#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4m n SER 5 N 0.00 1.77 -4.89 4.04 3.41 -1.26 -4.87 113.62 111.82 1u4m n SER 5 Ca 0.00 -2.13 -0.29 0.00 -0.26 0.00 0.00 58.87 56.19 1u4m n SER 5 Cb 0.00 -0.33 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1u4m n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u4m s ASP 6 N -0.67 6.03 0.66 4.04 -1.08 -1.26 -5.05 116.67 119.34 1u4m s ASP 6 Ca 0.16 1.09 -0.11 0.00 -0.52 0.00 0.00 52.55 53.17 1u4m s ASP 6 Cb 0.10 -2.19 -0.02 0.00 -1.46 0.00 0.00 42.92 39.35 1u4m s ASP 6 CO 0.08 -0.87 1.05 0.42 0.52 0.00 0.00 175.17 176.37 1u4m s THR 7 N -3.02 4.36 -0.04 1.71 -4.23 -1.26 -5.08 115.64 108.08 1u4m s THR 7 Ca 0.53 0.77 0.02 0.00 -1.18 0.00 0.00 61.69 61.82 1u4m s THR 7 Cb -0.11 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1u4m s THR 7 CO 0.49 -1.00 -0.07 -0.89 -0.54 0.00 0.00 174.62 172.61 1u4m s THR 8 N -3.15 0.67 0.04 3.99 2.01 -1.26 -5.13 115.64 112.81 1u4m s THR 8 Ca 0.56 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 1u4m s THR 8 Cb -0.12 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1u4m s THR 8 CO 0.54 0.24 1.11 -2.16 -0.69 0.00 0.00 174.62 173.67 1u4m s PRO 9 N 0.66 4.48 0.25 4.92 0.04 -1.26 -5.03 135.00 139.06 1u4m s PRO 9 Ca -0.10 1.63 0.07 0.00 0.04 0.00 0.00 61.00 62.64 1u4m s PRO 9 Cb -0.13 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1u4m s PRO 9 CO 0.01 -0.18 -0.09 0.00 0.04 0.00 0.00 177.00 176.78 1u4m n PHE 12 N 2.81 0.00 -3.53 0.00 3.72 -1.26 -4.52 117.46 114.68 1u4m n PHE 12 Ca -0.17 -0.14 -0.18 0.00 -0.05 0.00 0.00 57.45 56.91 1u4m n PHE 12 Cb 0.52 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.99 1u4m n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u4m s ALA 13 N -0.29 -1.77 -0.02 4.37 0.00 -1.26 -5.16 121.76 117.63 1u4m s ALA 13 Ca 0.00 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1u4m s ALA 13 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1u4m s ALA 13 CO 0.00 -0.37 -0.04 0.71 0.00 0.00 0.00 175.76 176.06 1u4m s TYR 14 N -1.03 2.97 0.29 0.00 2.02 -1.26 -4.64 117.35 115.69 1u4m s TYR 14 Ca -0.10 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1u4m s TYR 14 Cb -0.00 -1.65 -0.11 0.00 -0.40 0.00 0.00 41.96 39.79 1u4m s TYR 14 CO 0.09 0.40 1.51 -1.50 -1.57 0.00 0.00 175.55 174.48 1u4m s ILE 15 N -0.98 2.32 0.05 2.71 2.07 0.17 -4.92 121.20 122.62 1u4m s ILE 15 Ca 0.17 0.28 -0.21 0.00 -1.41 0.00 0.00 60.65 59.48 1u4m s ILE 15 Cb -0.11 -3.18 -0.13 0.00 0.13 0.00 0.00 42.46 39.17 1u4m s ILE 15 CO 0.07 0.05 1.44 0.00 -1.91 0.00 0.00 174.94 174.59 1u4m h ALA 16 N 4.66 0.21 -3.19 1.50 0.00 -1.98 -3.46 119.26 117.00 1u4m h ALA 16 Ca -0.47 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 53.58 1u4m h ALA 16 Cb 1.22 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 1u4m h ALA 16 CO 0.76 -0.04 -0.67 -0.98 0.00 0.00 0.00 179.25 178.32 1u4m s ARG 17 N -4.77 2.43 0.23 0.00 1.70 -1.26 -5.08 118.95 112.20 1u4m s ARG 17 Ca -0.14 -0.97 -0.31 0.00 -0.47 0.00 0.00 55.73 53.83 1u4m s ARG 17 Cb 0.06 -2.44 -0.14 0.00 -0.57 0.00 0.00 34.95 31.86 1u4m s ARG 17 CO 0.73 0.50 1.40 -2.30 -1.08 0.00 0.00 175.30 174.55 1u4m n PRO 18 N 0.30 2.00 -1.95 3.89 -0.02 -1.26 -4.97 135.00 132.99 1u4m n PRO 18 Ca -0.11 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.77 1u4m n PRO 18 Cb 0.53 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 1u4m n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u4m s LEU 19 N 0.15 3.37 0.14 2.45 2.01 -1.26 -4.97 118.68 120.57 1u4m s LEU 19 Ca 0.69 1.64 -0.31 0.00 0.01 0.00 0.00 54.13 56.16 1u4m s LEU 19 Cb -0.66 -4.51 -0.08 0.00 0.01 0.00 0.00 46.19 40.95 1u4m s LEU 19 CO 0.49 -1.09 1.38 -2.84 1.01 0.00 0.00 176.35 175.30 1u4m s PRO 20 N -4.54 4.33 0.34 1.29 0.02 -1.26 -4.89 135.00 130.29 1u4m s PRO 20 Ca 0.60 2.08 0.05 0.00 0.02 0.00 0.00 61.00 63.75 1u4m s PRO 20 Cb -0.13 -3.23 0.61 0.00 0.02 0.00 0.00 34.50 31.76 1u4m s PRO 20 CO 0.44 -0.40 1.86 -0.09 -0.33 0.00 0.00 177.00 178.48 1u4m h ARG 21 N 6.43 0.47 -0.42 5.54 9.65 -1.98 -3.21 114.38 130.87 1u4m h ARG 21 Ca -0.43 -0.11 0.12 0.00 -1.10 0.00 0.00 59.98 58.46 1u4m h ARG 21 Cb 1.21 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 1u4m h ARG 21 CO 0.84 0.54 0.30 0.00 2.80 0.00 0.00 179.97 184.46 1u4m h ALA 22 N 1.50 2.39 -0.47 2.80 0.00 -2.05 -2.88 119.26 120.55 1u4m h ALA 22 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1u4m h ALA 22 Cb 0.38 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1u4m h ALA 22 CO 0.02 -0.51 0.08 0.72 0.00 0.00 0.00 179.25 179.56 1u4m n HIS 23 N -4.41 1.60 -3.84 0.00 8.25 -1.21 -4.92 115.22 110.69 1u4m n HIS 23 Ca 0.07 -1.08 -0.36 0.00 -0.26 0.00 0.00 57.72 56.09 1u4m n HIS 23 Cb 0.49 -0.49 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1u4m n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u4m s ILE 24 N -2.95 4.65 -0.12 1.59 1.01 -1.09 -0.93 121.20 123.37 1u4m s ILE 24 Ca 0.48 -0.07 0.19 0.00 0.00 0.00 0.00 60.65 61.26 1u4m s ILE 24 Cb 0.39 -3.15 -0.26 0.00 0.01 0.00 0.00 42.46 39.45 1u4m s ILE 24 CO 0.10 0.37 0.38 2.29 0.00 0.00 0.00 174.94 178.08 1u4m n LYS 25 N 4.38 0.66 -3.61 2.79 2.85 -0.30 -4.92 118.16 120.02 1u4m n LYS 25 Ca -0.16 -0.04 -0.04 0.00 -1.05 0.00 0.00 58.31 57.01 1u4m n LYS 25 Cb 0.52 -1.57 0.02 0.00 -0.65 0.00 0.00 35.03 33.35 1u4m n LYS 25 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1u4m n GLU 26 N -2.58 0.73 -3.76 -1.58 0.00 -1.22 -5.05 120.64 107.18 1u4m n GLU 26 Ca -0.17 -1.57 -0.10 0.00 0.00 0.00 0.00 57.16 55.33 1u4m n GLU 26 Cb 0.86 2.05 -0.05 0.00 0.00 0.00 0.00 31.44 34.31 1u4m n GLU 26 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 1u4m s TYR 27 N -2.57 -0.01 0.11 -1.84 1.13 -1.26 -1.38 117.35 111.53 1u4m s TYR 27 Ca 0.19 -0.33 -0.25 0.00 -1.41 0.00 0.00 57.07 55.27 1u4m s TYR 27 Cb -0.03 0.22 0.07 0.00 -1.10 0.00 0.00 41.96 41.12 1u4m s TYR 27 CO 0.07 -0.78 0.61 -0.59 -2.51 0.00 0.00 175.55 172.35 1u4m s PHE 28 N -3.87 -0.55 -0.05 -3.49 -0.12 -0.66 -4.98 117.98 104.25 1u4m s PHE 28 Ca 0.09 0.51 -0.15 0.00 -0.05 0.00 0.00 56.93 57.33 1u4m s PHE 28 Cb 0.01 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1u4m s PHE 28 CO -0.06 -0.78 0.38 0.71 -0.05 0.00 0.00 175.22 175.43 1u4m s TYR 29 N -3.12 3.64 0.71 3.49 1.51 -1.26 0.36 117.35 122.69 1u4m s TYR 29 Ca -0.02 0.89 -0.14 0.00 -1.01 0.00 0.00 57.07 56.78 1u4m s TYR 29 Cb -0.01 -2.32 0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1u4m s TYR 29 CO -0.07 0.51 1.15 0.95 -1.11 0.00 0.00 175.55 176.97 1u4m s THR 30 N -0.54 2.80 0.43 -0.71 -4.23 -0.61 -4.93 115.64 107.84 1u4m s THR 30 Ca 0.22 0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 60.85 1u4m s THR 30 Cb -0.16 -2.86 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1u4m s THR 30 CO 0.11 -0.24 1.09 -0.24 -0.54 0.00 0.00 174.62 174.80 1u4m n SER 31 N -2.76 1.66 0.11 3.99 2.88 -1.26 -4.73 113.62 113.51 1u4m n SER 31 Ca 0.12 1.05 0.10 0.00 -1.33 0.00 0.00 58.87 58.80 1u4m n SER 31 Cb 0.51 -1.40 0.45 0.00 -0.75 0.00 0.00 64.21 63.02 1u4m n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u4m n GLY 32 N 1.07 -1.03 0.18 0.46 0.00 -1.26 -1.16 105.19 103.45 1u4m n GLY 32 Ca 0.09 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1u4m n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4m h LYS 33 N 0.00 0.00 -6.99 1.61 1.57 -1.98 -3.44 116.57 107.35 1u4m h LYS 33 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1u4m h LYS 33 Cb 0.19 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.58 1u4m h LYS 33 CO 0.00 0.42 0.54 0.00 -0.57 0.00 0.00 179.45 179.85 1u4m h SER 35 N 2.16 0.46 -3.19 0.00 0.02 -1.87 -3.43 113.55 107.71 1u4m h SER 35 Ca -0.50 -0.16 -0.67 0.00 -0.84 0.00 0.00 61.79 59.63 1u4m h SER 35 Cb 1.26 -0.13 -0.14 0.00 0.14 0.00 0.00 62.40 63.53 1u4m h SER 35 CO 0.60 0.72 -0.59 0.20 -1.14 0.00 0.00 176.83 176.63 1u4m s ASN 36 N -6.82 5.47 0.42 3.07 0.01 -1.26 -5.09 114.94 110.74 1u4m s ASN 36 Ca -0.07 0.18 -0.23 0.00 -0.71 0.00 0.00 52.86 52.03 1u4m s ASN 36 Cb 0.14 -1.68 -0.09 0.00 0.41 0.00 0.00 41.25 40.03 1u4m s ASN 36 CO 0.79 0.34 1.06 -2.16 -1.51 0.00 0.00 177.10 175.62 1u4m s PRO 37 N -0.64 4.07 -0.03 -0.60 0.04 -1.26 -4.72 135.00 131.86 1u4m s PRO 37 Ca 0.11 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 1u4m s PRO 37 Cb -0.12 -2.46 0.09 0.00 0.04 0.00 0.00 34.50 32.06 1u4m s PRO 37 CO 0.02 -0.22 0.81 0.00 0.04 0.00 0.00 177.00 177.65 1u4m s ALA 38 N -1.70 -1.80 -0.09 8.56 0.00 -1.26 -4.77 121.76 120.70 1u4m s ALA 38 Ca 0.60 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.73 1u4m s ALA 38 Cb -0.22 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1u4m s ALA 38 CO 0.27 -0.50 -0.07 0.08 0.00 0.00 0.00 175.76 175.53 1u4m s VAL 39 N -2.11 3.64 -0.19 0.00 1.01 -0.73 -1.58 120.40 120.44 1u4m s VAL 39 Ca -0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1u4m s VAL 39 Cb -0.01 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1u4m s VAL 39 CO -0.01 0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 174.90 1u4m s VAL 40 N -0.43 3.27 -0.23 2.92 1.01 0.16 -0.82 120.40 126.28 1u4m s VAL 40 Ca 0.06 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1u4m s VAL 40 Cb -0.12 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1u4m s VAL 40 CO 0.02 0.46 0.15 -0.36 0.00 0.00 0.00 175.10 175.36 1u4m s PHE 41 N 1.14 3.33 -0.26 5.22 0.08 0.16 -1.65 117.98 126.00 1u4m s PHE 41 Ca 0.01 0.23 -0.11 0.00 0.12 0.00 0.00 56.93 57.19 1u4m s PHE 41 Cb -0.14 -2.23 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 1u4m s PHE 41 CO -0.02 0.12 0.18 0.08 -0.10 0.00 0.00 175.22 175.48 1u4m s VAL 42 N 0.87 5.33 0.55 -0.44 1.01 -0.48 -1.06 120.40 126.18 1u4m s VAL 42 Ca 0.07 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1u4m s VAL 42 Cb -0.13 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1u4m s VAL 42 CO 0.03 0.29 0.86 0.42 0.00 0.00 0.00 175.10 176.69 1u4m s THR 43 N 1.49 3.99 0.63 3.92 -4.23 -0.72 -1.14 115.64 119.57 1u4m s THR 43 Ca 0.07 0.02 0.35 0.00 -1.18 0.00 0.00 61.69 60.95 1u4m s THR 43 Cb -0.15 -3.56 0.38 0.00 1.34 0.00 0.00 72.50 70.52 1u4m s THR 43 CO 0.08 -0.55 2.21 0.03 -0.54 0.00 0.00 174.62 175.85 1u4m h ARG 44 N -0.04 0.00 -0.60 3.99 2.47 -1.39 0.72 114.38 119.54 1u4m h ARG 44 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1u4m h ARG 44 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1u4m h ARG 44 CO 0.61 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.77 1u4m n LYS 45 N -3.38 2.77 -1.80 0.04 5.02 -1.26 -4.92 118.16 114.63 1u4m n LYS 45 Ca -0.02 -1.87 -0.18 0.00 -2.02 0.00 0.00 58.31 54.22 1u4m n LYS 45 Cb 0.19 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.48 1u4m n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u4m n ASN 46 N 0.67 -5.24 -4.77 4.39 3.02 0.25 -4.99 115.26 108.59 1u4m n ASN 46 Ca 0.17 0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 54.63 1u4m n ASN 46 Cb 0.62 -4.33 -0.06 0.00 -0.61 0.00 0.00 39.78 35.40 1u4m n ASN 46 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1u4m s ARG 47 N -4.01 4.68 -0.46 3.52 3.52 -1.25 -4.79 118.95 120.16 1u4m s ARG 47 Ca 0.00 1.39 -0.09 0.00 -0.13 0.00 0.00 55.73 56.90 1u4m s ARG 47 Cb 0.00 -2.97 0.11 0.00 -1.56 0.00 0.00 34.95 30.53 1u4m s ARG 47 CO 0.00 0.36 0.32 -0.65 -0.81 0.00 0.00 175.30 174.53 1u4m s GLN 48 N -1.74 2.51 -0.18 5.12 -0.21 -1.26 -1.76 119.66 122.14 1u4m s GLN 48 Ca 0.47 -1.69 -0.15 0.00 0.02 0.00 0.00 55.36 54.02 1u4m s GLN 48 Cb -0.21 -3.89 -0.04 0.00 1.00 0.00 0.00 33.01 29.86 1u4m s GLN 48 CO 0.27 -1.13 0.33 0.08 -2.12 0.00 0.00 175.29 172.72 1u4m s VAL 49 N 1.38 5.27 0.05 1.09 1.01 -0.23 -4.90 120.40 124.06 1u4m s VAL 49 Ca 0.05 0.61 -0.27 0.00 0.00 0.00 0.00 61.98 62.37 1u4m s VAL 49 Cb -0.25 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1u4m s VAL 49 CO -0.00 0.34 0.84 0.00 0.00 0.00 0.00 175.10 176.27 1u4m s ALA 51 N 0.14 0.36 -0.30 0.00 0.00 0.00 -0.66 121.76 121.30 1u4m s ALA 51 Ca 0.42 -0.76 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 1u4m s ALA 51 Cb -0.21 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1u4m s ALA 51 CO 0.25 -0.14 1.02 1.21 0.00 0.00 0.00 175.76 178.09 1u4m s ASN 52 N -1.75 6.91 0.59 0.00 3.84 -1.26 -1.77 114.94 121.50 1u4m s ASN 52 Ca -0.10 1.03 0.29 0.00 0.21 0.00 0.00 52.86 54.29 1u4m s ASN 52 Cb -0.07 -2.52 1.56 0.00 -0.55 0.00 0.00 41.25 39.67 1u4m s ASN 52 CO -0.02 -0.80 1.98 -0.65 -2.79 0.00 0.00 177.10 174.82 1u4m h PRO 53 N 8.00 0.00 0.00 0.43 0.11 -1.92 -1.09 132.00 137.53 1u4m h PRO 53 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1u4m h PRO 53 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1u4m h PRO 53 CO 1.00 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.72 1u4m h GLU 54 N 0.00 0.00 -6.88 1.05 3.07 -1.98 -3.41 114.58 106.43 1u4m h GLU 54 Ca 0.15 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.49 1u4m h GLU 54 Cb 0.86 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.82 1u4m h GLU 54 CO -0.00 0.00 0.60 -1.59 -1.40 0.00 0.00 179.01 176.62 1u4m s LYS 55 N -3.19 4.36 0.09 2.33 0.00 -0.41 -4.95 119.74 117.97 1u4m s LYS 55 Ca 0.08 2.13 -0.23 0.00 0.00 0.00 0.00 55.97 57.95 1u4m s LYS 55 Cb 0.09 -3.05 -0.15 0.00 0.00 0.00 0.00 37.83 34.72 1u4m s LYS 55 CO 0.62 -0.15 1.73 -0.22 0.00 0.00 0.00 175.35 177.33 1u4m h LYS 56 N 3.37 0.02 -0.36 1.78 3.64 -1.89 -2.20 116.57 120.93 1u4m h LYS 56 Ca -0.49 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1u4m h LYS 56 Cb 1.23 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1u4m h LYS 56 CO 0.65 0.03 0.24 0.11 -2.27 0.00 0.00 179.45 178.21 1u4m h TRP 57 N 0.00 0.44 -0.29 1.91 5.08 -1.95 -0.76 115.95 120.37 1u4m h TRP 57 Ca 0.01 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.96 1u4m h TRP 57 Cb 0.01 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.01 1u4m h TRP 57 CO -0.07 0.27 0.07 0.28 -1.28 0.00 0.00 178.44 177.71 1u4m h VAL 58 N 0.47 1.22 -0.72 0.12 2.07 -1.77 -0.52 116.25 117.12 1u4m h VAL 58 Ca 0.13 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1u4m h VAL 58 Cb -0.04 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1u4m h VAL 58 CO -0.03 0.24 0.22 0.03 0.02 0.00 0.00 177.57 178.05 1u4m h ARG 59 N 0.31 1.11 -0.46 1.57 -0.00 -0.76 -1.25 114.38 114.90 1u4m h ARG 59 Ca 0.09 -0.24 -0.04 0.00 -0.50 0.00 0.00 59.98 59.30 1u4m h ARG 59 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 30.07 1u4m h ARG 59 CO 0.00 0.95 0.13 0.93 0.00 0.00 0.00 179.97 181.98 1u4m h GLU 60 N 1.07 0.73 -0.73 0.04 5.08 -0.94 -0.37 114.58 119.45 1u4m h GLU 60 Ca 0.23 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1u4m h GLU 60 Cb 0.30 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1u4m h GLU 60 CO -0.01 0.70 0.40 1.88 -1.00 0.00 0.00 179.01 180.98 1u4m h TYR 61 N 0.62 1.02 -0.12 4.33 -1.99 -0.84 -0.13 116.97 119.86 1u4m h TYR 61 Ca 0.15 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 1u4m h TYR 61 Cb 0.29 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 1u4m h TYR 61 CO 0.02 0.72 0.05 0.82 -0.00 0.00 0.00 178.16 179.77 1u4m h ILE 62 N 1.02 1.13 -1.00 -2.88 2.04 -0.93 -0.04 117.51 116.85 1u4m h ILE 62 Ca 0.26 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1u4m h ILE 62 Cb 0.05 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1u4m h ILE 62 CO -0.04 0.11 0.64 0.78 0.00 0.00 0.00 178.15 179.65 1u4m h ASN 63 N 0.06 1.04 -0.47 1.72 -0.26 -0.76 0.41 115.58 117.31 1u4m h ASN 63 Ca 0.04 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1u4m h ASN 63 Cb 0.13 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1u4m h ASN 63 CO -0.00 0.67 0.20 -1.28 -1.06 0.00 0.00 177.43 175.95 1u4m h SER 64 N 1.18 0.64 0.71 5.81 0.87 -0.56 -1.23 113.55 120.98 1u4m h SER 64 Ca 0.43 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1u4m h SER 64 Cb 0.15 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1u4m h SER 64 CO -0.17 0.62 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.52 1u4m h LEU 65 N 0.62 0.00 0.00 2.23 3.38 -0.13 -2.77 115.31 118.64 1u4m h LEU 65 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1u4m h LEU 65 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1u4m h LEU 65 CO -0.02 0.16 -0.70 -0.33 0.09 0.00 0.00 178.44 177.65 1u4m h GLU 66 N 0.00 0.00 0.00 1.13 4.39 -0.26 -3.21 114.58 116.63 1u4m h GLU 66 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u4m h GLU 66 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1u4m h GLU 66 CO 0.02 0.52 0.00 -1.33 -1.16 0.00 0.00 179.01 177.06 1u4m n MET 67 N -3.19 0.25 -0.04 2.33 2.81 -0.53 -5.09 117.12 113.67 1u4m n MET 67 Ca -0.00 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1u4m n MET 67 Cb 0.77 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1u4m n MET 67 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91