#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihz s THR 5 N 0.00 3.24 -0.27 6.31 2.01 -1.26 -4.96 115.64 120.70 3ihz s THR 5 Ca 0.00 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.15 3ihz s THR 5 Cb 0.00 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 3ihz s THR 5 CO 0.00 -0.12 0.20 -0.22 -0.69 0.00 0.00 174.62 173.80 3ihz s LEU 6 N 6.37 4.04 -0.27 4.42 2.96 -1.26 -5.03 118.68 129.91 3ihz s LEU 6 Ca 0.88 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 3ihz s LEU 6 Cb -0.32 -2.15 0.07 0.00 0.50 0.00 0.00 46.19 44.29 3ihz s LEU 6 CO 0.35 -0.05 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.70 3ihz s GLU 7 N 1.69 1.57 -0.38 1.98 2.02 -1.26 -5.06 118.70 119.25 3ihz s GLU 7 Ca 0.08 -1.22 -0.05 0.00 0.02 0.00 0.00 54.97 53.80 3ihz s GLU 7 Cb -0.16 -2.68 0.08 0.00 0.10 0.00 0.00 34.13 31.47 3ihz s GLU 7 CO 0.10 -0.70 0.17 -0.65 0.02 0.00 0.00 175.26 174.19 3ihz s GLN 8 N 1.29 2.39 -0.27 1.61 -0.21 -1.26 -1.11 119.66 122.10 3ihz s GLN 8 Ca -0.01 -1.48 -0.18 0.00 0.02 0.00 0.00 55.36 53.71 3ihz s GLN 8 Cb -0.19 -3.55 -0.03 0.00 1.00 0.00 0.00 33.01 30.24 3ihz s GLN 8 CO -0.09 -0.88 0.50 0.08 -2.12 0.00 0.00 175.29 172.79 3ihz s VAL 9 N 1.30 5.07 -0.45 1.09 1.01 0.60 -4.87 120.40 124.17 3ihz s VAL 9 Ca 0.02 0.78 -0.23 0.00 0.00 0.00 0.00 61.98 62.55 3ihz s VAL 9 Cb -0.22 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.36 3ihz s VAL 9 CO -0.00 0.06 0.78 -1.00 0.00 0.00 0.00 175.10 174.93 3ihz s HIS 10 N 2.30 3.00 -1.52 5.22 3.76 -1.26 -0.48 115.29 126.31 3ihz s HIS 10 Ca 0.20 0.16 0.24 0.00 -0.15 0.00 0.00 55.06 55.51 3ihz s HIS 10 Cb -0.16 -3.64 0.25 0.00 1.11 0.00 0.00 32.58 30.15 3ihz s HIS 10 CO 0.10 -0.97 1.24 1.28 -0.85 0.00 0.00 174.74 175.53 3ihz n LEU 11 N 6.68 1.22 -4.12 0.89 4.77 -0.52 -4.89 117.00 121.03 3ihz n LEU 11 Ca 0.02 -0.42 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 3ihz n LEU 11 Cb 0.48 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3ihz n LEU 11 CO 0.58 0.25 -0.38 0.42 -1.33 0.00 0.00 177.39 176.93 3ihz s THR 12 N -2.71 0.50 -0.12 -5.08 -4.23 -1.25 -5.00 115.64 97.75 3ihz s THR 12 Ca 0.16 -1.68 0.30 0.00 -1.18 0.00 0.00 61.69 59.29 3ihz s THR 12 Cb 0.18 -1.35 0.34 0.00 1.34 0.00 0.00 72.50 73.01 3ihz s THR 12 CO 0.65 -0.79 1.88 -0.08 -0.54 0.00 0.00 174.62 175.74 3ihz h GLU 13 N 3.40 0.00 -0.32 3.99 4.57 -1.96 -3.10 114.58 121.16 3ihz h GLU 13 Ca -0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3ihz h GLU 13 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3ihz h GLU 13 CO 0.59 0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 178.02 3ihz n ASP 14 N -2.78 2.88 0.00 1.04 5.68 -1.26 -4.92 116.55 117.19 3ihz n ASP 14 Ca 0.01 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 3ihz n ASP 14 Cb 0.28 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3ihz n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ihz n GLY 15 N 1.38 0.66 0.00 6.12 0.00 -1.17 -4.89 105.19 107.29 3ihz n GLY 15 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3ihz n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihz n GLY 16 N -2.43 -1.32 2.71 -0.02 0.00 -1.26 -4.52 105.19 98.36 3ihz n GLY 16 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 3ihz n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihz s VAL 17 N -3.00 0.60 -0.20 1.61 1.01 -1.26 -0.85 120.40 118.32 3ihz s VAL 17 Ca 0.12 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3ihz s VAL 17 Cb 0.18 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.32 3ihz s VAL 17 CO 0.65 -0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.50 3ihz s VAL 18 N 1.79 1.68 -0.37 2.92 1.01 -0.78 -1.44 120.40 125.21 3ihz s VAL 18 Ca 0.04 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 3ihz s VAL 18 Cb -0.17 -1.74 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 3ihz s VAL 18 CO -0.18 0.20 0.32 -0.75 0.00 0.00 0.00 175.10 174.68 3ihz s LYS 19 N 1.38 3.31 -0.15 2.72 2.20 0.37 -1.04 119.74 128.53 3ihz s LYS 19 Ca -0.01 -0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 54.71 3ihz s LYS 19 Cb -0.16 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 3ihz s LYS 19 CO -0.08 -0.61 0.52 0.99 -0.36 0.00 0.00 175.35 175.81 3ihz s THR 20 N 1.85 5.13 -0.20 3.43 2.01 0.45 -0.29 115.64 128.02 3ihz s THR 20 Ca 0.08 1.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.87 3ihz s THR 20 Cb -0.18 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 3ihz s THR 20 CO 0.11 0.24 0.66 -0.63 -0.69 0.00 0.00 174.62 174.32 3ihz s ILE 21 N 1.14 4.99 -0.23 1.82 1.01 -0.27 -0.67 121.20 129.00 3ihz s ILE 21 Ca 0.26 1.25 0.03 0.00 0.00 0.00 0.00 60.65 62.18 3ihz s ILE 21 Cb -0.15 -3.97 -0.19 0.00 0.01 0.00 0.00 42.46 38.15 3ihz s ILE 21 CO 0.11 0.08 -0.08 0.18 0.00 0.00 0.00 174.94 175.23 3ihz n LEU 22 N 5.18 2.57 -3.81 2.97 4.77 0.50 -4.59 117.00 124.58 3ihz n LEU 22 Ca -0.00 -0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 55.74 3ihz n LEU 22 Cb 0.49 -0.77 -0.16 0.00 -2.33 0.00 0.00 43.42 40.65 3ihz n LEU 22 CO 0.44 0.87 -0.38 -0.60 -1.33 0.00 0.00 177.39 176.40 3ihz s ARG 23 N -2.52 0.38 0.44 3.23 3.52 -0.45 -4.97 118.95 118.59 3ihz s ARG 23 Ca -0.30 0.07 -0.24 0.00 -0.13 0.00 0.00 55.73 55.14 3ihz s ARG 23 Cb 0.08 -0.59 -0.08 0.00 -1.56 0.00 0.00 34.95 32.81 3ihz s ARG 23 CO 0.66 -0.16 1.23 0.15 -0.81 0.00 0.00 175.30 176.37 3ihz s LYS 24 N 1.18 3.79 1.10 5.12 -0.14 -1.26 -1.64 119.74 127.89 3ihz s LYS 24 Ca -0.07 1.96 -0.14 0.00 -1.36 0.00 0.00 55.97 56.36 3ihz s LYS 24 Cb -0.13 -2.55 0.24 0.00 -1.68 0.00 0.00 37.83 33.71 3ihz s LYS 24 CO -0.02 -0.58 1.07 0.20 -0.76 0.00 0.00 175.35 175.27 3ihz s GLY 25 N -1.07 1.55 0.56 -3.33 0.00 -1.26 -4.46 107.32 99.30 3ihz s GLY 25 Ca 0.61 -0.46 -0.21 0.00 0.00 0.00 0.00 44.72 44.66 3ihz s GLY 25 CO 0.41 0.25 1.30 -0.54 0.00 0.00 0.00 173.10 174.53 3ihz s GLU 26 N -4.94 3.11 1.10 2.90 2.02 0.42 -4.86 118.70 118.45 3ihz s GLU 26 Ca 0.67 2.10 -0.16 0.00 0.02 0.00 0.00 54.97 57.59 3ihz s GLU 26 Cb -0.18 -2.17 0.24 0.00 0.10 0.00 0.00 34.13 32.12 3ihz s GLU 26 CO 0.59 -1.17 1.13 0.20 0.02 0.00 0.00 175.26 176.02 3ihz s GLY 27 N -1.16 1.59 0.00 -1.39 0.00 -1.26 -4.73 107.32 100.37 3ihz s GLY 27 Ca 0.73 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.67 3ihz s GLY 27 CO 0.43 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 174.13 3ihz n GLY 28 N -1.35 -0.77 0.34 0.20 0.00 -1.26 -4.59 105.19 97.76 3ihz n GLY 28 Ca 0.10 -0.99 0.18 0.00 0.00 0.00 0.00 46.02 45.31 3ihz n GLY 28 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ihz h GLU 29 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -0.15 114.58 114.05 3ihz h GLU 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3ihz h GLU 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3ihz h GLU 29 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 179.01 178.16 3ihz n GLU 30 N -3.52 0.07 -0.70 1.06 0.00 -1.26 -1.54 120.64 114.75 3ihz n GLU 30 Ca 0.01 0.50 0.07 0.00 0.00 0.00 0.00 57.16 57.74 3ihz n GLU 30 Cb 0.34 -1.71 0.35 0.00 0.00 0.00 0.00 31.44 30.41 3ihz n GLU 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3ihz n ASN 31 N -1.86 4.86 -4.35 -1.84 5.03 -0.07 -4.87 115.26 112.17 3ihz n ASN 31 Ca 0.00 -2.65 -0.34 0.00 0.87 0.00 0.00 54.58 52.46 3ihz n ASN 31 Cb 0.07 -0.62 -0.14 0.00 -1.02 0.00 0.00 39.78 38.07 3ihz n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ihz s ALA 32 N -2.25 2.78 0.71 5.41 0.00 -0.59 0.34 121.76 128.16 3ihz s ALA 32 Ca 0.48 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 3ihz s ALA 32 Cb 0.34 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.94 3ihz s ALA 32 CO 0.18 -0.16 1.10 -1.25 0.00 0.00 0.00 175.76 175.62 3ihz s PRO 33 N 1.03 2.57 0.19 0.00 0.04 -1.26 -5.04 135.00 132.52 3ihz s PRO 33 Ca 0.00 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.39 3ihz s PRO 33 Cb -0.15 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3ihz s PRO 33 CO -0.00 -1.41 -0.08 0.15 0.04 0.00 0.00 177.00 175.70 3ihz s LYS 34 N -4.51 2.12 0.20 4.56 1.02 -1.26 -4.98 119.74 116.89 3ihz s LYS 34 Ca 0.64 -1.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.05 3ihz s LYS 34 Cb -0.18 -2.18 -0.15 0.00 -0.52 0.00 0.00 37.83 34.79 3ihz s LYS 34 CO 0.49 0.43 1.06 1.17 -0.92 0.00 0.00 175.35 177.57 3ihz n LYS 35 N -0.07 1.08 0.00 1.68 4.81 -1.26 -1.30 118.16 123.09 3ihz n LYS 35 Ca -0.10 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 3ihz n LYS 35 Cb 0.56 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.81 3ihz n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ihz n GLY 36 N 1.77 3.19 3.77 3.14 0.00 0.10 -4.97 105.19 112.19 3ihz n GLY 36 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3ihz n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ihz s ASN 37 N -0.43 6.25 -0.06 1.61 0.02 -0.42 -4.59 114.94 117.32 3ihz s ASN 37 Ca 0.00 2.60 -0.30 0.00 -1.02 0.00 0.00 52.86 54.15 3ihz s ASN 37 Cb 0.00 -2.63 -0.03 0.00 0.02 0.00 0.00 41.25 38.61 3ihz s ASN 37 CO 0.00 -0.89 1.10 -0.70 0.02 0.00 0.00 177.10 176.63 3ihz s GLU 38 N -2.33 4.41 0.13 -0.60 2.12 0.06 -0.86 118.70 121.64 3ihz s GLU 38 Ca 0.58 1.54 0.06 0.00 0.36 0.00 0.00 54.97 57.51 3ihz s GLU 38 Cb -0.37 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 3ihz s GLU 38 CO 0.47 -0.33 0.00 0.14 -0.54 0.00 0.00 175.26 175.00 3ihz s VAL 39 N 1.87 3.90 -0.11 3.70 -7.23 0.01 -0.28 120.40 122.25 3ihz s VAL 39 Ca 0.53 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 3ihz s VAL 39 Cb -0.22 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.82 3ihz s VAL 39 CO 0.22 0.02 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.93 3ihz s THR 40 N -1.49 1.87 0.11 5.32 2.01 0.70 -2.53 115.64 121.63 3ihz s THR 40 Ca 0.26 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.39 3ihz s THR 40 Cb -0.11 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 3ihz s THR 40 CO 0.18 0.51 -0.04 0.68 -0.69 0.00 0.00 174.62 175.27 3ihz s VAL 41 N 0.64 0.60 0.12 3.82 -7.23 -0.05 -0.62 120.40 117.68 3ihz s VAL 41 Ca -0.12 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 3ihz s VAL 41 Cb -0.16 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 3ihz s VAL 41 CO 0.03 -0.79 -0.09 -1.00 -0.31 0.00 0.00 175.10 172.94 3ihz s HIS 42 N -3.69 2.74 0.03 2.82 3.76 -0.72 -0.77 115.29 119.46 3ihz s HIS 42 Ca 0.14 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 54.78 3ihz s HIS 42 Cb 0.06 -1.41 0.01 0.00 1.11 0.00 0.00 32.58 32.35 3ihz s HIS 42 CO -0.03 0.45 0.24 1.52 -0.85 0.00 0.00 174.74 176.06 3ihz s TYR 43 N -1.33 -0.03 -0.10 1.40 -0.85 -1.26 -0.81 117.35 114.38 3ihz s TYR 43 Ca 0.23 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.67 3ihz s TYR 43 Cb -0.11 0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.28 3ihz s TYR 43 CO 0.15 -0.43 -0.08 0.08 -1.52 0.00 0.00 175.55 173.74 3ihz s VAL 44 N -2.27 0.97 -0.15 -3.49 1.01 -0.09 -1.25 120.40 115.13 3ihz s VAL 44 Ca -0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3ihz s VAL 44 Cb -0.02 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3ihz s VAL 44 CO -0.02 0.35 0.01 -0.83 0.00 0.00 0.00 175.10 174.61 3ihz s GLY 45 N 1.46 1.82 0.08 4.51 0.00 0.68 -0.68 107.32 115.19 3ihz s GLY 45 Ca -0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 43.90 3ihz s GLY 45 CO -0.05 -0.15 0.05 -1.59 0.00 0.00 0.00 173.10 171.37 3ihz s LYS 46 N 0.05 0.75 0.02 2.90 0.00 0.32 -0.39 119.74 123.40 3ihz s LYS 46 Ca 0.03 -1.20 -0.25 0.00 0.00 0.00 0.00 55.97 54.55 3ihz s LYS 46 Cb -0.13 0.26 -0.05 0.00 0.00 0.00 0.00 37.83 37.91 3ihz s LYS 46 CO 0.02 -0.19 0.77 -0.51 0.00 0.00 0.00 175.35 175.44 3ihz s LEU 47 N -2.93 4.42 0.23 2.77 1.43 -0.68 -0.54 118.68 123.37 3ihz s LEU 47 Ca 0.10 1.41 -0.07 0.00 -1.03 0.00 0.00 54.13 54.55 3ihz s LEU 47 Cb 0.07 -3.23 0.20 0.00 0.03 0.00 0.00 46.19 43.26 3ihz s LEU 47 CO -0.08 -0.03 1.80 -0.08 0.23 0.00 0.00 176.35 178.19 3ihz h GLU 48 N 5.97 1.18 -0.17 1.70 4.81 -1.67 0.17 114.58 126.57 3ihz h GLU 48 Ca -0.43 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 3ihz h GLU 48 Cb 1.20 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3ihz h GLU 48 CO 0.72 0.94 0.07 0.66 -0.73 0.00 0.00 179.01 180.67 3ihz h SER 49 N 1.15 0.23 0.02 1.04 4.64 -1.93 -3.19 113.55 115.51 3ihz h SER 49 Ca 0.27 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ihz h SER 49 Cb 0.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ihz h SER 49 CO -0.02 0.33 -1.44 -1.54 -0.87 0.00 0.00 176.83 173.29 3ihz n SER 50 N -4.86 0.55 0.00 4.97 3.41 -1.24 -4.98 113.62 111.47 3ihz n SER 50 Ca -0.04 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 3ihz n SER 50 Cb 0.12 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 3ihz n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ihz n GLY 51 N 1.39 0.40 3.73 5.00 0.00 0.58 -5.00 105.19 111.29 3ihz n GLY 51 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3ihz n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihz s LYS 52 N -0.70 4.62 0.23 1.61 -0.14 -1.24 -4.70 119.74 119.41 3ihz s LYS 52 Ca 0.00 1.33 -0.30 0.00 -1.36 0.00 0.00 55.97 55.64 3ihz s LYS 52 Cb 0.00 -3.38 -0.09 0.00 -1.68 0.00 0.00 37.83 32.68 3ihz s LYS 52 CO 0.00 0.20 1.28 0.08 -0.76 0.00 0.00 175.35 176.15 3ihz s VAL 53 N 0.11 3.18 -0.30 3.17 1.01 -1.26 -1.69 120.40 124.62 3ihz s VAL 53 Ca 0.45 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.53 3ihz s VAL 53 Cb -0.22 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 3ihz s VAL 53 CO 0.27 0.17 0.31 2.22 0.00 0.00 0.00 175.10 178.08 3ihz n PHE 54 N 2.22 0.00 -3.63 5.22 1.16 0.48 -4.96 117.46 117.96 3ihz n PHE 54 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 3ihz n PHE 54 Cb 0.43 -0.05 -0.07 0.00 -1.61 0.00 0.00 39.48 38.19 3ihz n PHE 54 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3ihz s ASP 55 N -2.05 -0.40 -0.11 5.98 2.15 -1.18 -5.02 116.67 116.04 3ihz s ASP 55 Ca 0.02 0.70 -0.04 0.00 0.43 0.00 0.00 52.55 53.65 3ihz s ASP 55 Cb 0.06 0.68 0.06 0.00 -0.30 0.00 0.00 42.92 43.42 3ihz s ASP 55 CO 0.34 -0.18 0.22 -0.55 -0.17 0.00 0.00 175.17 174.83 3ihz s SER 56 N -0.10 0.40 0.44 -0.34 0.15 -1.26 -0.23 113.70 112.76 3ihz s SER 56 Ca 0.02 0.49 0.21 0.00 0.70 0.00 0.00 55.95 57.38 3ihz s SER 56 Cb -0.04 0.51 1.03 0.00 -1.71 0.00 0.00 66.02 65.81 3ihz s SER 56 CO -0.05 -0.23 1.90 0.77 1.20 0.00 0.00 173.24 176.83 3ihz h SER 57 N 8.16 0.00 -0.27 5.45 4.64 -1.48 -2.98 113.55 127.07 3ihz h SER 57 Ca -0.18 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 3ihz h SER 57 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3ihz h SER 57 CO 0.17 0.25 -0.06 0.03 -0.87 0.00 0.00 176.83 176.35 3ihz h ARG 58 N 0.00 0.52 -0.47 4.77 3.08 -1.87 -0.71 114.38 119.70 3ihz h ARG 58 Ca -0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3ihz h ARG 58 Cb 0.59 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3ihz h ARG 58 CO 0.03 0.72 0.30 1.49 -1.07 0.00 0.00 179.97 181.45 3ihz h GLU 59 N 0.28 0.63 -0.02 0.04 4.57 -1.88 -1.42 114.58 116.77 3ihz h GLU 59 Ca 0.07 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3ihz h GLU 59 Cb 0.53 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3ihz h GLU 59 CO 0.03 0.43 -0.09 2.89 -1.18 0.00 0.00 179.01 181.08 3ihz n ARG 60 N -4.45 1.86 -3.72 1.92 1.85 -1.16 -4.97 116.66 107.98 3ihz n ARG 60 Ca 0.04 -1.40 -0.26 0.00 -1.00 0.00 0.00 57.85 55.23 3ihz n ARG 60 Cb 0.06 -1.47 0.06 0.00 -1.05 0.00 0.00 32.46 30.06 3ihz n ARG 60 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3ihz n ASN 61 N 0.65 -5.29 -3.71 2.89 4.05 -0.33 -4.99 115.26 108.53 3ihz n ASN 61 Ca 0.15 -0.65 -0.30 0.00 0.45 0.00 0.00 54.58 54.23 3ihz n ASN 61 Cb 0.49 -4.55 -0.15 0.00 1.23 0.00 0.00 39.78 36.80 3ihz n ASN 61 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3ihz s VAL 62 N -3.33 0.76 0.70 3.44 1.01 -0.85 -5.04 120.40 117.09 3ihz s VAL 62 Ca 0.56 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 3ihz s VAL 62 Cb -0.26 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3ihz s VAL 62 CO 0.77 -0.68 0.97 -2.65 0.00 0.00 0.00 175.10 173.51 3ihz n PRO 63 N 4.90 0.60 -4.08 2.72 -0.02 -1.26 -4.78 135.00 133.07 3ihz n PRO 63 Ca -0.03 0.26 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 3ihz n PRO 63 Cb 0.42 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 3ihz n PRO 63 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3ihz s PHE 64 N -1.74 3.22 0.03 6.00 5.36 0.05 -4.93 117.98 125.98 3ihz s PHE 64 Ca 0.74 0.04 0.09 0.00 -0.96 0.00 0.00 56.93 56.84 3ihz s PHE 64 Cb -0.36 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 3ihz s PHE 64 CO 0.49 0.16 -0.25 0.15 -1.46 0.00 0.00 175.22 174.31 3ihz s LYS 65 N 0.25 1.79 0.18 10.12 1.02 -1.26 -0.87 119.74 130.95 3ihz s LYS 65 Ca 0.03 -1.05 -0.20 0.00 0.02 0.00 0.00 55.97 54.77 3ihz s LYS 65 Cb -0.13 -1.91 0.05 0.00 -0.52 0.00 0.00 37.83 35.32 3ihz s LYS 65 CO 0.01 0.50 0.56 -0.59 -0.92 0.00 0.00 175.35 174.91 3ihz s PHE 66 N -0.76 -0.34 -0.20 3.18 -0.12 -1.05 -4.99 117.98 113.69 3ihz s PHE 66 Ca 0.11 0.06 -0.24 0.00 -0.05 0.00 0.00 56.93 56.80 3ihz s PHE 66 Cb -0.10 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.76 3ihz s PHE 66 CO 0.01 -0.88 0.79 -1.01 -0.05 0.00 0.00 175.22 174.08 3ihz s HIS 67 N -3.81 3.38 0.25 3.49 3.76 -1.26 -0.81 115.29 120.29 3ihz s HIS 67 Ca 0.04 1.15 -0.30 0.00 -0.15 0.00 0.00 55.06 55.80 3ihz s HIS 67 Cb -0.01 -2.98 -0.10 0.00 1.11 0.00 0.00 32.58 30.60 3ihz s HIS 67 CO -0.08 -0.27 1.42 -1.17 -0.85 0.00 0.00 174.74 173.78 3ihz s LEU 68 N 2.31 4.39 -0.60 0.89 2.96 -0.04 -3.68 118.68 124.90 3ihz s LEU 68 Ca 0.35 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.92 3ihz s LEU 68 Cb -0.16 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.91 3ihz s LEU 68 CO 0.10 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 3ihz n GLY 69 N 2.08 0.55 0.04 7.98 0.00 -1.26 -0.72 105.19 113.86 3ihz n GLY 69 Ca 0.06 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.41 3ihz n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ihz n GLN 70 N -2.32 2.11 -1.32 1.61 6.02 -1.24 -4.84 117.38 117.40 3ihz n GLN 70 Ca -0.07 -1.97 -0.07 0.00 -0.01 0.00 0.00 57.00 54.89 3ihz n GLN 70 Cb 0.35 -1.21 -0.03 0.00 1.02 0.00 0.00 30.24 30.37 3ihz n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ihz n GLY 71 N -0.91 0.82 0.01 1.08 0.00 -1.26 -4.89 105.19 100.04 3ihz n GLY 71 Ca 0.07 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.52 3ihz n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ihz n GLU 72 N -2.66 0.21 -4.13 1.61 1.02 -1.26 -4.86 120.64 110.58 3ihz n GLU 72 Ca -0.07 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 56.95 3ihz n GLU 72 Cb 0.27 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 3ihz n GLU 72 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ihz s VAL 73 N -2.80 0.07 0.50 2.62 -7.23 -1.26 -5.05 120.40 107.24 3ihz s VAL 73 Ca 0.20 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.32 3ihz s VAL 73 Cb 0.19 -2.12 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 3ihz s VAL 73 CO 0.51 -0.32 1.01 2.30 -0.31 0.00 0.00 175.10 178.29 3ihz n ILE 74 N -0.16 2.93 -0.30 -0.62 -5.35 -1.26 -4.74 119.36 109.86 3ihz n ILE 74 Ca -0.04 -0.50 0.05 0.00 -0.27 0.00 0.00 62.75 61.99 3ihz n ILE 74 Cb 0.64 -1.20 0.26 0.00 -1.74 0.00 0.00 39.64 37.60 3ihz n ILE 74 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ihz h LYS 75 N 1.17 0.94 -0.54 6.28 1.63 -1.88 -1.17 116.57 123.01 3ihz h LYS 75 Ca -0.47 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 59.36 3ihz h LYS 75 Cb 1.34 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 3ihz h LYS 75 CO 0.55 0.62 0.36 0.78 -3.45 0.00 0.00 179.45 178.31 3ihz h GLY 76 N 0.97 0.52 0.83 5.01 0.00 -1.54 -1.86 103.07 107.01 3ihz h GLY 76 Ca 0.40 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 3ihz h GLY 76 CO -0.16 0.11 -0.20 1.49 0.00 0.00 0.00 176.54 177.78 3ihz h TRP 77 N 0.39 0.58 -0.62 5.60 4.06 -1.46 -0.26 115.95 124.24 3ihz h TRP 77 Ca 0.25 -0.17 0.03 0.00 2.06 0.00 0.00 58.89 61.05 3ihz h TRP 77 Cb 0.46 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.45 3ihz h TRP 77 CO -0.00 0.84 0.38 -0.44 -3.56 0.00 0.00 178.44 175.66 3ihz h ASP 78 N 0.16 0.62 -0.05 -3.49 3.32 -1.29 -0.31 116.42 115.38 3ihz h ASP 78 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ihz h ASP 78 Cb 0.74 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3ihz h ASP 78 CO 0.05 0.43 0.02 0.40 -1.72 0.00 0.00 179.24 178.42 3ihz h ILE 79 N 0.75 1.16 0.05 0.35 2.04 -1.35 -2.58 117.51 117.93 3ihz h ILE 79 Ca 0.25 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3ihz h ILE 79 Cb 0.03 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3ihz h ILE 79 CO -0.11 0.13 -0.02 0.00 0.00 0.00 0.00 178.15 178.15 3ihz h VAL 81 N -0.17 1.21 0.00 0.00 2.07 -1.10 -1.28 116.25 116.98 3ihz h VAL 81 Ca -0.01 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3ihz h VAL 81 Cb 0.15 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3ihz h VAL 81 CO 0.01 0.39 -0.01 0.00 0.02 0.00 0.00 177.57 177.98 3ihz h ALA 82 N 1.60 1.56 -0.01 1.67 0.00 -1.45 -1.94 119.26 120.69 3ihz h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ihz h ALA 82 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ihz h ALA 82 CO 0.05 0.02 -0.02 -1.13 0.00 0.00 0.00 179.25 178.17 3ihz n SER 83 N -3.92 1.31 -4.98 0.00 3.41 -0.48 -4.88 113.62 104.08 3ihz n SER 83 Ca -0.03 -1.40 -0.20 0.00 -0.26 0.00 0.00 58.87 56.99 3ihz n SER 83 Cb 0.10 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 3ihz n SER 83 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3ihz s MET 84 N -2.04 3.25 0.25 4.33 -1.94 -0.73 -5.13 119.30 117.30 3ihz s MET 84 Ca 0.38 -0.89 0.09 0.00 -1.71 0.00 0.00 55.69 53.56 3ihz s MET 84 Cb 0.21 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 34.16 3ihz s MET 84 CO 0.35 0.21 -0.14 0.95 -0.01 0.00 0.00 175.02 176.38 3ihz s THR 85 N -2.10 1.99 0.09 2.05 -4.23 -1.26 -4.27 115.64 107.91 3ihz s THR 85 Ca 0.40 -2.26 -0.36 0.00 -1.18 0.00 0.00 61.69 58.29 3ihz s THR 85 Cb -0.09 -2.24 -0.18 0.00 1.34 0.00 0.00 72.50 71.33 3ihz s THR 85 CO 0.30 -0.45 1.14 1.17 -0.54 0.00 0.00 174.62 176.24 3ihz n LYS 86 N -0.52 0.68 -0.57 3.99 4.81 1.05 -1.23 118.16 126.36 3ihz n LYS 86 Ca -0.06 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 3ihz n LYS 86 Cb 0.61 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.91 3ihz n LYS 86 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3ihz n ASN 87 N 2.02 0.00 -4.78 3.14 5.15 0.97 -0.43 115.26 121.32 3ihz n ASN 87 Ca 0.18 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.75 3ihz n ASN 87 Cb 0.17 -0.55 -0.00 0.00 -0.53 0.00 0.00 39.78 38.87 3ihz n ASN 87 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3ihz s GLU 88 N -0.17 4.14 -0.11 1.20 2.12 -0.37 -4.58 118.70 120.95 3ihz s GLU 88 Ca 0.00 2.52 0.02 0.00 0.36 0.00 0.00 54.97 57.88 3ihz s GLU 88 Cb 0.00 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.42 3ihz s GLU 88 CO 0.00 -0.49 -0.19 0.21 -0.54 0.00 0.00 175.26 174.26 3ihz s LYS 89 N -2.01 2.55 0.25 4.30 2.20 -0.65 -1.64 119.74 124.75 3ihz s LYS 89 Ca 0.52 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 55.46 3ihz s LYS 89 Cb -0.46 -2.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.74 3ihz s LYS 89 CO 0.61 0.01 0.06 0.00 -0.36 0.00 0.00 175.35 175.67 3ihz s SER 91 N -3.32 3.46 -0.13 0.00 0.15 0.16 -1.17 113.70 112.85 3ihz s SER 91 Ca 0.35 -0.93 -0.03 0.00 0.70 0.00 0.00 55.95 56.04 3ihz s SER 91 Cb 0.07 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.14 3ihz s SER 91 CO 0.12 -0.16 -0.03 0.54 1.20 0.00 0.00 173.24 174.91 3ihz s VAL 92 N 1.40 3.98 -0.28 4.45 0.11 0.33 -0.41 120.40 129.98 3ihz s VAL 92 Ca -0.02 -0.34 -0.12 0.00 -2.93 0.00 0.00 61.98 58.56 3ihz s VAL 92 Cb -0.17 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.93 3ihz s VAL 92 CO -0.08 0.53 0.25 -0.60 -3.33 0.00 0.00 175.10 171.87 3ihz s ARG 93 N -0.08 3.94 -0.21 1.54 3.52 -0.21 -1.01 118.95 126.44 3ihz s ARG 93 Ca 0.02 -0.23 -0.03 0.00 -0.13 0.00 0.00 55.73 55.36 3ihz s ARG 93 Cb -0.13 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 3ihz s ARG 93 CO 0.02 -0.23 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.72 3ihz s LEU 94 N 1.85 2.84 0.73 -0.88 1.43 0.55 -1.87 118.68 123.33 3ihz s LEU 94 Ca 0.09 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 3ihz s LEU 94 Cb -0.16 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3ihz s LEU 94 CO 0.11 -0.01 1.03 -0.67 0.23 0.00 0.00 176.35 177.04 3ihz n ASP 95 N 4.71 0.70 0.17 2.29 2.03 -0.03 -1.15 116.55 125.27 3ihz n ASP 95 Ca -0.18 0.66 0.15 0.00 0.52 0.00 0.00 54.79 55.94 3ihz n ASP 95 Cb 0.51 -1.44 0.75 0.00 -0.72 0.00 0.00 41.12 40.22 3ihz n ASP 95 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3ihz h SER 96 N -0.30 0.00 0.64 1.67 4.64 -1.89 -0.25 113.55 118.05 3ihz h SER 96 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ihz h SER 96 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3ihz h SER 96 CO 0.47 0.00 0.00 0.07 -0.87 0.00 0.00 176.83 176.50 3ihz h LYS 97 N 0.00 0.00 -0.33 4.77 2.10 -1.89 0.15 116.57 121.37 3ihz h LYS 97 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3ihz h LYS 97 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 3ihz h LYS 97 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3ihz n TYR 98 N -2.64 0.41 0.00 0.07 4.02 -0.11 -4.82 117.16 114.09 3ihz n TYR 98 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 3ihz n TYR 98 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 3ihz n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ihz n GLY 99 N 1.47 2.17 0.98 2.72 0.00 -0.32 -1.33 105.19 110.88 3ihz n GLY 99 Ca 0.19 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3ihz n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ihz n TYR 100 N 0.00 0.65 -3.82 1.61 4.01 -1.16 -4.82 117.16 113.63 3ihz n TYR 100 Ca 0.00 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 3ihz n TYR 100 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3ihz n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ihz n GLY 101 N 1.09 1.10 0.27 2.72 0.00 0.38 -1.61 105.19 109.14 3ihz n GLY 101 Ca 0.17 -0.58 0.16 0.00 0.00 0.00 0.00 46.02 45.77 3ihz n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ihz h GLU 102 N 0.00 0.00 -0.07 1.61 5.08 -1.92 0.29 114.58 119.58 3ihz h GLU 102 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3ihz h GLU 102 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ihz h GLU 102 CO 0.00 0.05 -0.81 0.93 -1.00 0.00 0.00 179.01 178.18 3ihz h GLU 103 N 0.00 0.49 0.00 2.33 3.07 -1.86 -3.36 114.58 115.25 3ihz h GLU 103 Ca -0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3ihz h GLU 103 Cb 0.51 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3ihz h GLU 103 CO 0.01 1.08 0.00 0.41 -1.40 0.00 0.00 179.01 179.10 3ihz n GLY 104 N 0.72 -0.15 3.01 -3.84 0.00 -0.64 -4.11 105.19 100.18 3ihz n GLY 104 Ca -0.06 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 3ihz n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihz n GLY 106 N 5.38 -0.77 0.19 0.00 0.00 -1.26 -2.61 105.19 106.12 3ihz n GLY 106 Ca -0.04 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.93 3ihz n GLY 106 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ihz h GLU 107 N 0.00 0.00 0.00 1.61 9.09 -2.01 -3.31 114.58 119.96 3ihz h GLU 107 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 3ihz h GLU 107 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3ihz h GLU 107 CO 0.00 0.38 -0.81 0.77 0.05 0.00 0.00 179.01 179.40 3ihz h SER 108 N 0.00 0.00 -3.74 3.06 0.02 -1.99 -3.43 113.55 107.47 3ihz h SER 108 Ca -0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.29 3ihz h SER 108 Cb 0.72 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.86 3ihz h SER 108 CO 0.05 0.26 -0.71 -0.63 -1.14 0.00 0.00 176.83 174.65 3ihz s ILE 109 N -3.13 2.24 0.84 3.27 1.01 -1.07 -4.98 121.20 119.37 3ihz s ILE 109 Ca 0.01 -2.42 -0.11 0.00 0.00 0.00 0.00 60.65 58.13 3ihz s ILE 109 Cb 0.08 -2.64 0.10 0.00 0.01 0.00 0.00 42.46 40.01 3ihz s ILE 109 CO 0.76 -0.63 1.14 -2.84 0.00 0.00 0.00 174.94 173.38 3ihz s PRO 110 N 0.79 1.53 0.49 2.79 0.02 -1.26 -0.48 135.00 138.89 3ihz s PRO 110 Ca 0.12 1.50 -0.21 0.00 0.02 0.00 0.00 61.00 62.42 3ihz s PRO 110 Cb -0.20 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 3ihz s PRO 110 CO -0.08 -2.24 0.82 0.41 -0.33 0.00 0.00 177.00 175.58 3ihz n GLY 111 N -0.10 -0.72 2.93 0.52 0.00 -1.26 -3.28 105.19 103.29 3ihz n GLY 111 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3ihz n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ihz n ASN 112 N 0.33 -5.63 -4.72 1.61 3.02 0.10 -4.87 115.26 105.11 3ihz n ASN 112 Ca 0.11 -0.29 -0.37 0.00 -0.03 0.00 0.00 54.58 54.00 3ihz n ASN 112 Cb 0.43 -4.42 -0.06 0.00 -0.61 0.00 0.00 39.78 35.11 3ihz n ASN 112 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ihz s SER 113 N -2.83 6.57 0.12 6.41 0.01 -1.20 -4.87 113.70 117.90 3ihz s SER 113 Ca 0.31 0.67 -0.30 0.00 1.31 0.00 0.00 55.95 57.94 3ihz s SER 113 Cb -0.14 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 3ihz s SER 113 CO 0.38 0.04 1.17 -0.69 0.41 0.00 0.00 173.24 174.54 3ihz s VAL 114 N 0.60 3.88 -0.04 3.43 1.01 -1.26 -3.56 120.40 124.46 3ihz s VAL 114 Ca 0.22 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.68 3ihz s VAL 114 Cb -0.14 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3ihz s VAL 114 CO 0.07 0.18 -0.06 -0.76 0.00 0.00 0.00 175.10 174.54 3ihz s LEU 115 N 0.35 3.21 -0.18 3.92 1.43 -0.30 -1.74 118.68 125.36 3ihz s LEU 115 Ca 0.55 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.59 3ihz s LEU 115 Cb -0.30 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3ihz s LEU 115 CO 0.33 0.33 -0.14 -0.63 0.23 0.00 0.00 176.35 176.46 3ihz s ILE 116 N -0.89 2.57 -0.14 -0.59 1.01 0.30 -0.33 121.20 123.13 3ihz s ILE 116 Ca 0.14 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3ihz s ILE 116 Cb -0.11 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.25 3ihz s ILE 116 CO 0.04 0.50 -0.18 -0.36 0.00 0.00 0.00 174.94 174.94 3ihz s PHE 117 N 1.21 2.73 -0.22 3.97 0.08 -0.18 -0.52 117.98 125.05 3ihz s PHE 117 Ca 0.02 -1.10 -0.26 0.00 0.12 0.00 0.00 56.93 55.71 3ihz s PHE 117 Cb -0.14 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.46 3ihz s PHE 117 CO -0.07 -0.49 0.91 -2.00 -0.10 0.00 0.00 175.22 173.47 3ihz s GLU 118 N 0.73 4.23 -0.05 0.44 2.12 0.15 -0.51 118.70 125.81 3ihz s GLU 118 Ca -0.08 1.11 0.04 0.00 0.36 0.00 0.00 54.97 56.40 3ihz s GLU 118 Cb -0.16 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.60 3ihz s GLU 118 CO 0.01 -0.53 -0.16 0.42 -0.54 0.00 0.00 175.26 174.46 3ihz s ILE 119 N 2.85 1.36 -0.17 -3.70 1.01 -0.31 -0.91 121.20 121.32 3ihz s ILE 119 Ca 0.39 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3ihz s ILE 119 Cb -0.15 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.15 3ihz s ILE 119 CO 0.08 0.40 -0.19 -0.70 0.00 0.00 0.00 174.94 174.52 3ihz s GLU 120 N 0.16 2.87 -0.55 2.79 2.12 0.01 -1.19 118.70 124.92 3ihz s GLU 120 Ca -0.06 -0.78 -0.25 0.00 0.36 0.00 0.00 54.97 54.23 3ihz s GLU 120 Cb -0.12 -2.48 0.04 0.00 0.26 0.00 0.00 34.13 31.82 3ihz s GLU 120 CO 0.03 -0.20 1.01 -1.17 -0.54 0.00 0.00 175.26 174.39 3ihz s LEU 121 N 1.30 3.90 -0.08 2.70 2.96 -0.65 -1.76 118.68 127.04 3ihz s LEU 121 Ca 0.04 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.60 3ihz s LEU 121 Cb -0.13 -2.97 -0.29 0.00 0.50 0.00 0.00 46.19 43.30 3ihz s LEU 121 CO -0.12 -1.28 0.69 0.40 -1.32 0.00 0.00 176.35 174.72 3ihz h ILE 122 N 6.07 1.25 -2.05 6.68 2.04 -1.20 0.28 117.51 130.57 3ihz h ILE 122 Ca -0.26 -2.45 0.23 0.00 1.00 0.00 0.00 64.86 63.38 3ihz h ILE 122 Cb 1.07 2.92 -0.09 0.00 -0.74 0.00 0.00 36.82 39.97 3ihz h ILE 122 CO 1.11 0.69 0.59 -0.94 0.00 0.00 0.00 178.15 179.61 3ihz s SER 123 N -6.98 -0.14 0.20 1.72 1.04 -1.13 -4.51 113.70 103.90 3ihz s SER 123 Ca -0.18 -0.32 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 3ihz s SER 123 Cb 0.03 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3ihz s SER 123 CO 0.78 -0.71 0.44 0.72 0.98 0.00 0.00 173.24 175.45 3ihz s PHE 124 N -3.01 0.15 0.30 5.02 -0.71 -1.26 -0.21 117.98 118.25 3ihz s PHE 124 Ca 0.13 -0.50 -0.14 0.00 -1.04 0.00 0.00 56.93 55.37 3ihz s PHE 124 Cb 0.01 0.21 0.02 0.00 -1.21 0.00 0.00 43.02 42.04 3ihz s PHE 124 CO 0.00 -0.87 0.61 -0.98 -1.34 0.00 0.00 175.22 172.64 3ihz s ARG 125 N -3.93 1.80 0.00 1.99 3.03 0.61 -4.99 118.95 117.46 3ihz s ARG 125 Ca 0.14 -1.29 0.13 0.00 2.03 0.00 0.00 55.73 56.75 3ihz s ARG 125 Cb 0.00 0.54 0.77 0.00 -1.03 0.00 0.00 34.95 35.23 3ihz s ARG 125 CO 0.01 -0.79 1.20 0.39 -1.13 0.00 0.00 175.30 174.97