#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r s VAL 2 N 0.00 0.02 0.59 0.00 0.11 -1.26 -5.15 120.40 114.70 3i1r s VAL 2 Ca 0.00 -0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 3i1r s VAL 2 Cb 0.00 -0.69 -0.10 0.00 -1.53 0.00 0.00 36.38 34.06 3i1r s VAL 2 CO 0.00 -0.08 -0.45 0.00 -3.33 0.00 0.00 175.10 171.24 3i1r n GLN 3 N 2.05 0.00 -0.09 1.54 10.64 -1.26 -4.95 117.38 125.31 3i1r n GLN 3 Ca -0.17 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.87 3i1r n GLN 3 Cb 0.57 -0.64 -0.08 0.00 -0.86 0.00 0.00 30.24 29.23 3i1r n GLN 3 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3i1r n GLN 4 N 1.50 0.43 -5.05 2.61 6.02 -1.26 -5.00 117.38 116.64 3i1r n GLN 4 Ca -0.00 0.11 -0.32 0.00 -0.01 0.00 0.00 57.00 56.78 3i1r n GLN 4 Cb 0.35 -1.33 -0.14 0.00 1.02 0.00 0.00 30.24 30.14 3i1r n GLN 4 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3i1r s ASN 5 N -5.84 3.55 0.00 1.08 -0.87 -1.26 -5.08 114.94 106.53 3i1r s ASN 5 Ca -0.24 -0.35 -0.30 0.00 -1.57 0.00 0.00 52.86 50.40 3i1r s ASN 5 Cb 0.07 -0.58 -0.08 0.00 -0.02 0.00 0.00 41.25 40.63 3i1r s ASN 5 CO 0.40 0.32 1.92 -0.75 -2.57 0.00 0.00 177.10 176.42 3i1r s LYS 6 N -0.78 4.09 0.62 -0.60 2.20 -1.26 -4.95 119.74 119.06 3i1r s LYS 6 Ca 0.11 2.49 -0.17 0.00 -0.36 0.00 0.00 55.97 58.04 3i1r s LYS 6 Cb -0.10 -4.14 -0.08 0.00 -1.51 0.00 0.00 37.83 31.99 3i1r s LYS 6 CO 0.00 -1.00 0.40 -2.30 -0.36 0.00 0.00 175.35 172.09 3i1r n PRO 7 N 7.54 0.37 -2.56 4.03 -0.02 -1.26 -5.00 135.00 138.10 3i1r n PRO 7 Ca 0.20 0.15 -0.28 0.00 -2.02 0.00 0.00 63.50 61.55 3i1r n PRO 7 Cb 0.42 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3i1r n PRO 7 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i1r s THR 8 N -1.81 4.86 -0.31 3.45 -4.23 -1.26 -4.92 115.64 111.42 3i1r s THR 8 Ca 0.65 0.37 0.24 0.00 -1.18 0.00 0.00 61.69 61.78 3i1r s THR 8 Cb -0.42 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 69.83 3i1r s THR 8 CO 0.58 -0.84 1.72 0.08 -0.54 0.00 0.00 174.62 175.62 3i1r h ARG 9 N 0.33 0.00 0.10 3.99 -0.00 -2.00 -1.90 114.38 114.89 3i1r h ARG 9 Ca -0.47 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.20 3i1r h ARG 9 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.15 3i1r h ARG 9 CO 0.62 0.00 -1.68 1.03 -0.00 0.00 0.00 179.97 179.94 3i1r h SER 10 N 0.00 0.32 0.10 0.08 0.87 -2.00 -3.13 113.55 109.79 3i1r h SER 10 Ca 0.00 -0.54 -0.10 0.00 -1.23 0.00 0.00 61.79 59.92 3i1r h SER 10 Cb 0.22 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3i1r h SER 10 CO 0.00 1.47 -0.33 0.50 -0.53 0.00 0.00 176.83 177.94 3i1r h LYS 11 N 0.06 0.34 0.26 2.24 1.63 -1.73 -1.57 116.57 117.80 3i1r h LYS 11 Ca -0.29 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 3i1r h LYS 11 Cb 2.02 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.63 3i1r h LYS 11 CO 0.13 0.63 -0.23 -0.09 -3.45 0.00 0.00 179.45 176.44 3i1r h ARG 12 N 0.29 -0.47 -0.50 1.90 2.43 -1.54 0.66 114.38 117.16 3i1r h ARG 12 Ca 0.04 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3i1r h ARG 12 Cb 0.72 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.27 3i1r h ARG 12 CO 0.05 -0.31 -0.28 0.78 -1.51 0.00 0.00 179.97 178.70 3i1r h GLY 13 N -0.48 -0.04 -0.20 2.80 0.00 -1.48 0.40 103.07 104.06 3i1r h GLY 13 Ca -0.03 0.36 0.10 0.00 0.00 0.00 0.00 47.33 47.76 3i1r h GLY 13 CO -0.01 -0.21 -0.24 -0.33 0.00 0.00 0.00 176.54 175.74 3i1r h MET 14 N -0.17 -0.12 -0.49 4.80 2.86 -0.85 1.51 114.93 122.47 3i1r h MET 14 Ca 0.22 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 58.01 3i1r h MET 14 Cb 0.52 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3i1r h MET 14 CO -0.60 -0.08 0.40 -0.09 1.06 0.00 0.00 176.91 177.60 3i1r h ARG 15 N -0.12 0.00 0.00 1.72 2.43 0.24 -1.81 114.38 116.84 3i1r h ARG 15 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3i1r h ARG 15 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3i1r h ARG 15 CO -0.59 0.00 -0.65 0.54 -1.51 0.00 0.00 179.97 177.76 3i1r n ARG 16 N -4.15 0.15 -0.45 0.20 1.74 0.50 -4.42 116.66 110.23 3i1r n ARG 16 Ca 0.09 0.03 0.37 0.00 -0.77 0.00 0.00 57.85 57.56 3i1r n ARG 16 Cb 0.61 -1.58 0.57 0.00 -1.02 0.00 0.00 32.46 31.04 3i1r n ARG 16 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i1r n SER 17 N -1.78 0.00 -0.92 0.55 3.41 -0.35 0.30 113.62 114.83 3i1r n SER 17 Ca 0.04 0.74 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 3i1r n SER 17 Cb 0.39 -0.34 0.13 0.00 -0.26 0.00 0.00 64.21 64.12 3i1r n SER 17 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3i1r n HIS 18 N -3.33 0.16 0.71 7.33 8.25 -1.26 -4.47 115.22 122.60 3i1r n HIS 18 Ca 0.31 -0.09 0.11 0.00 -0.26 0.00 0.00 57.72 57.79 3i1r n HIS 18 Cb 1.51 -0.00 0.47 0.00 1.12 0.00 0.00 29.99 33.09 3i1r n HIS 18 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3i1r n ASP 19 N 1.24 0.17 -4.76 0.41 10.43 0.88 -4.91 116.55 120.00 3i1r n ASP 19 Ca 0.14 0.53 -0.39 0.00 2.57 0.00 0.00 54.79 57.64 3i1r n ASP 19 Cb 0.54 -0.57 0.00 0.00 1.84 0.00 0.00 41.12 42.94 3i1r n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1r s ALA 20 N -3.05 3.10 0.55 2.24 0.00 -1.26 -5.00 121.76 118.35 3i1r s ALA 20 Ca 0.10 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 3i1r s ALA 20 Cb 0.14 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3i1r s ALA 20 CO 0.43 -0.88 1.00 -0.51 0.00 0.00 0.00 175.76 175.80 3i1r s LEU 21 N -2.78 3.50 -0.19 0.00 1.43 -1.26 -5.06 118.68 114.31 3i1r s LEU 21 Ca 0.61 1.53 -0.07 0.00 -1.03 0.00 0.00 54.13 55.18 3i1r s LEU 21 Cb -0.36 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.32 3i1r s LEU 21 CO 0.45 -0.70 0.05 -0.89 0.23 0.00 0.00 176.35 175.49 3i1r s THR 22 N -2.79 4.63 0.49 5.49 2.01 -1.26 -5.09 115.64 119.13 3i1r s THR 22 Ca 0.58 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.28 3i1r s THR 22 Cb -0.10 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.24 3i1r s THR 22 CO 0.38 0.45 1.10 0.00 -0.69 0.00 0.00 174.62 175.87 3i1r s ALA 23 N 0.50 2.85 -0.01 7.40 0.00 -1.26 -4.99 121.76 126.25 3i1r s ALA 23 Ca 0.02 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 3i1r s ALA 23 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3i1r s ALA 23 CO 0.01 -0.55 0.61 0.28 0.00 0.00 0.00 175.76 176.11 3i1r h VAL 24 N 1.57 0.00 0.00 0.00 2.07 -2.05 -3.46 116.25 114.38 3i1r h VAL 24 Ca -0.50 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3i1r h VAL 24 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3i1r h VAL 24 CO 0.59 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.53 3i1r n THR 25 N -3.19 0.00 -0.02 2.57 -2.24 -1.26 -4.75 114.28 105.39 3i1r n THR 25 Ca -0.03 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.83 3i1r n THR 25 Cb 0.10 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.60 3i1r n THR 25 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3i1r n SER 26 N 0.31 3.54 -4.89 3.42 2.88 -1.26 -4.94 113.62 112.69 3i1r n SER 26 Ca 0.00 -2.20 -0.31 0.00 -1.33 0.00 0.00 58.87 55.03 3i1r n SER 26 Cb 0.00 -0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 62.95 3i1r n SER 26 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 3i1r s LEU 27 N -1.31 4.18 0.20 2.46 2.34 -1.26 -3.48 118.68 121.81 3i1r s LEU 27 Ca 0.40 0.79 0.01 0.00 0.06 0.00 0.00 54.13 55.38 3i1r s LEU 27 Cb 0.24 -3.55 -0.05 0.00 -0.56 0.00 0.00 46.19 42.27 3i1r s LEU 27 CO 0.23 -0.06 0.06 -0.94 -1.06 0.00 0.00 176.35 174.59 3i1r s SER 28 N -2.51 0.92 0.13 1.48 1.04 -0.77 -4.95 113.70 109.03 3i1r s SER 28 Ca 0.45 -1.29 -0.09 0.00 0.48 0.00 0.00 55.95 55.50 3i1r s SER 28 Cb -0.11 0.20 -0.06 0.00 0.10 0.00 0.00 66.02 66.14 3i1r s SER 28 CO 0.24 -0.69 0.43 -0.69 0.98 0.00 0.00 173.24 173.50 3i1r s VAL 29 N -3.82 5.07 0.11 5.02 1.01 -1.26 -1.78 120.40 124.75 3i1r s VAL 29 Ca 0.32 0.37 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 3i1r s VAL 29 Cb 0.07 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3i1r s VAL 29 CO 0.09 0.16 0.85 -0.62 0.00 0.00 0.00 175.10 175.57 3i1r s ASP 30 N -2.04 7.39 0.28 3.32 3.68 -0.75 -4.96 116.67 123.59 3i1r s ASP 30 Ca 0.38 1.65 -0.01 0.00 2.13 0.00 0.00 52.55 56.71 3i1r s ASP 30 Cb -0.13 -2.53 0.42 0.00 -1.45 0.00 0.00 42.92 39.23 3i1r s ASP 30 CO 0.20 0.04 1.83 0.07 0.13 0.00 0.00 175.17 177.45 3i1r h LYS 31 N 5.21 0.80 0.13 4.34 2.10 -1.92 -3.27 116.57 123.96 3i1r h LYS 31 Ca -0.44 -0.16 -0.35 0.00 -2.00 0.00 0.00 60.65 57.69 3i1r h LYS 31 Cb 1.21 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 3i1r h LYS 31 CO 0.70 0.73 -1.90 1.15 -2.00 0.00 0.00 179.45 178.13 3i1r h THR 32 N 0.77 0.74 -1.66 0.07 2.02 -1.93 -3.47 112.91 109.44 3i1r h THR 32 Ca 0.17 -2.43 -0.51 0.00 0.77 0.00 0.00 66.41 64.41 3i1r h THR 32 Cb 0.30 2.57 -0.05 0.00 -1.74 0.00 0.00 68.15 69.24 3i1r h THR 32 CO 0.00 0.86 -0.43 -0.94 0.37 0.00 0.00 175.52 175.38 3i1r s SER 33 N -7.03 4.98 0.00 4.18 1.04 -1.23 -5.07 113.70 110.57 3i1r s SER 33 Ca -0.19 -0.73 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 3i1r s SER 33 Cb 0.06 -0.68 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 3i1r s SER 33 CO 0.80 -0.52 0.85 1.23 0.98 0.00 0.00 173.24 176.58 3i1r h GLY 34 N 1.21 -0.14 -1.01 7.32 0.00 -1.92 -3.35 103.07 105.17 3i1r h GLY 34 Ca -0.43 0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3i1r h GLY 34 CO 0.60 -0.05 0.00 1.18 0.00 0.00 0.00 176.54 178.27 3i1r n GLU 35 N -2.43 0.00 -3.34 4.80 -0.58 -1.26 -3.77 120.64 114.05 3i1r n GLU 35 Ca -0.02 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.52 3i1r n GLU 35 Cb 0.05 -0.17 -0.00 0.00 -0.57 0.00 0.00 31.44 30.75 3i1r n GLU 35 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3i1r s LYS 36 N -0.02 3.13 -0.30 3.49 1.02 -1.26 -1.80 119.74 124.00 3i1r s LYS 36 Ca 0.00 -0.81 -0.22 0.00 0.02 0.00 0.00 55.97 54.96 3i1r s LYS 36 Cb 0.00 -2.74 0.19 0.00 -0.52 0.00 0.00 37.83 34.76 3i1r s LYS 36 CO 0.00 -0.02 1.36 -3.38 -0.92 0.00 0.00 175.35 172.39 3i1r s HIS 37 N -2.29 -0.09 0.56 3.18 -3.43 -0.73 -4.58 115.29 107.91 3i1r s HIS 37 Ca 0.45 0.21 -0.18 0.00 -0.80 0.00 0.00 55.06 54.75 3i1r s HIS 37 Cb -0.10 0.34 -0.11 0.00 -1.43 0.00 0.00 32.58 31.28 3i1r s HIS 37 CO 0.33 -0.05 0.24 1.28 -2.00 0.00 0.00 174.74 174.55 3i1r n LEU 38 N 2.14 -1.11 -4.77 5.38 4.77 -1.26 -1.86 117.00 120.29 3i1r n LEU 38 Ca -0.13 0.68 -0.41 0.00 -0.03 0.00 0.00 56.01 56.13 3i1r n LEU 38 Cb 0.57 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 3i1r n LEU 38 CO 0.03 -3.81 0.99 -0.60 -1.33 0.00 0.00 177.39 172.67 3i1r s ARG 39 N -1.70 4.33 -0.15 3.23 3.52 -1.23 -2.72 118.95 124.22 3i1r s ARG 39 Ca 0.63 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.48 3i1r s ARG 39 Cb -0.45 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 3i1r s ARG 39 CO 0.60 -0.22 0.00 0.72 -0.81 0.00 0.00 175.30 175.58 3i1r n HIS 40 N 0.75 0.00 -4.64 5.12 8.25 -1.26 -5.00 115.22 118.44 3i1r n HIS 40 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 3i1r n HIS 40 Cb 0.42 -0.98 -0.14 0.00 1.12 0.00 0.00 29.99 30.41 3i1r n HIS 40 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3i1r s HIS 41 N -1.70 2.33 0.72 4.41 3.76 -1.10 -5.13 115.29 118.57 3i1r s HIS 41 Ca 0.00 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.36 3i1r s HIS 41 Cb 0.00 -1.33 0.01 0.00 1.11 0.00 0.00 32.58 32.37 3i1r s HIS 41 CO 0.00 0.24 0.97 -0.89 -0.85 0.00 0.00 174.74 174.21 3i1r n ILE 42 N 1.34 2.81 -3.50 0.60 2.08 -1.26 -4.75 119.36 116.67 3i1r n ILE 42 Ca -0.17 -0.37 -0.32 0.00 0.56 0.00 0.00 62.75 62.45 3i1r n ILE 42 Cb 0.52 -1.11 -0.05 0.00 -0.75 0.00 0.00 39.64 38.26 3i1r n ILE 42 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3i1r s THR 43 N -1.82 5.01 0.39 1.39 -4.23 0.08 -4.79 115.64 111.66 3i1r s THR 43 Ca 0.73 0.32 0.23 0.00 -1.18 0.00 0.00 61.69 61.80 3i1r s THR 43 Cb -0.34 -3.62 0.39 0.00 1.34 0.00 0.00 72.50 70.27 3i1r s THR 43 CO 0.50 -0.04 1.61 0.00 -0.54 0.00 0.00 174.62 176.15 3i1r h ALA 44 N 2.63 2.32 0.00 3.99 0.00 -1.90 1.01 119.26 127.31 3i1r h ALA 44 Ca -0.47 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i1r h ALA 44 Cb 1.17 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3i1r h ALA 44 CO 0.70 -1.03 -0.31 -0.25 0.00 0.00 0.00 179.25 178.36 3i1r n ASP 45 N -5.04 0.39 0.00 0.00 9.92 -1.26 -4.91 116.55 115.65 3i1r n ASP 45 Ca 0.37 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 3i1r n ASP 45 Cb 1.29 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.67 3i1r n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1r n GLY 46 N 1.46 1.40 3.61 0.44 0.00 0.35 -4.81 105.19 107.63 3i1r n GLY 46 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3i1r n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i1r s TYR 47 N -2.00 2.89 -0.20 1.61 1.51 -1.24 -2.62 117.35 117.29 3i1r s TYR 47 Ca 0.00 -0.05 -0.04 0.00 -1.01 0.00 0.00 57.07 55.97 3i1r s TYR 47 Cb 0.00 -1.58 0.09 0.00 -0.11 0.00 0.00 41.96 40.36 3i1r s TYR 47 CO 0.00 0.39 0.19 -0.47 -1.11 0.00 0.00 175.55 174.56 3i1r s TYR 48 N -1.06 -0.17 -0.82 2.71 6.04 -1.04 -0.74 117.35 122.28 3i1r s TYR 48 Ca 0.19 0.07 -0.02 0.00 0.04 0.00 0.00 57.07 57.34 3i1r s TYR 48 Cb -0.11 -0.45 -0.00 0.00 -1.04 0.00 0.00 41.96 40.36 3i1r s TYR 48 CO 0.09 -0.60 0.67 0.54 -1.54 0.00 0.00 175.55 174.72 3i1r n ARG 49 N 5.31 -1.41 0.00 4.97 1.74 -1.26 -4.28 116.66 121.73 3i1r n ARG 49 Ca -0.06 1.10 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 3i1r n ARG 49 Cb 0.49 -4.26 0.00 0.00 -1.02 0.00 0.00 32.46 27.67 3i1r n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1r n GLY 50 N -1.71 0.76 2.38 -0.13 0.00 -1.26 -4.98 105.19 100.26 3i1r n GLY 50 Ca -0.14 -0.85 -0.00 0.00 0.00 0.00 0.00 46.02 45.03 3i1r n GLY 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1r n ARG 51 N -0.03 -5.12 -2.26 1.61 0.63 -1.26 -4.73 116.66 105.50 3i1r n ARG 51 Ca 0.00 3.71 -0.33 0.00 -0.92 0.00 0.00 57.85 60.31 3i1r n ARG 51 Cb 0.00 -4.71 -0.04 0.00 0.45 0.00 0.00 32.46 28.16 3i1r n ARG 51 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i1r s LYS 52 N -0.60 3.03 0.00 -0.14 2.47 -1.26 -2.48 119.74 120.76 3i1r s LYS 52 Ca -0.02 -1.31 0.00 0.00 -1.56 0.00 0.00 55.97 53.08 3i1r s LYS 52 Cb 0.00 -5.32 0.00 0.00 -1.46 0.00 0.00 37.83 31.05 3i1r s LYS 52 CO 0.06 -3.26 0.00 1.33 0.16 0.00 0.00 175.35 173.63 3i1r n VAL 53 N 7.32 0.00 -2.29 4.02 0.24 -1.08 -4.78 118.33 121.77 3i1r n VAL 53 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.75 3i1r n VAL 53 Cb 0.47 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 3i1r n VAL 53 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3i1r n ILE 54 N -2.04 -1.28 -0.34 1.34 2.08 -1.26 -4.69 119.36 113.17 3i1r n ILE 54 Ca 0.00 0.30 0.24 0.00 0.56 0.00 0.00 62.75 63.85 3i1r n ILE 54 Cb 0.00 -1.99 0.50 0.00 -0.75 0.00 0.00 39.64 37.40 3i1r n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1r h ALA 55 N 2.88 2.19 -0.03 -1.39 0.00 -1.89 -3.43 119.26 117.60 3i1r h ALA 55 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i1r h ALA 55 Cb 0.60 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i1r h ALA 55 CO 0.00 -0.65 0.00 1.63 0.00 0.00 0.00 179.25 180.23