 0.00 0.00 175.29 174.71 1ie7 s VAL 42 N 0.94 3.59 0.74 1.34 1.01 -0.21 -4.94 120.40 122.87 1ie7 s VAL 42 Ca -0.06 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 1ie7 s VAL 42 Cb -0.15 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1ie7 s VAL 42 CO -0.03 0.50 1.12 -0.83 0.00 0.00 0.00 175.10 175.87 1ie7 s GLY 43 N 0.38 1.62 0.50 4.51 0.00 -1.26 -0.83 107.32 112.23 1ie7 s GLY 43 Ca -0.06 -0.43 0.18 0.00 0.00 0.00 0.00 44.72 44.41 1ie7 s GLY 43 CO 0.04 -0.03 2.09 1.48 0.00 0.00 0.00 173.10 176.68 1ie7 h SER 44 N -0.77 0.00 -0.12 1.64 4.64 -1.59 -3.26 113.55 114.09 1ie7 h SER 44 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ie7 h SER 44 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ie7 h SER 44 CO 0.64 0.09 0.00 1.41 -0.87 0.00 0.00 176.83 178.11 1ie7 n HIS 45 N -4.26 0.18 -2.73 4.77 8.25 -1.26 -3.53 115.22 116.64 1ie7 n HIS 45 Ca -0.03 -0.54 -0.41 0.00 -0.26 0.00 0.00 57.72 56.48 1ie7 n HIS 45 Cb 0.17 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1ie7 n HIS 45 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1ie7 s ILE 46 N -1.15 4.61 -0.14 1.59 2.07 -1.23 -4.97 121.20 121.98 1ie7 s ILE 46 Ca 0.10 2.06 -0.35 0.00 -1.41 0.00 0.00 60.65 61.05 1ie7 s ILE 46 Cb 0.06 -4.32 -0.12 0.00 0.13 0.00 0.00 42.46 38.21 1ie7 s ILE 46 CO 0.06 0.27 1.87 1.57 -1.91 0.00 0.00 174.94 176.80 1ie7 n HIS 47 N 3.11 2.26 0.14 3.50 -0.00 -1.26 -4.59 115.22 118.39 1ie7 n HIS 47 Ca 0.03 0.10 -0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1ie7 n HIS 47 Cb 0.50 -2.62 0.26 0.00 -0.00 0.00 0.00 29.99 28.12 1ie7 n HIS 47 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1ie7 h PHE 48 N 8.95 0.10 0.00 1.57 3.57 -1.12 -1.88 116.94 128.13 1ie7 h PHE 48 Ca -0.48 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1ie7 h PHE 48 Cb 1.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1ie7 h PHE 48 CO 0.86 0.52 0.00 -0.24 -2.23 0.00 0.00 178.31 177.23 1ie7 h VAL 49 N 0.07 0.00 -0.68 1.41 3.04 -1.79 -2.47 116.25 115.84 1ie7 h VAL 49 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1ie7 h VAL 49 Cb 0.83 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1ie7 h VAL 49 CO 0.06 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 176.00 1ie7 n GLU 50 N -2.82 2.64 -1.07 4.17 1.02 -0.71 -4.97 120.64 118.90 1ie7 n GLU 50 Ca -0.01 -2.46 -0.30 0.00 -0.02 0.00 0.00 57.16 54.37 1ie7 n GLU 50 Cb 0.15 -1.55 0.15 0.00 -0.02 0.00 0.00 31.44 30.17 1ie7 n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1ie7 s VAL 51 N -1.14 2.60 -0.05 2.62 -7.23 -0.93 -4.66 120.40 111.62 1ie7 s VAL 51 Ca 0.46 0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 60.62 1ie7 s VAL 51 Cb 0.24 -2.57 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 1ie7 s VAL 51 CO 0.30 -0.26 0.58 -3.20 -0.31 0.00 0.00 175.10 172.22 1ie7 n ASN 52 N -3.99 0.11 -0.34 4.85 2.85 -1.26 -4.82 115.26 112.66 1ie7 n ASN 52 Ca 0.07 0.57 0.20 0.00 -0.11 0.00 0.00 54.58 55.32 1ie7 n ASN 52 Cb 0.54 -0.45 0.42 0.00 1.24 0.00 0.00 39.78 41.54 1ie7 n ASN 52 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1ie7 h LYS 53 N 1.67 0.48 0.00 1.20 1.57 -1.89 -0.28 116.57 119.32 1ie7 h LYS 53 Ca -0.24 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1ie7 h LYS 53 Cb 0.70 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1ie7 h LYS 53 CO 0.35 0.32 0.00 0.39 -0.57 0.00 0.00 179.45 179.94 1ie7 n GLU 54 N -4.88 0.56 -2.85 3.15 -0.58 -1.26 -1.46 120.64 113.33 1ie7 n GLU 54 Ca 0.28 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.63 1ie7 n GLU 54 Cb 0.82 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.16 1ie7 n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ie7 s LEU 55 N -2.25 4.06 -0.18 -4.62 1.43 -0.12 -1.96 118.68 115.04 1ie7 s LEU 55 Ca 0.30 0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 54.20 1ie7 s LEU 55 Cb 0.16 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1ie7 s LEU 55 CO 0.31 -0.62 0.33 -0.22 0.23 0.00 0.00 176.35 176.38 1ie7 s LEU 56 N 3.04 4.20 0.06 1.79 2.96 0.62 -4.34 118.68 127.02 1ie7 s LEU 56 Ca 0.37 0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 54.50 1ie7 s LEU 56 Cb -0.14 -2.42 0.09 0.00 0.50 0.00 0.00 46.19 44.21 1ie7 s LEU 56 CO 0.10 0.02 1.01 0.72 -1.32 0.00 0.00 176.35 176.88 1ie7 s PHE 57 N 0.85 -0.17 -0.66 5.38 -0.71 -1.25 -0.99 117.98 120.42 1ie7 s PHE 57 Ca 0.17 -0.04 -0.26 0.00 -1.04 0.00 0.00 56.93 55.76 1ie7 s PHE 57 Cb -0.14 0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 42.21 1ie7 s PHE 57 CO 0.06 -0.63 2.07 0.34 -1.34 0.00 0.00 175.22 175.72 1ie7 s ASP 58 N -2.78 4.89 0.46 1.98 -1.08 -1.26 -4.12 116.67 114.76 1ie7 s ASP 58 Ca 0.10 0.27 0.18 0.00 -0.52 0.00 0.00 52.55 52.58 1ie7 s ASP 58 Cb -0.00 -2.53 1.16 0.00 -1.46 0.00 0.00 42.92 40.09 1ie7 s ASP 58 CO -0.02 -2.74 1.97 0.03 0.52 0.00 0.00 175.17 174.92 1ie7 h ARG 59 N 15.04 0.26 -0.09 4.34 2.47 -1.63 -1.35 114.38 133.43 1ie7 h ARG 59 Ca -0.15 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.58 1ie7 h ARG 59 Cb 1.14 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1ie7 h ARG 59 CO 1.18 0.17 0.06 0.00 0.56 0.00 0.00 179.97 181.95 1ie7 h ALA 60 N 1.69 2.07 0.00 0.04 0.00 -1.88 0.28 119.26 121.46 1ie7 h ALA 60 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ie7 h ALA 60 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ie7 h ALA 60 CO -0.07 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.48 1ie7 n GLU 61 N -4.52 0.04 0.02 0.00 -0.58 -0.51 -2.94 120.64 112.17 1ie7 n GLU 61 Ca -0.01 0.09 0.12 0.00 -0.42 0.00 0.00 57.16 56.94 1ie7 n GLU 61 Cb 0.17 -1.56 0.20 0.00 -0.57 0.00 0.00 31.44 29.68 1ie7 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ie7 n GLY 62 N 1.16 -1.31 3.70 0.62 0.00 0.08 -4.86 105.19 104.60 1ie7 n GLY 62 Ca 0.06 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1ie7 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ie7 s ILE 63 N -3.08 3.37 -0.45 -0.61 1.01 -1.15 -2.49 121.20 117.80 1ie7 s ILE 63 Ca 0.09 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1ie7 s ILE 63 Cb 0.16 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1ie7 s ILE 63 CO 0.72 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.30 1ie7 n GLY 64 N 3.62 0.70 3.38 6.18 0.00 -1.26 -4.99 105.19 112.81 1ie7 n GLY 64 Ca 0.13 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1ie7 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ie7 s ARG 65 N -1.93 1.65 0.29 1.61 0.52 -1.04 -1.03 118.95 119.02 1ie7 s ARG 65 Ca 0.00 -1.95 -0.14 0.00 -0.52 0.00 0.00 55.73 53.12 1ie7 s ARG 65 Cb 0.00 -0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.21 1ie7 s ARG 65 CO 0.00 -0.42 0.57 -0.98 0.02 0.00 0.00 175.30 174.49 1ie7 s ARG 66 N -3.81 1.74 0.34 3.54 1.70 -0.35 -1.05 118.95 121.07 1ie7 s ARG 66 Ca 0.34 -1.29 -0.28 0.00 -0.47 0.00 0.00 55.73 54.02 1ie7 s ARG 66 Cb 0.05 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 1ie7 s ARG 66 CO 0.17 -0.75 1.32 -0.51 -1.08 0.00 0.00 175.30 174.45 1ie7 s LEU 67 N -3.03 4.39 -1.37 -1.89 1.43 -1.23 -0.04 118.68 116.93 1ie7 s LEU 67 Ca 0.20 2.72 -0.09 0.00 -1.03 0.00 0.00 54.13 55.93 1ie7 s LEU 67 Cb -0.02 -3.68 0.10 0.00 0.03 0.00 0.00 46.19 42.61 1ie7 s LEU 67 CO 0.10 -0.60 2.22 -3.20 0.23 0.00 0.00 176.35 175.10 1ie7 n ASN 68 N 0.68 6.09 -4.18 2.29 5.15 -0.06 -4.57 115.26 120.67 1ie7 n ASN 68 Ca 0.00 -3.00 -0.13 0.00 -0.60 0.00 0.00 54.58 50.86 1ie7 n ASN 68 Cb 0.42 -1.49 -0.10 0.00 -0.53 0.00 0.00 39.78 38.07 1ie7 n ASN 68 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ie7 s ILE 69 N 0.77 0.87 0.19 -1.44 -4.36 -1.26 -4.91 121.20 111.06 1ie7 s ILE 69 Ca 0.49 -1.77 -0.32 0.00 -0.26 0.00 0.00 60.65 58.79 1ie7 s ILE 69 Cb 0.14 -1.49 -0.15 0.00 1.25 0.00 0.00 42.46 42.20 1ie7 s ILE 69 CO -0.05 -0.68 1.20 -2.65 0.24 0.00 0.00 174.94 173.00 1ie7 n PRO 70 N 0.30 1.33 -1.65 0.37 -0.02 -1.26 -4.81 135.00 129.26 1ie7 n PRO 70 Ca -0.14 0.47 -0.50 0.00 -2.02 0.00 0.00 63.50 61.31 1ie7 n PRO 70 Cb 0.59 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 1ie7 n PRO 70 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ie7 n SER 71 N 2.00 2.56 0.00 2.55 2.88 -1.26 -1.72 113.62 120.63 1ie7 n SER 71 Ca 0.14 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1ie7 n SER 71 Cb 0.26 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1ie7 n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ie7 n GLY 72 N 3.34 0.74 3.97 0.46 0.00 -1.26 -5.05 105.19 107.39 1ie7 n GLY 72 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1ie7 n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ie7 s THR 73 N -2.54 2.27 0.05 2.61 -4.23 -0.70 -4.89 115.64 108.21 1ie7 s THR 73 Ca 0.00 -1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1ie7 s THR 73 Cb 0.00 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1ie7 s THR 73 CO 0.00 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.16 1ie7 s ALA 74 N -2.60 0.05 -0.15 3.99 0.00 -1.26 -1.56 121.76 120.23 1ie7 s ALA 74 Ca 0.52 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 1ie7 s ALA 74 Cb -0.05 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1ie7 s ALA 74 CO 0.32 -0.37 0.13 0.00 0.00 0.00 0.00 175.76 175.84 1ie7 s ALA 75 N -3.18 3.77 -0.12 0.00 0.00 -0.01 -4.91 121.76 117.30 1ie7 s ALA 75 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 1ie7 s ALA 75 Cb 0.02 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1ie7 s ALA 75 CO -0.07 0.43 -0.06 0.50 0.00 0.00 0.00 175.76 176.56 1ie7 s ARG 76 N -0.44 3.28 -0.28 0.00 3.52 -1.26 -1.04 118.95 122.72 1ie7 s ARG 76 Ca 0.12 -0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1ie7 s ARG 76 Cb -0.12 -2.76 0.05 0.00 -1.56 0.00 0.00 34.95 30.57 1ie7 s ARG 76 CO 0.02 0.41 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.81 1ie7 s PHE 77 N -0.11 3.26 0.85 5.12 0.40 0.10 -5.01 117.98 122.59 1ie7 s PHE 77 Ca 0.01 -2.03 -0.11 0.00 -0.60 0.00 0.00 56.93 54.21 1ie7 s PHE 77 Cb -0.13 -2.04 0.10 0.00 0.51 0.00 0.00 43.02 41.46 1ie7 s PHE 77 CO 0.03 -0.83 1.09 -1.21 0.70 0.00 0.00 175.22 175.00 1ie7 s GLU 78 N 1.20 1.64 0.02 0.44 0.41 -1.26 -1.21 118.70 119.94 1ie7 s GLU 78 Ca -0.06 1.02 -0.33 0.00 -0.41 0.00 0.00 54.97 55.18 1ie7 s GLU 78 Cb -0.20 -1.84 -0.12 0.00 -1.78 0.00 0.00 34.13 30.20 1ie7 s GLU 78 CO -0.03 -2.03 1.83 -2.30 -0.49 0.00 0.00 175.26 172.24 1ie7 n PRO 79 N -3.77 2.39 -0.37 0.39 -0.02 -1.26 -1.00 135.00 131.35 1ie7 n PRO 79 Ca 0.08 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1ie7 n PRO 79 Cb 0.54 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1ie7 n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ie7 n GLY 80 N 4.19 1.55 3.74 -1.23 0.00 -0.31 -5.01 105.19 108.12 1ie7 n GLY 80 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1ie7 n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ie7 s GLU 81 N -0.26 4.69 -0.07 1.61 2.12 -0.17 -4.72 118.70 121.90 1ie7 s GLU 81 Ca 0.00 1.55 0.03 0.00 0.36 0.00 0.00 54.97 56.91 1ie7 s GLU 81 Cb 0.00 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 1ie7 s GLU 81 CO 0.00 0.22 -0.16 -2.00 -0.54 0.00 0.00 175.26 172.77 1ie7 s GLU 82 N -0.32 2.71 0.19 4.30 2.12 -1.26 -0.82 118.70 125.62 1ie7 s GLU 82 Ca 0.47 -0.74 -0.23 0.00 0.36 0.00 0.00 54.97 54.83 1ie7 s GLU 82 Cb -0.26 -2.39 0.05 0.00 0.26 0.00 0.00 34.13 31.80 1ie7 s GLU 82 CO 0.32 0.48 0.67 0.00 -0.54 0.00 0.00 175.26 176.18 1ie7 s MET 83 N -0.36 1.43 0.12 4.30 0.23 -0.25 -4.97 119.30 119.79 1ie7 s MET 83 Ca 0.03 -0.64 -0.14 0.00 -1.03 0.00 0.00 55.69 53.91 1ie7 s MET 83 Cb -0.12 0.58 -0.07 0.00 -1.53 0.00 0.00 34.83 33.69 1ie7 s MET 83 CO 0.02 -0.64 0.52 -1.21 -2.03 0.00 0.00 175.02 171.68 1ie7 s GLU 84 N -3.76 3.96 0.17 3.16 2.02 -1.26 -0.90 118.70 122.09 1ie7 s GLU 84 Ca 0.05 0.46 0.06 0.00 0.02 0.00 0.00 54.97 55.56 1ie7 s GLU 84 Cb -0.03 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.17 1ie7 s GLU 84 CO -0.06 0.52 -0.12 0.14 0.02 0.00 0.00 175.26 175.76 1ie7 s VAL 85 N -1.39 1.42 -0.16 2.63 -7.23 -0.02 -4.96 120.40 110.68 1ie7 s VAL 85 Ca 0.35 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1ie7 s VAL 85 Cb -0.15 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 1ie7 s VAL 85 CO 0.19 -0.68 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.54 1ie7 s GLU 86 N -3.69 3.58 0.11 4.82 2.12 -1.26 -1.91 118.70 122.46 1ie7 s GLU 86 Ca 0.19 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.98 1ie7 s GLU 86 Cb 0.01 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1ie7 s GLU 86 CO 0.03 0.18 0.19 -0.51 -0.54 0.00 0.00 175.26 174.61 1ie7 s LEU 87 N 0.52 4.15 0.34 2.70 1.43 0.29 -0.88 118.68 127.22 1ie7 s LEU 87 Ca -0.04 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 1ie7 s LEU 87 Cb -0.15 -2.76 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 1ie7 s LEU 87 CO 0.03 0.12 -0.04 0.28 0.23 0.00 0.00 176.35 176.97 1ie7 s THR 88 N -1.59 1.88 0.28 5.49 -1.32 0.94 -0.98 115.64 120.34 1ie7 s THR 88 Ca 0.33 -2.11 -0.28 0.00 -1.21 0.00 0.00 61.69 58.42 1ie7 s THR 88 Cb -0.12 -2.69 -0.09 0.00 -1.51 0.00 0.00 72.50 68.09 1ie7 s THR 88 CO 0.26 -0.16 0.97 -1.61 -2.21 0.00 0.00 174.62 171.88 1ie7 s GLU 89 N -3.70 4.69 0.72 7.08 0.41 -1.22 -1.21 118.70 125.46 1ie7 s GLU 89 Ca 0.33 1.49 -0.15 0.00 -0.41 0.00 0.00 54.97 56.22 1ie7 s GLU 89 Cb 0.05 -3.07 0.03 0.00 -1.78 0.00 0.00 34.13 29.37 1ie7 s GLU 89 CO 0.15 0.36 1.20 -0.51 -0.49 0.00 0.00 175.26 175.97 1ie7 s LEU 90 N -1.59 3.34 0.00 1.80 1.43 -0.20 -4.83 118.68 118.64 1ie7 s LEU 90 Ca 0.45 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 1ie7 s LEU 90 Cb -0.24 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.39 1ie7 s LEU 90 CO 0.30 -2.18 0.00 0.61 0.23 0.00 0.00 176.35 175.31 1ie7 n GLY 91 N 0.34 4.50 7.00 -3.19 0.00 -1.26 -4.85 105.19 107.73 1ie7 n GLY 91 Ca 0.13 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1ie7 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ie7 n GLY 92 N 5.00 3.37 0.00 -0.02 0.00 -1.26 -1.59 105.19 110.69 1ie7 n GLY 92 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1ie7 n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ie7 n ASN 93 N 4.07 0.00 -3.57 1.61 3.02 -1.26 -4.93 115.26 114.20 1ie7 n ASN 93 Ca 0.00 0.44 -0.23 0.00 -0.03 0.00 0.00 54.58 54.76 1ie7 n ASN 93 Cb 0.00 -0.48 0.05 0.00 -0.61 0.00 0.00 39.78 38.74 1ie7 n ASN 93 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ie7 n ARG 94 N -1.48 -3.14 -4.28 3.52 1.74 -0.62 -4.90 116.66 107.50 1ie7 n ARG 94 Ca 0.07 0.64 -0.18 0.00 -0.77 0.00 0.00 57.85 57.62 1ie7 n ARG 94 Cb 0.32 -5.04 -0.14 0.00 -1.02 0.00 0.00 32.46 26.58 1ie7 n ARG 94 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ie7 s GLU 95 N -5.55 0.72 -0.04 5.56 2.02 -1.26 -1.66 118.70 118.49 1ie7 s GLU 95 Ca 0.27 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.74 1ie7 s GLU 95 Cb -0.07 -0.67 0.01 0.00 0.10 0.00 0.00 34.13 33.50 1ie7 s GLU 95 CO 0.81 0.17 -0.09 0.08 0.02 0.00 0.00 175.26 176.24 1ie7 s VAL 96 N -0.65 0.85 0.05 2.63 1.01 -0.44 -4.94 120.40 118.92 1ie7 s VAL 96 Ca 0.00 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1ie7 s VAL 96 Cb -0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1ie7 s VAL 96 CO 0.00 0.28 -0.18 -0.36 0.00 0.00 0.00 175.10 174.84 1ie7 s PHE 97 N 0.49 1.60 0.00 5.22 0.08 -1.26 -1.14 117.98 122.96 1ie7 s PHE 97 Ca -0.09 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1ie7 s PHE 97 Cb -0.12 -0.93 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1ie7 s PHE 97 CO 0.01 0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.64 1ie7 n GLY 98 N 1.70 1.49 7.00 4.36 0.00 -1.26 -4.90 105.19 113.58 1ie7 n GLY 98 Ca -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1ie7 n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ie7 n ILE 99 N 0.00 0.00 0.42 -0.61 5.41 -1.26 -0.24 119.36 123.08 1ie7 n ILE 99 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 1ie7 n ILE 99 Cb 0.00 0.00 0.13 0.00 -0.71 0.00 0.00 39.64 39.06 1ie7 n ILE 99 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ie7 n SER 100 N 8.78 2.82 -1.67 4.38 7.64 -1.26 -4.96 113.62 129.35 1ie7 n SER 100 Ca 0.00 -1.83 -0.14 0.00 1.01 0.00 0.00 58.87 57.91 1ie7 n SER 100 Cb 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1ie7 n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ie7 n ASP 101 N 1.05 -4.25 0.08 6.43 8.00 0.67 -4.91 116.55 123.62 1ie7 n ASP 101 Ca 0.13 -0.06 0.08 0.00 0.71 0.00 0.00 54.79 55.65 1ie7 n ASP 101 Cb 0.48 -3.34 -0.02 0.00 -0.02 0.00 0.00 41.12 38.21 1ie7 n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ie7 n LEU 102 N -2.13 0.85 0.01 0.64 4.77 -1.26 -4.72 117.00 115.15 1ie7 n LEU 102 Ca -0.13 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 1ie7 n LEU 102 Cb 0.61 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1ie7 n LEU 102 CO 0.22 -0.10 -0.15 0.41 -1.33 0.00 0.00 177.39 176.44 1ie7 n THR 103 N -2.73 0.96 -4.05 -5.08 -1.04 -1.26 -4.29 114.28 96.78 1ie7 n THR 103 Ca -0.03 0.28 -0.45 0.00 -2.04 0.00 0.00 64.05 61.81 1ie7 n THR 103 Cb 0.63 -1.63 0.02 0.00 -1.82 0.00 0.00 70.33 67.52 1ie7 n THR 103 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ie7 n ASN 104 N -3.43 -4.04 0.00 8.00 3.02 -0.52 -4.77 115.26 113.51 1ie7 n ASN 104 Ca -0.03 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1ie7 n ASN 104 Cb 0.11 -1.83 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 1ie7 n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ie7 n GLY 105 N -2.08 -0.07 3.74 7.41 0.00 -0.29 -4.97 105.19 108.93 1ie7 n GLY 105 Ca -0.12 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1ie7 n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ie7 s SER 106 N -4.00 4.81 0.00 1.61 0.15 -1.26 -1.32 113.70 113.68 1ie7 s SER 106 Ca 0.00 2.63 0.30 0.00 0.70 0.00 0.00 55.95 59.57 1ie7 s SER 106 Cb 0.00 -2.62 1.40 0.00 -1.71 0.00 0.00 66.02 63.09 1ie7 s SER 106 CO 0.00 -1.87 1.95 1.33 1.20 0.00 0.00 173.24 175.85 1ie7 n VAL 107 N -1.68 0.00 0.27 4.45 0.24 -0.67 -3.38 118.33 117.57 1ie7 n VAL 107 Ca 0.14 -0.06 0.16 0.00 -2.04 0.00 0.00 64.34 62.54 1ie7 n VAL 107 Cb 0.48 -0.16 0.68 0.00 -1.47 0.00 0.00 33.84 33.36 1ie7 n VAL 107 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1ie7 h ASP 108 N 0.60 0.00 -0.51 -1.34 3.32 -1.90 -3.38 116.42 113.21 1ie7 h ASP 108 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 1ie7 h ASP 108 Cb 0.28 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 1ie7 h ASP 108 CO 0.00 0.05 2.64 0.59 -1.72 0.00 0.00 179.24 180.79 1ie7 n ASN 109 N -3.18 4.42 -0.07 6.45 3.02 -1.22 -4.76 115.26 119.93 1ie7 n ASN 109 Ca 0.00 -2.89 -0.13 0.00 -0.03 0.00 0.00 54.58 51.53 1ie7 n ASN 109 Cb 0.31 -1.68 -0.02 0.00 -0.61 0.00 0.00 39.78 37.78 1ie7 n ASN 109 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ie7 h LYS 110 N 6.65 0.83 -0.58 3.52 1.57 -1.91 -1.85 116.57 124.80 1ie7 h LYS 110 Ca 0.50 -0.51 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ie7 h LYS 110 Cb 0.74 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1ie7 h LYS 110 CO 1.68 1.14 0.26 1.49 -0.57 0.00 0.00 179.45 183.44 1ie7 h GLU 111 N 0.65 0.84 -0.40 3.15 4.81 -1.96 0.64 114.58 122.32 1ie7 h GLU 111 Ca 0.02 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1ie7 h GLU 111 Cb 1.11 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1ie7 h GLU 111 CO 0.11 0.71 -0.07 1.25 -0.73 0.00 0.00 179.01 180.28 1ie7 h LEU 112 N 0.79 0.74 -0.29 1.64 5.85 -1.91 -0.99 115.31 121.15 1ie7 h LEU 112 Ca 0.20 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ie7 h LEU 112 Cb 0.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1ie7 h LEU 112 CO -0.02 0.92 0.16 0.40 -0.34 0.00 0.00 178.44 179.56 1ie7 h ILE 113 N 0.56 1.12 -0.12 4.05 2.04 -1.04 -1.42 117.51 122.70 1ie7 h ILE 113 Ca 0.10 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1ie7 h ILE 113 Cb 0.58 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1ie7 h ILE 113 CO 0.03 0.12 -0.29 -0.07 0.00 0.00 0.00 178.15 177.95 1ie7 h LEU 114 N 0.35 0.22 -0.24 1.44 3.38 -0.84 -0.31 115.31 119.31 1ie7 h LEU 114 Ca 0.10 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ie7 h LEU 114 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ie7 h LEU 114 CO -0.02 0.50 0.03 -0.61 0.09 0.00 0.00 178.44 178.44 1ie7 h GLN 115 N 0.19 0.40 -0.68 1.13 4.15 -0.54 -0.29 115.11 119.48 1ie7 h GLN 115 Ca 0.03 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1ie7 h GLN 115 Cb 0.61 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1ie7 h GLN 115 CO 0.04 0.55 0.36 0.00 -1.93 0.00 0.00 178.83 177.85 1ie7 h ARG 116 N 0.20 0.95 -0.59 1.69 3.08 -0.98 -1.60 114.38 117.14 1ie7 h ARG 116 Ca 0.07 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ie7 h ARG 116 Cb 0.34 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1ie7 h ARG 116 CO 0.01 0.73 0.34 0.00 -1.07 0.00 0.00 179.97 179.98 1ie7 h ALA 117 N 1.18 0.75 -0.38 0.04 0.00 -0.85 -1.60 119.26 118.39 1ie7 h ALA 117 Ca 0.24 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1ie7 h ALA 117 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ie7 h ALA 117 CO -0.04 0.25 -0.05 -0.22 0.00 0.00 0.00 179.25 179.19 1ie7 h LYS 118 N 0.80 0.71 -0.80 0.00 3.64 -0.95 -0.58 116.57 119.38 1ie7 h LYS 118 Ca 0.21 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ie7 h LYS 118 Cb 0.00 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1ie7 h LYS 118 CO -0.04 0.83 0.46 1.49 -2.27 0.00 0.00 179.45 179.93 1ie7 h GLU 119 N 0.52 1.09 -0.01 1.90 4.22 -1.06 -1.82 114.58 119.42 1ie7 h GLU 119 Ca 0.10 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1ie7 h GLU 119 Cb 0.55 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ie7 h GLU 119 CO 0.03 0.78 0.00 1.28 -2.18 0.00 0.00 179.01 178.92 1ie7 n LEU 120 N -4.37 0.98 0.00 1.64 4.77 -0.62 -4.95 117.00 114.45 1ie7 n LEU 120 Ca 0.08 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1ie7 n LEU 120 Cb 0.08 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1ie7 n LEU 120 CO 0.38 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1ie7 n GLY 121 N 1.11 0.59 3.60 -0.72 0.00 -0.56 -5.03 105.19 104.18 1ie7 n GLY 121 Ca 0.21 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1ie7 n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ie7 s TYR 122 N -2.00 2.12 0.43 1.61 1.51 -0.34 -4.77 117.35 115.91 1ie7 s TYR 122 Ca 0.00 0.64 -0.26 0.00 -1.01 0.00 0.00 57.07 56.45 1ie7 s TYR 122 Cb 0.00 -4.23 -0.09 0.00 -0.11 0.00 0.00 41.96 37.54 1ie7 s TYR 122 CO 0.00 -2.45 1.38 0.15 -1.11 0.00 0.00 175.55 173.51 1ie7 s LYS 123 N 5.27 3.83 0.00 -0.62 1.02 -0.53 -4.02 119.74 124.69 1ie7 s LYS 123 Ca 0.70 2.32 0.00 0.00 0.02 0.00 0.00 55.97 59.01 1ie7 s LYS 123 Cb -0.18 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1ie7 s LYS 123 CO 0.33 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 1ie7 n GLY 124 N 0.61 0.88 3.58 -3.33 0.00 -1.26 -3.77 105.19 101.90 1ie7 n GLY 124 Ca 0.04 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1ie7 n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ie7 s VAL 125 N -2.00 3.77 0.00 1.61 1.01 -1.26 -1.89 120.40 121.65 1ie7 s VAL 125 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1ie7 s VAL 125 Cb 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1ie7 s VAL 125 CO 0.00 -1.08 0.00 1.21 0.00 0.00 0.00 175.10 175.23