#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2il4 s LYS 7 N 0.00 3.33 -0.12 0.54 1.02 -1.26 -5.00 119.74 118.25 2il4 s LYS 7 Ca 0.00 1.35 -0.03 0.00 0.02 0.00 0.00 55.97 57.31 2il4 s LYS 7 Cb 0.00 -4.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.09 2il4 s LYS 7 CO 0.00 -1.87 -0.01 0.42 -0.92 0.00 0.00 175.35 172.98 2il4 s ILE 8 N 6.84 4.20 0.24 2.17 1.01 -1.26 -2.75 121.20 131.65 2il4 s ILE 8 Ca 0.77 -0.27 0.10 0.00 0.00 0.00 0.00 60.65 61.25 2il4 s ILE 8 Cb -0.21 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2il4 s ILE 8 CO 0.33 0.55 -0.17 0.68 0.00 0.00 0.00 174.94 176.34 2il4 s VAL 9 N -0.34 2.08 -0.39 2.92 -7.23 0.13 -4.90 120.40 112.67 2il4 s VAL 9 Ca 0.07 -2.30 -0.14 0.00 -1.81 0.00 0.00 61.98 57.80 2il4 s VAL 9 Cb -0.12 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.65 2il4 s VAL 9 CO 0.02 -0.49 0.27 0.86 -0.31 0.00 0.00 175.10 175.45 2il4 s TRP 10 N -2.76 3.24 -0.72 2.82 -0.00 -1.26 -0.56 118.94 119.70 2il4 s TRP 10 Ca 0.26 -0.61 -0.13 0.00 -0.00 0.00 0.00 56.10 55.62 2il4 s TRP 10 Cb -0.02 -2.54 0.19 0.00 -0.00 0.00 0.00 33.47 31.09 2il4 s TRP 10 CO 0.11 -0.57 0.65 1.21 -0.00 0.00 0.00 176.95 178.35 2il4 s ASN 11 N 1.66 6.41 0.31 5.86 3.84 0.26 -4.93 114.94 128.35 2il4 s ASN 11 Ca 0.05 -2.47 0.01 0.00 0.21 0.00 0.00 52.86 50.66 2il4 s ASN 11 Cb -0.19 -2.16 0.52 0.00 -0.55 0.00 0.00 41.25 38.87 2il4 s ASN 11 CO 0.09 -0.62 1.90 -0.33 -2.79 0.00 0.00 177.10 175.35 2il4 h GLU 12 N 7.97 0.78 -0.17 0.43 5.08 -1.96 -0.81 114.58 125.90 2il4 h GLU 12 Ca -0.01 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2il4 h GLU 12 Cb 1.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2il4 h GLU 12 CO 0.82 0.64 -0.20 0.78 -1.00 0.00 0.00 179.01 180.05 2il4 h GLY 13 N 0.90 0.31 -2.14 -3.84 0.00 -1.94 -1.75 103.07 94.61 2il4 h GLY 13 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2il4 h GLY 13 CO -0.02 0.20 0.00 0.28 0.00 0.00 0.00 176.54 177.00 2il4 n LYS 14 N -4.20 2.42 -3.84 4.80 5.02 -1.14 -4.99 118.16 116.23 2il4 n LYS 14 Ca -0.01 -2.14 -0.24 0.00 -2.02 0.00 0.00 58.31 53.90 2il4 n LYS 14 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2il4 n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2il4 n ARG 15 N 1.37 -3.73 -3.97 1.97 1.74 -0.53 -4.84 116.66 108.67 2il4 n ARG 15 Ca 0.19 0.49 -0.08 0.00 -0.77 0.00 0.00 57.85 57.67 2il4 n ARG 15 Cb 0.58 -4.74 -0.09 0.00 -1.02 0.00 0.00 32.46 27.19 2il4 n ARG 15 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2il4 s ARG 16 N -6.30 0.63 -0.18 5.56 1.70 -0.43 -1.26 118.95 118.67 2il4 s ARG 16 Ca 0.03 -0.94 -0.08 0.00 -0.47 0.00 0.00 55.73 54.27 2il4 s ARG 16 Cb -0.01 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2il4 s ARG 16 CO 0.86 -0.15 0.08 -0.06 -1.08 0.00 0.00 175.30 174.95 2il4 s PHE 17 N -3.22 3.31 0.10 5.89 0.40 -0.33 -0.57 117.98 123.56 2il4 s PHE 17 Ca 0.00 0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.44 2il4 s PHE 17 Cb 0.03 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 2il4 s PHE 17 CO -0.07 0.24 0.15 -1.83 0.70 0.00 0.00 175.22 174.40 2il4 s GLU 18 N 0.25 0.85 0.80 0.44 -1.05 0.27 -1.41 118.70 118.84 2il4 s GLU 18 Ca 0.05 -1.08 -0.13 0.00 -0.15 0.00 0.00 54.97 53.66 2il4 s GLU 18 Cb -0.12 0.31 0.08 0.00 -0.44 0.00 0.00 34.13 33.96 2il4 s GLU 18 CO -0.00 -0.26 1.19 0.95 0.95 0.00 0.00 175.26 178.09 2il4 s THR 19 N -3.90 2.20 0.56 1.83 -4.23 -0.53 0.21 115.64 111.78 2il4 s THR 19 Ca 0.09 0.09 0.23 0.00 -1.18 0.00 0.00 61.69 60.92 2il4 s THR 19 Cb 0.05 -2.48 0.32 0.00 1.34 0.00 0.00 72.50 71.73 2il4 s THR 19 CO -0.08 -0.07 2.17 -0.33 -0.54 0.00 0.00 174.62 175.78 2il4 h GLU 20 N -0.87 0.00 -0.02 3.99 5.08 -1.88 -1.01 114.58 119.86 2il4 h GLU 20 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2il4 h GLU 20 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2il4 h GLU 20 CO 0.47 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.08 2il4 n ASP 21 N -4.17 0.23 0.00 1.42 5.68 -1.26 -4.89 116.55 113.56 2il4 n ASP 21 Ca -0.01 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 2il4 n ASP 21 Cb 0.16 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2il4 n ASP 21 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2il4 n HIS 22 N -0.64 0.00 0.05 2.11 8.25 -0.38 -4.90 115.22 119.71 2il4 n HIS 22 Ca 0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2il4 n HIS 22 Cb 0.10 -1.46 -0.12 0.00 1.12 0.00 0.00 29.99 29.64 2il4 n HIS 22 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2il4 h GLU 23 N 0.33 0.00 -6.42 -0.41 5.08 -1.91 -3.45 114.58 107.80 2il4 h GLU 23 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 2il4 h GLU 23 Cb 0.59 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.53 2il4 h GLU 23 CO 0.00 0.90 -0.89 0.00 -1.00 0.00 0.00 179.01 178.02 2il4 s ALA 24 N -2.71 2.11 0.15 3.43 0.00 -1.26 -4.40 121.76 119.09 2il4 s ALA 24 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 2il4 s ALA 24 Cb 0.10 -0.56 0.07 0.00 0.00 0.00 0.00 23.12 22.72 2il4 s ALA 24 CO 0.82 0.49 0.59 -0.59 0.00 0.00 0.00 175.76 177.07 2il4 s PHE 25 N -0.50 -0.53 -0.11 0.00 -0.12 -0.36 -1.45 117.98 114.91 2il4 s PHE 25 Ca 0.07 0.33 0.01 0.00 -0.05 0.00 0.00 56.93 57.29 2il4 s PHE 25 Cb -0.11 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 42.84 2il4 s PHE 25 CO -0.00 -0.84 -0.14 -1.50 -0.05 0.00 0.00 175.22 172.70 2il4 s ILE 26 N -3.68 1.39 -0.02 -4.49 2.07 -0.50 -0.94 121.20 115.02 2il4 s ILE 26 Ca 0.01 -0.57 -0.02 0.00 -1.41 0.00 0.00 60.65 58.66 2il4 s ILE 26 Cb -0.01 -1.29 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 2il4 s ILE 26 CO -0.12 0.42 0.11 -0.70 -1.91 0.00 0.00 174.94 172.74 2il4 s GLU 27 N 1.08 3.21 0.25 3.50 2.12 0.37 -1.18 118.70 128.05 2il4 s GLU 27 Ca -0.05 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 54.92 2il4 s GLU 27 Cb -0.15 -2.96 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 2il4 s GLU 27 CO -0.03 0.67 0.00 1.52 -0.54 0.00 0.00 175.26 176.89 2il4 s TYR 28 N -1.20 1.67 -0.04 5.30 -0.85 -0.39 -1.01 117.35 120.83 2il4 s TYR 28 Ca 0.23 -0.91 0.04 0.00 -0.52 0.00 0.00 57.07 55.90 2il4 s TYR 28 Cb -0.12 -0.99 -0.00 0.00 0.38 0.00 0.00 41.96 41.23 2il4 s TYR 28 CO 0.14 -0.01 -0.15 0.21 -1.52 0.00 0.00 175.55 174.22 2il4 s LYS 29 N -3.86 1.56 0.08 -3.49 2.20 0.00 -4.85 119.74 111.39 2il4 s LYS 29 Ca 0.30 -0.51 -0.22 0.00 -0.36 0.00 0.00 55.97 55.18 2il4 s LYS 29 Cb 0.06 -1.36 -0.07 0.00 -1.51 0.00 0.00 37.83 34.95 2il4 s LYS 29 CO 0.10 0.19 0.67 -1.64 -0.36 0.00 0.00 175.35 174.31 2il4 s MET 30 N 0.13 4.38 0.21 4.03 -1.94 -1.26 -0.88 119.30 123.97 2il4 s MET 30 Ca -0.05 0.92 0.02 0.00 -1.71 0.00 0.00 55.69 54.87 2il4 s MET 30 Cb -0.11 -3.28 -0.05 0.00 2.01 0.00 0.00 34.83 33.40 2il4 s MET 30 CO 0.02 0.52 0.03 1.03 -0.01 0.00 0.00 175.02 176.60 2il4 s ARG 31 N -0.80 1.24 -1.08 2.03 0.52 0.56 -4.82 118.95 116.60 2il4 s ARG 31 Ca 0.33 -1.63 -0.16 0.00 -0.52 0.00 0.00 55.73 53.75 2il4 s ARG 31 Cb -0.21 -0.34 -0.02 0.00 0.52 0.00 0.00 34.95 34.90 2il4 s ARG 31 CO 0.22 -0.17 0.81 -1.71 0.02 0.00 0.00 175.30 174.47 2il4 n ASN 32 N -0.34 -5.77 -4.10 0.23 5.15 -1.26 -1.73 115.26 107.44 2il4 n ASN 32 Ca -0.04 -0.89 -0.32 0.00 -0.60 0.00 0.00 54.58 52.72 2il4 n ASN 32 Cb 0.64 -3.82 -0.04 0.00 -0.53 0.00 0.00 39.78 36.03 2il4 n ASN 32 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2il4 n ASN 33 N -2.73 -0.91 -0.08 1.20 4.13 -1.26 -1.43 115.26 114.17 2il4 n ASN 33 Ca -0.09 -1.17 -0.01 0.00 1.68 0.00 0.00 54.58 54.99 2il4 n ASN 33 Cb 0.59 -2.25 -0.00 0.00 -1.54 0.00 0.00 39.78 36.58 2il4 n ASN 33 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2il4 n GLY 34 N -2.22 0.47 0.03 7.41 0.00 -1.10 -4.92 105.19 104.86 2il4 n GLY 34 Ca -0.26 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.68 2il4 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2il4 n LYS 35 N -2.25 0.24 -4.00 1.61 5.02 -0.52 -4.89 118.16 113.36 2il4 n LYS 35 Ca -0.01 0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2il4 n LYS 35 Cb 0.13 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 33.39 2il4 n LYS 35 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2il4 s VAL 36 N -3.16 0.27 -0.30 -0.18 1.01 -0.71 -2.24 120.40 115.10 2il4 s VAL 36 Ca 0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 2il4 s VAL 36 Cb 0.15 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.22 2il4 s VAL 36 CO 0.78 0.15 0.07 -0.32 0.00 0.00 0.00 175.10 175.78 2il4 s MET 37 N 0.78 3.05 -0.44 2.72 1.75 0.40 -0.33 119.30 127.23 2il4 s MET 37 Ca -0.08 -0.89 -0.23 0.00 -1.25 0.00 0.00 55.69 53.24 2il4 s MET 37 Cb -0.12 -3.36 0.02 0.00 2.84 0.00 0.00 34.83 34.22 2il4 s MET 37 CO -0.01 -0.46 0.76 0.34 -0.65 0.00 0.00 175.02 175.00 2il4 s ASP 38 N 1.48 6.40 -0.55 1.11 -1.08 -0.06 -1.16 116.67 122.81 2il4 s ASP 38 Ca 0.02 -0.13 -0.27 0.00 -0.52 0.00 0.00 52.55 51.65 2il4 s ASP 38 Cb -0.17 -2.37 0.03 0.00 -1.46 0.00 0.00 42.92 38.95 2il4 s ASP 38 CO 0.02 -0.88 1.11 -0.76 0.52 0.00 0.00 175.17 175.18 2il4 s LEU 39 N 3.19 3.66 -0.12 -1.34 1.43 0.25 -0.82 118.68 124.93 2il4 s LEU 39 Ca 0.28 0.05 0.17 0.00 -1.03 0.00 0.00 54.13 53.60 2il4 s LEU 39 Cb -0.13 -3.14 -0.25 0.00 0.03 0.00 0.00 46.19 42.71 2il4 s LEU 39 CO 0.22 -1.37 0.19 1.33 0.23 0.00 0.00 176.35 176.95 2il4 n VAL 40 N 6.57 0.80 -3.65 -1.59 0.24 -0.18 -0.12 118.33 120.39 2il4 n VAL 40 Ca 0.07 -0.65 -0.07 0.00 -2.04 0.00 0.00 64.34 61.65 2il4 n VAL 40 Cb 0.49 -0.31 -0.08 0.00 -1.47 0.00 0.00 33.84 32.47 2il4 n VAL 40 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2il4 s HIS 41 N -2.77 -1.00 -0.04 6.34 5.65 -1.20 -4.13 115.29 118.14 2il4 s HIS 41 Ca -0.08 1.97 0.05 0.00 0.25 0.00 0.00 55.06 57.24 2il4 s HIS 41 Cb 0.08 0.57 -0.02 0.00 -1.18 0.00 0.00 32.58 32.03 2il4 s HIS 41 CO 0.77 -0.51 -0.18 0.99 -0.65 0.00 0.00 174.74 175.16 2il4 s THR 42 N 1.79 2.76 -0.05 0.89 2.01 -1.26 -0.48 115.64 121.30 2il4 s THR 42 Ca -0.09 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 2il4 s THR 42 Cb -0.07 -2.05 0.04 0.00 0.01 0.00 0.00 72.50 70.43 2il4 s THR 42 CO -0.18 0.59 0.09 -0.47 -0.69 0.00 0.00 174.62 173.96 2il4 s TYR 43 N -0.66 -0.07 -0.06 4.92 5.04 -0.12 -5.01 117.35 121.40 2il4 s TYR 43 Ca 0.10 0.34 0.05 0.00 -2.44 0.00 0.00 57.07 55.12 2il4 s TYR 43 Cb -0.11 -0.20 -0.00 0.00 0.35 0.00 0.00 41.96 42.00 2il4 s TYR 43 CO 0.00 -0.15 -0.21 0.08 -1.34 0.00 0.00 175.55 173.93 2il4 s VAL 44 N 1.34 1.74 0.62 3.14 1.01 -1.26 -1.23 120.40 125.76 2il4 s VAL 44 Ca -0.07 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2il4 s VAL 44 Cb -0.12 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2il4 s VAL 44 CO -0.05 0.49 1.08 -2.16 0.00 0.00 0.00 175.10 174.46 2il4 s PRO 45 N 0.04 3.12 0.38 2.72 0.04 -1.26 -4.85 135.00 135.18 2il4 s PRO 45 Ca -0.06 1.27 0.13 0.00 0.04 0.00 0.00 61.00 62.37 2il4 s PRO 45 Cb -0.14 -2.00 0.94 0.00 0.04 0.00 0.00 34.50 33.34 2il4 s PRO 45 CO 0.04 -0.98 1.86 0.66 0.04 0.00 0.00 177.00 178.61 2il4 h SER 46 N 0.26 0.54 1.35 6.66 4.64 -1.99 -1.73 113.55 123.29 2il4 h SER 46 Ca -0.47 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2il4 h SER 46 Cb 1.23 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2il4 h SER 46 CO 0.56 0.24 0.00 2.19 -0.87 0.00 0.00 176.83 178.95 2il4 h PHE 47 N 0.56 0.00 -0.27 4.77 -0.00 -2.05 -3.14 116.94 116.80 2il4 h PHE 47 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.44 2il4 h PHE 47 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.89 2il4 h PHE 47 CO -0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.31 179.94 2il4 n LYS 48 N -2.89 2.16 -1.85 6.09 5.02 -0.66 -5.04 118.16 120.98 2il4 n LYS 48 Ca 0.02 -1.84 -0.31 0.00 -2.02 0.00 0.00 58.31 54.16 2il4 n LYS 48 Cb 0.38 -1.29 0.03 0.00 -0.02 0.00 0.00 35.03 34.13 2il4 n LYS 48 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2il4 s ARG 49 N -1.02 3.29 -0.16 1.97 0.52 -1.17 -4.13 118.95 118.25 2il4 s ARG 49 Ca 0.23 0.67 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 2il4 s ARG 49 Cb 0.13 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.55 2il4 s ARG 49 CO 0.17 -0.77 0.00 0.41 0.02 0.00 0.00 175.30 175.13 2il4 n GLY 50 N -2.78 0.41 0.52 -3.53 0.00 -1.26 -4.85 105.19 93.70 2il4 n GLY 50 Ca 0.06 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.03 2il4 n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2il4 n LEU 51 N -0.17 2.66 0.00 0.99 4.77 -1.26 -4.99 117.00 119.00 2il4 n LEU 51 Ca -0.02 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 2il4 n LEU 51 Cb 0.24 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2il4 n LEU 51 CO 0.02 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2il4 n GLY 52 N 0.38 0.74 0.25 -0.72 0.00 -1.26 -4.97 105.19 99.61 2il4 n GLY 52 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 2il4 n GLY 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2il4 h LEU 53 N 0.00 0.75 -1.14 0.99 5.85 -1.94 -1.66 115.31 118.15 2il4 h LEU 53 Ca 0.00 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 2il4 h LEU 53 Cb 0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2il4 h LEU 53 CO 0.00 0.67 -0.03 0.00 -0.34 0.00 0.00 178.44 178.74 2il4 h ALA 54 N 1.11 1.29 -0.40 1.25 0.00 -1.93 -1.27 119.26 119.31 2il4 h ALA 54 Ca 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2il4 h ALA 54 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2il4 h ALA 54 CO -0.02 0.48 0.23 1.03 0.00 0.00 0.00 179.25 180.96 2il4 h SER 55 N 0.53 0.49 -0.45 0.00 0.87 -1.87 -1.21 113.55 111.92 2il4 h SER 55 Ca 0.11 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2il4 h SER 55 Cb 0.39 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2il4 h SER 55 CO 0.02 0.42 0.14 0.45 -0.53 0.00 0.00 176.83 177.32 2il4 h HIS 56 N 0.53 0.79 -0.19 2.24 -0.00 -0.63 -0.43 115.15 117.44 2il4 h HIS 56 Ca 0.14 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2il4 h HIS 56 Cb 0.03 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 2il4 h HIS 56 CO -0.03 0.66 0.11 -0.07 -0.00 0.00 0.00 177.93 178.60 2il4 h LEU 57 N 0.75 0.24 -0.49 2.43 3.38 -0.91 -1.52 115.31 119.19 2il4 h LEU 57 Ca 0.17 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2il4 h LEU 57 Cb 0.26 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2il4 h LEU 57 CO -0.00 0.23 0.22 0.00 0.09 0.00 0.00 178.44 178.98 2il4 h VAL 59 N 0.44 1.17 -0.54 0.00 2.07 -0.83 -0.22 116.25 118.33 2il4 h VAL 59 Ca 0.22 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2il4 h VAL 59 Cb 0.17 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 2il4 h VAL 59 CO -0.18 0.23 0.27 0.00 0.02 0.00 0.00 177.57 177.90 2il4 h ALA 60 N 1.40 0.70 -0.28 1.67 0.00 -0.87 0.27 119.26 122.15 2il4 h ALA 60 Ca 0.39 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2il4 h ALA 60 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2il4 h ALA 60 CO -0.12 0.25 -0.22 0.00 0.00 0.00 0.00 179.25 179.15 2il4 h ALA 61 N 1.10 0.40 -0.76 0.00 0.00 -0.52 -2.02 119.26 117.46 2il4 h ALA 61 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2il4 h ALA 61 Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2il4 h ALA 61 CO -0.02 0.36 0.48 0.74 0.00 0.00 0.00 179.25 180.81 2il4 h PHE 62 N 0.37 0.97 -0.34 0.00 -1.00 -0.82 -0.62 116.94 115.49 2il4 h PHE 62 Ca 0.05 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 2il4 h PHE 62 Cb 0.78 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 2il4 h PHE 62 CO 0.07 0.63 0.10 0.93 -1.61 0.00 0.00 178.31 178.43 2il4 h GLU 63 N 1.03 0.54 -0.02 1.51 4.39 -0.89 0.17 114.58 121.30 2il4 h GLU 63 Ca 0.27 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.89 2il4 h GLU 63 Cb -0.09 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.44 2il4 h GLU 63 CO -0.06 0.57 -0.30 1.25 -1.16 0.00 0.00 179.01 179.32 2il4 h HIS 64 N 0.40 -0.82 0.10 4.33 2.76 -1.20 0.18 115.15 120.90 2il4 h HIS 64 Ca 0.11 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2il4 h HIS 64 Cb 0.27 0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 2il4 h HIS 64 CO 0.01 -0.39 -0.16 0.00 -1.30 0.00 0.00 177.93 176.09 2il4 h ALA 65 N 0.34 -0.26 -0.13 5.26 0.00 -0.92 -2.01 119.26 121.54 2il4 h ALA 65 Ca 0.07 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2il4 h ALA 65 Cb 0.53 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2il4 h ALA 65 CO -0.27 -0.68 -0.16 1.03 0.00 0.00 0.00 179.25 179.17 2il4 h SER 66 N -0.31 -0.50 0.36 0.00 0.87 -0.58 0.24 113.55 113.63 2il4 h SER 66 Ca 0.02 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2il4 h SER 66 Cb 0.32 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2il4 h SER 66 CO -0.08 -0.21 -0.12 0.77 -0.53 0.00 0.00 176.83 176.66 2il4 h SER 67 N -0.20 0.00 -0.45 6.23 4.64 -0.50 -2.83 113.55 120.44 2il4 h SER 67 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2il4 h SER 67 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2il4 h SER 67 CO -0.25 0.12 0.00 1.41 -0.87 0.00 0.00 176.83 177.25 2il4 n HIS 68 N -3.66 0.58 -3.20 4.77 8.25 -0.77 -4.96 115.22 116.23 2il4 n HIS 68 Ca -0.02 -0.29 -0.21 0.00 -0.26 0.00 0.00 57.72 56.94 2il4 n HIS 68 Cb 0.24 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.40 2il4 n HIS 68 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2il4 n SER 69 N 1.36 -5.87 -4.70 0.41 7.64 -0.62 -5.02 113.62 106.82 2il4 n SER 69 Ca 0.20 -0.37 -0.34 0.00 1.01 0.00 0.00 58.87 59.38 2il4 n SER 69 Cb 0.57 -4.60 -0.09 0.00 -1.01 0.00 0.00 64.21 59.07 2il4 n SER 69 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2il4 s ILE 70 N -3.20 4.30 0.36 0.44 1.01 -0.03 -5.02 121.20 119.06 2il4 s ILE 70 Ca 0.39 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.67 2il4 s ILE 70 Cb -0.17 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2il4 s ILE 70 CO 0.49 0.47 0.51 -0.94 0.00 0.00 0.00 174.94 175.47 2il4 s SER 71 N -1.30 5.94 -0.01 3.58 1.04 -0.95 -4.19 113.70 117.81 2il4 s SER 71 Ca 0.17 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.58 2il4 s SER 71 Cb -0.11 -1.30 -0.02 0.00 0.10 0.00 0.00 66.02 64.68 2il4 s SER 71 CO 0.07 -0.49 -0.21 -0.63 0.98 0.00 0.00 173.24 172.97 2il4 s ILE 72 N -2.26 2.54 -0.24 -1.02 1.01 0.00 -0.45 121.20 120.78 2il4 s ILE 72 Ca 0.46 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2il4 s ILE 72 Cb -0.10 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 2il4 s ILE 72 CO 0.33 0.52 0.06 -0.63 0.00 0.00 0.00 174.94 175.22 2il4 s ILE 73 N -0.72 4.25 -1.30 2.92 1.01 -0.31 -0.22 121.20 126.83 2il4 s ILE 73 Ca 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 2il4 s ILE 73 Cb -0.10 -2.98 0.14 0.00 0.01 0.00 0.00 42.46 39.53 2il4 s ILE 73 CO 0.01 0.35 2.16 -0.81 0.00 0.00 0.00 174.94 176.65 2il4 n PRO 74 N 4.85 4.20 -0.07 2.79 -0.04 -1.26 -0.58 135.00 144.89 2il4 n PRO 74 Ca -0.16 -3.51 -0.11 0.00 -0.04 0.00 0.00 63.50 59.68 2il4 n PRO 74 Cb 0.51 -2.75 -0.04 0.00 -0.04 0.00 0.00 33.50 31.19 2il4 n PRO 74 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2il4 h SER 75 N 5.08 0.36 -2.52 3.54 0.02 -1.79 -3.36 113.55 114.87 2il4 h SER 75 Ca 0.57 -0.23 -0.60 0.00 -0.84 0.00 0.00 61.79 60.69 2il4 h SER 75 Cb 0.44 -0.09 0.08 0.00 0.14 0.00 0.00 62.40 62.97 2il4 h SER 75 CO 1.54 0.49 0.56 0.00 -1.14 0.00 0.00 176.83 178.28 2il4 h SER 77 N 4.13 0.39 -0.50 0.00 0.02 -1.88 -2.13 113.55 113.57 2il4 h SER 77 Ca -0.45 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 2il4 h SER 77 Cb 1.29 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2il4 h SER 77 CO 0.75 0.33 0.25 0.22 -1.14 0.00 0.00 176.83 177.24 2il4 h TYR 78 N 0.45 0.71 0.08 3.45 3.20 -1.95 -0.81 116.97 122.11 2il4 h TYR 78 Ca 0.12 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2il4 h TYR 78 Cb 0.02 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2il4 h TYR 78 CO 0.00 0.55 -0.04 0.28 -1.64 0.00 0.00 178.16 177.31 2il4 h VAL 79 N 0.66 1.08 0.01 1.81 2.07 -1.74 -0.23 116.25 119.92 2il4 h VAL 79 Ca 0.17 -0.60 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 2il4 h VAL 79 Cb 0.09 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2il4 h VAL 79 CO -0.02 0.15 -0.92 0.77 0.02 0.00 0.00 177.57 177.57 2il4 h SER 80 N -0.39 0.21 0.35 0.57 4.64 -1.46 -0.78 113.55 116.70 2il4 h SER 80 Ca -0.01 -0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 2il4 h SER 80 Cb 0.33 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2il4 h SER 80 CO 0.02 1.02 -1.73 0.47 -0.87 0.00 0.00 176.83 175.74 2il4 n ASP 81 N -3.60 0.35 0.03 4.97 8.00 -0.31 -4.45 116.55 121.53 2il4 n ASP 81 Ca -0.03 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2il4 n ASP 81 Cb 0.84 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 43.09 2il4 n ASP 81 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2il4 n THR 82 N -2.55 0.33 0.03 -3.53 -1.04 -0.70 -4.75 114.28 102.07 2il4 n THR 82 Ca -0.09 0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 2il4 n THR 82 Cb 0.71 -1.29 -0.09 0.00 -1.82 0.00 0.00 70.33 67.84 2il4 n THR 82 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2il4 h PHE 83 N 0.00 -0.08 -0.30 -1.42 3.57 -1.04 -2.67 116.94 115.01 2il4 h PHE 83 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2il4 h PHE 83 Cb 0.50 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2il4 h PHE 83 CO 0.00 0.25 0.10 -0.07 -2.23 0.00 0.00 178.31 176.36 2il4 h LEU 84 N -0.40 0.43 -1.46 0.59 3.38 -1.38 -0.59 115.31 115.87 2il4 h LEU 84 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2il4 h LEU 84 Cb 0.36 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2il4 h LEU 84 CO 0.01 0.51 0.35 -0.65 0.09 0.00 0.00 178.44 178.75 2il4 h PRO 85 N 0.32 0.71 0.00 1.13 0.11 -1.78 -1.94 132.00 130.55 2il4 h PRO 85 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2il4 h PRO 85 Cb 0.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2il4 h PRO 85 CO -0.00 0.47 -0.17 0.54 -0.21 0.00 0.00 178.00 178.63 2il4 n ARG 86 N -4.45 0.18 -3.13 1.05 1.74 -1.01 -4.17 116.66 106.87 2il4 n ARG 86 Ca 0.05 0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 57.06 2il4 n ARG 86 Cb 0.05 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.78 2il4 n ARG 86 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2il4 n ASN 87 N -1.98 1.21 0.22 0.55 3.02 -0.26 -4.99 115.26 113.03 2il4 n ASN 87 Ca 0.05 -3.06 0.15 0.00 -0.03 0.00 0.00 54.58 51.70 2il4 n ASN 87 Cb 0.40 -0.61 0.71 0.00 -0.61 0.00 0.00 39.78 39.67 2il4 n ASN 87 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2il4 h PRO 88 N 3.00 0.00 0.00 3.52 0.13 -1.54 -1.87 132.00 135.24 2il4 h PRO 88 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2il4 h PRO 88 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2il4 h PRO 88 CO 0.53 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.17 2il4 n SER 89 N -2.62 0.00 0.01 1.44 3.41 -1.26 -1.58 113.62 113.02 2il4 n SER 89 Ca -0.00 0.38 0.12 0.00 -0.26 0.00 0.00 58.87 59.11 2il4 n SER 89 Cb 0.17 -0.42 0.15 0.00 -0.26 0.00 0.00 64.21 63.85 2il4 n SER 89 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2il4 n TRP 90 N -1.42 0.12 0.15 7.33 7.02 -0.70 -4.41 117.44 125.52 2il4 n TRP 90 Ca 0.02 0.03 0.08 0.00 -1.02 0.00 0.00 57.50 56.62 2il4 n TRP 90 Cb 0.08 -0.31 0.57 0.00 -2.42 0.00 0.00 31.31 29.23 2il4 n TRP 90 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2il4 h LYS 91 N 0.00 0.19 -0.00 -0.99 1.57 -1.48 -0.65 116.57 115.20 2il4 h LYS 91 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2il4 h LYS 91 Cb 0.57 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2il4 h LYS 91 CO 0.00 0.12 0.01 -1.35 -0.57 0.00 0.00 179.45 177.66 2il4 h PRO 92 N 0.19 0.00 0.00 3.15 0.11 -1.79 -1.76 132.00 131.90 2il4 h PRO 92 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2il4 h PRO 92 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2il4 h PRO 92 CO -0.01 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.06 2il4 n LEU 93 N -3.55 0.48 -4.72 2.35 7.99 -0.25 -4.83 117.00 114.48 2il4 n LEU 93 Ca -0.03 0.64 -0.41 0.00 -0.01 0.00 0.00 56.01 56.20 2il4 n LEU 93 Cb 0.09 -0.60 -0.04 0.00 -0.11 0.00 0.00 43.42 42.76 2il4 n LEU 93 CO 0.24 -0.56 0.60 -0.63 -1.51 0.00 0.00 177.39 175.53 2il4 s ILE 94 N -3.27 4.85 -1.82 -0.08 -1.09 -0.66 -0.82 121.20 118.31 2il4 s ILE 94 Ca 0.03 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.34 2il4 s ILE 94 Cb 0.08 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2il4 s ILE 94 CO 0.31 0.22 0.45 1.57 -1.23 0.00 0.00 174.94 176.27