#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 1.21 -6.45 1.43 0.13 -2.15 -3.44 132.00 122.74 1u4r h PRO 2 Ca 0.00 -0.07 -0.61 0.00 -0.87 0.00 0.00 66.00 64.45 1u4r h PRO 2 Cb 0.00 -0.27 -0.22 0.00 0.13 0.00 0.00 31.00 30.64 1u4r h PRO 2 CO 0.00 0.80 -0.84 0.71 -0.23 0.00 0.00 178.00 178.44 1u4r s TYR 3 N -6.09 2.00 0.16 1.56 1.51 -1.26 -5.14 117.35 110.10 1u4r s TYR 3 Ca -0.13 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.59 1u4r s TYR 3 Cb 0.19 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1u4r s TYR 3 CO 0.81 0.27 0.05 -1.12 -1.11 0.00 0.00 175.55 174.46 1u4r s SER 4 N -2.03 5.10 0.40 2.29 0.01 -1.26 -5.08 113.70 113.13 1u4r s SER 4 Ca 0.10 -0.26 -0.27 0.00 1.31 0.00 0.00 55.95 56.84 1u4r s SER 4 Cb -0.10 -1.21 -0.09 0.00 0.21 0.00 0.00 66.02 64.83 1u4r s SER 4 CO 0.05 0.09 1.33 -0.44 0.41 0.00 0.00 173.24 174.69 1u4r s SER 5 N -2.91 6.34 -0.10 2.44 0.01 -1.26 -4.94 113.70 113.28 1u4r s SER 5 Ca 0.29 2.72 0.14 0.00 1.31 0.00 0.00 55.95 60.41 1u4r s SER 5 Cb -0.10 -2.64 0.30 0.00 0.21 0.00 0.00 66.02 63.79 1u4r s SER 5 CO 0.20 -0.83 1.14 -0.90 0.41 0.00 0.00 173.24 173.26 1u4r n ASP 6 N 0.23 1.39 -4.79 2.44 5.68 -1.26 -5.05 116.55 115.19 1u4r n ASP 6 Ca 0.03 -2.88 -0.39 0.00 -0.50 0.00 0.00 54.79 51.05 1u4r n ASP 6 Cb 0.43 -0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 39.96 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 -1.79 4.50 -0.22 2.12 -4.23 -1.26 -5.06 115.64 109.70 1u4r s THR 7 Ca 0.28 1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 62.22 1u4r s THR 7 Cb 0.27 -4.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1u4r s THR 7 CO -0.05 0.47 0.03 -0.89 -0.54 0.00 0.00 174.62 173.64 1u4r s THR 8 N -1.22 4.17 -0.12 3.99 2.01 -1.26 -5.06 115.64 118.15 1u4r s THR 8 Ca 0.35 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1u4r s THR 8 Cb -0.21 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1u4r s THR 8 CO 0.23 0.39 1.43 -2.16 -0.69 0.00 0.00 174.62 173.83 1u4r s PRO 9 N 1.21 4.21 0.34 4.92 0.04 -1.26 -5.01 135.00 139.44 1u4r s PRO 9 Ca 0.04 1.88 0.09 0.00 0.04 0.00 0.00 61.00 63.06 1u4r s PRO 9 Cb -0.14 -3.86 -0.06 0.00 0.04 0.00 0.00 34.50 30.47 1u4r s PRO 9 CO 0.02 -0.77 -0.05 0.00 0.04 0.00 0.00 177.00 176.25 1u4r n PHE 12 N 1.53 0.00 -4.00 0.00 3.72 -1.26 -4.60 117.46 112.85 1u4r n PHE 12 Ca -0.16 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.15 1u4r n PHE 12 Cb 0.52 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.96 1u4r n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u4r s ALA 13 N -0.30 0.20 -0.08 4.37 0.00 -1.26 -5.16 121.76 119.54 1u4r s ALA 13 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1u4r s ALA 13 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1u4r s ALA 13 CO 0.00 -0.32 -0.20 0.71 0.00 0.00 0.00 175.76 175.95 1u4r s TYR 14 N -2.98 2.15 0.48 0.00 2.02 -1.26 -4.69 117.35 113.08 1u4r s TYR 14 Ca -0.02 -0.79 -0.23 0.00 -0.37 0.00 0.00 57.07 55.67 1u4r s TYR 14 Cb 0.01 -1.45 -0.07 0.00 -0.40 0.00 0.00 41.96 40.05 1u4r s TYR 14 CO -0.06 -0.31 1.29 -1.50 -1.57 0.00 0.00 175.55 173.40 1u4r s ILE 15 N 0.27 2.51 -0.06 2.71 2.07 -0.54 -4.97 121.20 123.20 1u4r s ILE 15 Ca -0.13 0.40 -0.04 0.00 -1.41 0.00 0.00 60.65 59.47 1u4r s ILE 15 Cb -0.16 -3.21 -0.01 0.00 0.13 0.00 0.00 42.46 39.21 1u4r s ILE 15 CO 0.06 0.01 -0.08 0.00 -1.91 0.00 0.00 174.94 173.02 1u4r n ALA 16 N -0.58 0.21 -1.89 1.50 0.00 -1.26 -4.71 120.51 113.79 1u4r n ALA 16 Ca 0.08 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1u4r n ALA 16 Cb 0.45 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1u4r n ALA 16 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1u4r s ARG 17 N -1.54 4.20 0.41 0.00 1.70 -1.26 -4.90 118.95 117.56 1u4r s ARG 17 Ca -0.07 2.40 -0.24 0.00 -0.47 0.00 0.00 55.73 57.36 1u4r s ARG 17 Cb 0.01 -3.13 -0.12 0.00 -0.57 0.00 0.00 34.95 31.15 1u4r s ARG 17 CO 0.10 -0.61 0.81 -2.30 -1.08 0.00 0.00 175.30 172.22 1u4r n PRO 18 N 3.66 0.97 -2.65 3.89 -0.02 -1.26 -4.91 135.00 134.68 1u4r n PRO 18 Ca 0.13 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.56 1u4r n PRO 18 Cb 0.38 -1.78 -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 0.51 4.58 0.10 2.45 2.96 -1.26 -4.96 118.68 123.06 1u4r s LEU 19 Ca 0.63 2.02 -0.34 0.00 -0.22 0.00 0.00 54.13 56.22 1u4r s LEU 19 Cb -0.59 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 42.35 1u4r s LEU 19 CO 0.57 -0.00 1.62 -2.65 -1.32 0.00 0.00 176.35 174.57 1u4r n PRO 20 N 1.77 2.08 -0.01 0.98 -0.02 -1.26 -4.87 135.00 133.67 1u4r n PRO 20 Ca -0.00 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 1u4r n PRO 20 Cb 0.47 -2.53 0.08 0.00 -0.02 0.00 0.00 33.50 31.50 1u4r n PRO 20 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1u4r h ARG 21 N 6.51 0.57 -6.32 -0.52 9.65 -2.03 -3.44 114.38 118.81 1u4r h ARG 21 Ca -0.46 -0.33 -0.66 0.00 -1.10 0.00 0.00 59.98 57.44 1u4r h ARG 21 Cb 1.26 0.02 0.07 0.00 -1.39 0.00 0.00 29.97 29.93 1u4r h ARG 21 CO 0.89 0.92 0.36 0.00 2.80 0.00 0.00 179.97 184.95 1u4r n ALA 22 N -2.51 -0.76 -1.74 2.80 0.00 -1.26 -2.55 120.51 114.47 1u4r n ALA 22 Ca -0.02 0.48 -0.18 0.00 0.00 0.00 0.00 53.44 53.72 1u4r n ALA 22 Cb 0.56 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.89 1u4r n ALA 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u4r n HIS 23 N 1.96 -0.39 -1.95 0.00 8.25 -1.26 -4.85 115.22 116.98 1u4r n HIS 23 Ca 0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 1u4r n HIS 23 Cb 0.23 -3.25 -0.02 0.00 1.12 0.00 0.00 29.99 28.07 1u4r n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1u4r s ILE 24 N -2.62 2.46 -0.16 1.59 -1.09 -1.06 -3.57 121.20 116.75 1u4r s ILE 24 Ca 0.00 0.41 -0.19 0.00 -2.23 0.00 0.00 60.65 58.64 1u4r s ILE 24 Cb 0.00 -3.26 -0.16 0.00 -1.58 0.00 0.00 42.46 37.45 1u4r s ILE 24 CO 0.00 0.08 0.31 0.11 -1.23 0.00 0.00 174.94 174.21 1u4r h LYS 25 N 4.36 0.00 -3.76 2.79 1.57 -1.23 -3.48 116.57 116.83 1u4r h LYS 25 Ca -0.47 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.10 1u4r h LYS 25 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1u4r h LYS 25 CO 0.74 0.72 -0.03 -2.00 -0.57 0.00 0.00 179.45 178.30 1u4r s GLU 26 N -2.19 2.05 0.08 3.15 2.56 -1.19 -5.01 118.70 118.15 1u4r s GLU 26 Ca -0.20 -1.68 -0.09 0.00 0.00 0.00 0.00 54.97 53.00 1u4r s GLU 26 Cb 0.02 0.51 0.00 0.00 2.00 0.00 0.00 34.13 36.65 1u4r s GLU 26 CO 0.49 -0.89 0.21 1.52 -0.56 0.00 0.00 175.26 176.02 1u4r s TYR 27 N -2.73 0.10 -0.09 5.30 -0.85 -1.26 -0.94 117.35 116.89 1u4r s TYR 27 Ca 0.26 -0.48 -0.31 0.00 -0.52 0.00 0.00 57.07 56.02 1u4r s TYR 27 Cb -0.02 -0.03 0.09 0.00 0.38 0.00 0.00 41.96 42.38 1u4r s TYR 27 CO 0.18 -0.53 0.79 -0.59 -1.52 0.00 0.00 175.55 173.88 1u4r s PHE 28 N -3.59 -0.55 -0.06 -3.49 -0.12 -0.29 -4.96 117.98 104.91 1u4r s PHE 28 Ca 0.03 0.94 -0.20 0.00 -0.05 0.00 0.00 56.93 57.65 1u4r s PHE 28 Cb 0.04 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1u4r s PHE 28 CO -0.10 -0.52 0.56 0.71 -0.05 0.00 0.00 175.22 175.83 1u4r s TYR 29 N -1.20 3.60 0.65 3.49 2.02 -1.26 0.64 117.35 125.29 1u4r s TYR 29 Ca -0.07 1.08 -0.17 0.00 -0.37 0.00 0.00 57.07 57.53 1u4r s TYR 29 Cb -0.00 -2.61 -0.01 0.00 -0.40 0.00 0.00 41.96 38.94 1u4r s TYR 29 CO 0.07 0.24 1.23 0.95 -1.57 0.00 0.00 175.55 176.47 1u4r s THR 30 N 0.27 2.40 0.42 -0.71 -4.23 -0.35 -4.91 115.64 108.53 1u4r s THR 30 Ca 0.30 0.23 -0.24 0.00 -1.18 0.00 0.00 61.69 60.81 1u4r s THR 30 Cb -0.17 -3.00 -0.11 0.00 1.34 0.00 0.00 72.50 70.56 1u4r s THR 30 CO 0.15 -0.07 0.89 -0.24 -0.54 0.00 0.00 174.62 174.80 1u4r n SER 31 N -2.00 0.67 0.26 3.99 2.88 -1.26 -4.68 113.62 113.48 1u4r n SER 31 Ca 0.14 1.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.83 1u4r n SER 31 Cb 0.49 -1.29 0.85 0.00 -0.75 0.00 0.00 64.21 63.52 1u4r n SER 31 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1u4r h GLY 32 N 1.32 0.00 1.05 0.46 0.00 -1.97 -1.27 103.07 102.65 1u4r h GLY 32 Ca -0.43 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.96 1u4r h GLY 32 CO 0.55 0.00 0.48 0.50 0.00 0.00 0.00 176.54 178.08 1u4r h LYS 33 N 0.00 0.77 -7.19 4.80 1.57 -1.99 -3.43 116.57 111.10 1u4r h LYS 33 Ca 0.03 -0.05 -0.54 0.00 -1.87 0.00 0.00 60.65 58.23 1u4r h LYS 33 Cb 0.19 -0.17 0.18 0.00 0.08 0.00 0.00 32.23 32.50 1u4r h LYS 33 CO -0.00 0.51 0.38 0.00 -0.57 0.00 0.00 179.45 179.77 1u4r h SER 35 N -0.58 0.24 -3.29 0.00 4.64 -1.87 -3.43 113.55 109.25 1u4r h SER 35 Ca -0.47 -0.15 -0.67 0.00 -0.47 0.00 0.00 61.79 60.03 1u4r h SER 35 Cb 1.30 -0.07 -0.31 0.00 -0.31 0.00 0.00 62.40 63.02 1u4r h SER 35 CO 0.48 0.83 -0.83 0.20 -0.87 0.00 0.00 176.83 176.64 1u4r s ASN 36 N -6.90 3.50 0.51 4.97 0.01 -1.26 -5.11 114.94 110.66 1u4r s ASN 36 Ca -0.03 -0.48 -0.22 0.00 -0.71 0.00 0.00 52.86 51.42 1u4r s ASN 36 Cb 0.12 -1.51 -0.06 0.00 0.41 0.00 0.00 41.25 40.20 1u4r s ASN 36 CO 0.80 0.12 1.22 -2.84 -1.51 0.00 0.00 177.10 174.89 1u4r s PRO 37 N 0.57 3.45 0.08 -0.60 0.02 -1.26 -4.66 135.00 132.59 1u4r s PRO 37 Ca -0.11 1.89 -0.26 0.00 0.02 0.00 0.00 61.00 62.54 1u4r s PRO 37 Cb -0.16 -2.27 0.09 0.00 0.02 0.00 0.00 34.50 32.18 1u4r s PRO 37 CO 0.04 -0.84 0.75 0.00 -0.33 0.00 0.00 177.00 176.61 1u4r s ALA 38 N -1.51 -1.71 -0.14 -1.55 0.00 -1.26 -4.85 121.76 110.74 1u4r s ALA 38 Ca 0.68 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 1u4r s ALA 38 Cb -0.32 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1u4r s ALA 38 CO 0.37 -0.74 -0.06 0.08 0.00 0.00 0.00 175.76 175.41 1u4r s VAL 39 N -3.44 3.66 -0.18 0.00 1.01 -0.94 -1.21 120.40 119.29 1u4r s VAL 39 Ca 0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1u4r s VAL 39 Cb -0.01 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1u4r s VAL 39 CO -0.11 0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 174.71 1u4r s VAL 40 N 0.25 2.97 -0.26 2.92 1.01 0.21 -1.06 120.40 126.44 1u4r s VAL 40 Ca -0.04 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1u4r s VAL 40 Cb -0.14 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1u4r s VAL 40 CO 0.04 0.48 0.20 -0.36 0.00 0.00 0.00 175.10 175.45 1u4r s PHE 41 N 1.09 3.27 -0.62 5.22 0.08 -0.04 -1.14 117.98 125.83 1u4r s PHE 41 Ca 0.00 0.20 -0.21 0.00 0.12 0.00 0.00 56.93 57.04 1u4r s PHE 41 Cb -0.15 -2.35 0.08 0.00 -0.57 0.00 0.00 43.02 40.03 1u4r s PHE 41 CO -0.03 -0.07 0.86 0.08 -0.10 0.00 0.00 175.22 175.97 1u4r s VAL 42 N 1.48 4.51 1.17 -0.44 1.01 -0.11 -0.69 120.40 127.34 1u4r s VAL 42 Ca 0.08 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1u4r s VAL 42 Cb -0.15 -4.59 0.27 0.00 0.00 0.00 0.00 36.38 31.92 1u4r s VAL 42 CO 0.08 -1.28 1.05 0.42 0.00 0.00 0.00 175.10 175.38 1u4r s THR 43 N 3.55 1.76 0.41 3.92 -4.23 0.86 -0.87 115.64 121.04 1u4r s THR 43 Ca 0.19 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.91 1u4r s THR 43 Cb -0.19 -2.32 0.22 0.00 1.34 0.00 0.00 72.50 71.55 1u4r s THR 43 CO 0.10 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.18 1u4r h ALA 44 N -2.54 1.44 -0.19 3.99 0.00 -1.89 0.35 119.26 120.42 1u4r h ALA 44 Ca -0.52 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1u4r h ALA 44 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u4r h ALA 44 CO 0.45 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1u4r n ALA 45 N -2.39 2.65 -1.55 0.00 0.00 -1.26 -4.84 120.51 113.12 1u4r n ALA 45 Ca -0.02 -0.45 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 1u4r n ALA 45 Cb 0.27 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 1u4r n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1u4r n ASN 46 N 0.15 -4.71 -4.73 0.00 2.04 0.11 -4.98 115.26 103.14 1u4r n ASN 46 Ca 0.07 0.30 -0.39 0.00 -0.44 0.00 0.00 54.58 54.13 1u4r n ASN 46 Cb 0.33 -3.55 -0.05 0.00 -2.53 0.00 0.00 39.78 33.97 1u4r n ASN 46 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1u4r s ALA 47 N -2.57 3.39 -0.58 -2.53 0.00 -1.25 -4.77 121.76 113.44 1u4r s ALA 47 Ca 0.00 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 1u4r s ALA 47 Cb 0.00 -2.90 0.11 0.00 0.00 0.00 0.00 23.12 20.33 1u4r s ALA 47 CO 0.00 0.01 0.65 -0.65 0.00 0.00 0.00 175.76 175.76 1u4r s GLN 48 N 0.35 3.03 -0.12 0.00 -0.21 -1.26 -0.10 119.66 121.35 1u4r s GLN 48 Ca 0.36 -1.45 -0.13 0.00 0.02 0.00 0.00 55.36 54.16 1u4r s GLN 48 Cb -0.18 -4.28 -0.05 0.00 1.00 0.00 0.00 33.01 29.50 1u4r s GLN 48 CO 0.19 -1.48 0.30 0.08 -2.12 0.00 0.00 175.29 172.25 1u4r s VAL 49 N 2.35 5.28 -0.05 1.09 1.01 0.14 -4.87 120.40 125.34 1u4r s VAL 49 Ca 0.09 0.56 -0.27 0.00 0.00 0.00 0.00 61.98 62.37 1u4r s VAL 49 Cb -0.26 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1u4r s VAL 49 CO 0.05 0.47 0.85 0.00 0.00 0.00 0.00 175.10 176.47 1u4r s ALA 51 N 1.07 0.98 -0.36 0.00 0.00 -0.22 -1.46 121.76 121.77 1u4r s ALA 51 Ca 0.45 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 51.34 1u4r s ALA 51 Cb -0.19 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1u4r s ALA 51 CO 0.22 0.14 0.87 1.21 0.00 0.00 0.00 175.76 178.20 1u4r s ASN 52 N -1.35 6.64 0.00 0.00 3.84 -1.26 -2.23 114.94 120.58 1u4r s ASN 52 Ca -0.02 0.52 0.00 0.00 0.21 0.00 0.00 52.86 53.57 1u4r s ASN 52 Cb -0.09 -2.44 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1u4r s ASN 52 CO 0.01 -0.79 0.75 -0.81 -2.79 0.00 0.00 177.10 173.47 1u4r n PRO 53 N 6.60 0.00 0.03 0.43 -0.04 -1.26 -1.58 135.00 139.18 1u4r n PRO 53 Ca 0.05 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 1u4r n PRO 53 Cb 0.48 -1.52 0.13 0.00 -0.04 0.00 0.00 33.50 32.55 1u4r n PRO 53 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1u4r n GLU 54 N -1.25 0.21 -2.47 0.54 1.02 -1.26 -4.62 120.64 112.80 1u4r n GLU 54 Ca 0.00 0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.79 1u4r n GLU 54 Cb 0.02 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 1u4r n GLU 54 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1u4r s LYS 55 N -3.13 4.32 0.10 3.49 -0.14 -0.61 -4.94 119.74 118.83 1u4r s LYS 55 Ca 0.07 1.69 -0.27 0.00 -1.36 0.00 0.00 55.97 56.09 1u4r s LYS 55 Cb 0.15 -2.81 -0.10 0.00 -1.68 0.00 0.00 37.83 33.39 1u4r s LYS 55 CO 0.75 -0.05 1.65 -0.22 -0.76 0.00 0.00 175.35 176.72 1u4r h LYS 56 N 3.01 -0.46 -0.44 1.68 1.63 -1.91 -1.34 116.57 118.74 1u4r h LYS 56 Ca -0.48 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.37 1u4r h LYS 56 Cb 1.22 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.93 1u4r h LYS 56 CO 0.64 -0.31 0.29 0.11 -3.45 0.00 0.00 179.45 176.73 1u4r h TRP 57 N -0.48 0.51 -0.18 1.91 5.08 -1.96 0.19 115.95 121.03 1u4r h TRP 57 Ca 0.01 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.97 1u4r h TRP 57 Cb 0.47 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.46 1u4r h TRP 57 CO -0.20 0.31 0.02 0.28 -1.28 0.00 0.00 178.44 177.57 1u4r h VAL 58 N 0.54 1.24 -0.93 0.12 2.07 -1.71 0.07 116.25 117.65 1u4r h VAL 58 Ca 0.17 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1u4r h VAL 58 Cb 0.02 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1u4r h VAL 58 CO -0.04 0.24 0.61 0.03 0.02 0.00 0.00 177.57 178.43 1u4r h ARG 59 N 0.08 1.04 0.69 1.57 3.08 -0.51 -2.59 114.38 117.74 1u4r h ARG 59 Ca 0.05 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1u4r h ARG 59 Cb 0.35 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.17 1u4r h ARG 59 CO 0.01 0.69 -0.33 0.93 -1.07 0.00 0.00 179.97 180.19 1u4r h GLU 60 N 1.07 -0.89 -0.68 0.04 5.08 -0.54 -3.11 114.58 115.55 1u4r h GLU 60 Ca 0.40 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.97 1u4r h GLU 60 Cb 0.18 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 29.52 1u4r h GLU 60 CO -0.15 -0.60 0.01 1.88 -1.00 0.00 0.00 179.01 179.15 1u4r h TYR 61 N -1.13 -0.04 0.16 4.33 -1.99 -0.90 0.12 116.97 117.53 1u4r h TYR 61 Ca -0.09 0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.70 1u4r h TYR 61 Cb 0.71 0.12 -0.04 0.00 2.00 0.00 0.00 36.73 39.52 1u4r h TYR 61 CO 0.02 -0.19 -0.41 0.82 -0.00 0.00 0.00 178.16 178.40 1u4r h ILE 62 N 0.12 0.17 -0.88 -2.88 2.04 -1.54 0.55 117.51 115.09 1u4r h ILE 62 Ca 0.36 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.33 1u4r h ILE 62 Cb 0.61 0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 1u4r h ILE 62 CO -0.58 0.00 0.51 -1.13 0.00 0.00 0.00 178.15 176.95 1u4r h ASN 63 N -0.67 0.73 -0.52 1.72 -0.73 -1.29 -1.11 115.58 113.71 1u4r h ASN 63 Ca 0.01 0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.18 1u4r h ASN 63 Cb 0.68 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 1u4r h ASN 63 CO -0.21 0.40 0.12 -1.28 -0.37 0.00 0.00 177.43 176.09 1u4r h SER 64 N 0.83 0.79 -0.57 1.15 0.87 0.07 -2.39 113.55 114.30 1u4r h SER 64 Ca 0.43 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1u4r h SER 64 Cb 0.43 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1u4r h SER 64 CO -0.27 0.82 0.31 -0.07 -0.53 0.00 0.00 176.83 177.10 1u4r h LEU 65 N 0.73 0.71 -0.72 2.23 3.38 0.12 -2.37 115.31 119.37 1u4r h LEU 65 Ca 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1u4r h LEU 65 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1u4r h LEU 65 CO 0.00 0.59 0.00 -0.33 0.09 0.00 0.00 178.44 178.80 1u4r h GLU 66 N 0.76 0.00 -0.26 1.13 5.08 -1.11 -2.41 114.58 117.77 1u4r h GLU 66 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1u4r h GLU 66 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1u4r h GLU 66 CO -0.03 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.65 1u4r n MET 67 N -2.38 2.43 0.00 2.33 2.81 -0.91 -5.10 117.12 116.30 1u4r n MET 67 Ca 0.02 -2.13 0.00 0.00 -1.81 0.00 0.00 57.70 53.78 1u4r n MET 67 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1u4r n MET 67 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93