#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4r h PRO 2 N 0.00 0.00 -5.22 -1.46 0.13 -2.15 -3.43 132.00 119.87 1u4r h PRO 2 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1u4r h PRO 2 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 1u4r h PRO 2 CO 0.00 0.09 -0.80 0.71 -0.23 0.00 0.00 178.00 177.77 1u4r s TYR 3 N -3.95 1.19 0.18 1.56 1.51 -1.26 -5.14 117.35 111.44 1u4r s TYR 3 Ca -0.02 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 1u4r s TYR 3 Cb 0.11 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1u4r s TYR 3 CO 0.56 -0.01 0.31 -1.54 -1.11 0.00 0.00 175.55 173.76 1u4r s SER 4 N -0.53 6.33 0.43 2.29 1.04 -1.26 -5.06 113.70 116.95 1u4r s SER 4 Ca 0.04 0.15 -0.26 0.00 0.48 0.00 0.00 55.95 56.36 1u4r s SER 4 Cb -0.06 -1.90 -0.09 0.00 0.10 0.00 0.00 66.02 64.08 1u4r s SER 4 CO -0.00 0.01 1.44 -0.44 0.98 0.00 0.00 173.24 175.23 1u4r s SER 5 N -3.46 5.99 -0.02 7.02 0.01 -1.26 -4.94 113.70 117.04 1u4r s SER 5 Ca 0.34 2.94 0.03 0.00 1.31 0.00 0.00 55.95 60.57 1u4r s SER 5 Cb -0.10 -2.66 0.04 0.00 0.21 0.00 0.00 66.02 63.51 1u4r s SER 5 CO 0.29 -1.10 0.86 -0.90 0.41 0.00 0.00 173.24 172.79 1u4r n ASP 6 N -0.04 0.63 -4.81 2.44 5.68 -1.26 -5.08 116.55 114.12 1u4r n ASP 6 Ca 0.04 -1.84 -0.30 0.00 -0.50 0.00 0.00 54.79 52.20 1u4r n ASP 6 Cb 0.41 -0.14 0.09 0.00 -1.14 0.00 0.00 41.12 40.34 1u4r n ASP 6 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1u4r s THR 7 N -0.58 3.16 -0.13 2.12 -4.23 -1.26 -5.05 115.64 109.66 1u4r s THR 7 Ca 0.05 0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1u4r s THR 7 Cb 0.04 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1u4r s THR 7 CO 0.00 -0.49 -0.18 -0.89 -0.54 0.00 0.00 174.62 172.53 1u4r s THR 8 N -3.15 1.75 -0.02 3.99 2.01 -1.26 -5.10 115.64 113.86 1u4r s THR 8 Ca 0.60 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1u4r s THR 8 Cb -0.14 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 1u4r s THR 8 CO 0.54 0.49 1.36 -2.84 -0.69 0.00 0.00 174.62 173.48 1u4r s PRO 9 N 1.04 4.29 0.34 4.92 0.02 -1.26 -5.02 135.00 139.33 1u4r s PRO 9 Ca -0.04 1.90 0.05 0.00 0.02 0.00 0.00 61.00 62.94 1u4r s PRO 9 Cb -0.15 -3.59 -0.07 0.00 0.02 0.00 0.00 34.50 30.72 1u4r s PRO 9 CO -0.04 -0.56 0.02 0.00 -0.33 0.00 0.00 177.00 176.09 1u4r n PHE 12 N 3.42 0.00 -3.59 0.00 3.01 -1.26 -4.44 117.46 114.61 1u4r n PHE 12 Ca -0.20 -0.24 -0.16 0.00 1.01 0.00 0.00 57.45 57.86 1u4r n PHE 12 Cb 0.53 -0.02 -0.07 0.00 -0.01 0.00 0.00 39.48 39.90 1u4r n PHE 12 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u4r s ALA 13 N -0.49 -1.76 -0.09 4.37 0.00 -1.26 -5.17 121.76 117.37 1u4r s ALA 13 Ca 0.00 1.70 0.01 0.00 0.00 0.00 0.00 51.96 53.66 1u4r s ALA 13 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1u4r s ALA 13 CO 0.00 -0.35 -0.10 0.71 0.00 0.00 0.00 175.76 176.02 1u4r s TYR 14 N -0.31 2.86 0.15 0.00 2.02 -1.26 -4.63 117.35 116.17 1u4r s TYR 14 Ca -0.05 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.09 1u4r s TYR 14 Cb -0.03 -1.76 -0.10 0.00 -0.40 0.00 0.00 41.96 39.67 1u4r s TYR 14 CO 0.05 0.10 1.59 -1.50 -1.57 0.00 0.00 175.55 174.22 1u4r s ILE 15 N -0.31 2.67 -0.01 2.71 2.07 -0.44 -4.93 121.20 122.96 1u4r s ILE 15 Ca 0.04 0.43 -0.24 0.00 -1.41 0.00 0.00 60.65 59.47 1u4r s ILE 15 Cb -0.13 -3.28 -0.17 0.00 0.13 0.00 0.00 42.46 39.02 1u4r s ILE 15 CO 0.03 0.03 1.13 0.00 -1.91 0.00 0.00 174.94 174.21 1u4r h ALA 16 N 7.08 -0.30 -2.71 1.50 0.00 -1.98 -3.45 119.26 119.40 1u4r h ALA 16 Ca -0.43 -0.20 -0.55 0.00 0.00 0.00 0.00 54.91 53.73 1u4r h ALA 16 Cb 1.20 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1u4r h ALA 16 CO 0.92 -0.45 0.08 -0.98 0.00 0.00 0.00 179.25 178.82 1u4r s ARG 17 N -4.25 4.41 0.34 0.00 1.70 -1.26 -5.02 118.95 114.88 1u4r s ARG 17 Ca -0.14 0.94 -0.26 0.00 -0.47 0.00 0.00 55.73 55.80 1u4r s ARG 17 Cb 0.02 -3.31 -0.13 0.00 -0.57 0.00 0.00 34.95 30.96 1u4r s ARG 17 CO 0.54 0.45 0.98 -2.30 -1.08 0.00 0.00 175.30 173.89 1u4r n PRO 18 N 2.27 1.33 -2.63 3.89 -0.02 -1.26 -4.92 135.00 133.65 1u4r n PRO 18 Ca -0.06 0.47 -0.40 0.00 -2.02 0.00 0.00 63.50 61.49 1u4r n PRO 18 Cb 0.50 -1.90 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 1u4r n PRO 18 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1u4r s LEU 19 N 0.17 4.55 -0.42 2.45 2.96 -1.26 -4.92 118.68 122.21 1u4r s LEU 19 Ca 0.60 2.07 -0.29 0.00 -0.22 0.00 0.00 54.13 56.29 1u4r s LEU 19 Cb -0.64 -3.70 -0.09 0.00 0.50 0.00 0.00 46.19 42.26 1u4r s LEU 19 CO 0.59 -0.03 2.33 -2.65 -1.32 0.00 0.00 176.35 175.28 1u4r n PRO 20 N 1.17 1.21 -0.36 0.98 -0.02 -1.26 -4.82 135.00 131.90 1u4r n PRO 20 Ca -0.01 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.65 1u4r n PRO 20 Cb 0.47 -2.95 -0.02 0.00 -0.02 0.00 0.00 33.50 30.98 1u4r n PRO 20 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1u4r n ARG 21 N 8.68 -0.29 -0.25 -0.52 3.00 -1.26 -1.30 116.66 124.73 1u4r n ARG 21 Ca 0.39 1.39 0.04 0.00 -0.00 0.00 0.00 57.85 59.67 1u4r n ARG 21 Cb 0.39 -2.06 0.17 0.00 0.00 0.00 0.00 32.46 30.96 1u4r n ARG 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1u4r h ALA 22 N 0.93 1.01 0.00 5.13 0.00 -2.05 -2.67 119.26 121.62 1u4r h ALA 22 Ca 0.25 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1u4r h ALA 22 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1u4r h ALA 22 CO -0.89 -0.19 0.00 -2.39 0.00 0.00 0.00 179.25 175.78 1u4r n HIS 23 N -4.99 0.00 -5.02 0.00 -0.00 -0.42 -4.70 115.22 100.09 1u4r n HIS 23 Ca 0.13 -0.17 -0.29 0.00 -0.00 0.00 0.00 57.72 57.40 1u4r n HIS 23 Cb 0.38 -0.17 -0.16 0.00 -0.00 0.00 0.00 29.99 30.04 1u4r n HIS 23 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1u4r s ILE 24 N 0.78 1.71 -0.20 0.61 1.01 -1.01 -2.46 121.20 121.65 1u4r s ILE 24 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1u4r s ILE 24 Cb 0.00 -1.46 -0.13 0.00 0.01 0.00 0.00 42.46 40.88 1u4r s ILE 24 CO 0.00 0.48 -0.18 0.29 0.00 0.00 0.00 174.94 175.54 1u4r n LYS 25 N 3.11 0.50 -3.12 2.79 5.02 0.89 -4.91 118.16 122.44 1u4r n LYS 25 Ca -0.18 0.12 -0.07 0.00 -2.02 0.00 0.00 58.31 56.15 1u4r n LYS 25 Cb 0.52 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 34.16 1u4r n LYS 25 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u4r n GLU 26 N -3.09 0.84 -3.66 1.97 -0.58 -1.24 -5.01 120.64 109.86 1u4r n GLU 26 Ca -0.35 -1.72 -0.11 0.00 -0.42 0.00 0.00 57.16 54.56 1u4r n GLU 26 Cb 0.87 2.10 -0.05 0.00 -0.57 0.00 0.00 31.44 33.80 1u4r n GLU 26 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1u4r s TYR 27 N -3.79 -0.18 -0.05 -0.32 -0.85 -1.26 -1.30 117.35 109.61 1u4r s TYR 27 Ca 0.13 -0.11 -0.31 0.00 -0.52 0.00 0.00 57.07 56.26 1u4r s TYR 27 Cb -0.04 0.22 0.07 0.00 0.38 0.00 0.00 41.96 42.60 1u4r s TYR 27 CO 0.09 -0.67 0.68 -0.59 -1.52 0.00 0.00 175.55 173.54 1u4r s PHE 28 N -3.63 -0.66 -0.12 -3.49 -0.12 -0.29 -4.98 117.98 104.70 1u4r s PHE 28 Ca 0.02 1.11 -0.24 0.00 -0.05 0.00 0.00 56.93 57.77 1u4r s PHE 28 Cb 0.02 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 1u4r s PHE 28 CO -0.11 -0.61 0.75 0.71 -0.05 0.00 0.00 175.22 175.91 1u4r s TYR 29 N -1.23 3.49 0.77 3.49 2.02 -1.26 -1.33 117.35 123.30 1u4r s TYR 29 Ca -0.11 1.22 -0.15 0.00 -0.37 0.00 0.00 57.07 57.67 1u4r s TYR 29 Cb -0.00 -2.90 0.04 0.00 -0.40 0.00 0.00 41.96 38.70 1u4r s TYR 29 CO 0.10 -0.08 1.03 0.25 -1.57 0.00 0.00 175.55 175.27 1u4r n THR 30 N 4.28 2.38 -1.73 -0.71 -2.24 -1.01 -4.89 114.28 110.36 1u4r n THR 30 Ca 0.01 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 1u4r n THR 30 Cb 0.50 -1.12 0.01 0.00 -2.10 0.00 0.00 70.33 67.63 1u4r n THR 30 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1u4r n SER 31 N -2.26 3.00 0.12 3.42 2.88 -1.26 -4.79 113.62 114.73 1u4r n SER 31 Ca 0.13 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.90 1u4r n SER 31 Cb 0.50 -1.55 0.44 0.00 -0.75 0.00 0.00 64.21 62.85 1u4r n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u4r n GLY 32 N 0.68 -0.89 0.14 0.46 0.00 -1.26 -0.64 105.19 103.68 1u4r n GLY 32 Ca 0.05 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1u4r n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4r h LYS 33 N 0.00 0.00 -7.27 1.61 1.57 -1.99 -3.45 116.57 107.04 1u4r h LYS 33 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1u4r h LYS 33 Cb 0.09 0.00 0.18 0.00 0.08 0.00 0.00 32.23 32.58 1u4r h LYS 33 CO 0.00 0.56 0.27 0.00 -0.57 0.00 0.00 179.45 179.71 1u4r h SER 35 N -1.51 0.00 -3.21 0.00 4.64 -1.87 -3.44 113.55 108.16 1u4r h SER 35 Ca -0.44 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.21 1u4r h SER 35 Cb 1.26 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.02 1u4r h SER 35 CO 0.45 0.55 -0.86 0.20 -0.87 0.00 0.00 176.83 176.30 1u4r s ASN 36 N -6.51 3.18 -1.18 4.97 0.01 -1.26 -5.05 114.94 109.10 1u4r s ASN 36 Ca 0.02 -0.59 -0.22 0.00 -0.71 0.00 0.00 52.86 51.36 1u4r s ASN 36 Cb 0.09 -1.46 -0.04 0.00 0.41 0.00 0.00 41.25 40.25 1u4r s ASN 36 CO 0.74 0.08 1.86 -2.16 -1.51 0.00 0.00 177.10 176.11 1u4r s PRO 37 N 0.82 2.92 0.49 -0.60 0.04 -1.26 -4.67 135.00 132.74 1u4r s PRO 37 Ca -0.07 -1.29 0.08 0.00 0.04 0.00 0.00 61.00 59.77 1u4r s PRO 37 Cb -0.15 -5.30 0.03 0.00 0.04 0.00 0.00 34.50 29.12 1u4r s PRO 37 CO -0.02 -3.42 0.60 0.00 0.04 0.00 0.00 177.00 174.20 1u4r s ALA 38 N 8.98 4.50 0.02 8.56 0.00 -1.26 -4.61 121.76 137.94 1u4r s ALA 38 Ca 0.64 -1.83 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1u4r s ALA 38 Cb -0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1u4r s ALA 38 CO 0.09 -0.49 -0.14 0.08 0.00 0.00 0.00 175.76 175.30 1u4r s VAL 39 N -2.53 3.06 -0.10 0.00 1.01 0.01 -2.40 120.40 119.44 1u4r s VAL 39 Ca 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1u4r s VAL 39 Cb -0.06 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.05 1u4r s VAL 39 CO 0.33 0.39 -0.09 -0.69 0.00 0.00 0.00 175.10 175.04 1u4r s VAL 40 N -0.91 1.07 -0.19 2.92 1.01 -0.44 0.43 120.40 124.28 1u4r s VAL 40 Ca 0.15 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1u4r s VAL 40 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1u4r s VAL 40 CO 0.05 0.37 0.08 -0.36 0.00 0.00 0.00 175.10 175.24 1u4r s PHE 41 N 1.40 3.27 -0.36 5.22 0.08 -0.16 -1.14 117.98 126.29 1u4r s PHE 41 Ca -0.01 0.10 -0.18 0.00 0.12 0.00 0.00 56.93 56.97 1u4r s PHE 41 Cb -0.13 -2.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1u4r s PHE 41 CO -0.05 0.15 0.48 0.08 -0.10 0.00 0.00 175.22 175.78 1u4r s VAL 42 N 0.46 5.04 0.98 -0.44 1.01 -0.42 -1.15 120.40 125.88 1u4r s VAL 42 Ca 0.04 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1u4r s VAL 42 Cb -0.12 -3.96 0.18 0.00 0.00 0.00 0.00 36.38 32.47 1u4r s VAL 42 CO 0.00 -0.24 1.15 0.42 0.00 0.00 0.00 175.10 176.43 1u4r s THR 43 N 2.31 1.93 0.31 3.92 -4.23 -0.25 -0.08 115.64 119.55 1u4r s THR 43 Ca 0.17 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.98 1u4r s THR 43 Cb -0.16 -2.71 0.32 0.00 1.34 0.00 0.00 72.50 71.29 1u4r s THR 43 CO 0.13 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.25 1u4r h ALA 44 N -1.74 1.12 -0.32 3.99 0.00 -1.82 0.10 119.26 120.59 1u4r h ALA 44 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1u4r h ALA 44 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u4r h ALA 44 CO 0.54 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1u4r n ALA 45 N -2.20 2.69 -1.48 0.00 0.00 -1.26 -4.87 120.51 113.39 1u4r n ALA 45 Ca -0.01 -0.71 -0.17 0.00 0.00 0.00 0.00 53.44 52.56 1u4r n ALA 45 Cb 0.27 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 1u4r n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u4r n ASN 46 N 0.44 -5.62 -4.79 0.00 3.02 0.35 -4.96 115.26 103.71 1u4r n ASN 46 Ca 0.12 0.41 -0.36 0.00 -0.03 0.00 0.00 54.58 54.72 1u4r n ASN 46 Cb 0.43 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 1u4r n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u4r s ALA 47 N -2.40 2.99 -0.44 5.41 0.00 -1.26 -4.75 121.76 121.31 1u4r s ALA 47 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 1u4r s ALA 47 Cb 0.00 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.95 1u4r s ALA 47 CO 0.00 -0.30 0.29 -0.65 0.00 0.00 0.00 175.76 175.10 1u4r s GLN 48 N -2.78 2.39 -0.20 0.00 -0.21 -1.26 -1.09 119.66 116.50 1u4r s GLN 48 Ca 0.62 -1.71 -0.17 0.00 0.02 0.00 0.00 55.36 54.12 1u4r s GLN 48 Cb -0.21 -3.81 -0.04 0.00 1.00 0.00 0.00 33.01 29.96 1u4r s GLN 48 CO 0.26 -1.11 0.44 0.08 -2.12 0.00 0.00 175.29 172.83 1u4r s VAL 49 N 1.32 5.17 0.21 1.09 1.01 -0.30 -4.92 120.40 123.97 1u4r s VAL 49 Ca 0.06 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1u4r s VAL 49 Cb -0.25 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1u4r s VAL 49 CO -0.01 0.22 1.01 0.00 0.00 0.00 0.00 175.10 176.32 1u4r s ALA 51 N -0.70 0.17 -0.20 0.00 0.00 0.17 -1.33 121.76 119.87 1u4r s ALA 51 Ca 0.45 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.53 1u4r s ALA 51 Cb -0.27 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 1u4r s ALA 51 CO 0.34 -0.14 0.94 1.21 0.00 0.00 0.00 175.76 178.11 1u4r s ASN 52 N -1.47 7.03 0.39 0.00 3.84 -1.26 -0.81 114.94 122.65 1u4r s ASN 52 Ca -0.15 1.28 0.27 0.00 0.21 0.00 0.00 52.86 54.46 1u4r s ASN 52 Cb -0.10 -2.50 1.39 0.00 -0.55 0.00 0.00 41.25 39.49 1u4r s ASN 52 CO -0.01 -0.54 1.82 1.55 -2.79 0.00 0.00 177.10 177.14 1u4r h PRO 53 N 7.42 0.00 0.00 0.43 0.13 -1.92 -2.12 132.00 135.93 1u4r h PRO 53 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1u4r h PRO 53 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1u4r h PRO 53 CO 0.90 0.00 -0.43 0.93 -0.23 0.00 0.00 178.00 179.17 1u4r h GLU 54 N 0.00 0.00 -6.85 0.86 5.08 -1.95 -3.42 114.58 108.29 1u4r h GLU 54 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1u4r h GLU 54 Cb 0.08 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.41 1u4r h GLU 54 CO 0.00 0.00 0.75 0.15 -1.00 0.00 0.00 179.01 178.91 1u4r s LYS 55 N -3.24 4.22 0.14 2.33 -0.14 -0.80 -4.95 119.74 117.29 1u4r s LYS 55 Ca 0.05 2.41 -0.18 0.00 -1.36 0.00 0.00 55.97 56.89 1u4r s LYS 55 Cb 0.09 -3.04 -0.03 0.00 -1.68 0.00 0.00 37.83 33.17 1u4r s LYS 55 CO 0.71 -0.43 1.79 -0.22 -0.76 0.00 0.00 175.35 176.43 1u4r h LYS 56 N 3.92 0.40 -0.64 1.68 1.63 -1.90 -2.20 116.57 119.44 1u4r h LYS 56 Ca -0.48 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.22 1u4r h LYS 56 Cb 1.23 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 1u4r h LYS 56 CO 0.70 0.27 0.12 0.11 -3.45 0.00 0.00 179.45 177.21 1u4r h TRP 57 N 0.40 1.11 -0.27 1.91 5.08 -1.95 -2.05 115.95 120.17 1u4r h TRP 57 Ca 0.11 -0.15 0.02 0.00 1.08 0.00 0.00 58.89 59.96 1u4r h TRP 57 Cb -0.03 -0.31 -0.03 0.00 -3.00 0.00 0.00 29.16 25.80 1u4r h TRP 57 CO -0.05 0.93 0.11 0.28 -1.28 0.00 0.00 178.44 178.43 1u4r h VAL 58 N 0.96 0.96 -0.64 0.12 2.07 -1.82 0.73 116.25 118.64 1u4r h VAL 58 Ca 0.20 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.73 1u4r h VAL 58 Cb 0.41 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1u4r h VAL 58 CO 0.01 0.05 0.25 0.03 0.02 0.00 0.00 177.57 177.92 1u4r h ARG 59 N 0.25 0.42 -0.18 1.57 3.08 -1.16 0.25 114.38 118.60 1u4r h ARG 59 Ca 0.12 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1u4r h ARG 59 Cb 0.06 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1u4r h ARG 59 CO -0.10 0.28 -0.11 0.93 -1.07 0.00 0.00 179.97 179.89 1u4r h GLU 60 N 0.43 0.40 -0.96 0.04 4.39 -0.64 -3.00 114.58 115.24 1u4r h GLU 60 Ca 0.32 -0.19 0.07 0.00 0.34 0.00 0.00 59.36 59.90 1u4r h GLU 60 Cb 0.40 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 1u4r h GLU 60 CO -0.31 0.72 0.61 1.88 -1.16 0.00 0.00 179.01 180.75 1u4r h TYR 61 N 0.08 1.14 -0.47 4.33 -1.99 0.13 -1.30 116.97 118.89 1u4r h TYR 61 Ca 0.04 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 1u4r h TYR 61 Cb 0.61 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1u4r h TYR 61 CO 0.07 0.58 0.20 0.82 -0.00 0.00 0.00 178.16 179.83 1u4r h ILE 62 N 1.11 1.20 -0.25 -2.88 2.04 -0.51 -2.24 117.51 115.98 1u4r h ILE 62 Ca 0.42 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.55 1u4r h ILE 62 Cb 0.19 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1u4r h ILE 62 CO -0.18 0.23 -0.34 -1.13 0.00 0.00 0.00 178.15 176.73 1u4r h ASN 63 N 0.62 0.57 -0.13 1.72 -1.24 -1.30 -3.11 115.58 112.70 1u4r h ASN 63 Ca 0.16 -0.23 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 1u4r h ASN 63 Cb 0.17 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 1u4r h ASN 63 CO -0.02 0.87 -0.01 0.28 -1.29 0.00 0.00 177.43 177.26 1u4r h SER 64 N 0.46 0.24 -0.62 1.15 0.02 -1.11 -3.13 113.55 110.56 1u4r h SER 64 Ca 0.05 -0.34 0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1u4r h SER 64 Cb 0.81 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1u4r h SER 64 CO 0.07 0.52 0.42 -0.07 -1.14 0.00 0.00 176.83 176.62 1u4r h LEU 65 N -0.05 0.34 -2.07 5.07 3.38 -1.40 -0.99 115.31 119.59 1u4r h LEU 65 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1u4r h LEU 65 Cb 0.40 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1u4r h LEU 65 CO 0.01 0.20 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 1u4r n GLU 66 N -4.46 2.68 -3.74 1.13 1.02 -1.18 -4.65 120.64 111.44 1u4r n GLU 66 Ca 0.11 -1.70 -0.30 0.00 -0.02 0.00 0.00 57.16 55.25 1u4r n GLU 66 Cb 0.42 -1.66 -0.15 0.00 -0.02 0.00 0.00 31.44 30.03 1u4r n GLU 66 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1u4r s MET 67 N -1.75 0.72 0.00 3.49 -1.94 -0.38 -5.09 119.30 114.36 1u4r s MET 67 Ca 0.30 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 1u4r s MET 67 Cb 0.20 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 35.04 1u4r s MET 67 CO 0.14 -0.96 0.00 0.43 -0.01 0.00 0.00 175.02 174.62