#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 0.16 -0.05 3.17 -4.36 -0.38 -1.70 121.20 118.05 1v99 s ILE 2 Ca 0.00 -1.84 0.05 0.00 -0.26 0.00 0.00 60.65 58.60 1v99 s ILE 2 Cb 0.00 -1.79 -0.02 0.00 1.25 0.00 0.00 42.46 41.90 1v99 s ILE 2 CO 0.00 -0.71 -0.20 -0.63 0.24 0.00 0.00 174.94 173.63 1v99 s ILE 3 N -3.98 2.53 -0.12 8.37 1.01 -0.55 -2.20 121.20 126.26 1v99 s ILE 3 Ca 0.16 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1v99 s ILE 3 Cb 0.08 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1v99 s ILE 3 CO -0.04 0.58 -0.23 -0.69 0.00 0.00 0.00 174.94 174.56 1v99 s VAL 4 N -0.52 2.01 -0.14 2.92 1.01 0.26 -1.26 120.40 124.68 1v99 s VAL 4 Ca 0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 1v99 s VAL 4 Cb -0.11 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1v99 s VAL 4 CO 0.01 0.55 -0.08 -0.47 0.00 0.00 0.00 175.10 175.10 1v99 s TYR 5 N 0.57 2.92 0.18 5.22 6.14 0.27 -0.46 117.35 132.18 1v99 s TYR 5 Ca -0.13 -0.46 -0.05 0.00 0.64 0.00 0.00 57.07 57.06 1v99 s TYR 5 Cb -0.17 -1.90 -0.03 0.00 0.42 0.00 0.00 41.96 40.29 1v99 s TYR 5 CO 0.04 -0.12 0.21 -0.08 0.64 0.00 0.00 175.55 176.24 1v99 s THR 6 N 0.34 0.04 0.10 4.34 -1.32 -0.87 -1.35 115.64 116.92 1v99 s THR 6 Ca -0.07 -1.74 0.04 0.00 -1.21 0.00 0.00 61.69 58.71 1v99 s THR 6 Cb -0.15 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1v99 s THR 6 CO 0.04 -0.17 -0.11 0.42 -2.21 0.00 0.00 174.62 172.59 1v99 s THR 7 N -4.07 1.03 0.17 5.08 -4.23 -1.26 -0.69 115.64 111.68 1v99 s THR 7 Ca 0.28 -1.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1v99 s THR 7 Cb 0.05 -1.35 -0.05 0.00 1.34 0.00 0.00 72.50 72.49 1v99 s THR 7 CO 0.06 -0.49 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.17 1v99 s PHE 8 N -2.25 1.49 -0.21 3.99 0.40 0.02 -4.79 117.98 116.64 1v99 s PHE 8 Ca 0.05 -0.66 0.26 0.00 -0.60 0.00 0.00 56.93 55.99 1v99 s PHE 8 Cb -0.04 -0.72 0.71 0.00 0.51 0.00 0.00 43.02 43.48 1v99 s PHE 8 CO 0.01 0.22 1.74 -1.00 0.70 0.00 0.00 175.22 176.90 1v99 h PRO 9 N 2.71 0.00 -2.93 0.24 0.13 -1.88 -0.72 132.00 129.54 1v99 h PRO 9 Ca -0.37 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.80 1v99 h PRO 9 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1v99 h PRO 9 CO 0.62 0.04 0.28 0.16 -0.23 0.00 0.00 178.00 178.87 1v99 s ASP 10 N -6.04 -0.13 0.21 1.44 1.47 -1.26 -4.69 116.67 107.67 1v99 s ASP 10 Ca 0.04 -0.82 0.03 0.00 1.18 0.00 0.00 52.55 52.98 1v99 s ASP 10 Cb 0.07 0.75 0.18 0.00 -0.34 0.00 0.00 42.92 43.58 1v99 s ASP 10 CO 0.63 -1.44 1.51 -0.50 0.68 0.00 0.00 175.17 176.05 1v99 h TRP 11 N 2.00 0.37 0.04 2.11 4.06 -1.97 -2.53 115.95 120.04 1v99 h TRP 11 Ca -0.25 -0.15 0.01 0.00 2.06 0.00 0.00 58.89 60.56 1v99 h TRP 11 Cb 1.25 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 29.33 1v99 h TRP 11 CO 0.86 0.85 -0.10 1.49 -3.56 0.00 0.00 178.44 177.99 1v99 h GLU 12 N 0.20 -0.18 -0.42 0.49 4.81 -1.99 -0.89 114.58 116.60 1v99 h GLU 12 Ca -0.01 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1v99 h GLU 12 Cb 1.19 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1v99 h GLU 12 CO 0.10 -0.12 -0.23 0.66 -0.73 0.00 0.00 179.01 178.70 1v99 h SER 13 N -0.19 0.92 -0.10 1.04 4.64 -1.99 -2.10 113.55 115.77 1v99 h SER 13 Ca 0.02 -0.41 0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1v99 h SER 13 Cb 0.21 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1v99 h SER 13 CO -0.07 1.13 -0.07 0.00 -0.87 0.00 0.00 176.83 176.96 1v99 h ALA 14 N 0.82 0.02 -0.29 5.18 0.00 -1.27 -0.79 119.26 122.93 1v99 h ALA 14 Ca 0.09 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1v99 h ALA 14 Cb 0.80 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1v99 h ALA 14 CO 0.07 -0.52 -0.40 0.93 0.00 0.00 0.00 179.25 179.32 1v99 h GLU 15 N -0.07 0.70 -0.21 0.00 5.08 -1.18 -1.28 114.58 117.62 1v99 h GLU 15 Ca 0.06 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1v99 h GLU 15 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1v99 h GLU 15 CO -0.15 0.97 0.08 0.87 -1.00 0.00 0.00 179.01 179.78 1v99 h LYS 16 N 0.57 0.32 0.15 2.33 1.57 -1.18 0.03 116.57 120.37 1v99 h LYS 16 Ca 0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1v99 h LYS 16 Cb 0.94 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1v99 h LYS 16 CO 0.09 0.40 -0.07 0.28 -0.57 0.00 0.00 179.45 179.57 1v99 h VAL 17 N 0.18 0.93 -0.70 0.50 2.07 -1.11 -2.08 116.25 116.04 1v99 h VAL 17 Ca 0.07 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1v99 h VAL 17 Cb 0.20 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1v99 h VAL 17 CO -0.00 0.08 0.44 0.58 0.02 0.00 0.00 177.57 178.69 1v99 h VAL 18 N -0.35 1.12 -0.08 2.57 2.07 -1.20 -1.18 116.25 119.19 1v99 h VAL 18 Ca -0.02 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1v99 h VAL 18 Cb 0.28 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1v99 h VAL 18 CO 0.03 0.16 -0.19 0.11 0.02 0.00 0.00 177.57 177.71 1v99 h LYS 19 N 0.88 0.14 -0.26 1.57 1.57 -0.93 -1.10 116.57 118.43 1v99 h LYS 19 Ca 0.27 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1v99 h LYS 19 Cb -0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1v99 h LYS 19 CO -0.09 0.33 -0.35 1.15 -0.57 0.00 0.00 179.45 179.92 1v99 h THR 20 N 0.13 1.31 -0.66 -0.16 2.02 -0.62 -0.80 112.91 114.13 1v99 h THR 20 Ca 0.02 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.64 1v99 h THR 20 Cb 0.41 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1v99 h THR 20 CO 0.03 0.49 0.31 -0.07 0.37 0.00 0.00 175.52 176.64 1v99 h LEU 21 N 0.42 0.85 -0.08 2.58 3.38 -0.79 -1.51 115.31 120.17 1v99 h LEU 21 Ca 0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1v99 h LEU 21 Cb 0.93 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1v99 h LEU 21 CO 0.08 0.73 -0.08 -0.07 0.09 0.00 0.00 178.44 179.19 1v99 h LEU 22 N 0.94 0.21 -1.31 1.67 3.38 -1.11 0.25 115.31 119.34 1v99 h LEU 22 Ca 0.23 -0.48 0.11 0.00 0.09 0.00 0.00 57.88 57.82 1v99 h LEU 22 Cb 0.11 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1v99 h LEU 22 CO -0.03 0.65 0.54 0.50 0.09 0.00 0.00 178.44 180.19 1v99 h LYS 23 N -0.23 0.73 -0.04 1.13 3.64 -0.87 0.37 116.57 121.31 1v99 h LYS 23 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1v99 h LYS 23 Cb 0.59 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1v99 h LYS 23 CO 0.02 0.48 0.00 0.39 -2.27 0.00 0.00 179.45 178.07 1v99 n GLU 24 N -4.52 1.47 -3.51 1.90 1.02 -0.59 -4.93 120.64 111.48 1v99 n GLU 24 Ca 0.14 -0.69 -0.25 0.00 -0.02 0.00 0.00 57.16 56.34 1v99 n GLU 24 Cb 0.35 -1.45 0.04 0.00 -0.02 0.00 0.00 31.44 30.36 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 -0.14 -5.87 0.09 3.49 1.74 0.13 -4.70 116.66 111.39 1v99 n ARG 25 Ca 0.19 0.74 0.12 0.00 -0.77 0.00 0.00 57.85 58.13 1v99 n ARG 25 Cb 0.27 -5.65 0.20 0.00 -1.02 0.00 0.00 32.46 26.26 1v99 n ARG 25 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1v99 h LEU 26 N -1.96 0.00 -8.02 0.55 3.38 -1.19 -0.34 115.31 107.73 1v99 h LEU 26 Ca -0.55 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.19 1v99 h LEU 26 Cb 1.36 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.95 1v99 h LEU 26 CO 0.59 0.06 -0.58 0.27 0.09 0.00 0.00 178.44 178.87 1v99 s ILE 27 N -3.18 0.16 -0.20 1.22 -4.36 -1.23 -4.75 121.20 108.86 1v99 s ILE 27 Ca 0.06 -1.34 0.22 0.00 -0.26 0.00 0.00 60.65 59.34 1v99 s ILE 27 Cb 0.12 -1.10 -0.05 0.00 1.25 0.00 0.00 42.46 42.67 1v99 s ILE 27 CO 0.70 -0.74 0.95 0.00 0.24 0.00 0.00 174.94 176.09 1v99 n ALA 28 N 0.52 2.51 -3.38 2.27 0.00 -0.39 -4.61 120.51 117.43 1v99 n ALA 28 Ca -0.17 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 1v99 n ALA 28 Cb 0.59 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 1v99 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v99 s ALA 30 N -3.35 -1.39 -0.15 0.00 0.00 -1.26 -5.04 121.76 110.56 1v99 s ALA 30 Ca -0.02 0.84 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1v99 s ALA 30 Cb 0.10 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1v99 s ALA 30 CO 0.81 -0.39 -0.21 -0.80 0.00 0.00 0.00 175.76 175.16 1v99 s ASN 31 N -1.49 3.12 -0.08 0.00 0.02 0.20 -4.96 114.94 111.75 1v99 s ASN 31 Ca -0.10 -0.62 0.03 0.00 -1.02 0.00 0.00 52.86 51.16 1v99 s ASN 31 Cb -0.01 -1.46 -0.02 0.00 0.02 0.00 0.00 41.25 39.78 1v99 s ASN 31 CO 0.05 0.06 -0.18 -0.76 0.02 0.00 0.00 177.10 176.28 1v99 s LEU 32 N 0.96 2.48 -0.10 0.60 1.02 -1.26 -0.87 118.68 121.52 1v99 s LEU 32 Ca -0.03 -0.35 -0.22 0.00 0.02 0.00 0.00 54.13 53.55 1v99 s LEU 32 Cb -0.15 -1.50 0.05 0.00 0.02 0.00 0.00 46.19 44.61 1v99 s LEU 32 CO -0.05 0.25 0.52 0.00 0.02 0.00 0.00 176.35 177.09 1v99 s ARG 33 N -0.19 0.79 0.69 1.70 3.03 -0.59 -4.99 118.95 119.39 1v99 s ARG 33 Ca -0.01 0.32 -0.12 0.00 2.03 0.00 0.00 55.73 57.94 1v99 s ARG 33 Cb -0.13 0.37 0.01 0.00 -1.03 0.00 0.00 34.95 34.17 1v99 s ARG 33 CO 0.03 -0.19 1.08 -1.21 -1.13 0.00 0.00 175.30 173.88 1v99 s GLU 34 N -0.67 2.83 0.26 3.89 2.02 -1.26 -0.37 118.70 125.38 1v99 s GLU 34 Ca -0.08 1.14 -0.22 0.00 0.02 0.00 0.00 54.97 55.83 1v99 s GLU 34 Cb -0.03 -1.97 0.03 0.00 0.10 0.00 0.00 34.13 32.26 1v99 s GLU 34 CO 0.05 -1.20 0.75 -3.38 0.02 0.00 0.00 175.26 171.50 1v99 s HIS 35 N -2.76 -0.19 -0.20 1.61 -3.43 -0.81 -4.81 115.29 104.69 1v99 s HIS 35 Ca 0.61 -0.23 -0.03 0.00 -0.80 0.00 0.00 55.06 54.61 1v99 s HIS 35 Cb -0.16 0.69 -0.01 0.00 -1.43 0.00 0.00 32.58 31.67 1v99 s HIS 35 CO 0.49 -1.16 -0.06 1.03 -2.00 0.00 0.00 174.74 173.04 1v99 s ARG 36 N -3.81 3.40 0.03 -0.38 0.52 -1.26 -1.50 118.95 115.95 1v99 s ARG 36 Ca 0.11 -0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 54.59 1v99 s ARG 36 Cb -0.05 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1v99 s ARG 36 CO 0.06 -0.10 0.36 0.00 0.02 0.00 0.00 175.30 175.64 1v99 s ALA 37 N 1.21 3.75 -0.09 2.13 0.00 0.42 -4.90 121.76 124.28 1v99 s ALA 37 Ca 0.03 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1v99 s ALA 37 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1v99 s ALA 37 CO -0.02 0.56 -0.19 -0.06 0.00 0.00 0.00 175.76 176.05 1v99 s PHE 38 N -1.25 2.14 0.21 0.00 0.40 -1.26 -0.95 117.98 117.26 1v99 s PHE 38 Ca 0.28 -0.88 -0.23 0.00 -0.60 0.00 0.00 56.93 55.49 1v99 s PHE 38 Cb -0.15 -1.47 0.05 0.00 0.51 0.00 0.00 43.02 41.96 1v99 s PHE 38 CO 0.15 -0.39 0.88 1.52 0.70 0.00 0.00 175.22 178.08 1v99 s TYR 39 N 0.55 -0.12 0.17 0.36 1.13 -0.83 -4.99 117.35 113.62 1v99 s TYR 39 Ca -0.15 -0.26 -0.27 0.00 -1.41 0.00 0.00 57.07 54.97 1v99 s TYR 39 Cb -0.17 0.68 -0.08 0.00 -1.10 0.00 0.00 41.96 41.29 1v99 s TYR 39 CO 0.05 -1.00 0.85 -1.58 -2.51 0.00 0.00 175.55 171.36 1v99 s TRP 40 N -3.36 3.90 -0.29 -3.49 0.52 -1.26 -0.34 118.94 114.62 1v99 s TRP 40 Ca 0.13 1.72 -0.14 0.00 0.02 0.00 0.00 56.10 57.83 1v99 s TRP 40 Cb -0.03 -2.88 0.11 0.00 -1.15 0.00 0.00 33.47 29.53 1v99 s TRP 40 CO 0.04 0.43 0.74 -0.46 0.02 0.00 0.00 176.95 177.73 1v99 s TRP 41 N -0.87 -1.06 -1.41 -1.98 -0.11 0.35 -4.89 118.94 108.97 1v99 s TRP 41 Ca 0.39 1.98 -0.10 0.00 1.22 0.00 0.00 56.10 59.59 1v99 s TRP 41 Cb -0.24 0.64 0.03 0.00 -1.50 0.00 0.00 33.47 32.40 1v99 s TRP 41 CO 0.28 -0.53 1.11 0.39 -4.62 0.00 0.00 176.95 173.58 1v99 n GLU 42 N 4.70 -7.09 -0.97 5.86 1.02 -1.26 -2.25 120.64 120.66 1v99 n GLU 42 Ca -0.16 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1v99 n GLU 42 Cb 0.55 -5.74 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 1v99 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v99 n GLY 43 N -1.87 0.71 3.22 0.62 0.00 -1.26 -5.01 105.19 101.60 1v99 n GLY 43 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1v99 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v99 s LYS 44 N -0.16 1.23 -0.29 1.61 -2.85 -0.95 -5.12 119.74 113.22 1v99 s LYS 44 Ca 0.00 -1.63 -0.24 0.00 -1.00 0.00 0.00 55.97 53.09 1v99 s LYS 44 Cb 0.00 0.28 -0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1v99 s LYS 44 CO 0.00 -0.41 0.82 0.42 0.10 0.00 0.00 175.35 176.29 1v99 s ILE 45 N -4.13 4.79 0.06 3.79 1.01 -1.26 -0.50 121.20 124.96 1v99 s ILE 45 Ca 0.39 1.35 0.04 0.00 0.00 0.00 0.00 60.65 62.43 1v99 s ILE 45 Cb 0.07 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1v99 s ILE 45 CO 0.13 -0.21 -0.02 -0.70 0.00 0.00 0.00 174.94 174.14 1v99 s GLU 46 N 2.97 2.56 -0.12 2.79 2.12 0.54 -4.94 118.70 124.61 1v99 s GLU 46 Ca 0.34 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.88 1v99 s GLU 46 Cb -0.14 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 1v99 s GLU 46 CO 0.11 0.56 -0.12 -1.21 -0.54 0.00 0.00 175.26 174.06 1v99 s GLU 47 N -2.00 3.29 -0.02 4.30 2.02 -1.26 -1.96 118.70 123.07 1v99 s GLU 47 Ca 0.23 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.55 1v99 s GLU 47 Cb -0.11 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.52 1v99 s GLU 47 CO 0.15 0.28 0.03 -0.51 0.02 0.00 0.00 175.26 175.22 1v99 s ASP 48 N 0.19 0.05 0.27 -0.19 1.01 -0.13 -4.96 116.67 112.91 1v99 s ASP 48 Ca -0.07 0.04 -0.29 0.00 0.71 0.00 0.00 52.55 52.94 1v99 s ASP 48 Cb -0.15 -0.05 -0.09 0.00 1.01 0.00 0.00 42.92 43.64 1v99 s ASP 48 CO 0.05 -0.11 1.20 -0.75 0.21 0.00 0.00 175.17 175.77 1v99 s LYS 49 N 0.90 4.50 0.23 8.23 2.20 -1.26 -0.43 119.74 134.10 1v99 s LYS 49 Ca -0.07 1.96 -0.02 0.00 -0.36 0.00 0.00 55.97 57.48 1v99 s LYS 49 Cb -0.11 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1v99 s LYS 49 CO -0.03 -0.01 0.21 -1.21 -0.36 0.00 0.00 175.35 173.96 1v99 s GLU 50 N -1.17 1.34 -0.26 4.03 2.02 -0.56 -4.82 118.70 119.28 1v99 s GLU 50 Ca 0.49 -1.62 0.01 0.00 0.02 0.00 0.00 54.97 53.87 1v99 s GLU 50 Cb -0.35 0.31 0.05 0.00 0.10 0.00 0.00 34.13 34.25 1v99 s GLU 50 CO 0.43 -0.47 -0.09 0.08 0.02 0.00 0.00 175.26 175.23 1v99 s VAL 51 N -4.01 2.40 0.32 2.63 1.01 -0.28 -1.93 120.40 120.54 1v99 s VAL 51 Ca 0.36 -1.50 -0.20 0.00 0.00 0.00 0.00 61.98 60.64 1v99 s VAL 51 Cb 0.05 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 1v99 s VAL 51 CO 0.14 0.00 0.84 -0.83 0.00 0.00 0.00 175.10 175.24 1v99 s GLY 52 N 1.16 2.54 -0.06 4.51 0.00 0.50 -0.80 107.32 115.17 1v99 s GLY 52 Ca -0.07 0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.94 1v99 s GLY 52 CO -0.05 0.60 -0.05 0.00 0.00 0.00 0.00 173.10 173.61 1v99 s ALA 53 N -1.82 0.79 -0.29 3.20 0.00 0.13 -1.54 121.76 122.23 1v99 s ALA 53 Ca 0.52 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 1v99 s ALA 53 Cb -0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1v99 s ALA 53 CO 0.19 -0.12 0.11 0.42 0.00 0.00 0.00 175.76 176.36 1v99 s ILE 54 N 1.15 4.37 -0.00 0.00 1.01 -0.05 -2.04 121.20 125.64 1v99 s ILE 54 Ca -0.07 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1v99 s ILE 54 Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1v99 s ILE 54 CO -0.01 0.15 0.02 -0.76 0.00 0.00 0.00 174.94 174.34 1v99 s LEU 55 N 1.59 3.61 -0.12 2.97 1.43 0.39 -0.63 118.68 127.92 1v99 s LEU 55 Ca 0.05 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1v99 s LEU 55 Cb -0.16 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.99 1v99 s LEU 55 CO 0.05 0.28 -0.19 -0.54 0.23 0.00 0.00 176.35 176.17 1v99 s LYS 56 N -1.59 2.65 0.12 1.70 1.02 -1.26 -0.57 119.74 121.81 1v99 s LYS 56 Ca 0.20 -0.72 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 1v99 s LYS 56 Cb -0.12 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1v99 s LYS 56 CO 0.11 0.00 0.22 -2.37 -0.92 0.00 0.00 175.35 172.39 1v99 n THR 57 N 4.01 0.00 -3.06 2.17 5.66 -0.93 -1.26 114.28 120.87 1v99 n THR 57 Ca -0.20 -0.36 -0.33 0.00 -3.05 0.00 0.00 64.05 60.11 1v99 n THR 57 Cb 0.52 0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 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 -2.08 4.11 0.29 1.09 0.52 -1.26 -1.25 118.95 120.37 1v99 s ARG 58 Ca 0.06 0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 56.06 1v99 s ARG 58 Cb -0.01 -2.47 0.45 0.00 0.52 0.00 0.00 34.95 33.44 1v99 s ARG 58 CO 0.04 0.17 1.93 0.93 0.02 0.00 0.00 175.30 178.39 1v99 h GLU 59 N 2.42 1.09 0.00 3.54 5.08 -1.93 -2.13 114.58 122.64 1v99 h GLU 59 Ca -0.48 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1v99 h GLU 59 Cb 1.18 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1v99 h GLU 59 CO 0.65 0.72 0.00 -0.40 -1.00 0.00 0.00 179.01 178.97 1v99 n ASP 60 N -4.45 0.66 -0.38 1.42 5.75 -1.26 -2.47 116.55 115.82 1v99 n ASP 60 Ca 0.12 0.66 0.13 0.00 -0.01 0.00 0.00 54.79 55.69 1v99 n ASP 60 Cb 0.12 -0.80 0.37 0.00 -1.03 0.00 0.00 41.12 39.78 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 -2.22 1.38 -0.05 -2.12 4.77 -0.80 -4.50 117.00 113.45 1v99 n LEU 61 Ca 0.02 -0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 55.48 1v99 n LEU 61 Cb 0.24 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1v99 n LEU 61 CO 0.20 0.25 0.64 -0.25 -1.33 0.00 0.00 177.39 176.90 1v99 h TRP 62 N 1.87 -0.91 -0.27 -1.77 -0.00 -1.54 0.93 115.95 114.26 1v99 h TRP 62 Ca 0.00 0.05 0.02 0.00 -0.00 0.00 0.00 58.89 58.96 1v99 h TRP 62 Cb 0.56 0.44 -0.02 0.00 -0.00 0.00 0.00 29.16 30.13 1v99 h TRP 62 CO 0.00 -0.39 0.12 0.93 -0.00 0.00 0.00 178.44 179.09 1v99 h GLU 63 N -0.34 0.25 -0.65 2.65 4.39 -1.83 0.12 114.58 119.16 1v99 h GLU 63 Ca 0.13 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1v99 h GLU 63 Cb 0.54 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1v99 h GLU 63 CO -0.43 0.16 0.20 1.49 -1.16 0.00 0.00 179.01 179.27 1v99 h GLU 64 N 0.26 1.02 -0.24 2.33 4.81 -1.79 -2.30 114.58 118.65 1v99 h GLU 64 Ca 0.11 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1v99 h GLU 64 Cb 0.05 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1v99 h GLU 64 CO -0.09 0.89 0.08 1.25 -0.73 0.00 0.00 179.01 180.41 1v99 h LEU 65 N 0.95 0.35 -0.43 1.64 5.85 -0.46 -1.91 115.31 121.31 1v99 h LEU 65 Ca 0.21 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1v99 h LEU 65 Cb 0.30 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1v99 h LEU 65 CO -0.01 0.46 0.20 0.50 -0.34 0.00 0.00 178.44 179.26 1v99 h LYS 66 N 0.23 0.39 -0.40 1.25 3.64 -0.66 -0.17 116.57 120.84 1v99 h LYS 66 Ca 0.08 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1v99 h LYS 66 Cb 0.24 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1v99 h LYS 66 CO -0.00 0.26 0.00 0.93 -2.27 0.00 0.00 179.45 178.37 1v99 h GLU 67 N 0.40 0.63 -0.30 1.90 4.39 -1.34 -1.77 114.58 118.49 1v99 h GLU 67 Ca 0.19 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1v99 h GLU 67 Cb 0.12 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1v99 h GLU 67 CO -0.15 0.65 -0.21 -0.09 -1.16 0.00 0.00 179.01 178.05 1v99 h ARG 68 N 0.60 0.67 -0.88 2.33 9.65 -0.76 -2.37 114.38 123.63 1v99 h ARG 68 Ca 0.12 -0.32 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 1v99 h ARG 68 Cb 0.37 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 1v99 h ARG 68 CO 0.01 0.93 0.47 0.82 2.80 0.00 0.00 179.97 185.00 1v99 h ILE 69 N 0.42 1.26 -0.94 1.20 2.04 -0.83 -1.24 117.51 119.42 1v99 h ILE 69 Ca 0.06 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.30 1v99 h ILE 69 Cb 0.76 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1v99 h ILE 69 CO 0.06 0.29 0.62 0.11 0.00 0.00 0.00 178.15 179.22 1v99 h LYS 70 N 1.23 1.17 0.00 2.37 1.57 -1.15 0.31 116.57 122.08 1v99 h LYS 70 Ca 0.31 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1v99 h LYS 70 Cb 0.04 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1v99 h LYS 70 CO -0.05 0.78 -0.54 0.93 -0.57 0.00 0.00 179.45 179.99 1v99 h GLU 71 N 1.21 0.00 0.00 3.15 5.08 -0.83 -3.32 114.58 119.87 1v99 h GLU 71 Ca 0.37 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.57 1v99 h GLU 71 Cb -0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1v99 h GLU 71 CO -0.11 0.54 -2.00 1.28 -1.00 0.00 0.00 179.01 177.73 1v99 n LEU 72 N -3.81 0.18 -4.76 1.33 4.77 -0.54 -5.01 117.00 109.16 1v99 n LEU 72 Ca -0.01 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 1v99 n LEU 72 Cb 0.57 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.83 1v99 n LEU 72 CO 0.41 0.19 1.16 -2.28 -1.33 0.00 0.00 177.39 175.54 1v99 s HIS 73 N -3.06 2.82 0.20 -1.77 2.46 0.11 -4.94 115.29 111.11 1v99 s HIS 73 Ca -0.08 0.98 0.15 0.00 0.47 0.00 0.00 55.06 56.58 1v99 s HIS 73 Cb 0.10 -3.96 0.52 0.00 -0.13 0.00 0.00 32.58 29.11 1v99 s HIS 73 CO 0.86 -3.08 1.67 -1.00 -2.47 0.00 0.00 174.74 170.73 1v99 h PRO 74 N 4.43 0.00 -6.91 2.88 0.13 -1.93 -3.44 132.00 127.16 1v99 h PRO 74 Ca -0.48 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.18 1v99 h PRO 74 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1v99 h PRO 74 CO 0.75 0.48 0.38 0.71 -0.23 0.00 0.00 178.00 180.09 1v99 s TYR 75 N -3.58 3.54 0.18 1.56 2.02 -1.26 -4.96 117.35 114.85 1v99 s TYR 75 Ca -0.00 1.73 0.03 0.00 -0.37 0.00 0.00 57.07 58.45 1v99 s TYR 75 Cb 0.11 -3.01 0.05 0.00 -0.40 0.00 0.00 41.96 38.71 1v99 s TYR 75 CO 0.72 -0.12 1.42 -0.44 -1.57 0.00 0.00 175.55 175.55 1v99 h ASP 76 N 2.96 0.26 -2.55 2.29 3.32 -1.99 -3.35 116.42 117.35 1v99 h ASP 76 Ca -0.47 -0.19 -0.60 0.00 0.02 0.00 0.00 57.03 55.79 1v99 h ASP 76 Cb 1.20 -0.08 -0.40 0.00 0.22 0.00 0.00 39.33 40.27 1v99 h ASP 76 CO 0.64 0.96 -0.78 0.52 -1.72 0.00 0.00 179.24 178.87 1v99 n VAL 77 N -3.70 0.54 -1.77 -1.35 0.31 -1.26 -5.11 118.33 105.99 1v99 n VAL 77 Ca -0.03 -4.36 -0.31 0.00 -0.01 0.00 0.00 64.34 59.63 1v99 n VAL 77 Cb 0.76 -1.97 0.03 0.00 -0.91 0.00 0.00 33.84 31.75 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 -1.13 3.22 -0.23 5.55 0.04 -1.26 -5.02 135.00 136.17 1v99 s PRO 78 Ca 0.31 0.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1v99 s PRO 78 Cb 0.05 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1v99 s PRO 78 CO -0.14 -0.88 0.46 0.00 0.04 0.00 0.00 177.00 176.48 1v99 s ALA 79 N -2.96 3.56 -0.42 8.56 0.00 -1.26 -5.00 121.76 124.24 1v99 s ALA 79 Ca 0.58 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1v99 s ALA 79 Cb -0.13 -2.76 0.13 0.00 0.00 0.00 0.00 23.12 20.35 1v99 s ALA 79 CO 0.50 -0.51 0.22 0.42 0.00 0.00 0.00 175.76 176.39 1v99 s ILE 80 N 1.78 1.33 -0.25 0.00 1.01 -1.26 -4.03 121.20 119.79 1v99 s ILE 80 Ca 0.20 -2.42 -0.08 0.00 0.00 0.00 0.00 60.65 58.35 1v99 s ILE 80 Cb -0.15 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1v99 s ILE 80 CO 0.09 -0.87 0.09 -0.63 0.00 0.00 0.00 174.94 173.62 1v99 s ILE 81 N 0.49 4.54 -0.22 2.92 1.01 -0.46 -4.94 121.20 124.54 1v99 s ILE 81 Ca 0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 1v99 s ILE 81 Cb -0.24 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1v99 s ILE 81 CO -0.02 0.34 0.24 -0.60 0.00 0.00 0.00 174.94 174.89 1v99 s ARG 82 N 1.51 4.13 -0.18 2.79 3.52 -1.26 -0.57 118.95 128.89 1v99 s ARG 82 Ca 0.06 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1v99 s ARG 82 Cb -0.15 -3.52 0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1v99 s ARG 82 CO 0.05 0.07 -0.08 0.42 -0.81 0.00 0.00 175.30 174.95 1v99 s ILE 83 N 1.01 1.33 0.33 4.11 1.01 -0.39 -5.01 121.20 123.59 1v99 s ILE 83 Ca 0.12 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 1v99 s ILE 83 Cb -0.14 -1.45 -0.10 0.00 0.01 0.00 0.00 42.46 40.78 1v99 s ILE 83 CO 0.05 0.16 1.30 -1.81 0.00 0.00 0.00 174.94 174.64 1v99 s ASP 84 N 1.54 6.80 -0.22 3.58 1.11 -1.26 -1.48 116.67 126.74 1v99 s ASP 84 Ca 0.00 2.67 -0.20 0.00 0.18 0.00 0.00 52.55 55.20 1v99 s ASP 84 Cb -0.15 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.16 1v99 s ASP 84 CO -0.08 -0.52 0.60 -0.69 1.18 0.00 0.00 175.17 175.67 1v99 s VAL 85 N -1.11 5.03 0.16 -1.27 1.01 -0.69 -4.90 120.40 118.63 1v99 s VAL 85 Ca 0.49 1.11 -0.09 0.00 0.00 0.00 0.00 61.98 63.49 1v99 s VAL 85 Cb -0.39 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1v99 s VAL 85 CO 0.52 0.10 1.48 0.44 0.00 0.00 0.00 175.10 177.64 1v99 h ASP 86 N 7.63 0.92 -4.99 3.32 3.32 -1.94 -3.41 116.42 121.27 1v99 h ASP 86 Ca -0.30 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.29 1v99 h ASP 86 Cb 1.14 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.30 1v99 h ASP 86 CO 0.76 1.21 0.21 -0.62 -1.72 0.00 0.00 179.24 179.09 1v99 s ASP 87 N -6.87 -0.58 0.00 6.45 3.68 -1.26 -5.08 116.67 113.02 1v99 s ASP 87 Ca -0.10 0.11 -0.29 0.00 2.13 0.00 0.00 52.55 54.40 1v99 s ASP 87 Cb 0.11 0.59 0.07 0.00 -1.45 0.00 0.00 42.92 42.24 1v99 s ASP 87 CO 0.87 -0.91 0.68 0.54 0.13 0.00 0.00 175.17 176.49 1v99 s VAL 88 N -3.34 0.00 0.28 1.11 0.11 -1.26 -5.12 120.40 112.19 1v99 s VAL 88 Ca -0.01 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.74 1v99 s VAL 88 Cb -0.01 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.72 1v99 s VAL 88 CO -0.09 0.00 1.55 -0.46 -3.33 0.00 0.00 175.10 172.77 1v99 n ASN 89 N 0.51 3.62 0.06 3.54 6.94 -1.26 -4.86 115.26 123.80 1v99 n ASN 89 Ca -0.18 1.15 0.11 0.00 -0.02 0.00 0.00 54.58 55.64 1v99 n ASN 89 Cb 0.59 -1.56 0.45 0.00 -2.36 0.00 0.00 39.78 36.91 1v99 n ASN 89 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1v99 n GLU 90 N 2.11 0.11 0.08 -3.83 1.02 -1.26 -2.30 120.64 116.57 1v99 n GLU 90 Ca 0.09 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.36 1v99 n GLU 90 Cb 0.36 -1.67 -0.11 0.00 -0.02 0.00 0.00 31.44 30.00 1v99 n GLU 90 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1v99 h ASP 91 N 0.00 0.14 -0.16 1.62 2.03 -1.99 -1.88 116.42 116.18 1v99 h ASP 91 Ca 0.00 -0.15 -0.22 0.00 -0.73 0.00 0.00 57.03 55.93 1v99 h ASP 91 Cb 0.45 -0.05 0.01 0.00 -0.83 0.00 0.00 39.33 38.91 1v99 h ASP 91 CO 0.00 1.09 -0.77 0.22 -1.03 0.00 0.00 179.24 178.75 1v99 h TYR 92 N 0.03 1.09 -0.41 4.15 5.03 -1.87 -2.51 116.97 122.48 1v99 h TYR 92 Ca -0.05 -0.48 -0.08 0.00 2.58 0.00 0.00 58.73 60.71 1v99 h TYR 92 Cb 1.79 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.88 1v99 h TYR 92 CO 0.02 1.31 -0.06 1.25 -1.32 0.00 0.00 178.16 179.36 1v99 h LEU 93 N 0.55 0.67 -0.42 2.82 5.85 -1.46 -0.29 115.31 123.03 1v99 h LEU 93 Ca -0.05 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1v99 h LEU 93 Cb 1.40 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1v99 h LEU 93 CO 0.16 0.78 0.09 0.50 -0.34 0.00 0.00 178.44 179.63 1v99 h LYS 94 N 0.64 0.69 -0.12 1.25 1.63 -1.28 -1.57 116.57 117.81 1v99 h LYS 94 Ca 0.12 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1v99 h LYS 94 Cb 0.49 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1v99 h LYS 94 CO 0.03 0.70 0.06 2.35 -3.45 0.00 0.00 179.45 179.14 1v99 h TRP 95 N 0.55 0.11 -0.49 1.91 7.01 -1.08 -2.32 115.95 121.64 1v99 h TRP 95 Ca 0.13 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.17 1v99 h TRP 95 Cb 0.33 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.32 1v99 h TRP 95 CO 0.02 0.06 0.27 1.25 -2.79 0.00 0.00 178.44 177.25 1v99 h LEU 96 N 0.13 0.41 -1.04 0.65 6.46 -0.85 -2.10 115.31 118.97 1v99 h LEU 96 Ca 0.05 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.72 1v99 h LEU 96 Cb 0.01 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1v99 h LEU 96 CO -0.03 0.29 -0.47 0.16 -0.62 0.00 0.00 178.44 177.76 1v99 h ILE 97 N 0.53 1.30 0.00 4.05 3.07 -1.21 -2.89 117.51 122.36 1v99 h ILE 97 Ca 0.20 -1.64 0.00 0.00 1.55 0.00 0.00 64.86 64.97 1v99 h ILE 97 Cb 0.07 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 1v99 h ILE 97 CO -0.12 0.46 0.00 -0.33 -1.05 0.00 0.00 178.15 177.12 1v99 h GLU 98 N 0.00 0.00 0.00 0.16 4.39 -1.03 -3.19 114.58 114.91 1v99 h GLU 98 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1v99 h GLU 98 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1v99 h GLU 98 CO 0.06 0.00 -0.78 0.39 -1.16 0.00 0.00 179.01 177.52 1v99 n GLU 99 N -2.74 0.02 -3.95 2.33 -0.58 -0.83 -4.94 120.64 109.96 1v99 n GLU 99 Ca 0.04 -0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.48 1v99 n GLU 99 Cb 0.45 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.77 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 -3.02 5.21 0.87 2.62 -4.23 -1.11 -4.85 115.64 111.15 1v99 s THR 100 Ca 0.09 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.99 1v99 s THR 100 Cb 0.17 -3.55 0.09 0.00 1.34 0.00 0.00 72.50 70.55 1v99 s THR 100 CO 0.79 0.12 0.99 2.29 -0.54 0.00 0.00 174.62 178.26 1v99 n LYS 101 N 0.24 -0.16 0.00 3.99 2.85 -0.14 -4.98 118.16 119.97 1v99 n LYS 101 Ca -0.06 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1v99 n LYS 101 Cb 0.51 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 1v99 n LYS 101 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52