#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v99 s ILE 2 N 0.00 0.10 -0.08 3.17 -4.36 -0.19 -1.93 121.20 117.91 1v99 s ILE 2 Ca 0.00 -1.91 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 1v99 s ILE 2 Cb 0.00 -2.06 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 1v99 s ILE 2 CO 0.00 -0.45 -0.20 -0.63 0.24 0.00 0.00 174.94 173.90 1v99 s ILE 3 N -4.05 2.48 -0.13 8.37 -1.09 0.46 -2.31 121.20 124.93 1v99 s ILE 3 Ca 0.24 -0.90 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1v99 s ILE 3 Cb 0.07 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 39.01 1v99 s ILE 3 CO 0.02 0.56 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.38 1v99 s VAL 4 N -0.13 2.03 -0.14 2.92 1.01 0.42 -0.38 120.40 126.13 1v99 s VAL 4 Ca -0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1v99 s VAL 4 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1v99 s VAL 4 CO 0.04 0.55 -0.10 -0.47 0.00 0.00 0.00 175.10 175.12 1v99 s TYR 5 N 0.69 2.89 0.14 5.22 5.04 0.28 0.15 117.35 131.77 1v99 s TYR 5 Ca -0.10 -0.51 -0.05 0.00 -2.44 0.00 0.00 57.07 53.96 1v99 s TYR 5 Cb -0.16 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.24 1v99 s TYR 5 CO 0.01 -0.14 0.17 -0.08 -1.34 0.00 0.00 175.55 174.17 1v99 s THR 6 N 0.35 0.09 0.14 4.34 -1.32 -0.82 -1.58 115.64 116.84 1v99 s THR 6 Ca -0.08 -1.63 0.07 0.00 -1.21 0.00 0.00 61.69 58.84 1v99 s THR 6 Cb -0.15 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 68.89 1v99 s THR 6 CO 0.05 -0.40 -0.16 0.42 -2.21 0.00 0.00 174.62 172.31 1v99 s THR 7 N -4.00 1.59 0.12 5.08 -4.23 -1.26 -0.47 115.64 112.47 1v99 s THR 7 Ca 0.20 -1.82 0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1v99 s THR 7 Cb 0.05 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1v99 s THR 7 CO 0.00 -0.36 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.22 1v99 s PHE 8 N -2.09 1.38 0.10 3.99 0.08 0.31 -4.80 117.98 116.95 1v99 s PHE 8 Ca 0.13 -0.55 0.29 0.00 0.12 0.00 0.00 56.93 56.91 1v99 s PHE 8 Cb -0.05 -0.73 1.11 0.00 -0.57 0.00 0.00 43.02 42.78 1v99 s PHE 8 CO 0.05 0.13 1.90 -1.00 -0.10 0.00 0.00 175.22 176.20 1v99 h PRO 9 N 3.59 0.00 -2.86 0.24 0.13 -1.86 0.32 132.00 131.55 1v99 h PRO 9 Ca -0.40 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.78 1v99 h PRO 9 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1v99 h PRO 9 CO 0.50 0.11 0.33 0.16 -0.23 0.00 0.00 178.00 178.87 1v99 s ASP 10 N -5.96 -0.08 0.12 1.44 1.47 -1.26 -4.57 116.67 107.82 1v99 s ASP 10 Ca 0.01 -0.85 -0.14 0.00 1.18 0.00 0.00 52.55 52.74 1v99 s ASP 10 Cb 0.09 0.73 -0.04 0.00 -0.34 0.00 0.00 42.92 43.37 1v99 s ASP 10 CO 0.59 -1.41 1.52 -0.50 0.68 0.00 0.00 175.17 176.05 1v99 h TRP 11 N 2.00 0.83 -0.42 2.11 4.06 -1.95 -2.35 115.95 120.23 1v99 h TRP 11 Ca -0.27 -0.18 0.07 0.00 2.06 0.00 0.00 58.89 60.57 1v99 h TRP 11 Cb 1.24 -0.20 -0.06 0.00 -1.00 0.00 0.00 29.16 29.14 1v99 h TRP 11 CO 1.02 0.88 0.07 1.49 -3.56 0.00 0.00 178.44 178.33 1v99 h GLU 12 N 0.54 0.19 -0.16 0.49 4.81 -1.99 0.17 114.58 118.62 1v99 h GLU 12 Ca 0.09 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 1v99 h GLU 12 Cb 0.62 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1v99 h GLU 12 CO 0.04 0.12 -0.61 0.66 -0.73 0.00 0.00 179.01 178.49 1v99 h SER 13 N 0.19 0.63 -0.12 1.04 4.64 -1.98 -2.40 113.55 115.55 1v99 h SER 13 Ca 0.20 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1v99 h SER 13 Cb 0.26 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1v99 h SER 13 CO -0.28 1.09 0.03 0.00 -0.87 0.00 0.00 176.83 176.79 1v99 h ALA 14 N 0.92 0.16 -0.45 5.18 0.00 -0.87 -1.85 119.26 122.34 1v99 h ALA 14 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1v99 h ALA 14 Cb 1.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1v99 h ALA 14 CO 0.11 -0.21 0.22 0.93 0.00 0.00 0.00 179.25 180.31 1v99 h GLU 15 N -0.01 0.65 -0.10 0.00 5.08 -0.70 -1.53 114.58 117.97 1v99 h GLU 15 Ca 0.04 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1v99 h GLU 15 Cb 0.26 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1v99 h GLU 15 CO 0.00 0.55 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.34 1v99 h LYS 16 N 0.59 0.03 0.03 2.33 3.11 -1.38 -1.22 116.57 120.05 1v99 h LYS 16 Ca 0.16 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1v99 h LYS 16 Cb 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 1v99 h LYS 16 CO -0.02 0.02 -0.01 0.28 -2.81 0.00 0.00 179.45 176.90 1v99 h VAL 17 N 0.03 1.14 -0.70 2.00 2.07 -1.22 -2.32 116.25 117.25 1v99 h VAL 17 Ca 0.04 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1v99 h VAL 17 Cb 0.06 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1v99 h VAL 17 CO -0.08 0.13 0.26 -0.37 0.02 0.00 0.00 177.57 177.53 1v99 h VAL 18 N -0.26 1.24 -0.50 2.57 -1.51 -1.25 -1.28 116.25 115.27 1v99 h VAL 18 Ca -0.00 -0.80 -0.04 0.00 -1.23 0.00 0.00 66.70 64.63 1v99 h VAL 18 Cb 0.24 0.43 -0.02 0.00 -2.13 0.00 0.00 31.29 29.81 1v99 h VAL 18 CO 0.01 0.32 0.14 0.11 -1.23 0.00 0.00 177.57 176.91 1v99 h LYS 19 N 1.02 0.74 -0.49 5.19 1.57 -1.21 -0.34 116.57 123.06 1v99 h LYS 19 Ca 0.23 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1v99 h LYS 19 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1v99 h LYS 19 CO -0.02 0.66 -0.17 1.15 -0.57 0.00 0.00 179.45 180.50 1v99 h THR 20 N 0.72 1.27 -0.21 -0.16 2.02 -0.82 -0.69 112.91 115.05 1v99 h THR 20 Ca 0.17 -1.33 -0.10 0.00 0.77 0.00 0.00 66.41 65.92 1v99 h THR 20 Cb 0.24 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1v99 h THR 20 CO -0.01 0.46 -0.31 -0.07 0.37 0.00 0.00 175.52 175.97 1v99 h LEU 21 N 0.85 0.43 -0.27 2.58 3.38 -0.72 0.05 115.31 121.61 1v99 h LEU 21 Ca 0.12 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1v99 h LEU 21 Cb 0.74 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1v99 h LEU 21 CO 0.06 0.72 -0.33 -0.07 0.09 0.00 0.00 178.44 178.91 1v99 h LEU 22 N 0.37 0.75 -0.83 1.67 3.38 -0.83 -0.87 115.31 118.94 1v99 h LEU 22 Ca 0.05 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1v99 h LEU 22 Cb 0.73 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1v99 h LEU 22 CO 0.06 1.09 0.13 0.11 0.09 0.00 0.00 178.44 179.91 1v99 h LYS 23 N 0.42 1.00 -0.02 1.13 1.57 -0.89 -1.60 116.57 118.19 1v99 h LYS 23 Ca 0.03 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1v99 h LYS 23 Cb 0.91 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1v99 h LYS 23 CO 0.08 0.90 0.00 0.39 -0.57 0.00 0.00 179.45 180.25 1v99 n GLU 24 N -4.24 1.05 -2.67 3.15 1.02 -0.02 -4.89 120.64 114.05 1v99 n GLU 24 Ca 0.04 -0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 1v99 n GLU 24 Cb 0.26 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1v99 n GLU 24 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1v99 n ARG 25 N -0.62 -2.74 0.06 3.49 1.74 -0.60 -4.82 116.66 113.16 1v99 n ARG 25 Ca 0.10 0.76 0.12 0.00 -0.77 0.00 0.00 57.85 58.06 1v99 n ARG 25 Cb 0.06 -5.45 0.15 0.00 -1.02 0.00 0.00 32.46 26.20 1v99 n ARG 25 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1v99 n LEU 26 N -3.23 0.69 -4.06 0.55 4.77 -0.38 -1.26 117.00 114.08 1v99 n LEU 26 Ca -0.15 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1v99 n LEU 26 Cb 0.63 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1v99 n LEU 26 CO 0.31 -0.04 -0.37 0.27 -1.33 0.00 0.00 177.39 176.23 1v99 s ILE 27 N -3.17 0.28 -0.24 -0.08 -4.36 -1.23 -4.72 121.20 107.68 1v99 s ILE 27 Ca 0.06 -1.46 0.22 0.00 -0.26 0.00 0.00 60.65 59.21 1v99 s ILE 27 Cb 0.13 -1.03 0.02 0.00 1.25 0.00 0.00 42.46 42.83 1v99 s ILE 27 CO 0.73 -0.75 1.08 0.00 0.24 0.00 0.00 174.94 176.24 1v99 h ALA 28 N 3.76 0.58 -2.53 2.27 0.00 -1.24 -3.43 119.26 118.67 1v99 h ALA 28 Ca -0.34 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1v99 h ALA 28 Cb 1.17 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 1v99 h ALA 28 CO 0.55 0.14 -0.28 0.00 0.00 0.00 0.00 179.25 179.65 1v99 s ALA 30 N -3.28 -0.75 -0.19 0.00 0.00 -1.26 -5.03 121.76 111.24 1v99 s ALA 30 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1v99 s ALA 30 Cb 0.09 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1v99 s ALA 30 CO 0.78 -0.27 -0.13 -0.80 0.00 0.00 0.00 175.76 175.34 1v99 s ASN 31 N -1.41 3.37 -0.10 0.00 0.01 -0.18 -4.97 114.94 111.67 1v99 s ASN 31 Ca -0.13 -0.84 -0.01 0.00 -0.71 0.00 0.00 52.86 51.17 1v99 s ASN 31 Cb -0.05 -1.31 -0.03 0.00 0.41 0.00 0.00 41.25 40.27 1v99 s ASN 31 CO 0.03 -0.11 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.70 1v99 s LEU 32 N 1.35 3.20 -0.14 0.60 1.43 -1.26 -0.97 118.68 122.90 1v99 s LEU 32 Ca -0.00 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.84 1v99 s LEU 32 Cb -0.16 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.40 1v99 s LEU 32 CO -0.09 0.30 0.55 0.00 0.23 0.00 0.00 176.35 177.34 1v99 s ARG 33 N -0.46 0.76 0.71 1.70 3.03 -0.74 -4.98 118.95 118.97 1v99 s ARG 33 Ca 0.07 0.48 -0.13 0.00 2.03 0.00 0.00 55.73 58.18 1v99 s ARG 33 Cb -0.12 0.36 0.02 0.00 -1.03 0.00 0.00 34.95 34.18 1v99 s ARG 33 CO 0.02 -0.16 1.09 -1.21 -1.13 0.00 0.00 175.30 173.91 1v99 s GLU 34 N -0.37 2.60 0.17 3.89 2.02 -1.26 -0.70 118.70 125.06 1v99 s GLU 34 Ca -0.05 1.23 -0.24 0.00 0.02 0.00 0.00 54.97 55.94 1v99 s GLU 34 Cb -0.03 -1.94 0.06 0.00 0.10 0.00 0.00 34.13 32.32 1v99 s GLU 34 CO 0.04 -1.38 0.73 -3.38 0.02 0.00 0.00 175.26 171.28 1v99 s HIS 35 N -2.67 -0.35 -0.21 1.61 -3.43 -0.77 -4.82 115.29 104.64 1v99 s HIS 35 Ca 0.63 0.06 -0.07 0.00 -0.80 0.00 0.00 55.06 54.89 1v99 s HIS 35 Cb -0.18 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.55 1v99 s HIS 35 CO 0.49 -0.92 0.05 1.03 -2.00 0.00 0.00 174.74 173.39 1v99 s ARG 36 N -3.65 3.75 0.01 -0.38 0.52 -1.26 -1.31 118.95 116.64 1v99 s ARG 36 Ca 0.06 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 1v99 s ARG 36 Cb -0.03 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1v99 s ARG 36 CO -0.04 0.02 0.13 0.00 0.02 0.00 0.00 175.30 175.43 1v99 s ALA 37 N 1.03 3.75 -0.08 2.13 0.00 0.60 -4.97 121.76 124.22 1v99 s ALA 37 Ca 0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 1v99 s ALA 37 Cb -0.14 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.31 1v99 s ALA 37 CO 0.03 0.73 -0.01 -0.06 0.00 0.00 0.00 175.76 176.45 1v99 s PHE 38 N -1.28 0.79 0.13 0.00 0.40 -1.26 -1.47 117.98 115.29 1v99 s PHE 38 Ca 0.26 -0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 56.15 1v99 s PHE 38 Cb -0.12 -0.87 0.04 0.00 0.51 0.00 0.00 43.02 42.57 1v99 s PHE 38 CO 0.17 -0.37 0.41 1.52 0.70 0.00 0.00 175.22 177.66 1v99 s TYR 39 N 1.93 -0.20 0.15 0.36 1.13 -0.64 -4.96 117.35 115.12 1v99 s TYR 39 Ca 0.05 -0.11 -0.29 0.00 -1.41 0.00 0.00 57.07 55.30 1v99 s TYR 39 Cb -0.13 0.27 -0.07 0.00 -1.10 0.00 0.00 41.96 40.94 1v99 s TYR 39 CO -0.06 -0.72 0.92 -1.58 -2.51 0.00 0.00 175.55 171.60 1v99 s TRP 40 N -3.81 3.87 -0.28 -3.49 0.52 -1.26 0.20 118.94 114.69 1v99 s TRP 40 Ca 0.04 1.79 -0.03 0.00 0.02 0.00 0.00 56.10 57.92 1v99 s TRP 40 Cb 0.02 -2.98 0.17 0.00 -1.15 0.00 0.00 33.47 29.52 1v99 s TRP 40 CO -0.11 0.32 0.55 -0.46 0.02 0.00 0.00 176.95 177.27 1v99 s TRP 41 N -0.48 -1.36 -1.27 -1.98 -0.11 0.00 -4.91 118.94 108.83 1v99 s TRP 41 Ca 0.43 1.58 -0.12 0.00 1.22 0.00 0.00 56.10 59.21 1v99 s TRP 41 Cb -0.24 0.46 -0.00 0.00 -1.50 0.00 0.00 33.47 32.19 1v99 s TRP 41 CO 0.29 -0.80 0.62 0.39 -4.62 0.00 0.00 176.95 172.83 1v99 n GLU 42 N 5.42 -2.20 -0.97 5.86 -0.58 -1.26 -1.77 120.64 125.13 1v99 n GLU 42 Ca -0.03 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1v99 n GLU 42 Cb 0.51 -4.23 0.00 0.00 -0.57 0.00 0.00 31.44 27.15 1v99 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1v99 n GLY 43 N -1.84 0.51 2.97 0.62 0.00 -1.26 -5.02 105.19 101.18 1v99 n GLY 43 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1v99 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1v99 s LYS 44 N -0.34 0.76 -0.65 1.61 2.20 -0.73 -5.08 119.74 117.50 1v99 s LYS 44 Ca 0.00 -0.24 -0.26 0.00 -0.36 0.00 0.00 55.97 55.11 1v99 s LYS 44 Cb 0.00 -0.73 0.04 0.00 -1.51 0.00 0.00 37.83 35.63 1v99 s LYS 44 CO 0.00 0.09 1.16 0.42 -0.36 0.00 0.00 175.35 176.66 1v99 s ILE 45 N 0.17 4.00 0.35 5.43 1.01 -1.26 -0.82 121.20 130.08 1v99 s ILE 45 Ca -0.02 0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.83 1v99 s ILE 45 Cb -0.07 -4.77 -0.10 0.00 0.01 0.00 0.00 42.46 37.53 1v99 s ILE 45 CO 0.00 -1.53 0.92 -1.61 0.00 0.00 0.00 174.94 172.71 1v99 s GLU 46 N 5.00 4.41 -0.20 2.79 0.41 0.13 -4.83 118.70 126.40 1v99 s GLU 46 Ca 0.35 1.19 0.01 0.00 -0.41 0.00 0.00 54.97 56.10 1v99 s GLU 46 Cb -0.10 -2.59 0.05 0.00 -1.78 0.00 0.00 34.13 29.71 1v99 s GLU 46 CO 0.18 0.19 -0.08 -2.00 -0.49 0.00 0.00 175.26 173.05 1v99 s GLU 47 N -2.45 1.83 -0.01 1.61 2.12 -1.26 -1.62 118.70 118.93 1v99 s GLU 47 Ca 0.53 -0.84 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 1v99 s GLU 47 Cb -0.15 -2.41 -0.00 0.00 0.26 0.00 0.00 34.13 31.83 1v99 s GLU 47 CO 0.20 -0.48 0.07 -0.51 -0.54 0.00 0.00 175.26 174.00 1v99 s ASP 48 N 1.43 0.05 0.32 -1.70 1.01 -0.54 -4.99 116.67 112.24 1v99 s ASP 48 Ca -0.02 -0.15 -0.27 0.00 0.71 0.00 0.00 52.55 52.82 1v99 s ASP 48 Cb -0.17 0.16 -0.10 0.00 1.01 0.00 0.00 42.92 43.83 1v99 s ASP 48 CO -0.08 -0.22 0.96 -0.54 0.21 0.00 0.00 175.17 175.50 1v99 s LYS 49 N -0.88 4.59 0.25 8.23 1.02 -1.26 -0.29 119.74 131.41 1v99 s LYS 49 Ca -0.10 1.38 -0.01 0.00 0.02 0.00 0.00 55.97 57.27 1v99 s LYS 49 Cb -0.06 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1v99 s LYS 49 CO 0.00 0.28 0.25 -1.21 -0.92 0.00 0.00 175.35 173.75 1v99 s GLU 50 N -1.95 1.46 -0.20 1.68 2.02 -0.42 -4.74 118.70 116.56 1v99 s GLU 50 Ca 0.49 -1.69 0.01 0.00 0.02 0.00 0.00 54.97 53.80 1v99 s GLU 50 Cb -0.20 0.33 0.04 0.00 0.10 0.00 0.00 34.13 34.39 1v99 s GLU 50 CO 0.26 -0.53 -0.14 0.08 0.02 0.00 0.00 175.26 174.95 1v99 s VAL 51 N -3.84 1.86 0.30 2.63 1.01 0.10 -1.84 120.40 120.61 1v99 s VAL 51 Ca 0.36 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1v99 s VAL 51 Cb 0.04 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1v99 s VAL 51 CO 0.16 0.28 0.71 -0.83 0.00 0.00 0.00 175.10 175.42 1v99 s GLY 52 N 1.32 2.35 -0.07 4.51 0.00 0.13 -0.53 107.32 115.02 1v99 s GLY 52 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.74 1v99 s GLY 52 CO -0.09 0.21 -0.08 0.00 0.00 0.00 0.00 173.10 173.14 1v99 s ALA 53 N -1.92 1.09 -0.30 3.20 0.00 0.38 -1.79 121.76 122.42 1v99 s ALA 53 Ca 0.52 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 1v99 s ALA 53 Cb -0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1v99 s ALA 53 CO 0.18 -0.09 0.15 0.42 0.00 0.00 0.00 175.76 176.42 1v99 s ILE 54 N 1.08 4.62 -0.09 0.00 1.01 -0.14 -1.95 121.20 125.73 1v99 s ILE 54 Ca -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1v99 s ILE 54 Cb -0.14 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1v99 s ILE 54 CO -0.01 0.10 -0.02 -0.76 0.00 0.00 0.00 174.94 174.26 1v99 s LEU 55 N 1.62 3.46 -0.18 2.97 1.43 0.12 -1.01 118.68 127.10 1v99 s LEU 55 Ca 0.05 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1v99 s LEU 55 Cb -0.17 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1v99 s LEU 55 CO 0.06 0.35 -0.13 -0.54 0.23 0.00 0.00 176.35 176.32 1v99 s LYS 56 N -0.71 3.22 0.11 1.70 1.02 -1.26 -0.44 119.74 123.38 1v99 s LYS 56 Ca 0.11 -0.73 -0.02 0.00 0.02 0.00 0.00 55.97 55.35 1v99 s LYS 56 Cb -0.12 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1v99 s LYS 56 CO 0.02 -0.09 0.19 -2.37 -0.92 0.00 0.00 175.35 172.18 1v99 n THR 57 N 4.37 0.00 -3.13 2.17 5.66 -0.98 -0.86 114.28 121.51 1v99 n THR 57 Ca -0.19 -0.43 -0.31 0.00 -3.05 0.00 0.00 64.05 60.07 1v99 n THR 57 Cb 0.51 0.32 -0.05 0.00 -1.55 0.00 0.00 70.33 69.56 1v99 n THR 57 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1v99 s ARG 58 N -2.14 3.84 0.23 1.09 0.52 -1.26 -1.02 118.95 120.20 1v99 s ARG 58 Ca 0.07 0.43 -0.08 0.00 -0.52 0.00 0.00 55.73 55.63 1v99 s ARG 58 Cb -0.01 -2.49 0.20 0.00 0.52 0.00 0.00 34.95 33.17 1v99 s ARG 58 CO 0.05 0.13 1.90 0.93 0.02 0.00 0.00 175.30 178.33 1v99 h GLU 59 N 1.90 1.15 0.00 3.54 5.08 -1.94 -2.35 114.58 121.97 1v99 h GLU 59 Ca -0.47 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1v99 h GLU 59 Cb 1.18 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1v99 h GLU 59 CO 0.66 0.77 0.00 -0.40 -1.00 0.00 0.00 179.01 179.04 1v99 n ASP 60 N -4.47 0.00 -0.51 1.42 5.75 -1.26 -2.26 116.55 115.22 1v99 n ASP 60 Ca 0.09 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.98 1v99 n ASP 60 Cb 0.02 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1v99 n ASP 60 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1v99 n LEU 61 N -1.26 2.06 -0.02 -2.12 4.77 -0.89 -4.64 117.00 114.90 1v99 n LEU 61 Ca 0.08 -0.77 -0.10 0.00 -0.03 0.00 0.00 56.01 55.19 1v99 n LEU 61 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1v99 n LEU 61 CO 0.13 0.38 0.65 -0.25 -1.33 0.00 0.00 177.39 176.96 1v99 h TRP 62 N 2.52 -0.89 -0.56 -1.77 -0.00 -1.48 0.29 115.95 114.06 1v99 h TRP 62 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.94 1v99 h TRP 62 Cb 0.76 0.42 -0.03 0.00 -0.00 0.00 0.00 29.16 30.30 1v99 h TRP 62 CO 0.00 -0.39 0.36 0.93 -0.00 0.00 0.00 178.44 179.34 1v99 h GLU 63 N -0.37 0.71 -0.55 2.65 4.39 -1.83 0.56 114.58 120.15 1v99 h GLU 63 Ca 0.11 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1v99 h GLU 63 Cb 0.54 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1v99 h GLU 63 CO -0.38 0.47 -0.10 1.49 -1.16 0.00 0.00 179.01 179.33 1v99 h GLU 64 N 0.73 1.03 -0.19 2.33 4.81 -1.82 -2.49 114.58 118.99 1v99 h GLU 64 Ca 0.21 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1v99 h GLU 64 Cb -0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1v99 h GLU 64 CO -0.06 1.07 0.02 1.25 -0.73 0.00 0.00 179.01 180.56 1v99 h LEU 65 N 0.92 0.31 -0.42 1.64 5.85 -0.60 -1.45 115.31 121.55 1v99 h LEU 65 Ca 0.14 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1v99 h LEU 65 Cb 0.67 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1v99 h LEU 65 CO 0.05 0.50 0.16 0.50 -0.34 0.00 0.00 178.44 179.31 1v99 h LYS 66 N 0.10 0.32 -0.52 1.25 3.64 -0.86 0.50 116.57 121.00 1v99 h LYS 66 Ca 0.06 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1v99 h LYS 66 Cb 0.33 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1v99 h LYS 66 CO 0.01 0.21 0.02 0.93 -2.27 0.00 0.00 179.45 178.35 1v99 h GLU 67 N 0.33 0.86 -0.43 1.90 4.39 -1.37 -1.81 114.58 118.44 1v99 h GLU 67 Ca 0.20 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 1v99 h GLU 67 Cb 0.17 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1v99 h GLU 67 CO -0.19 0.84 -0.25 -0.09 -1.16 0.00 0.00 179.01 178.16 1v99 h ARG 68 N 0.80 0.89 -0.62 2.33 9.65 -0.65 -2.60 114.38 124.19 1v99 h ARG 68 Ca 0.16 -0.39 -0.05 0.00 -1.10 0.00 0.00 59.98 58.60 1v99 h ARG 68 Cb 0.45 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 1v99 h ARG 68 CO 0.02 1.04 0.19 0.82 2.80 0.00 0.00 179.97 184.83 1v99 h ILE 69 N 0.77 1.24 -0.70 1.20 2.04 -0.67 -2.25 117.51 119.14 1v99 h ILE 69 Ca 0.10 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.16 1v99 h ILE 69 Cb 0.80 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1v99 h ILE 69 CO 0.07 0.32 0.44 0.11 0.00 0.00 0.00 178.15 179.08 1v99 h LYS 70 N 0.92 0.84 -0.21 2.37 1.57 -1.03 0.16 116.57 121.19 1v99 h LYS 70 Ca 0.20 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1v99 h LYS 70 Cb 0.27 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1v99 h LYS 70 CO -0.01 0.55 -0.40 0.93 -0.57 0.00 0.00 179.45 179.96 1v99 h GLU 71 N 0.86 0.49 0.00 3.15 5.08 -1.10 -3.30 114.58 119.76 1v99 h GLU 71 Ca 0.28 -0.24 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 1v99 h GLU 71 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1v99 h GLU 71 CO -0.11 0.81 -1.42 -0.07 -1.00 0.00 0.00 179.01 177.22 1v99 h LEU 72 N 0.40 0.00 -9.71 1.33 3.38 -1.10 -3.48 115.31 106.13 1v99 h LEU 72 Ca 0.04 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.48 1v99 h LEU 72 Cb 0.88 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.68 1v99 h LEU 72 CO 0.07 0.74 0.85 -2.28 0.09 0.00 0.00 178.44 177.92 1v99 s HIS 73 N -2.80 2.95 0.31 1.13 2.46 0.55 -4.92 115.29 114.97 1v99 s HIS 73 Ca -0.03 0.77 0.18 0.00 0.47 0.00 0.00 55.06 56.46 1v99 s HIS 73 Cb 0.08 -3.95 0.86 0.00 -0.13 0.00 0.00 32.58 29.44 1v99 s HIS 73 CO 0.81 -3.30 1.84 -1.00 -2.47 0.00 0.00 174.74 170.62 1v99 h PRO 74 N 5.68 0.00 -6.79 2.88 0.13 -1.92 -3.43 132.00 128.56 1v99 h PRO 74 Ca -0.45 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.18 1v99 h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1v99 h PRO 74 CO 0.84 0.32 0.42 0.71 -0.23 0.00 0.00 178.00 180.06 1v99 s TYR 75 N -3.98 3.75 0.20 1.56 2.02 -1.26 -4.94 117.35 114.70 1v99 s TYR 75 Ca -0.02 1.80 -0.02 0.00 -0.37 0.00 0.00 57.07 58.46 1v99 s TYR 75 Cb 0.13 -3.14 0.12 0.00 -0.40 0.00 0.00 41.96 38.67 1v99 s TYR 75 CO 0.68 -0.10 1.50 -0.44 -1.57 0.00 0.00 175.55 175.62 1v99 h ASP 76 N 3.91 0.54 -2.63 2.29 3.45 -1.98 -3.34 116.42 118.66 1v99 h ASP 76 Ca -0.46 -0.30 -0.60 0.00 0.43 0.00 0.00 57.03 56.09 1v99 h ASP 76 Cb 1.21 -0.16 -0.41 0.00 -0.56 0.00 0.00 39.33 39.41 1v99 h ASP 76 CO 0.67 1.01 -0.72 0.52 -1.57 0.00 0.00 179.24 179.15 1v99 n VAL 77 N -3.93 0.92 -1.80 -1.35 0.31 -1.26 -5.11 118.33 106.12 1v99 n VAL 77 Ca -0.03 -4.53 -0.31 0.00 -0.01 0.00 0.00 64.34 59.46 1v99 n VAL 77 Cb 0.62 -2.03 0.04 0.00 -0.91 0.00 0.00 33.84 31.56 1v99 n VAL 77 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1v99 s PRO 78 N -1.31 3.11 -0.22 5.55 0.04 -1.26 -5.03 135.00 135.89 1v99 s PRO 78 Ca 0.31 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 61.85 1v99 s PRO 78 Cb 0.04 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1v99 s PRO 78 CO -0.14 -0.90 0.47 0.00 0.04 0.00 0.00 177.00 176.47 1v99 s ALA 79 N -3.22 3.56 -0.44 8.56 0.00 -1.26 -5.00 121.76 123.96 1v99 s ALA 79 Ca 0.57 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1v99 s ALA 79 Cb -0.12 -2.76 0.14 0.00 0.00 0.00 0.00 23.12 20.38 1v99 s ALA 79 CO 0.53 -0.48 0.24 0.42 0.00 0.00 0.00 175.76 176.48 1v99 s ILE 80 N 1.71 1.32 -0.25 0.00 1.01 -1.26 -4.10 121.20 119.62 1v99 s ILE 80 Ca 0.21 -2.53 -0.10 0.00 0.00 0.00 0.00 60.65 58.23 1v99 s ILE 80 Cb -0.15 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1v99 s ILE 80 CO 0.09 -0.91 0.15 -0.63 0.00 0.00 0.00 174.94 173.63 1v99 s ILE 81 N 0.36 5.10 -0.22 2.92 1.01 -0.62 -4.95 121.20 124.80 1v99 s ILE 81 Ca 0.18 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 1v99 s ILE 81 Cb -0.23 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1v99 s ILE 81 CO -0.01 0.32 0.16 -0.60 0.00 0.00 0.00 174.94 174.81 1v99 s ARG 82 N 1.38 4.12 -0.21 2.79 3.52 -1.26 -0.55 118.95 128.73 1v99 s ARG 82 Ca 0.07 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 1v99 s ARG 82 Cb -0.15 -3.49 0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1v99 s ARG 82 CO 0.07 0.15 -0.08 0.42 -0.81 0.00 0.00 175.30 175.05 1v99 s ILE 83 N 0.79 1.56 0.31 4.11 -1.09 0.49 -4.99 121.20 122.39 1v99 s ILE 83 Ca 0.08 -1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 57.16 1v99 s ILE 83 Cb -0.13 -1.71 -0.10 0.00 -1.58 0.00 0.00 42.46 38.94 1v99 s ILE 83 CO 0.02 0.07 1.19 -1.81 -1.23 0.00 0.00 174.94 173.18 1v99 s ASP 84 N 1.41 6.98 -0.15 3.58 1.11 -1.26 -0.40 116.67 127.94 1v99 s ASP 84 Ca -0.03 2.45 -0.20 0.00 0.18 0.00 0.00 52.55 54.95 1v99 s ASP 84 Cb -0.17 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.15 1v99 s ASP 84 CO -0.07 -0.36 0.58 -0.69 1.18 0.00 0.00 175.17 175.80 1v99 s VAL 85 N -1.18 5.09 0.19 -1.27 1.01 -0.82 -4.88 120.40 118.55 1v99 s VAL 85 Ca 0.48 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.58 1v99 s VAL 85 Cb -0.35 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1v99 s VAL 85 CO 0.46 0.21 1.47 0.44 0.00 0.00 0.00 175.10 177.67 1v99 h ASP 86 N 7.14 0.37 -4.84 3.32 3.32 -1.94 -3.41 116.42 120.37 1v99 h ASP 86 Ca -0.36 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.45 1v99 h ASP 86 Cb 1.16 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1v99 h ASP 86 CO 0.76 0.97 0.30 -0.62 -1.72 0.00 0.00 179.24 178.92 1v99 s ASP 87 N -6.94 -0.53 0.09 6.45 3.68 -1.26 -5.09 116.67 113.08 1v99 s ASP 87 Ca -0.05 0.20 -0.23 0.00 2.13 0.00 0.00 52.55 54.60 1v99 s ASP 87 Cb 0.11 0.51 0.06 0.00 -1.45 0.00 0.00 42.92 42.15 1v99 s ASP 87 CO 0.82 -0.75 0.56 0.54 0.13 0.00 0.00 175.17 176.47 1v99 s VAL 88 N -2.80 0.02 0.29 1.11 0.11 -1.26 -5.11 120.40 112.76 1v99 s VAL 88 Ca -0.01 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.61 1v99 s VAL 88 Cb -0.01 -1.01 -0.10 0.00 -1.53 0.00 0.00 36.38 33.73 1v99 s VAL 88 CO -0.06 -0.08 1.37 0.54 -3.33 0.00 0.00 175.10 173.55 1v99 s ASN 89 N -2.32 6.70 0.19 3.54 4.22 -1.26 -4.90 114.94 121.12 1v99 s ASN 89 Ca -0.02 2.69 -0.15 0.00 -2.14 0.00 0.00 52.86 53.23 1v99 s ASN 89 Cb -0.00 -2.64 0.16 0.00 1.28 0.00 0.00 41.25 40.05 1v99 s ASN 89 CO -0.06 -0.62 1.65 -0.33 -2.04 0.00 0.00 177.10 175.69 1v99 h GLU 90 N 4.12 0.01 -0.26 3.55 5.08 -2.01 -2.22 114.58 122.86 1v99 h GLU 90 Ca -0.48 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1v99 h GLU 90 Cb 1.22 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1v99 h GLU 90 CO 0.71 0.00 0.07 -0.44 -1.00 0.00 0.00 179.01 178.36 1v99 h ASP 91 N 0.01 0.32 -0.14 1.42 3.45 -1.99 -0.49 116.42 119.00 1v99 h ASP 91 Ca 0.24 -0.03 -0.21 0.00 0.43 0.00 0.00 57.03 57.46 1v99 h ASP 91 Cb 0.37 -0.08 0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1v99 h ASP 91 CO -0.51 0.32 -0.75 0.22 -1.57 0.00 0.00 179.24 176.95 1v99 h TYR 92 N 0.36 1.02 -0.67 4.55 5.03 -1.81 -1.82 116.97 123.64 1v99 h TYR 92 Ca 0.09 -0.46 -0.03 0.00 2.58 0.00 0.00 58.73 60.91 1v99 h TYR 92 Cb 0.12 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.22 1v99 h TYR 92 CO 0.00 1.29 0.28 1.25 -1.32 0.00 0.00 178.16 179.66 1v99 h LEU 93 N 0.47 0.88 -0.25 2.82 5.85 -1.00 0.72 115.31 124.80 1v99 h LEU 93 Ca -0.06 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1v99 h LEU 93 Cb 1.39 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1v99 h LEU 93 CO 0.16 0.78 0.16 0.50 -0.34 0.00 0.00 178.44 179.70 1v99 h LYS 94 N 0.95 0.33 -0.36 1.25 3.64 -0.97 -0.02 116.57 121.39 1v99 h LYS 94 Ca 0.23 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1v99 h LYS 94 Cb 0.16 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1v99 h LYS 94 CO -0.02 0.23 0.19 2.35 -2.27 0.00 0.00 179.45 179.92 1v99 h TRP 95 N 0.33 0.50 -0.68 1.91 7.01 -0.72 -0.76 115.95 123.54 1v99 h TRP 95 Ca 0.09 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1v99 h TRP 95 Cb -0.03 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 1v99 h TRP 95 CO -0.06 0.40 0.45 1.25 -2.79 0.00 0.00 178.44 177.69 1v99 h LEU 96 N 0.45 0.79 -0.48 0.65 6.46 -0.55 0.43 115.31 123.06 1v99 h LEU 96 Ca 0.12 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 1v99 h LEU 96 Cb 0.08 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 1v99 h LEU 96 CO -0.02 0.58 -0.04 0.40 -0.62 0.00 0.00 178.44 178.73 1v99 h ILE 97 N 0.93 1.27 -0.99 4.05 2.04 -0.83 -2.83 117.51 121.13 1v99 h ILE 97 Ca 0.25 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1v99 h ILE 97 Cb -0.10 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1v99 h ILE 97 CO -0.05 0.40 0.66 -0.33 0.00 0.00 0.00 178.15 178.82 1v99 h GLU 98 N 0.73 1.31 -0.62 2.37 4.39 -0.59 -2.81 114.58 119.36 1v99 h GLU 98 Ca 0.13 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1v99 h GLU 98 Cb 0.57 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1v99 h GLU 98 CO 0.03 0.87 0.00 0.39 -1.16 0.00 0.00 179.01 179.14 1v99 n GLU 99 N -4.39 2.07 -4.20 2.33 -0.58 0.09 -4.87 120.64 111.09 1v99 n GLU 99 Ca 0.12 -1.05 -0.16 0.00 -0.42 0.00 0.00 57.16 55.65 1v99 n GLU 99 Cb 0.01 -1.55 -0.11 0.00 -0.57 0.00 0.00 31.44 29.23 1v99 n GLU 99 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1v99 s THR 100 N -1.63 1.10 -0.43 2.62 -4.23 -1.06 -4.54 115.64 107.47 1v99 s THR 100 Ca 0.19 -1.69 -0.40 0.00 -1.18 0.00 0.00 61.69 58.60 1v99 s THR 100 Cb 0.12 -1.45 -0.17 0.00 1.34 0.00 0.00 72.50 72.34 1v99 s THR 100 CO 0.08 -0.52 1.42 0.29 -0.54 0.00 0.00 174.62 175.35 1v99 n LYS 101 N 0.50 0.00 0.00 3.99 5.02 -0.39 -4.95 118.16 122.33 1v99 n LYS 101 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1v99 n LYS 101 Cb 0.58 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1v99 n LYS 101 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24