#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie0 s SER 3 N 0.00 -0.18 0.29 3.54 1.04 -1.26 -5.04 113.70 112.09 1ie0 s SER 3 Ca 0.00 0.23 0.17 0.00 0.48 0.00 0.00 55.95 56.83 1ie0 s SER 3 Cb 0.00 0.40 0.58 0.00 0.10 0.00 0.00 66.02 67.10 1ie0 s SER 3 CO 0.00 -0.26 0.69 0.52 0.98 0.00 0.00 173.24 175.17 1ie0 n VAL 4 N 2.11 0.00 -0.17 5.02 0.31 -1.26 -1.18 118.33 123.17 1ie0 n VAL 4 Ca -0.18 0.66 -0.02 0.00 -0.01 0.00 0.00 64.34 64.80 1ie0 n VAL 4 Cb 0.57 -1.16 0.07 0.00 -0.91 0.00 0.00 33.84 32.41 1ie0 n VAL 4 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1ie0 h GLU 5 N 0.00 0.25 -0.94 5.55 4.22 -1.96 -2.69 114.58 119.01 1ie0 h GLU 5 Ca 0.32 -0.02 0.18 0.00 0.08 0.00 0.00 59.36 59.92 1ie0 h GLU 5 Cb 1.60 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.71 1ie0 h GLU 5 CO -0.00 0.17 0.60 1.03 -2.18 0.00 0.00 179.01 178.62 1ie0 h SER 6 N 0.26 0.63 0.65 1.04 0.87 -1.55 0.15 113.55 115.59 1ie0 h SER 6 Ca 0.26 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1ie0 h SER 6 Cb 0.35 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1ie0 h SER 6 CO -0.33 0.27 -0.02 -0.26 -0.53 0.00 0.00 176.83 175.97 1ie0 h PHE 7 N 0.64 0.00 -0.01 2.24 0.05 -1.70 -2.73 116.94 115.42 1ie0 h PHE 7 Ca 0.50 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.29 1ie0 h PHE 7 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.86 1ie0 h PHE 7 CO -0.00 0.02 -0.15 0.39 -0.18 0.00 0.00 178.31 178.38 1ie0 n GLU 8 N -3.14 1.38 -2.61 1.51 -0.58 0.51 -4.89 120.64 112.82 1ie0 n GLU 8 Ca -0.01 -0.91 -0.40 0.00 -0.42 0.00 0.00 57.16 55.42 1ie0 n GLU 8 Cb 0.23 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 1ie0 n GLU 8 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ie0 s LEU 9 N -2.25 4.59 -0.80 -4.62 2.96 -1.03 -4.96 118.68 112.56 1ie0 s LEU 9 Ca 0.29 2.09 -0.23 0.00 -0.22 0.00 0.00 54.13 56.07 1ie0 s LEU 9 Cb 0.20 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 43.35 1ie0 s LEU 9 CO 0.43 -0.02 1.15 -0.62 -1.32 0.00 0.00 176.35 175.97 1ie0 s ASP 10 N -0.89 6.34 0.60 3.68 -1.08 -1.26 -4.84 116.67 119.22 1ie0 s ASP 10 Ca 0.44 -1.22 0.37 0.00 -0.52 0.00 0.00 52.55 51.61 1ie0 s ASP 10 Cb -0.29 -2.47 1.93 0.00 -1.46 0.00 0.00 42.92 40.64 1ie0 s ASP 10 CO 0.36 -1.44 2.22 0.45 0.52 0.00 0.00 175.17 177.28 1ie0 h HIS 11 N 9.52 0.00 0.00 -5.34 3.86 -1.93 -1.40 115.15 119.86 1ie0 h HIS 11 Ca -0.09 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 1ie0 h HIS 11 Cb 1.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 1ie0 h HIS 11 CO 1.10 0.03 -0.32 -0.91 0.86 0.00 0.00 177.93 178.69 1ie0 h ASN 12 N 0.00 0.00 0.71 2.45 2.35 -1.92 -3.33 115.58 115.85 1ie0 h ASN 12 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1ie0 h ASN 12 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1ie0 h ASN 12 CO 0.00 0.32 -1.32 0.00 -1.65 0.00 0.00 177.43 174.78 1ie0 n ALA 13 N -2.22 2.40 -1.47 -0.83 0.00 -0.54 -4.96 120.51 112.89 1ie0 n ALA 13 Ca 0.01 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 1ie0 n ALA 13 Cb 0.56 -0.98 0.09 0.00 0.00 0.00 0.00 19.45 19.12 1ie0 n ALA 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ie0 s VAL 14 N -3.26 3.16 -0.28 0.00 -7.23 -1.16 -4.65 120.40 106.98 1ie0 s VAL 14 Ca -0.03 0.38 -0.01 0.00 -1.81 0.00 0.00 61.98 60.51 1ie0 s VAL 14 Cb 0.10 -3.06 0.09 0.00 0.56 0.00 0.00 36.38 34.07 1ie0 s VAL 14 CO 0.82 -0.49 0.07 -0.69 -0.31 0.00 0.00 175.10 174.49 1ie0 s VAL 15 N -3.08 0.98 0.65 1.32 1.01 0.21 -4.93 120.40 116.56 1ie0 s VAL 15 Ca 0.61 -1.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1ie0 s VAL 15 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1ie0 s VAL 15 CO 0.55 -0.52 1.04 0.00 0.00 0.00 0.00 175.10 176.17 1ie0 s ALA 16 N 1.59 2.97 0.41 5.51 0.00 -1.26 -4.43 121.76 126.55 1ie0 s ALA 16 Ca 0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 1ie0 s ALA 16 Cb -0.17 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1ie0 s ALA 16 CO -0.19 -0.86 0.83 -1.25 0.00 0.00 0.00 175.76 174.29 1ie0 s PRO 17 N -5.16 3.93 0.28 0.00 0.04 -1.26 -4.87 135.00 127.96 1ie0 s PRO 17 Ca 0.56 0.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.12 1ie0 s PRO 17 Cb -0.12 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.12 1ie0 s PRO 17 CO 0.54 -0.04 0.67 1.52 0.04 0.00 0.00 177.00 179.73 1ie0 s TYR 18 N -2.31 -0.05 -0.16 0.56 -0.85 -0.53 -4.45 117.35 109.57 1ie0 s TYR 18 Ca 0.55 -0.41 0.02 0.00 -0.52 0.00 0.00 57.07 56.71 1ie0 s TYR 18 Cb -0.10 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.86 1ie0 s TYR 18 CO 0.26 -1.21 -0.20 0.08 -1.52 0.00 0.00 175.55 172.95 1ie0 s VAL 19 N -3.83 1.98 -0.10 -3.49 1.01 -0.44 -1.17 120.40 114.36 1ie0 s VAL 19 Ca 0.14 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1ie0 s VAL 19 Cb -0.05 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1ie0 s VAL 19 CO 0.08 0.53 -0.19 -0.60 0.00 0.00 0.00 175.10 174.92 1ie0 s ARG 20 N 1.08 2.56 -0.60 2.72 3.52 -0.39 -4.74 118.95 123.11 1ie0 s ARG 20 Ca -0.01 -0.70 -0.25 0.00 -0.13 0.00 0.00 55.73 54.64 1ie0 s ARG 20 Cb -0.14 -2.03 0.04 0.00 -1.56 0.00 0.00 34.95 31.26 1ie0 s ARG 20 CO -0.07 0.07 1.02 -1.58 -0.81 0.00 0.00 175.30 173.92 1ie0 s HIS 21 N 0.61 2.69 -0.04 5.12 5.65 -1.26 -0.21 115.29 127.84 1ie0 s HIS 21 Ca -0.14 -0.06 0.19 0.00 0.25 0.00 0.00 55.06 55.31 1ie0 s HIS 21 Cb -0.17 -4.23 -0.30 0.00 -1.18 0.00 0.00 32.58 26.70 1ie0 s HIS 21 CO 0.04 -1.52 0.43 0.00 -0.65 0.00 0.00 174.74 173.05 1ie0 s GLY 23 N -4.20 -0.39 0.01 0.00 0.00 -1.10 -4.98 107.32 96.66 1ie0 s GLY 23 Ca -0.07 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1ie0 s GLY 23 CO 0.80 0.24 -0.01 0.54 0.00 0.00 0.00 173.10 174.67 1ie0 s VAL 24 N -2.46 0.04 -0.01 1.40 0.11 -1.26 -0.85 120.40 117.37 1ie0 s VAL 24 Ca -0.05 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1ie0 s VAL 24 Cb -0.01 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 1ie0 s VAL 24 CO -0.02 -0.14 -0.04 -1.00 -3.33 0.00 0.00 175.10 170.57 1ie0 s HIS 25 N -0.42 0.41 0.17 1.54 3.76 0.20 -4.97 115.29 115.97 1ie0 s HIS 25 Ca -0.05 -0.08 -0.30 0.00 -0.15 0.00 0.00 55.06 54.49 1ie0 s HIS 25 Cb -0.03 -0.30 -0.07 0.00 1.11 0.00 0.00 32.58 33.29 1ie0 s HIS 25 CO -0.00 -0.03 1.04 0.21 -0.85 0.00 0.00 174.74 175.10 1ie0 s LYS 26 N 0.07 4.66 -0.05 1.40 2.47 -1.26 -1.02 119.74 126.01 1ie0 s LYS 26 Ca -0.00 1.61 0.00 0.00 -1.56 0.00 0.00 55.97 56.02 1ie0 s LYS 26 Cb -0.04 -3.30 0.02 0.00 -1.46 0.00 0.00 37.83 33.05 1ie0 s LYS 26 CO -0.00 0.18 -0.02 0.08 0.16 0.00 0.00 175.35 175.75 1ie0 s VAL 27 N -0.34 0.38 0.00 4.02 1.01 -0.54 -4.88 120.40 120.05 1ie0 s VAL 27 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1ie0 s VAL 27 Cb -0.27 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1ie0 s VAL 27 CO 0.33 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1ie0 n GLY 28 N 4.33 -0.21 0.13 4.51 0.00 -1.26 -0.95 105.19 111.74 1ie0 n GLY 28 Ca -0.21 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 44.89 1ie0 n GLY 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ie0 h THR 29 N 0.00 0.04 0.00 2.61 1.35 -2.05 -3.40 112.91 111.46 1ie0 h THR 29 Ca 0.00 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1ie0 h THR 29 Cb 0.00 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1ie0 h THR 29 CO 0.00 0.02 -0.16 -0.90 -0.25 0.00 0.00 175.52 174.23 1ie0 n ASP 30 N -2.77 0.33 -4.82 5.36 5.68 -1.25 -5.10 116.55 113.98 1ie0 n ASP 30 Ca 0.00 -1.54 -0.22 0.00 -0.50 0.00 0.00 54.79 52.53 1ie0 n ASP 30 Cb 0.57 -0.09 -0.04 0.00 -1.14 0.00 0.00 41.12 40.41 1ie0 n ASP 30 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ie0 s GLY 31 N -0.59 1.71 0.04 6.12 0.00 -0.12 -5.01 107.32 109.47 1ie0 s GLY 31 Ca 0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 1ie0 s GLY 31 CO 0.00 -1.58 0.06 -1.34 0.00 0.00 0.00 173.10 170.25 1ie0 s VAL 32 N -2.28 0.15 -0.07 1.40 -7.23 -1.26 -1.46 120.40 109.64 1ie0 s VAL 32 Ca 0.38 -1.20 0.05 0.00 -1.81 0.00 0.00 61.98 59.40 1ie0 s VAL 32 Cb -0.06 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1ie0 s VAL 32 CO 0.25 -0.66 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.47 1ie0 s VAL 33 N -2.76 2.29 0.06 1.32 1.01 -0.19 -1.15 120.40 120.98 1ie0 s VAL 33 Ca -0.04 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1ie0 s VAL 33 Cb -0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1ie0 s VAL 33 CO -0.05 0.57 -0.22 0.20 0.00 0.00 0.00 175.10 175.60 1ie0 s ASN 34 N -0.10 3.56 0.01 3.32 0.01 -0.01 -0.63 114.94 121.10 1ie0 s ASN 34 Ca -0.05 -0.52 0.08 0.00 -0.71 0.00 0.00 52.86 51.66 1ie0 s ASN 34 Cb -0.14 -0.46 -0.02 0.00 0.41 0.00 0.00 41.25 41.03 1ie0 s ASN 34 CO 0.04 0.24 -0.26 -0.75 -1.51 0.00 0.00 177.10 174.87 1ie0 s LYS 35 N -1.50 1.94 -0.01 -0.60 2.20 -0.03 -1.16 119.74 120.58 1ie0 s LYS 35 Ca 0.14 -0.99 0.06 0.00 -0.36 0.00 0.00 55.97 54.82 1ie0 s LYS 35 Cb -0.10 -1.97 -0.01 0.00 -1.51 0.00 0.00 37.83 34.23 1ie0 s LYS 35 CO 0.05 0.53 -0.18 -0.06 -0.36 0.00 0.00 175.35 175.32 1ie0 s PHE 36 N -0.68 1.63 -0.40 4.03 0.40 0.18 -1.13 117.98 122.01 1ie0 s PHE 36 Ca 0.10 -0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 55.95 1ie0 s PHE 36 Cb -0.10 -1.04 0.01 0.00 0.51 0.00 0.00 43.02 42.40 1ie0 s PHE 36 CO 0.00 -0.02 0.44 0.34 0.70 0.00 0.00 175.22 176.68 1ie0 s ASP 37 N -0.45 6.21 -0.59 1.36 2.15 0.71 -1.35 116.67 124.71 1ie0 s ASP 37 Ca 0.07 -0.52 -0.16 0.00 0.43 0.00 0.00 52.55 52.37 1ie0 s ASP 37 Cb -0.07 -2.23 0.14 0.00 -0.30 0.00 0.00 42.92 40.47 1ie0 s ASP 37 CO -0.01 -0.54 0.54 -0.63 -0.17 0.00 0.00 175.17 174.36 1ie0 s ILE 38 N 2.18 5.27 -0.35 4.11 -1.09 -0.04 -1.26 121.20 130.02 1ie0 s ILE 38 Ca 0.13 -1.65 -0.12 0.00 -2.23 0.00 0.00 60.65 56.77 1ie0 s ILE 38 Cb -0.17 -4.36 -0.01 0.00 -1.58 0.00 0.00 42.46 36.35 1ie0 s ILE 38 CO 0.14 -0.90 0.23 -0.60 -1.23 0.00 0.00 174.94 172.58 1ie0 s ARG 39 N 1.37 3.34 -0.16 2.79 6.06 -0.32 -0.85 118.95 131.19 1ie0 s ARG 39 Ca 0.05 -0.75 -0.12 0.00 -2.50 0.00 0.00 55.73 52.41 1ie0 s ARG 39 Cb -0.27 -3.78 -0.23 0.00 0.06 0.00 0.00 34.95 30.73 1ie0 s ARG 39 CO 0.01 -0.50 0.29 1.19 -2.50 0.00 0.00 175.30 173.79 1ie0 n PHE 40 N 5.08 1.14 -4.11 5.12 3.01 0.11 -1.45 117.46 126.36 1ie0 n PHE 40 Ca -0.13 0.33 -0.30 0.00 1.01 0.00 0.00 57.45 58.36 1ie0 n PHE 40 Cb 0.49 -1.14 -0.08 0.00 -0.01 0.00 0.00 39.48 38.75 1ie0 n PHE 40 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ie0 s GLN 42 N -2.36 4.10 0.03 0.00 2.00 -1.26 -4.81 119.66 117.37 1ie0 s GLN 42 Ca 0.27 1.78 -0.38 0.00 -2.00 0.00 0.00 55.36 55.02 1ie0 s GLN 42 Cb -0.12 -3.89 -0.17 0.00 0.80 0.00 0.00 33.01 29.63 1ie0 s GLN 42 CO 0.19 -0.90 1.33 -2.30 -0.50 0.00 0.00 175.29 173.11 1ie0 n PRO 43 N 7.04 0.95 -1.46 1.67 -0.02 -1.26 -1.23 135.00 140.68 1ie0 n PRO 43 Ca 0.16 0.34 -0.16 0.00 -2.02 0.00 0.00 63.50 61.82 1ie0 n PRO 43 Cb 0.44 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 1ie0 n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ie0 n ASN 44 N 2.61 -5.58 0.00 2.55 4.13 -1.26 -4.76 115.26 112.95 1ie0 n ASN 44 Ca 0.19 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.85 1ie0 n ASN 44 Cb 0.16 -4.49 0.00 0.00 -1.54 0.00 0.00 39.78 33.92 1ie0 n ASN 44 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ie0 n LYS 45 N -1.66 0.00 -4.11 3.52 4.76 -0.37 -5.10 118.16 115.21 1ie0 n LYS 45 Ca -0.16 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.19 1ie0 n LYS 45 Cb 0.63 -0.65 -0.10 0.00 -1.84 0.00 0.00 35.03 33.07 1ie0 n LYS 45 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1ie0 s GLN 46 N -1.94 0.66 0.08 1.97 1.11 -0.87 -5.00 119.66 115.67 1ie0 s GLN 46 Ca 0.00 -1.18 -0.17 0.00 0.01 0.00 0.00 55.36 54.02 1ie0 s GLN 46 Cb 0.00 0.02 0.03 0.00 -1.01 0.00 0.00 33.01 32.05 1ie0 s GLN 46 CO 0.00 -0.06 0.40 0.00 0.01 0.00 0.00 175.29 175.64 1ie0 s ALA 47 N -3.45 -0.94 0.36 6.09 0.00 -1.26 -4.26 121.76 118.30 1ie0 s ALA 47 Ca 0.06 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 1ie0 s ALA 47 Cb 0.04 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.59 1ie0 s ALA 47 CO -0.07 -0.53 0.70 -1.64 0.00 0.00 0.00 175.76 174.22 1ie0 s MET 48 N -3.05 3.76 0.44 0.00 -1.94 -0.34 -5.04 119.30 113.13 1ie0 s MET 48 Ca -0.02 0.36 -0.15 0.00 -1.71 0.00 0.00 55.69 54.18 1ie0 s MET 48 Cb 0.00 -2.47 -0.08 0.00 2.01 0.00 0.00 34.83 34.30 1ie0 s MET 48 CO -0.06 0.06 0.87 0.15 -0.01 0.00 0.00 175.02 176.03 1ie0 s LYS 49 N -3.64 3.92 0.28 2.03 -0.14 -1.26 -4.88 119.74 116.05 1ie0 s LYS 49 Ca 0.49 0.76 0.02 0.00 -1.36 0.00 0.00 55.97 55.89 1ie0 s LYS 49 Cb -0.10 -2.27 0.60 0.00 -1.68 0.00 0.00 37.83 34.38 1ie0 s LYS 49 CO 0.29 -0.11 1.81 -1.35 -0.76 0.00 0.00 175.35 175.23 1ie0 h PRO 50 N 1.29 0.87 -0.49 -1.68 0.11 -1.98 -1.52 132.00 128.60 1ie0 h PRO 50 Ca -0.47 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 1ie0 h PRO 50 Cb 1.18 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1ie0 h PRO 50 CO 0.63 0.58 -0.21 0.38 -0.21 0.00 0.00 178.00 179.17 1ie0 h ASP 51 N 0.90 1.03 -0.49 -2.05 2.03 -1.92 -1.14 116.42 114.78 1ie0 h ASP 51 Ca 0.51 -0.39 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1ie0 h ASP 51 Cb 0.61 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.80 1ie0 h ASP 51 CO -0.30 1.19 0.32 0.74 -1.03 0.00 0.00 179.24 180.16 1ie0 h THR 52 N 0.86 1.13 -0.58 1.15 2.02 -1.67 -1.34 112.91 114.48 1ie0 h THR 52 Ca 0.11 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1ie0 h THR 52 Cb 0.79 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1ie0 h THR 52 CO 0.07 0.13 0.36 0.40 0.37 0.00 0.00 175.52 176.84 1ie0 h ILE 53 N 0.66 1.07 -0.19 3.11 2.04 -1.07 -0.23 117.51 122.91 1ie0 h ILE 53 Ca 0.18 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1ie0 h ILE 53 Cb -0.06 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1ie0 h ILE 53 CO -0.04 0.13 0.01 -0.74 0.00 0.00 0.00 178.15 177.51 1ie0 h HIS 54 N 0.71 0.36 -0.55 1.37 2.76 -1.06 -0.63 115.15 118.10 1ie0 h HIS 54 Ca 0.23 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1ie0 h HIS 54 Cb 0.01 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1ie0 h HIS 54 CO -0.06 0.51 0.14 1.15 -1.30 0.00 0.00 177.93 178.37 1ie0 h THR 55 N 0.10 1.25 -0.36 6.26 2.02 -0.97 -1.52 112.91 119.68 1ie0 h THR 55 Ca 0.06 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.29 1ie0 h THR 55 Cb 0.36 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1ie0 h THR 55 CO 0.01 0.32 -0.07 0.25 0.37 0.00 0.00 175.52 176.40 1ie0 h LEU 56 N 0.78 0.57 -0.23 2.58 5.85 -0.98 -0.20 115.31 123.69 1ie0 h LEU 56 Ca 0.17 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1ie0 h LEU 56 Cb 0.34 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1ie0 h LEU 56 CO 0.00 0.69 0.12 -0.08 -0.34 0.00 0.00 178.44 178.83 1ie0 h GLU 57 N 0.56 0.24 -0.45 1.25 4.81 -0.74 0.80 114.58 121.05 1ie0 h GLU 57 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ie0 h GLU 57 Cb 0.46 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1ie0 h GLU 57 CO 0.02 0.16 0.28 0.45 -0.73 0.00 0.00 179.01 179.20 1ie0 h HIS 58 N 0.25 0.59 -0.40 0.92 3.86 -0.41 -1.22 115.15 118.74 1ie0 h HIS 58 Ca 0.09 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1ie0 h HIS 58 Cb 0.02 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1ie0 h HIS 58 CO -0.09 0.40 0.12 -0.07 0.86 0.00 0.00 177.93 179.15 1ie0 h LEU 59 N 0.61 0.58 -0.39 2.43 3.38 -0.68 -1.25 115.31 119.99 1ie0 h LEU 59 Ca 0.16 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1ie0 h LEU 59 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1ie0 h LEU 59 CO -0.03 0.64 -0.20 -0.07 0.09 0.00 0.00 178.44 178.87 1ie0 h LEU 60 N 0.50 0.85 -0.85 1.67 3.38 -0.77 -1.73 115.31 118.37 1ie0 h LEU 60 Ca 0.13 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1ie0 h LEU 60 Cb 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ie0 h LEU 60 CO -0.00 1.07 0.19 0.00 0.09 0.00 0.00 178.44 179.79 1ie0 h ALA 61 N 0.81 1.06 -0.17 1.53 0.00 -1.10 -1.00 119.26 120.38 1ie0 h ALA 61 Ca 0.09 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1ie0 h ALA 61 Cb 0.75 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ie0 h ALA 61 CO 0.06 0.63 -0.60 0.35 0.00 0.00 0.00 179.25 179.68 1ie0 h PHE 62 N 1.01 0.75 0.00 0.00 3.57 -1.17 -3.36 116.94 117.74 1ie0 h PHE 62 Ca 0.22 -0.29 -0.13 0.00 3.53 0.00 0.00 57.97 61.30 1ie0 h PHE 62 Cb 0.31 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1ie0 h PHE 62 CO 0.02 1.04 -1.94 0.25 -2.23 0.00 0.00 178.31 175.46 1ie0 n THR 63 N -3.94 0.62 -0.07 4.41 -2.24 -0.66 -4.59 114.28 107.81 1ie0 n THR 63 Ca -0.04 -0.63 -0.04 0.00 -2.27 0.00 0.00 64.05 61.07 1ie0 n THR 63 Cb 0.64 -0.27 0.19 0.00 -2.10 0.00 0.00 70.33 68.79 1ie0 n THR 63 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ie0 h ILE 64 N 0.00 1.24 -0.85 2.28 2.10 -1.33 -3.26 117.51 117.69 1ie0 h ILE 64 Ca -0.18 -1.01 -0.01 0.00 1.08 0.00 0.00 64.86 64.74 1ie0 h ILE 64 Cb 1.44 0.96 -0.04 0.00 -1.09 0.00 0.00 36.82 38.09 1ie0 h ILE 64 CO 0.02 0.35 0.51 0.03 -1.08 0.00 0.00 178.15 177.97 1ie0 h ARG 65 N 0.66 1.15 -0.66 2.19 2.47 -1.81 -0.83 114.38 117.55 1ie0 h ARG 65 Ca 0.13 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1ie0 h ARG 65 Cb 0.47 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 1ie0 h ARG 65 CO 0.02 0.81 0.34 0.66 0.56 0.00 0.00 179.97 182.36 1ie0 h SER 66 N 1.16 0.82 1.22 7.04 4.64 -1.87 -1.78 113.55 124.78 1ie0 h SER 66 Ca 0.30 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 1ie0 h SER 66 Cb -0.04 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1ie0 h SER 66 CO -0.06 0.67 -0.39 0.45 -0.87 0.00 0.00 176.83 176.64 1ie0 h HIS 67 N 0.92 0.00 0.00 4.77 3.86 -1.56 -2.81 115.15 120.32 1ie0 h HIS 67 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1ie0 h HIS 67 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1ie0 h HIS 67 CO 0.01 0.39 0.00 0.00 0.86 0.00 0.00 177.93 179.19 1ie0 h ALA 68 N 1.61 1.00 -0.96 2.45 0.00 -0.34 -3.32 119.26 119.69 1ie0 h ALA 68 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1ie0 h ALA 68 Cb 1.11 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1ie0 h ALA 68 CO 0.05 0.00 0.61 0.93 0.00 0.00 0.00 179.25 180.84 1ie0 h GLU 69 N 0.00 0.78 0.00 0.00 5.08 -1.11 -1.75 114.58 117.58 1ie0 h GLU 69 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ie0 h GLU 69 Cb 0.74 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ie0 h GLU 69 CO 0.00 0.52 0.00 0.36 -1.00 0.00 0.00 179.01 178.89 1ie0 n LYS 70 N -4.63 0.04 -3.65 2.33 2.85 -1.25 -4.53 118.16 109.32 1ie0 n LYS 70 Ca 0.19 0.39 -0.38 0.00 -1.05 0.00 0.00 58.31 57.46 1ie0 n LYS 70 Cb 0.47 -1.59 -0.12 0.00 -0.65 0.00 0.00 35.03 33.14 1ie0 n LYS 70 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1ie0 s TYR 71 N -3.09 3.18 -0.70 5.58 1.51 -0.66 -4.97 117.35 118.21 1ie0 s TYR 71 Ca 0.03 -0.48 0.25 0.00 -1.01 0.00 0.00 57.07 55.86 1ie0 s TYR 71 Cb 0.06 -2.36 0.53 0.00 -0.11 0.00 0.00 41.96 40.08 1ie0 s TYR 71 CO 0.18 -0.42 1.49 -0.25 -1.11 0.00 0.00 175.55 175.44 1ie0 n ASP 72 N 4.99 0.71 -0.73 2.29 8.00 -1.26 -4.12 116.55 126.43 1ie0 n ASP 72 Ca -0.14 0.27 0.12 0.00 0.71 0.00 0.00 54.79 55.75 1ie0 n ASP 72 Cb 0.50 -0.17 0.33 0.00 -0.02 0.00 0.00 41.12 41.75 1ie0 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ie0 n HIS 73 N -2.12 0.17 -3.60 1.24 1.44 -1.26 -4.94 115.22 106.15 1ie0 n HIS 73 Ca 0.04 -0.09 -0.11 0.00 -2.01 0.00 0.00 57.72 55.56 1ie0 n HIS 73 Cb 0.43 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.50 1ie0 n HIS 73 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1ie0 s PHE 74 N -1.83 -0.26 0.03 -1.40 -0.12 -1.26 -3.28 117.98 109.86 1ie0 s PHE 74 Ca 0.34 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.19 1ie0 s PHE 74 Cb 0.20 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1ie0 s PHE 74 CO 0.30 -0.75 -0.04 -0.51 -0.05 0.00 0.00 175.22 174.17 1ie0 s ASP 75 N -2.80 0.41 -0.06 1.98 1.01 -0.70 -4.88 116.67 111.63 1ie0 s ASP 75 Ca 0.03 -0.58 -0.27 0.00 0.71 0.00 0.00 52.55 52.44 1ie0 s ASP 75 Cb 0.01 0.10 -0.03 0.00 1.01 0.00 0.00 42.92 44.01 1ie0 s ASP 75 CO -0.11 -0.32 0.88 -0.63 0.21 0.00 0.00 175.17 175.20 1ie0 s ILE 76 N -1.77 4.91 -0.25 0.77 -1.09 -1.26 -0.55 121.20 121.96 1ie0 s ILE 76 Ca -0.12 1.82 -0.02 0.00 -2.23 0.00 0.00 60.65 60.10 1ie0 s ILE 76 Cb -0.08 -4.21 -0.14 0.00 -1.58 0.00 0.00 42.46 36.45 1ie0 s ILE 76 CO -0.02 0.14 -0.25 -0.38 -1.23 0.00 0.00 174.94 173.21 1ie0 n ILE 77 N 4.08 1.39 -3.55 2.92 5.41 0.03 -4.91 119.36 124.74 1ie0 n ILE 77 Ca 0.04 -0.48 -0.14 0.00 1.00 0.00 0.00 62.75 63.17 1ie0 n ILE 77 Cb 0.50 -1.49 -0.06 0.00 -0.71 0.00 0.00 39.64 37.88 1ie0 n ILE 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ie0 s ASP 78 N -6.62 -0.50 -0.09 4.38 2.15 -0.96 -5.00 116.67 110.04 1ie0 s ASP 78 Ca -0.34 0.54 -0.00 0.00 0.43 0.00 0.00 52.55 53.19 1ie0 s ASP 78 Cb 0.10 0.41 0.02 0.00 -0.30 0.00 0.00 42.92 43.15 1ie0 s ASP 78 CO 0.53 -0.46 -0.06 -0.51 -0.17 0.00 0.00 175.17 174.50 1ie0 s ILE 79 N -1.13 0.84 0.07 4.11 2.07 -1.26 -1.12 121.20 124.77 1ie0 s ILE 79 Ca -0.06 -0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.01 1ie0 s ILE 79 Cb -0.00 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 1ie0 s ILE 79 CO 0.05 0.33 -0.09 -0.44 -1.91 0.00 0.00 174.94 172.88 1ie0 s SER 80 N 1.55 1.15 0.57 4.50 0.01 -0.59 -4.95 113.70 115.93 1ie0 s SER 80 Ca 0.01 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.39 1ie0 s SER 80 Cb -0.13 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 1ie0 s SER 80 CO -0.05 -0.26 1.04 -2.16 0.41 0.00 0.00 173.24 172.22 1ie0 s PRO 81 N -2.36 3.50 0.18 12.44 0.04 -1.26 -0.32 135.00 147.22 1ie0 s PRO 81 Ca -0.01 1.16 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 1ie0 s PRO 81 Cb -0.05 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1ie0 s PRO 81 CO -0.01 -0.66 0.74 -1.64 0.04 0.00 0.00 177.00 175.48 1ie0 s MET 82 N -4.00 4.43 0.00 4.56 -1.94 -0.26 -4.76 119.30 117.34 1ie0 s MET 82 Ca 0.63 1.03 -0.00 0.00 -1.71 0.00 0.00 55.69 55.64 1ie0 s MET 82 Cb -0.15 -3.14 -0.01 0.00 2.01 0.00 0.00 34.83 33.55 1ie0 s MET 82 CO 0.34 0.52 0.46 0.41 -0.01 0.00 0.00 175.02 176.75 1ie0 n GLY 83 N 1.33 0.92 0.40 -0.03 0.00 -1.26 -4.50 105.19 102.04 1ie0 n GLY 83 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ie0 n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ie0 n GLN 85 N 2.51 0.00 -0.00 1.61 6.02 -1.26 -5.14 117.38 121.12 1ie0 n GLN 85 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.07 1ie0 n GLN 85 Cb 0.05 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.37 1ie0 n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ie0 n THR 86 N 0.00 0.01 -3.22 5.09 -2.24 -1.26 -1.20 114.28 111.46 1ie0 n THR 86 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1ie0 n THR 86 Cb 0.44 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1ie0 n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ie0 n GLY 87 N 0.69 -0.54 3.10 3.38 0.00 -1.26 -0.71 105.19 109.84 1ie0 n GLY 87 Ca 0.07 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1ie0 n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ie0 s TYR 88 N -3.04 0.71 -0.12 1.61 1.51 -0.03 -1.10 117.35 116.89 1ie0 s TYR 88 Ca 0.00 -0.68 -0.05 0.00 -1.01 0.00 0.00 57.07 55.33 1ie0 s TYR 88 Cb 0.00 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 1ie0 s TYR 88 CO 0.00 -0.13 0.07 0.71 -1.11 0.00 0.00 175.55 175.08 1ie0 s TYR 89 N -2.32 3.35 -0.16 2.71 1.51 0.57 -0.86 117.35 122.14 1ie0 s TYR 89 Ca -0.02 0.30 -0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1ie0 s TYR 89 Cb -0.04 -1.90 -0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1ie0 s TYR 89 CO -0.02 0.52 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.62 1ie0 s LEU 90 N -0.71 2.52 -0.17 -1.29 2.96 -0.46 -1.55 118.68 119.99 1ie0 s LEU 90 Ca 0.12 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1ie0 s LEU 90 Cb -0.12 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1ie0 s LEU 90 CO 0.03 0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.36 1ie0 s VAL 91 N 0.87 3.29 0.10 1.68 1.01 -0.28 -0.64 120.40 126.43 1ie0 s VAL 91 Ca -0.04 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1ie0 s VAL 91 Cb -0.15 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1ie0 s VAL 91 CO -0.01 0.48 -0.12 0.68 0.00 0.00 0.00 175.10 176.13 1ie0 s VAL 92 N 0.81 1.09 0.17 2.92 -7.23 -0.31 -0.79 120.40 117.07 1ie0 s VAL 92 Ca -0.03 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 1ie0 s VAL 92 Cb -0.15 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 1ie0 s VAL 92 CO 0.01 -0.46 0.40 -0.94 -0.31 0.00 0.00 175.10 173.80 1ie0 s SER 93 N -2.34 6.48 0.00 4.85 1.04 0.29 -0.83 113.70 123.19 1ie0 s SER 93 Ca 0.05 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1ie0 s SER 93 Cb -0.05 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1ie0 s SER 93 CO 0.01 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1ie0 n GLY 94 N -0.14 -2.68 2.65 7.32 0.00 -0.30 -1.72 105.19 110.31 1ie0 n GLY 94 Ca -0.02 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 1ie0 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ie0 s GLU 95 N -0.61 1.58 0.85 1.61 2.12 -1.21 -4.17 118.70 118.88 1ie0 s GLU 95 Ca 0.00 -2.57 -0.13 0.00 0.36 0.00 0.00 54.97 52.63 1ie0 s GLU 95 Cb 0.00 -2.36 0.12 0.00 0.26 0.00 0.00 34.13 32.15 1ie0 s GLU 95 CO 0.00 -1.31 1.21 -1.25 -0.54 0.00 0.00 175.26 173.37 1ie0 s PRO 96 N -0.48 1.51 0.24 4.30 0.04 -1.26 -4.98 135.00 134.37 1ie0 s PRO 96 Ca 0.27 -0.14 0.06 0.00 0.04 0.00 0.00 61.00 61.22 1ie0 s PRO 96 Cb -0.04 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1ie0 s PRO 96 CO -0.15 -1.85 0.31 0.95 0.04 0.00 0.00 177.00 176.30 1ie0 s THR 97 N -3.64 5.03 0.28 1.26 -4.23 -1.26 -5.00 115.64 108.07 1ie0 s THR 97 Ca 0.66 -1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 1ie0 s THR 97 Cb -0.08 -3.72 0.24 0.00 1.34 0.00 0.00 72.50 70.28 1ie0 s THR 97 CO 0.50 -0.33 1.94 0.28 -0.54 0.00 0.00 174.62 176.47 1ie0 h SER 98 N 1.29 0.97 -0.97 3.99 0.02 -1.98 -1.79 113.55 115.10 1ie0 h SER 98 Ca -0.51 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1ie0 h SER 98 Cb 1.23 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.46 1ie0 h SER 98 CO 0.61 0.74 0.63 0.00 -1.14 0.00 0.00 176.83 177.67 1ie0 h ALA 99 N 1.43 1.43 -0.39 3.77 0.00 -1.96 0.23 119.26 123.77 1ie0 h ALA 99 Ca 0.30 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1ie0 h ALA 99 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1ie0 h ALA 99 CO -0.06 0.45 -0.22 0.93 0.00 0.00 0.00 179.25 180.34 1ie0 h GLU 100 N 1.15 0.78 -0.59 0.00 5.08 -1.75 -1.68 114.58 117.57 1ie0 h GLU 100 Ca 0.41 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1ie0 h GLU 100 Cb 0.13 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1ie0 h GLU 100 CO -0.15 0.93 0.12 0.82 -1.00 0.00 0.00 179.01 179.73 1ie0 h ILE 101 N 0.68 1.24 -0.36 3.13 1.08 -0.76 0.57 117.51 123.09 1ie0 h ILE 101 Ca 0.09 -0.91 -0.02 0.00 -0.39 0.00 0.00 64.86 63.63 1ie0 h ILE 101 Cb 0.74 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 1ie0 h ILE 101 CO 0.06 0.34 0.13 0.58 -0.69 0.00 0.00 178.15 178.57 1ie0 h VAL 102 N 0.89 1.20 -0.55 1.67 2.07 -0.72 0.85 116.25 121.66 1ie0 h VAL 102 Ca 0.19 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1ie0 h VAL 102 Cb 0.36 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1ie0 h VAL 102 CO 0.00 0.22 0.28 0.44 0.02 0.00 0.00 177.57 178.53 1ie0 h ASP 103 N 0.44 0.70 -0.42 0.57 3.32 -0.92 -1.31 116.42 118.79 1ie0 h ASP 103 Ca 0.12 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1ie0 h ASP 103 Cb 0.21 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1ie0 h ASP 103 CO -0.01 0.62 0.26 0.25 -1.72 0.00 0.00 179.24 178.63 1ie0 h LEU 104 N 0.74 0.42 -0.99 1.55 5.85 -0.57 -1.64 115.31 120.67 1ie0 h LEU 104 Ca 0.19 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1ie0 h LEU 104 Cb 0.09 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1ie0 h LEU 104 CO -0.03 0.30 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.95 1ie0 h LEU 105 N 0.52 0.28 -0.14 2.25 3.38 -0.62 -0.95 115.31 120.02 1ie0 h LEU 105 Ca 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ie0 h LEU 105 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ie0 h LEU 105 CO -0.07 0.62 0.02 -0.08 0.09 0.00 0.00 178.44 179.03 1ie0 h GLU 106 N 0.23 0.24 -0.42 1.13 4.81 -0.96 0.52 114.58 120.13 1ie0 h GLU 106 Ca 0.03 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1ie0 h GLU 106 Cb 0.75 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1ie0 h GLU 106 CO 0.06 0.42 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.29 1ie0 h ASP 107 N 0.01 0.66 0.07 1.04 3.32 -1.07 -0.78 116.42 119.67 1ie0 h ASP 107 Ca 0.04 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ie0 h ASP 107 Cb 0.30 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ie0 h ASP 107 CO 0.00 0.75 -0.03 0.74 -1.72 0.00 0.00 179.24 178.98 1ie0 h THR 108 N 0.64 1.10 0.00 0.35 2.02 -1.03 -2.74 112.91 113.25 1ie0 h THR 108 Ca 0.13 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.66 1ie0 h THR 108 Cb 0.44 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1ie0 h THR 108 CO 0.02 0.14 -0.39 0.24 0.37 0.00 0.00 175.52 175.90 1ie0 h MET 109 N -0.34 0.00 -0.38 6.66 2.86 -0.79 0.40 114.93 123.33 1ie0 h MET 109 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1ie0 h MET 109 Cb 0.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1ie0 h MET 109 CO 0.01 0.39 0.05 0.87 1.06 0.00 0.00 176.91 179.29 1ie0 h LYS 110 N 0.00 0.58 0.18 1.72 1.57 -1.05 -0.66 116.57 118.91 1ie0 h LYS 110 Ca -0.00 -0.11 -0.27 0.00 -1.87 0.00 0.00 60.65 58.39 1ie0 h LYS 110 Cb 0.87 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 33.12 1ie0 h LYS 110 CO 0.05 0.57 -1.17 1.49 -0.57 0.00 0.00 179.45 179.82 1ie0 h GLU 111 N 0.56 0.48 -0.07 3.15 4.81 -1.14 -3.36 114.58 119.01 1ie0 h GLU 111 Ca 0.13 -0.75 -0.07 0.00 -0.13 0.00 0.00 59.36 58.53 1ie0 h GLU 111 Cb 0.28 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1ie0 h GLU 111 CO 0.00 1.35 -0.28 0.00 -0.73 0.00 0.00 179.01 179.35 1ie0 h ALA 112 N 0.17 1.40 0.00 2.92 0.00 -0.49 -2.45 119.26 120.80 1ie0 h ALA 112 Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ie0 h ALA 112 Cb 1.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ie0 h ALA 112 CO 0.22 0.43 0.00 -0.39 0.00 0.00 0.00 179.25 179.51 1ie0 h VAL 113 N 0.12 0.00 -0.01 0.00 -1.51 -1.27 -2.03 116.25 111.54 1ie0 h VAL 113 Ca 0.02 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1ie0 h VAL 113 Cb 0.56 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1ie0 h VAL 113 CO 0.04 0.00 -0.17 -0.62 -1.23 0.00 0.00 177.57 175.59 1ie0 n GLU 114 N -2.34 1.28 -2.27 5.19 -0.58 -0.92 -4.94 120.64 116.06 1ie0 n GLU 114 Ca 0.01 -0.83 -0.41 0.00 -0.42 0.00 0.00 57.16 55.51 1ie0 n GLU 114 Cb 0.18 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 1ie0 n GLU 114 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1ie0 s ILE 115 N -2.29 3.28 -0.27 -3.67 1.01 -0.77 -4.93 121.20 113.58 1ie0 s ILE 115 Ca 0.29 1.10 0.18 0.00 0.00 0.00 0.00 60.65 62.21 1ie0 s ILE 115 Cb 0.20 -3.70 -0.25 0.00 0.01 0.00 0.00 42.46 38.72 1ie0 s ILE 115 CO 0.44 0.19 0.49 0.35 0.00 0.00 0.00 174.94 176.41 1ie0 n THR 116 N 2.30 0.00 -4.22 2.92 -2.24 -1.26 -4.92 114.28 106.85 1ie0 n THR 116 Ca 0.04 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 1ie0 n THR 116 Cb 0.43 0.37 -0.16 0.00 -2.10 0.00 0.00 70.33 68.88 1ie0 n THR 116 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1ie0 s GLU 117 N -3.05 0.80 0.03 -0.78 2.12 -1.26 -5.11 118.70 111.44 1ie0 s GLU 117 Ca -0.03 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 1ie0 s GLU 117 Cb 0.12 -0.78 -0.07 0.00 0.26 0.00 0.00 34.13 33.66 1ie0 s GLU 117 CO 0.73 -0.00 1.52 0.42 -0.54 0.00 0.00 175.26 177.39 1ie0 s ILE 118 N 0.56 3.40 0.28 -3.70 1.01 -1.26 -4.96 121.20 116.54 1ie0 s ILE 118 Ca -0.08 0.80 -0.29 0.00 0.00 0.00 0.00 60.65 61.09 1ie0 s ILE 118 Cb -0.11 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 1ie0 s ILE 118 CO 0.00 -0.00 1.29 -2.16 0.00 0.00 0.00 174.94 174.07 1ie0 s PRO 119 N 2.55 4.39 -1.97 2.79 0.04 -1.26 -3.32 135.00 138.22 1ie0 s PRO 119 Ca 0.69 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1ie0 s PRO 119 Cb -0.35 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1ie0 s PRO 119 CO 0.29 -0.17 0.00 0.00 0.04 0.00 0.00 177.00 177.16 1ie0 n ALA 120 N 1.44 -0.43 -2.06 8.56 0.00 -1.26 -4.92 120.51 121.84 1ie0 n ALA 120 Ca 0.02 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 1ie0 n ALA 120 Cb 0.42 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1ie0 n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ie0 n ALA 121 N -0.05 5.64 -2.96 0.00 0.00 -1.21 -4.08 120.51 117.84 1ie0 n ALA 121 Ca -0.22 -4.12 -0.10 0.00 0.00 0.00 0.00 53.44 49.00 1ie0 n ALA 121 Cb 0.67 -3.17 -0.05 0.00 0.00 0.00 0.00 19.45 16.90 1ie0 n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ie0 s ASN 122 N 1.66 -0.19 0.40 0.00 2.20 -1.26 -4.96 114.94 112.78 1ie0 s ASN 122 Ca 0.44 -0.32 0.08 0.00 -0.94 0.00 0.00 52.86 52.12 1ie0 s ASN 122 Cb 0.12 0.45 0.85 0.00 -2.00 0.00 0.00 41.25 40.67 1ie0 s ASN 122 CO -0.04 -0.81 2.01 -0.33 -2.94 0.00 0.00 177.10 174.99 1ie0 h GLU 123 N 2.50 0.59 -0.09 3.55 5.08 -1.89 -1.37 114.58 122.94 1ie0 h GLU 123 Ca -0.34 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 57.89 1ie0 h GLU 123 Cb 1.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1ie0 h GLU 123 CO 0.48 0.39 -0.41 -0.22 -1.00 0.00 0.00 179.01 178.25 1ie0 h LYS 124 N 0.60 0.20 -0.02 2.33 3.64 -1.97 -3.31 116.57 118.05 1ie0 h LYS 124 Ca 0.24 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ie0 h LYS 124 Cb 0.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1ie0 h LYS 124 CO -0.07 0.58 -0.22 1.04 -2.27 0.00 0.00 179.45 178.51 1ie0 n GLN 125 N -4.03 1.58 -3.88 1.90 6.02 -0.82 -4.99 117.38 113.17 1ie0 n GLN 125 Ca -0.01 -1.17 -0.12 0.00 -0.01 0.00 0.00 57.00 55.69 1ie0 n GLN 125 Cb 0.47 -1.34 -0.13 0.00 1.02 0.00 0.00 30.24 30.26 1ie0 n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ie0 n GLY 127 N 2.75 -1.31 2.70 0.00 0.00 -1.26 -4.16 105.19 103.91 1ie0 n GLY 127 Ca -0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1ie0 n GLY 127 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ie0 n GLN 128 N -1.88 0.63 0.26 1.61 7.27 -1.26 -5.02 117.38 118.99 1ie0 n GLN 128 Ca 0.04 -2.05 0.17 0.00 0.07 0.00 0.00 57.00 55.23 1ie0 n GLN 128 Cb 0.27 -1.47 0.90 0.00 2.41 0.00 0.00 30.24 32.35 1ie0 n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ie0 h ALA 129 N 4.55 1.60 0.00 1.69 0.00 -1.84 -1.31 119.26 123.95 1ie0 h ALA 129 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ie0 h ALA 129 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ie0 h ALA 129 CO 0.20 -0.14 0.00 0.87 0.00 0.00 0.00 179.25 180.18 1ie0 h LYS 130 N 0.00 0.00 -4.14 0.00 1.57 -1.95 -3.41 116.57 108.64 1ie0 h LYS 130 Ca 0.04 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.07 1ie0 h LYS 130 Cb 0.24 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.37 1ie0 h LYS 130 CO -0.00 0.00 1.58 -0.11 -0.57 0.00 0.00 179.45 180.35 1ie0 n LEU 131 N -2.82 5.86 -3.98 2.94 7.94 -0.50 -4.92 117.00 121.52 1ie0 n LEU 131 Ca 0.03 -4.58 -0.09 0.00 -1.11 0.00 0.00 56.01 50.27 1ie0 n LEU 131 Cb 0.43 -1.55 -0.10 0.00 0.53 0.00 0.00 43.42 42.73 1ie0 n LEU 131 CO 0.30 1.05 -0.30 -1.00 -1.11 0.00 0.00 177.39 176.33 1ie0 s HIS 132 N 0.84 0.28 -0.38 1.96 3.76 -1.26 -4.54 115.29 115.94 1ie0 s HIS 132 Ca 0.41 -0.59 0.06 0.00 -0.15 0.00 0.00 55.06 54.78 1ie0 s HIS 132 Cb 0.02 -0.20 0.17 0.00 1.11 0.00 0.00 32.58 33.68 1ie0 s HIS 132 CO 0.00 -0.28 0.53 0.34 -0.85 0.00 0.00 174.74 174.48 1ie0 s ASP 133 N -1.92 -0.55 0.18 1.40 2.15 -1.20 -4.87 116.67 111.86 1ie0 s ASP 133 Ca -0.08 -0.98 -0.11 0.00 0.43 0.00 0.00 52.55 51.81 1ie0 s ASP 133 Cb -0.04 1.46 0.09 0.00 -0.30 0.00 0.00 42.92 44.13 1ie0 s ASP 133 CO -0.03 -0.22 1.73 0.25 -0.17 0.00 0.00 175.17 176.73 1ie0 h LEU 134 N 7.13 0.89 -1.00 -1.34 5.85 -1.96 -1.72 115.31 123.16 1ie0 h LEU 134 Ca 0.04 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1ie0 h LEU 134 Cb 1.14 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1ie0 h LEU 134 CO 0.14 0.83 0.51 -0.33 -0.34 0.00 0.00 178.44 179.25 1ie0 h GLU 135 N 0.90 1.20 -0.48 1.25 4.39 -1.99 0.20 114.58 120.05 1ie0 h GLU 135 Ca 0.21 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 1ie0 h GLU 135 Cb 0.23 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1ie0 h GLU 135 CO -0.01 0.85 -0.03 0.78 -1.16 0.00 0.00 179.01 179.43 1ie0 h GLY 136 N 1.22 0.94 1.01 -3.84 0.00 -1.92 -0.02 103.07 100.47 1ie0 h GLY 136 Ca 0.31 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1ie0 h GLY 136 CO -0.05 0.66 0.44 0.00 0.00 0.00 0.00 176.54 177.58 1ie0 h ALA 137 N 0.91 0.98 -0.50 3.60 0.00 -0.82 -1.67 119.26 121.76 1ie0 h ALA 137 Ca 0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ie0 h ALA 137 Cb 0.56 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ie0 h ALA 137 CO 0.03 0.48 0.00 0.87 0.00 0.00 0.00 179.25 180.63 1ie0 h LYS 138 N 1.06 0.84 -0.81 0.00 1.57 -0.67 -0.52 116.57 118.04 1ie0 h LYS 138 Ca 0.27 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1ie0 h LYS 138 Cb 0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1ie0 h LYS 138 CO -0.05 0.84 0.45 -0.09 -0.57 0.00 0.00 179.45 180.03 1ie0 h ARG 139 N 0.79 1.13 -0.21 3.15 2.43 -0.52 0.12 114.38 121.27 1ie0 h ARG 139 Ca 0.15 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 1ie0 h ARG 139 Cb 0.47 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1ie0 h ARG 139 CO 0.02 0.83 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.68 1ie0 h LEU 140 N 1.13 0.73 -0.61 3.80 -0.00 -1.05 -1.92 115.31 117.39 1ie0 h LEU 140 Ca 0.29 -0.40 -0.13 0.00 -0.00 0.00 0.00 57.88 57.64 1ie0 h LEU 140 Cb 0.03 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 1ie0 h LEU 140 CO -0.05 1.14 -0.30 0.24 -0.00 0.00 0.00 178.44 179.47 1ie0 h MET 141 N 0.50 0.78 -0.38 1.13 2.86 -0.70 -1.25 114.93 117.86 1ie0 h MET 141 Ca 0.01 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 1ie0 h MET 141 Cb 1.13 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 1ie0 h MET 141 CO 0.11 0.98 -0.10 0.00 1.06 0.00 0.00 176.91 178.95 1ie0 h ARG 142 N 0.66 0.66 -0.40 1.72 3.08 -0.66 -0.64 114.38 118.80 1ie0 h ARG 142 Ca 0.08 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1ie0 h ARG 142 Cb 0.83 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1ie0 h ARG 142 CO 0.07 0.75 0.26 0.35 -1.07 0.00 0.00 179.97 180.34 1ie0 h PHE 143 N 0.61 0.50 -0.32 3.04 3.57 -1.03 -2.04 116.94 121.26 1ie0 h PHE 143 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1ie0 h PHE 143 Cb 0.54 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1ie0 h PHE 143 CO 0.02 0.31 0.14 2.35 -2.23 0.00 0.00 178.31 178.90 1ie0 h TRP 144 N 0.54 0.48 0.00 0.41 2.91 -0.81 -2.84 115.95 116.64 1ie0 h TRP 144 Ca 0.15 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1ie0 h TRP 144 Cb -0.06 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.45 1ie0 h TRP 144 CO -0.05 0.45 0.00 -0.07 -1.03 0.00 0.00 178.44 177.74 1ie0 h LEU 145 N 0.38 0.00 -0.08 0.65 3.38 -0.97 -2.15 115.31 116.52 1ie0 h LEU 145 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ie0 h LEU 145 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ie0 h LEU 145 CO -0.01 0.00 -0.11 -1.54 0.09 0.00 0.00 178.44 176.87 1ie0 n SER 146 N -2.45 0.23 -4.88 -0.43 3.41 -0.78 -4.88 113.62 103.84 1ie0 n SER 146 Ca 0.01 -0.10 -0.30 0.00 -0.26 0.00 0.00 58.87 58.21 1ie0 n SER 146 Cb 0.20 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1ie0 n SER 146 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ie0 s GLN 147 N -2.74 3.77 0.33 4.33 -1.52 -0.81 -5.04 119.66 117.97 1ie0 s GLN 147 Ca 0.21 0.40 -0.26 0.00 -1.95 0.00 0.00 55.36 53.76 1ie0 s GLN 147 Cb 0.19 -2.45 -0.10 0.00 -0.22 0.00 0.00 33.01 30.44 1ie0 s GLN 147 CO 0.52 0.04 0.98 -0.51 -0.25 0.00 0.00 175.29 176.07 1ie0 s ASP 148 N -3.05 7.26 0.31 5.90 1.01 -1.26 -4.94 116.67 121.91 1ie0 s ASP 148 Ca 0.50 1.92 -0.01 0.00 0.71 0.00 0.00 52.55 55.68 1ie0 s ASP 148 Cb -0.10 -2.59 0.50 0.00 1.01 0.00 0.00 42.92 41.74 1ie0 s ASP 148 CO 0.29 -0.13 1.97 0.11 0.21 0.00 0.00 175.17 177.63 1ie0 h LYS 149 N 3.20 0.99 0.00 8.23 1.57 -1.97 -0.62 116.57 127.98 1ie0 h LYS 149 Ca -0.47 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 1ie0 h LYS 149 Cb 1.20 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1ie0 h LYS 149 CO 0.65 0.67 -0.14 1.05 -0.57 0.00 0.00 179.45 181.11 1ie0 h GLU 150 N 1.02 0.00 0.05 3.15 4.11 -1.99 -2.18 114.58 118.73 1ie0 h GLU 150 Ca 0.27 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.45 1ie0 h GLU 150 Cb -0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ie0 h GLU 150 CO -0.06 0.14 -1.07 0.93 0.07 0.00 0.00 179.01 179.02 1ie0 h GLU 151 N 0.00 0.46 0.00 1.06 4.39 -1.52 -3.08 114.58 115.88 1ie0 h GLU 151 Ca -0.00 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.13 1ie0 h GLU 151 Cb 0.25 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1ie0 h GLU 151 CO 0.02 1.20 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.94 1ie0 h LEU 152 N 0.23 0.00 -0.16 1.33 3.38 -0.76 -0.74 115.31 118.58 1ie0 h LEU 152 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ie0 h LEU 152 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1ie0 h LEU 152 CO 0.19 0.06 -0.22 0.18 0.09 0.00 0.00 178.44 178.74 1ie0 n LEU 153 N -3.85 0.47 -4.39 1.67 4.77 -0.93 -1.33 117.00 113.42 1ie0 n LEU 153 Ca -0.02 0.06 -0.45 0.00 -0.03 0.00 0.00 56.01 55.56 1ie0 n LEU 153 Cb 0.16 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1ie0 n LEU 153 CO 0.30 0.10 0.67 -0.54 -1.33 0.00 0.00 177.39 176.58 1ie0 s LYS 154 N -2.73 3.55 0.41 3.23 1.02 -0.29 -4.90 119.74 120.03 1ie0 s LYS 154 Ca 0.20 -2.04 0.08 0.00 0.02 0.00 0.00 55.97 54.23 1ie0 s LYS 154 Cb 0.19 -4.63 0.86 0.00 -0.52 0.00 0.00 37.83 33.73 1ie0 s LYS 154 CO 0.56 -1.53 2.04 0.28 -0.92 0.00 0.00 175.35 175.78 1ie0 h VAL 155 N 5.36 1.11 -0.26 3.17 2.07 -1.81 -1.98 116.25 123.90 1ie0 h VAL 155 Ca 0.09 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1ie0 h VAL 155 Cb 1.04 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1ie0 h VAL 155 CO 0.94 0.12 -0.01 0.49 0.02 0.00 0.00 177.57 179.13 1ie0 n PHE 156 N -4.45 0.92 -0.80 1.57 3.01 -1.26 -0.62 117.46 115.83 1ie0 n PHE 156 Ca 0.02 -1.03 0.00 0.00 1.01 0.00 0.00 57.45 57.45 1ie0 n PHE 156 Cb 0.09 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1ie0 n PHE 156 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18