#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1icm n PHE 2 N 0.00 0.37 -1.62 0.00 3.72 -1.26 -4.94 117.46 113.73 1icm n PHE 2 Ca 0.00 0.11 -0.48 0.00 -0.05 0.00 0.00 57.45 57.03 1icm n PHE 2 Cb 0.00 -0.59 -0.04 0.00 -0.94 0.00 0.00 39.48 37.91 1icm n PHE 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1icm n ASP 3 N -1.85 1.99 0.00 4.37 8.00 -1.26 -4.67 116.55 123.13 1icm n ASP 3 Ca 0.05 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1icm n ASP 3 Cb 0.39 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1icm n ASP 3 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1icm n GLY 4 N 2.33 1.64 3.56 0.44 0.00 -0.76 -4.95 105.19 107.46 1icm n GLY 4 Ca 0.15 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 1icm n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1icm s THR 5 N -1.34 4.42 -0.02 2.61 2.01 -1.26 -1.04 115.64 121.02 1icm s THR 5 Ca 0.00 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1icm s THR 5 Cb 0.00 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 1icm s THR 5 CO 0.00 0.46 -0.18 0.26 -0.69 0.00 0.00 174.62 174.47 1icm s TRP 6 N 0.53 1.61 -0.07 4.92 0.52 0.64 -1.90 118.94 125.18 1icm s TRP 6 Ca 0.01 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 55.84 1icm s TRP 6 Cb -0.13 -1.04 0.01 0.00 -1.15 0.00 0.00 33.47 31.15 1icm s TRP 6 CO 0.02 -0.04 -0.17 0.21 0.02 0.00 0.00 176.95 176.98 1icm s LYS 7 N -0.38 2.16 0.38 4.98 2.47 -0.58 -0.59 119.74 128.19 1icm s LYS 7 Ca 0.06 -0.61 -0.27 0.00 -1.56 0.00 0.00 55.97 53.59 1icm s LYS 7 Cb -0.07 -1.73 -0.11 0.00 -1.46 0.00 0.00 37.83 34.46 1icm s LYS 7 CO -0.00 0.12 1.42 1.55 0.16 0.00 0.00 175.35 178.59 1icm n VAL 8 N 3.58 2.13 -0.02 4.02 3.14 -0.56 -0.98 118.33 129.65 1icm n VAL 8 Ca -0.21 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 60.63 1icm n VAL 8 Cb 0.52 -1.83 -0.02 0.00 -1.06 0.00 0.00 33.84 31.45 1icm n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1icm n ASP 9 N 0.43 1.58 -3.74 6.55 2.03 0.46 -4.81 116.55 119.06 1icm n ASP 9 Ca 0.03 0.03 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 1icm n ASP 9 Cb 0.38 -0.11 -0.05 0.00 -0.72 0.00 0.00 41.12 40.62 1icm n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1icm s ARG 10 N -2.09 1.18 0.21 -0.67 1.70 -1.11 -5.03 118.95 113.14 1icm s ARG 10 Ca -0.06 -0.86 0.07 0.00 -0.47 0.00 0.00 55.73 54.41 1icm s ARG 10 Cb 0.02 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 1icm s ARG 10 CO 0.09 -0.47 -0.13 -0.80 -1.08 0.00 0.00 175.30 172.91 1icm s ASN 11 N -2.86 2.53 -0.08 -2.89 0.01 -1.26 -0.92 114.94 109.46 1icm s ASN 11 Ca 0.08 -1.04 -0.00 0.00 -0.71 0.00 0.00 52.86 51.18 1icm s ASN 11 Cb 0.01 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.57 1icm s ASN 11 CO -0.07 -0.21 -0.04 -1.61 -1.51 0.00 0.00 177.10 173.66 1icm s GLU 12 N -3.67 1.02 -1.29 -0.60 2.02 0.66 -4.82 118.70 112.02 1icm s GLU 12 Ca 0.23 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1icm s GLU 12 Cb 0.00 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 33.05 1icm s GLU 12 CO 0.07 -0.23 0.00 -1.71 0.02 0.00 0.00 175.26 173.41 1icm n ASN 13 N 4.81 -4.06 -0.09 -0.19 5.15 -1.26 -1.49 115.26 118.13 1icm n ASN 13 Ca -0.13 0.22 -0.08 0.00 -0.60 0.00 0.00 54.58 54.00 1icm n ASN 13 Cb 0.50 -3.54 0.09 0.00 -0.53 0.00 0.00 39.78 36.30 1icm n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1icm h TYR 14 N 0.00 0.89 -0.57 1.20 3.20 -1.88 -2.47 116.97 117.34 1icm h TYR 14 Ca -0.31 -0.20 -0.10 0.00 3.14 0.00 0.00 58.73 61.25 1icm h TYR 14 Cb 1.12 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1icm h TYR 14 CO 0.57 0.92 -0.05 0.93 -1.64 0.00 0.00 178.16 178.89 1icm h GLU 15 N 0.69 1.04 -0.68 1.82 5.08 -1.92 -0.10 114.58 120.50 1icm h GLU 15 Ca 0.10 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1icm h GLU 15 Cb 0.72 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1icm h GLU 15 CO 0.06 1.05 0.25 0.87 -1.00 0.00 0.00 179.01 180.23 1icm h LYS 16 N 0.92 1.03 -0.52 2.33 1.79 -1.96 -0.71 116.57 119.45 1icm h LYS 16 Ca 0.15 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1icm h LYS 16 Cb 0.62 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1icm h LYS 16 CO 0.04 0.85 0.22 0.35 -1.08 0.00 0.00 179.45 179.84 1icm h PHE 17 N 1.00 0.78 -0.25 -1.35 3.04 -1.15 -2.15 116.94 116.86 1icm h PHE 17 Ca 0.23 -0.05 -0.08 0.00 3.98 0.00 0.00 57.97 62.04 1icm h PHE 17 Cb 0.23 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1icm h PHE 17 CO 0.02 0.63 -0.21 0.52 -2.02 0.00 0.00 178.31 177.25 1icm h MET 18 N 0.70 0.45 -0.61 1.11 2.86 -0.45 -2.72 114.93 116.27 1icm h MET 18 Ca 0.18 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1icm h MET 18 Cb 0.17 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1icm h MET 18 CO -0.02 0.64 0.40 1.49 1.06 0.00 0.00 176.91 180.48 1icm h GLU 19 N 0.40 0.79 -0.59 1.72 4.81 -0.77 -1.55 114.58 119.41 1icm h GLU 19 Ca 0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1icm h GLU 19 Cb 0.59 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1icm h GLU 19 CO 0.04 0.52 0.38 -0.22 -0.73 0.00 0.00 179.01 179.01 1icm h LYS 20 N 0.82 0.78 0.00 1.92 1.63 -1.10 -1.54 116.57 119.08 1icm h LYS 20 Ca 0.23 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1icm h LYS 20 Cb -0.08 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.37 1icm h LYS 20 CO -0.05 0.52 0.00 -1.33 -3.45 0.00 0.00 179.45 175.14 1icm n MET 21 N -4.44 0.19 0.00 1.90 2.81 -0.99 -4.89 117.12 111.70 1icm n MET 21 Ca 0.06 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1icm n MET 21 Cb 0.05 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.73 1icm n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1icm n GLY 22 N 0.27 1.03 3.75 3.03 0.00 -0.58 -5.09 105.19 107.60 1icm n GLY 22 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1icm n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1icm s ILE 23 N -2.00 4.85 0.77 -0.61 1.09 -0.62 -5.02 121.20 119.66 1icm s ILE 23 Ca 0.00 1.43 -0.13 0.00 -1.10 0.00 0.00 60.65 60.85 1icm s ILE 23 Cb 0.00 -4.02 0.06 0.00 -1.06 0.00 0.00 42.46 37.44 1icm s ILE 23 CO 0.00 0.37 1.16 0.54 -0.10 0.00 0.00 174.94 176.91 1icm s ASN 24 N -0.01 4.10 0.24 3.58 2.20 -1.26 -4.41 114.94 119.39 1icm s ASN 24 Ca 0.35 2.18 -0.07 0.00 -0.94 0.00 0.00 52.86 54.38 1icm s ASN 24 Cb -0.19 -2.57 0.44 0.00 -2.00 0.00 0.00 41.25 36.93 1icm s ASN 24 CO 0.20 -2.31 1.65 1.62 -2.94 0.00 0.00 177.10 175.31 1icm h VAL 25 N -0.72 0.38 -0.41 3.54 3.04 -2.00 -0.93 116.25 119.15 1icm h VAL 25 Ca -0.46 -0.05 -0.05 0.00 -1.01 0.00 0.00 66.70 65.14 1icm h VAL 25 Cb 1.27 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 1icm h VAL 25 CO 0.49 0.02 0.07 0.58 -1.01 0.00 0.00 177.57 177.73 1icm h VAL 26 N 0.13 1.24 0.00 1.51 2.07 -2.01 -2.61 116.25 116.58 1icm h VAL 26 Ca 0.41 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1icm h VAL 26 Cb 0.72 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1icm h VAL 26 CO -0.62 0.29 -0.26 0.11 0.02 0.00 0.00 177.57 177.11 1icm h LYS 27 N 0.52 0.00 -0.36 1.57 1.79 -1.78 -2.12 116.57 116.20 1icm h LYS 27 Ca 0.12 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.51 1icm h LYS 27 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1icm h LYS 27 CO 0.01 0.26 -0.11 0.00 -1.08 0.00 0.00 179.45 178.53 1icm h ARG 28 N 0.00 0.71 -0.70 3.15 3.08 -0.86 0.11 114.38 119.87 1icm h ARG 28 Ca -0.00 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1icm h ARG 28 Cb 0.54 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1icm h ARG 28 CO 0.03 0.88 0.34 0.87 -1.07 0.00 0.00 179.97 181.02 1icm h LYS 29 N 0.50 0.99 -0.28 0.04 1.79 -1.09 -1.21 116.57 117.31 1icm h LYS 29 Ca 0.09 -0.13 -0.17 0.00 -2.18 0.00 0.00 60.65 58.26 1icm h LYS 29 Cb 0.63 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1icm h LYS 29 CO 0.04 0.76 -0.50 -0.07 -1.08 0.00 0.00 179.45 178.60 1icm h LEU 30 N 0.99 0.86 -1.22 2.94 3.38 -1.17 -3.19 115.31 117.91 1icm h LEU 30 Ca 0.24 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1icm h LEU 30 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1icm h LEU 30 CO -0.03 1.21 0.40 1.23 0.09 0.00 0.00 178.44 181.34 1icm h GLY 31 N 0.84 1.00 1.82 0.83 0.00 -0.35 -2.49 103.07 104.71 1icm h GLY 31 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1icm h GLY 31 CO 0.11 0.41 0.00 0.00 0.00 0.00 0.00 176.54 177.05 1icm n ALA 32 N -2.43 2.03 -2.64 3.60 0.00 -0.50 -3.00 120.51 117.58 1icm n ALA 32 Ca 0.07 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1icm n ALA 32 Cb 0.08 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1icm n ALA 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1icm n HIS 33 N -1.41 1.80 1.57 0.00 -0.00 -0.95 -4.92 115.22 111.31 1icm n HIS 33 Ca 0.07 -2.95 0.14 0.00 -0.00 0.00 0.00 57.72 54.99 1icm n HIS 33 Cb 0.21 -0.30 0.64 0.00 -0.00 0.00 0.00 29.99 30.54 1icm n HIS 33 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1icm n ASP 34 N -0.17 0.79 -3.56 0.41 5.75 -1.15 -4.92 116.55 113.70 1icm n ASP 34 Ca 0.18 -1.05 -0.26 0.00 -0.01 0.00 0.00 54.79 53.65 1icm n ASP 34 Cb 0.76 -0.01 0.02 0.00 -1.03 0.00 0.00 41.12 40.86 1icm n ASP 34 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1icm n ASN 35 N -0.51 -4.82 -4.76 -1.12 3.02 -1.26 -0.59 115.26 105.22 1icm n ASN 35 Ca 0.18 -0.55 -0.41 0.00 -0.03 0.00 0.00 54.58 53.77 1icm n ASN 35 Cb 0.27 -3.88 -0.02 0.00 -0.61 0.00 0.00 39.78 35.53 1icm n ASN 35 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1icm s LEU 36 N -6.93 4.42 -0.02 3.41 2.96 -1.26 -4.59 118.68 116.67 1icm s LEU 36 Ca 0.51 2.65 0.02 0.00 -0.22 0.00 0.00 54.13 57.09 1icm s LEU 36 Cb -0.26 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.80 1icm s LEU 36 CO 0.63 -0.57 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.28 1icm s LYS 37 N -1.27 0.65 -0.03 1.98 2.20 -0.16 -1.50 119.74 121.61 1icm s LYS 37 Ca 0.52 -0.18 0.05 0.00 -0.36 0.00 0.00 55.97 56.00 1icm s LYS 37 Cb -0.40 -0.64 -0.01 0.00 -1.51 0.00 0.00 37.83 35.27 1icm s LYS 37 CO 0.49 0.05 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.83 1icm s LEU 38 N 0.27 1.99 -0.23 5.43 1.43 0.25 -1.21 118.68 126.61 1icm s LEU 38 Ca -0.03 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1icm s LEU 38 Cb -0.07 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.11 1icm s LEU 38 CO -0.00 0.21 -0.11 -0.89 0.23 0.00 0.00 176.35 175.79 1icm s THR 39 N -0.20 2.49 -0.17 5.49 2.01 -0.42 -0.26 115.64 124.58 1icm s THR 39 Ca 0.01 -1.15 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 1icm s THR 39 Cb -0.10 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1icm s THR 39 CO 0.01 0.23 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.52 1icm s ILE 40 N 1.26 3.89 0.02 1.82 1.01 -0.20 -1.06 121.20 127.93 1icm s ILE 40 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1icm s ILE 40 Cb -0.16 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1icm s ILE 40 CO -0.07 0.48 -0.04 0.42 0.00 0.00 0.00 174.94 175.73 1icm s THR 41 N 0.54 0.24 0.10 2.92 -4.23 -0.48 -1.82 115.64 112.91 1icm s THR 41 Ca -0.03 -0.59 0.09 0.00 -1.18 0.00 0.00 61.69 59.98 1icm s THR 41 Cb -0.14 -0.29 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 1icm s THR 41 CO 0.03 -0.23 -0.18 -1.58 -0.54 0.00 0.00 174.62 172.11 1icm s GLN 42 N -0.87 1.82 -0.36 3.99 0.74 -1.26 -0.86 119.66 122.86 1icm s GLN 42 Ca -0.07 -1.15 0.03 0.00 0.05 0.00 0.00 55.36 54.21 1icm s GLN 42 Cb -0.06 -2.12 0.15 0.00 1.10 0.00 0.00 33.01 32.09 1icm s GLN 42 CO -0.00 0.49 0.37 -2.00 -0.55 0.00 0.00 175.29 173.60 1icm s GLU 43 N -2.01 0.59 7.79 1.67 2.12 -0.25 -5.01 118.70 123.60 1icm s GLU 43 Ca 0.17 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1icm s GLU 43 Cb -0.11 -0.68 0.00 0.00 0.26 0.00 0.00 34.13 33.60 1icm s GLU 43 CO 0.09 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.06 1icm n GLY 44 N 4.45 2.86 0.35 -1.50 0.00 -1.26 -1.67 105.19 108.42 1icm n GLY 44 Ca 0.09 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1icm n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1icm n ASN 45 N 8.52 1.29 -4.64 1.61 4.05 -1.26 -4.90 115.26 119.92 1icm n ASN 45 Ca 0.00 -1.13 -0.35 0.00 0.45 0.00 0.00 54.58 53.55 1icm n ASN 45 Cb 0.00 0.12 -0.10 0.00 1.23 0.00 0.00 39.78 41.03 1icm n ASN 45 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1icm s LYS 46 N -2.35 3.04 0.09 1.20 1.02 -0.67 -1.50 119.74 120.57 1icm s LYS 46 Ca 0.27 -0.44 0.08 0.00 0.02 0.00 0.00 55.97 55.90 1icm s LYS 46 Cb 0.20 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1icm s LYS 46 CO 0.47 0.64 -0.17 -0.06 -0.92 0.00 0.00 175.35 175.31 1icm s PHE 47 N -0.70 2.58 -0.13 3.18 0.40 0.51 -1.09 117.98 122.71 1icm s PHE 47 Ca 0.11 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1icm s PHE 47 Cb -0.12 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.03 1icm s PHE 47 CO 0.02 0.35 -0.14 0.99 0.70 0.00 0.00 175.22 177.14 1icm s THR 48 N -1.08 1.53 -0.20 0.64 2.01 -0.04 -1.55 115.64 116.94 1icm s THR 48 Ca 0.17 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1icm s THR 48 Cb -0.11 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.00 1icm s THR 48 CO 0.09 0.45 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 1icm s VAL 49 N 1.33 2.31 -0.33 3.82 1.01 0.36 -1.39 120.40 127.52 1icm s VAL 49 Ca 0.01 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1icm s VAL 49 Cb -0.13 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1icm s VAL 49 CO -0.08 0.40 0.30 -0.54 0.00 0.00 0.00 175.10 175.18 1icm s LYS 50 N 1.28 3.63 -0.19 2.72 1.02 -0.23 -0.23 119.74 127.74 1icm s LYS 50 Ca 0.02 -0.44 -0.08 0.00 0.02 0.00 0.00 55.97 55.49 1icm s LYS 50 Cb -0.15 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 1icm s LYS 50 CO -0.10 -0.43 0.09 -2.00 -0.92 0.00 0.00 175.35 171.99 1icm s GLU 51 N 1.89 4.03 -0.05 1.68 2.12 0.36 -1.30 118.70 127.43 1icm s GLU 51 Ca 0.09 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1icm s GLU 51 Cb -0.17 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.96 1icm s GLU 51 CO 0.11 0.26 -0.03 0.45 -0.54 0.00 0.00 175.26 175.51 1icm s SER 52 N 0.44 1.02 0.34 -1.70 0.15 -0.35 -1.11 113.70 112.49 1icm s SER 52 Ca 0.05 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.54 1icm s SER 52 Cb -0.12 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.79 1icm s SER 52 CO -0.00 -0.09 0.53 -1.54 1.20 0.00 0.00 173.24 173.34 1icm n SER 53 N 4.29 -1.49 0.28 5.45 3.41 0.30 -0.98 113.62 124.88 1icm n SER 53 Ca -0.21 -2.70 0.14 0.00 -0.26 0.00 0.00 58.87 55.84 1icm n SER 53 Cb 0.51 2.68 0.83 0.00 -0.26 0.00 0.00 64.21 67.96 1icm n SER 53 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1icm h ASN 54 N 1.84 0.00 0.36 4.04 2.35 -1.11 -2.94 115.58 120.12 1icm h ASN 54 Ca -0.27 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.16 1icm h ASN 54 Cb 1.12 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.50 1icm h ASN 54 CO 0.36 0.06 -1.53 -0.26 -1.65 0.00 0.00 177.43 174.41 1icm h PHE 55 N 0.00 0.68 -2.32 1.19 0.04 -1.95 -3.50 116.94 111.08 1icm h PHE 55 Ca -0.00 -0.50 0.20 0.00 2.80 0.00 0.00 57.97 60.47 1icm h PHE 55 Cb 0.18 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 1icm h PHE 55 CO 0.00 1.49 0.63 2.89 -0.60 0.00 0.00 178.31 182.72 1icm n ARG 56 N -3.57 0.44 -3.52 1.51 1.85 -1.11 -5.13 116.66 107.12 1icm n ARG 56 Ca -0.17 -1.11 -0.20 0.00 -1.00 0.00 0.00 57.85 55.36 1icm n ARG 56 Cb 1.07 1.58 -0.14 0.00 -1.05 0.00 0.00 32.46 33.92 1icm n ARG 56 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1icm s ASN 57 N -3.32 1.54 0.09 2.89 -0.87 -1.26 -0.54 114.94 113.47 1icm s ASN 57 Ca 0.23 -0.27 -0.06 0.00 -1.57 0.00 0.00 52.86 51.18 1icm s ASN 57 Cb -0.02 0.25 -0.01 0.00 -0.02 0.00 0.00 41.25 41.45 1icm s ASN 57 CO 0.03 -0.33 0.14 0.27 -2.57 0.00 0.00 177.10 174.64 1icm s ILE 58 N 2.29 0.15 -0.09 0.60 -4.36 -0.27 -5.00 121.20 114.52 1icm s ILE 58 Ca 0.06 -1.40 -0.07 0.00 -0.26 0.00 0.00 60.65 58.97 1icm s ILE 58 Cb -0.16 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 1icm s ILE 58 CO -0.11 -0.69 0.17 -1.81 0.24 0.00 0.00 174.94 172.75 1icm s ASP 59 N -2.90 6.43 -0.16 4.36 1.11 -1.26 -0.49 116.67 123.76 1icm s ASP 59 Ca 0.08 0.50 0.01 0.00 0.18 0.00 0.00 52.55 53.32 1icm s ASP 59 Cb 0.06 -2.08 0.02 0.00 1.07 0.00 0.00 42.92 41.99 1icm s ASP 59 CO -0.09 0.38 -0.16 -0.69 1.18 0.00 0.00 175.17 175.79 1icm s VAL 60 N -1.08 1.75 -0.11 -1.27 1.01 0.68 -4.98 120.40 116.41 1icm s VAL 60 Ca 0.18 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1icm s VAL 60 Cb -0.13 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1icm s VAL 60 CO 0.07 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.78 1icm s VAL 61 N 1.38 2.56 0.02 2.92 1.01 -1.26 -0.48 120.40 126.55 1icm s VAL 61 Ca 0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1icm s VAL 61 Cb -0.13 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1icm s VAL 61 CO -0.11 0.55 0.13 0.72 0.00 0.00 0.00 175.10 176.38 1icm s PHE 62 N 0.25 0.10 -0.15 5.22 -0.12 -0.59 -5.00 117.98 117.70 1icm s PHE 62 Ca -0.13 -0.29 -0.04 0.00 -0.05 0.00 0.00 56.93 56.42 1icm s PHE 62 Cb -0.16 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.11 1icm s PHE 62 CO 0.07 -0.33 -0.00 -2.00 -0.05 0.00 0.00 175.22 172.90 1icm s GLU 63 N -1.98 3.59 0.26 1.99 2.12 -1.26 -0.37 118.70 123.06 1icm s GLU 63 Ca -0.10 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 1icm s GLU 63 Cb -0.04 -2.96 -0.14 0.00 0.26 0.00 0.00 34.13 31.25 1icm s GLU 63 CO -0.01 0.36 1.27 1.28 -0.54 0.00 0.00 175.26 177.61 1icm n LEU 64 N 3.21 2.73 0.00 2.70 4.77 -0.56 -2.10 117.00 127.76 1icm n LEU 64 Ca -0.17 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 1icm n LEU 64 Cb 0.53 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1icm n LEU 64 CO 0.32 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1icm n GLY 65 N 1.62 0.84 3.34 -0.72 0.00 0.42 -5.00 105.19 105.69 1icm n GLY 65 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1icm n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1icm s VAL 66 N -3.32 3.08 0.60 1.61 1.01 -0.89 -5.01 120.40 117.48 1icm s VAL 66 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1icm s VAL 66 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1icm s VAL 66 CO 0.00 0.50 1.07 1.51 0.00 0.00 0.00 175.10 178.18 1icm s ASP 67 N 0.67 5.69 0.23 3.32 1.47 -1.26 -4.61 116.67 122.18 1icm s ASP 67 Ca -0.06 1.84 -0.09 0.00 1.18 0.00 0.00 52.55 55.42 1icm s ASP 67 Cb -0.15 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 39.88 1icm s ASP 67 CO 0.02 -1.23 0.36 0.72 0.68 0.00 0.00 175.17 175.73 1icm s PHE 68 N -2.43 0.60 -0.07 2.11 -0.71 -0.01 -4.94 117.98 112.53 1icm s PHE 68 Ca 0.64 -0.92 0.01 0.00 -1.04 0.00 0.00 56.93 55.62 1icm s PHE 68 Cb -0.17 -0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 1icm s PHE 68 CO 0.37 -0.87 -0.07 0.00 -1.34 0.00 0.00 175.22 173.32 1icm s ALA 69 N -4.06 3.00 -0.01 1.99 0.00 -1.26 -1.57 121.76 119.86 1icm s ALA 69 Ca 0.27 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1icm s ALA 69 Cb 0.02 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1icm s ALA 69 CO 0.09 0.58 -0.01 -0.47 0.00 0.00 0.00 175.76 175.95 1icm s TYR 70 N -0.82 0.13 -0.01 0.00 5.04 -0.61 -5.01 117.35 116.08 1icm s TYR 70 Ca 0.13 -0.00 0.04 0.00 -2.44 0.00 0.00 57.07 54.79 1icm s TYR 70 Cb -0.11 -0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.04 1icm s TYR 70 CO 0.02 -0.03 -0.10 -1.12 -1.34 0.00 0.00 175.55 172.98 1icm s SER 71 N 0.20 4.36 0.80 4.32 0.01 -1.26 -1.22 113.70 120.92 1icm s SER 71 Ca -0.02 -0.19 -0.12 0.00 1.31 0.00 0.00 55.95 56.94 1icm s SER 71 Cb -0.03 -0.96 0.07 0.00 0.21 0.00 0.00 66.02 65.31 1icm s SER 71 CO -0.01 0.30 1.11 -0.76 0.41 0.00 0.00 173.24 174.29 1icm s LEU 72 N -1.20 2.54 0.44 2.44 1.43 -0.44 -4.89 118.68 119.00 1icm s LEU 72 Ca 0.15 1.22 0.16 0.00 -1.03 0.00 0.00 54.13 54.63 1icm s LEU 72 Cb -0.11 -3.80 1.08 0.00 0.03 0.00 0.00 46.19 43.39 1icm s LEU 72 CO 0.05 -1.98 1.93 0.00 0.23 0.00 0.00 176.35 176.57 1icm h ALA 73 N -1.10 2.14 -0.08 4.21 0.00 -2.00 0.17 119.26 122.61 1icm h ALA 73 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1icm h ALA 73 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1icm h ALA 73 CO 0.60 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.12 1icm n ASP 74 N -4.47 0.76 0.00 0.00 5.75 -1.26 -4.94 116.55 112.39 1icm n ASP 74 Ca 0.14 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1icm n ASP 74 Cb 0.53 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1icm n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1icm n GLY 75 N 0.94 1.62 3.66 6.12 0.00 0.05 -5.04 105.19 112.54 1icm n GLY 75 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1icm n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1icm s THR 76 N -2.33 3.08 0.00 2.61 2.01 -1.26 -4.70 115.64 115.05 1icm s THR 76 Ca 0.00 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.99 1icm s THR 76 Cb 0.00 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.35 1icm s THR 76 CO 0.00 -0.01 0.47 -1.61 -0.69 0.00 0.00 174.62 172.78 1icm s GLU 77 N 4.21 4.08 0.18 4.92 2.02 -1.26 -1.33 118.70 131.51 1icm s GLU 77 Ca 0.85 0.52 0.07 0.00 0.02 0.00 0.00 54.97 56.43 1icm s GLU 77 Cb -0.41 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1icm s GLU 77 CO 0.39 0.59 -0.14 -0.51 0.02 0.00 0.00 175.26 175.61 1icm s LEU 78 N -0.80 2.53 0.01 1.80 1.43 -0.35 -1.15 118.68 122.14 1icm s LEU 78 Ca 0.26 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1icm s LEU 78 Cb -0.17 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 1icm s LEU 78 CO 0.15 -0.19 -0.02 0.42 0.23 0.00 0.00 176.35 176.93 1icm s THR 79 N -2.89 0.13 -1.03 5.49 -4.23 -0.63 -1.57 115.64 110.91 1icm s THR 79 Ca 0.19 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1icm s THR 79 Cb -0.01 -0.18 0.00 0.00 1.34 0.00 0.00 72.50 73.65 1icm s THR 79 CO 0.05 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1icm n GLY 80 N 2.40 -0.88 3.14 3.99 0.00 -0.61 -1.62 105.19 111.61 1icm n GLY 80 Ca -0.17 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1icm n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1icm s THR 81 N -3.00 0.11 0.01 2.61 -4.23 -0.85 -0.83 115.64 109.47 1icm s THR 81 Ca 0.00 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1icm s THR 81 Cb 0.00 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 1icm s THR 81 CO 0.00 -0.51 -0.07 0.26 -0.54 0.00 0.00 174.62 173.75 1icm s TRP 82 N -2.31 2.87 0.04 3.99 0.52 -1.26 -1.42 118.94 121.38 1icm s TRP 82 Ca -0.07 -0.05 -0.00 0.00 0.02 0.00 0.00 56.10 55.99 1icm s TRP 82 Cb -0.03 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 1icm s TRP 82 CO -0.03 0.37 -0.03 0.95 0.02 0.00 0.00 176.95 178.23 1icm s THR 83 N -1.01 0.20 -0.25 2.01 -4.23 0.02 -0.44 115.64 111.94 1icm s THR 83 Ca 0.17 -1.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.08 1icm s THR 83 Cb -0.11 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 1icm s THR 83 CO 0.08 -0.76 0.56 -0.32 -0.54 0.00 0.00 174.62 173.64 1icm s MET 84 N -2.80 4.10 -0.31 3.99 1.75 -1.26 -1.08 119.30 123.69 1icm s MET 84 Ca -0.03 0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.86 1icm s MET 84 Cb -0.00 -3.64 0.08 0.00 2.84 0.00 0.00 34.83 34.11 1icm s MET 84 CO -0.06 -0.35 -0.00 -1.21 -0.65 0.00 0.00 175.02 172.76 1icm s GLU 85 N 2.29 1.95 7.52 4.11 8.01 0.19 -4.98 118.70 137.79 1icm s GLU 85 Ca 0.24 -1.59 0.00 0.00 0.01 0.00 0.00 54.97 53.62 1icm s GLU 85 Cb -0.16 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.54 1icm s GLU 85 CO 0.09 -0.77 0.00 0.41 0.01 0.00 0.00 175.26 175.00 1icm n GLY 86 N 4.40 2.76 0.49 -1.39 0.00 -1.26 -1.26 105.19 108.94 1icm n GLY 86 Ca -0.06 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1icm n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1icm n ASN 87 N 7.19 1.92 -4.95 1.61 3.02 -1.26 -4.97 115.26 117.82 1icm n ASN 87 Ca 0.00 -1.44 -0.22 0.00 -0.03 0.00 0.00 54.58 52.88 1icm n ASN 87 Cb 0.00 0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1icm n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1icm s LYS 88 N -2.42 3.39 -0.19 3.52 1.02 -0.39 -4.80 119.74 119.87 1icm s LYS 88 Ca 0.21 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.39 1icm s LYS 88 Cb 0.19 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1icm s LYS 88 CO 0.53 0.45 0.06 -0.51 -0.92 0.00 0.00 175.35 174.97 1icm s LEU 89 N -3.76 3.74 -0.15 3.17 1.43 -0.74 0.53 118.68 122.91 1icm s LEU 89 Ca 0.34 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1icm s LEU 89 Cb -0.09 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1icm s LEU 89 CO 0.28 0.13 -0.16 -0.69 0.23 0.00 0.00 176.35 176.14 1icm s VAL 90 N 0.61 2.55 -0.17 -1.59 1.01 -0.24 -1.30 120.40 121.28 1icm s VAL 90 Ca 0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1icm s VAL 90 Cb -0.13 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1icm s VAL 90 CO 0.01 0.52 -0.11 -0.83 0.00 0.00 0.00 175.10 174.69 1icm s GLY 91 N 0.84 1.54 -0.31 4.51 0.00 0.26 -0.80 107.32 113.35 1icm s GLY 91 Ca -0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 1icm s GLY 91 CO -0.01 0.08 0.04 0.54 0.00 0.00 0.00 173.10 173.75 1icm s LYS 92 N 0.85 2.56 0.27 2.90 1.02 -0.50 -0.62 119.74 126.22 1icm s LYS 92 Ca -0.03 -1.19 0.07 0.00 0.02 0.00 0.00 55.97 54.83 1icm s LYS 92 Cb -0.15 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 1icm s LYS 92 CO 0.00 -0.61 -0.08 -0.06 -0.92 0.00 0.00 175.35 173.68 1icm s PHE 93 N 1.33 1.93 -0.00 3.18 0.08 -0.10 -2.01 117.98 122.39 1icm s PHE 93 Ca -0.03 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1icm s PHE 93 Cb -0.19 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 1icm s PHE 93 CO 0.00 0.31 -0.00 0.21 -0.10 0.00 0.00 175.22 175.64 1icm s LYS 94 N -3.71 0.07 0.01 0.44 2.47 -0.64 -0.79 119.74 117.59 1icm s LYS 94 Ca 0.28 0.00 -0.30 0.00 -1.56 0.00 0.00 55.97 54.39 1icm s LYS 94 Cb 0.03 -0.11 -0.04 0.00 -1.46 0.00 0.00 37.83 36.25 1icm s LYS 94 CO 0.11 -0.01 1.17 1.03 0.16 0.00 0.00 175.35 177.81 1icm s ARG 95 N 0.16 4.42 0.45 4.03 0.52 -0.56 -1.60 118.95 126.36 1icm s ARG 95 Ca -0.01 1.68 0.25 0.00 -0.52 0.00 0.00 55.73 57.12 1icm s ARG 95 Cb -0.02 -3.44 0.93 0.00 0.52 0.00 0.00 34.95 32.93 1icm s ARG 95 CO -0.00 -0.30 1.83 0.28 0.02 0.00 0.00 175.30 177.12 1icm h VAL 96 N 4.75 0.48 0.49 3.52 2.07 -1.48 -0.56 116.25 125.51 1icm h VAL 96 Ca -0.39 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1icm h VAL 96 Cb 1.19 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1icm h VAL 96 CO 0.83 0.20 -0.23 -2.24 0.02 0.00 0.00 177.57 176.14 1icm h ASP 97 N 0.00 -0.55 0.05 0.57 2.03 -1.92 -3.38 116.42 113.22 1icm h ASP 97 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1icm h ASP 97 Cb 0.75 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 1icm h ASP 97 CO 0.03 -0.13 -0.39 -0.46 -1.03 0.00 0.00 179.24 177.25 1icm n ASN 98 N -5.21 1.81 -0.02 4.15 2.04 -1.25 -5.00 115.26 111.78 1icm n ASN 98 Ca -0.08 -1.38 -0.00 0.00 -0.44 0.00 0.00 54.58 52.67 1icm n ASN 98 Cb 0.26 0.36 -0.00 0.00 -2.53 0.00 0.00 39.78 37.87 1icm n ASN 98 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1icm n GLY 99 N 1.39 0.18 3.80 4.83 0.00 -0.22 -4.98 105.19 110.20 1icm n GLY 99 Ca 0.10 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1icm n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1icm s LYS 100 N -1.43 4.19 0.11 1.61 1.02 -1.26 -4.70 119.74 119.28 1icm s LYS 100 Ca 0.00 1.25 -0.21 0.00 0.02 0.00 0.00 55.97 57.03 1icm s LYS 100 Cb 0.00 -2.31 -0.07 0.00 -0.52 0.00 0.00 37.83 34.93 1icm s LYS 100 CO 0.00 -0.08 0.64 -2.00 -0.92 0.00 0.00 175.35 172.99 1icm s GLU 101 N -2.92 4.31 -0.07 1.68 2.12 -1.26 -1.50 118.70 121.06 1icm s GLU 101 Ca 0.61 0.87 -0.00 0.00 0.36 0.00 0.00 54.97 56.80 1icm s GLU 101 Cb -0.14 -3.23 0.03 0.00 0.26 0.00 0.00 34.13 31.05 1icm s GLU 101 CO 0.18 0.61 -0.03 -1.17 -0.54 0.00 0.00 175.26 174.31 1icm s LEU 102 N -1.17 0.95 -0.06 2.70 0.20 0.03 -4.41 118.68 116.91 1icm s LEU 102 Ca 0.32 -0.13 -0.01 0.00 0.69 0.00 0.00 54.13 55.00 1icm s LEU 102 Cb -0.20 -0.49 -0.03 0.00 -0.43 0.00 0.00 46.19 45.03 1icm s LEU 102 CO 0.21 -0.13 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.50 1icm s ILE 103 N 1.52 4.14 0.03 6.68 -1.09 -0.99 -0.92 121.20 130.57 1icm s ILE 103 Ca -0.01 -0.37 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 1icm s ILE 103 Cb -0.13 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.98 1icm s ILE 103 CO -0.03 0.56 -0.09 0.00 -1.23 0.00 0.00 174.94 174.14 1icm s ALA 104 N -0.91 0.74 -0.01 9.38 0.00 0.21 -1.69 121.76 129.48 1icm s ALA 104 Ca 0.14 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1icm s ALA 104 Cb -0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1icm s ALA 104 CO 0.04 0.09 -0.10 0.08 0.00 0.00 0.00 175.76 175.88 1icm s VAL 105 N -0.87 0.78 -0.13 0.00 1.01 -0.06 0.89 120.40 122.03 1icm s VAL 105 Ca -0.03 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1icm s VAL 105 Cb -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1icm s VAL 105 CO 0.01 0.23 -0.23 -0.13 0.00 0.00 0.00 175.10 174.98 1icm s ARG 106 N -0.09 3.01 -0.00 2.72 0.52 -0.42 -0.73 118.95 123.96 1icm s ARG 106 Ca 0.01 -0.86 -0.12 0.00 -0.52 0.00 0.00 55.73 54.25 1icm s ARG 106 Cb -0.05 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.05 1icm s ARG 106 CO -0.00 0.05 0.24 -1.83 0.02 0.00 0.00 175.30 173.78 1icm s GLU 107 N 0.66 0.60 0.00 3.54 -1.05 -0.53 -1.79 118.70 120.14 1icm s GLU 107 Ca -0.11 -0.29 -0.16 0.00 -0.15 0.00 0.00 54.97 54.26 1icm s GLU 107 Cb -0.16 0.26 -0.06 0.00 -0.44 0.00 0.00 34.13 33.73 1icm s GLU 107 CO 0.02 -0.16 0.44 0.42 0.95 0.00 0.00 175.26 176.93 1icm s ILE 108 N -1.41 4.99 -0.30 1.83 -1.09 -1.26 -0.12 121.20 123.83 1icm s ILE 108 Ca -0.14 0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 59.18 1icm s ILE 108 Cb -0.06 -3.76 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1icm s ILE 108 CO 0.03 0.55 0.13 -0.55 -1.23 0.00 0.00 174.94 173.86 1icm s SER 109 N -0.90 3.68 1.35 3.58 0.15 -0.14 -4.96 113.70 116.46 1icm s SER 109 Ca 0.25 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.40 1icm s SER 109 Cb -0.17 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1icm s SER 109 CO 0.14 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1icm n GLY 110 N 5.00 2.96 0.98 9.45 0.00 -1.26 -1.56 105.19 120.76 1icm n GLY 110 Ca -0.03 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.83 1icm n GLY 110 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1icm n ASN 111 N 9.05 3.95 -4.67 1.61 2.04 -1.26 -4.99 115.26 120.98 1icm n ASN 111 Ca 0.00 -2.82 -0.28 0.00 -0.44 0.00 0.00 54.58 51.04 1icm n ASN 111 Cb 0.00 -0.51 -0.08 0.00 -2.53 0.00 0.00 39.78 36.66 1icm n ASN 111 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1icm s GLU 112 N -2.48 2.46 -0.24 -3.83 2.02 -0.60 -3.71 118.70 112.32 1icm s GLU 112 Ca 0.41 -0.99 -0.08 0.00 0.02 0.00 0.00 54.97 54.33 1icm s GLU 112 Cb 0.31 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1icm s GLU 112 CO 0.11 0.49 0.10 -1.17 0.02 0.00 0.00 175.26 174.81 1icm s LEU 113 N -2.67 3.67 -0.19 1.80 2.96 -0.79 -0.96 118.68 122.49 1icm s LEU 113 Ca 0.27 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1icm s LEU 113 Cb -0.10 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1icm s LEU 113 CO 0.18 0.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.58 1icm s ILE 114 N 1.32 3.80 -0.24 6.68 1.01 0.83 -1.15 121.20 133.44 1icm s ILE 114 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1icm s ILE 114 Cb -0.15 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1icm s ILE 114 CO 0.05 0.44 -0.03 -1.10 0.00 0.00 0.00 174.94 174.30 1icm s GLN 115 N 0.92 3.12 0.02 2.79 -0.21 -0.36 -1.45 119.66 124.49 1icm s GLN 115 Ca 0.00 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.63 1icm s GLN 115 Cb -0.14 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 1icm s GLN 115 CO 0.01 -0.31 -0.10 0.99 -2.12 0.00 0.00 175.29 173.77 1icm s THR 116 N 1.42 3.43 0.11 -0.19 2.01 0.09 -1.23 115.64 121.29 1icm s THR 116 Ca 0.03 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.20 1icm s THR 116 Cb -0.16 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1icm s THR 116 CO -0.03 0.36 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.80 1icm s TYR 117 N -0.99 1.46 0.00 4.92 2.02 0.09 -0.88 117.35 123.97 1icm s TYR 117 Ca 0.17 -0.51 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1icm s TYR 117 Cb -0.11 -0.77 -0.00 0.00 -0.40 0.00 0.00 41.96 40.67 1icm s TYR 117 CO 0.07 0.15 -0.04 0.95 -1.57 0.00 0.00 175.55 175.12 1icm s THR 118 N -1.81 0.30 -0.26 -0.71 -4.23 -0.68 -1.23 115.64 107.03 1icm s THR 118 Ca 0.07 -0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.24 1icm s THR 118 Cb -0.07 -0.27 0.10 0.00 1.34 0.00 0.00 72.50 73.60 1icm s THR 118 CO 0.03 0.04 0.58 -0.47 -0.54 0.00 0.00 174.62 174.26 1icm s TYR 119 N -0.20 -1.06 -1.62 3.99 5.04 0.27 -2.33 117.35 121.43 1icm s TYR 119 Ca 0.00 1.97 -0.15 0.00 -2.44 0.00 0.00 57.07 56.46 1icm s TYR 119 Cb -0.02 0.58 0.12 0.00 0.35 0.00 0.00 41.96 42.99 1icm s TYR 119 CO -0.00 -0.55 0.76 0.39 -1.34 0.00 0.00 175.55 174.81 1icm n GLU 120 N 5.03 -3.63 -0.62 4.97 -0.58 -1.26 -0.51 120.64 124.04 1icm n GLU 120 Ca -0.14 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1icm n GLU 120 Cb 0.52 -5.08 0.00 0.00 -0.57 0.00 0.00 31.44 26.31 1icm n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1icm n GLY 121 N -1.55 0.76 3.30 0.62 0.00 -1.26 -5.04 105.19 102.01 1icm n GLY 121 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1icm n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1icm s VAL 122 N -2.74 1.98 0.07 1.61 1.01 0.33 -5.13 120.40 117.54 1icm s VAL 122 Ca 0.00 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 60.93 1icm s VAL 122 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1icm s VAL 122 CO 0.00 0.52 -0.12 -0.70 0.00 0.00 0.00 175.10 174.80 1icm s GLU 123 N -0.69 2.16 0.05 2.72 2.12 -1.26 -0.57 118.70 123.23 1icm s GLU 123 Ca 0.10 -0.98 -0.08 0.00 0.36 0.00 0.00 54.97 54.37 1icm s GLU 123 Cb -0.10 -2.30 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 1icm s GLU 123 CO -0.00 0.53 0.17 0.00 -0.54 0.00 0.00 175.26 175.41 1icm s ALA 124 N -1.11 -0.27 0.05 6.30 0.00 -0.37 -4.77 121.76 121.59 1icm s ALA 124 Ca 0.19 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1icm s ALA 124 Cb -0.11 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1icm s ALA 124 CO 0.10 -0.37 -0.08 0.15 0.00 0.00 0.00 175.76 175.56 1icm s LYS 125 N -2.75 0.57 -0.13 0.00 1.02 -0.56 -0.73 119.74 117.16 1icm s LYS 125 Ca -0.04 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.16 1icm s LYS 125 Cb -0.00 -0.34 0.02 0.00 -0.52 0.00 0.00 37.83 36.99 1icm s LYS 125 CO -0.05 0.06 -0.12 1.03 -0.92 0.00 0.00 175.35 175.35 1icm s ARG 126 N -1.69 2.06 -0.15 1.68 0.52 -0.36 -0.24 118.95 120.76 1icm s ARG 126 Ca -0.08 -0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 54.62 1icm s ARG 126 Cb -0.09 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 1icm s ARG 126 CO 0.00 -0.21 -0.04 0.42 0.02 0.00 0.00 175.30 175.49 1icm s ILE 127 N 1.45 3.88 0.13 1.52 1.01 -0.10 -1.23 121.20 127.86 1icm s ILE 127 Ca 0.03 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1icm s ILE 127 Cb -0.13 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1icm s ILE 127 CO -0.08 0.49 -0.07 -0.36 0.00 0.00 0.00 174.94 174.92 1icm s PHE 128 N 0.35 2.77 0.03 3.97 0.40 -0.30 -0.40 117.98 124.79 1icm s PHE 128 Ca -0.04 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1icm s PHE 128 Cb -0.14 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1icm s PHE 128 CO 0.03 0.46 -0.00 0.15 0.70 0.00 0.00 175.22 176.56 1icm s LYS 129 N -2.44 2.70 0.27 0.44 1.02 -0.15 -1.88 119.74 119.69 1icm s LYS 129 Ca 0.23 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 1icm s LYS 129 Cb -0.10 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.49 1icm s LYS 129 CO 0.15 0.60 1.01 0.21 -0.92 0.00 0.00 175.35 176.40 1icm s LYS 130 N -1.78 4.73 0.00 1.68 2.20 -1.24 -1.53 119.74 123.79 1icm s LYS 130 Ca 0.21 1.61 0.15 0.00 -0.36 0.00 0.00 55.97 57.58 1icm s LYS 130 Cb -0.12 -3.19 0.87 0.00 -1.51 0.00 0.00 37.83 33.89 1icm s LYS 130 CO 0.13 0.36 1.29 -1.91 -0.36 0.00 0.00 175.35 174.85