#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 0.15 -0.06 3.17 -4.36 -0.49 -1.81 121.20 117.80 1v99 s ILE 2 Ca 0.00 -1.80 0.05 0.00 -0.26 0.00 0.00 60.65 58.64 1v99 s ILE 2 Cb 0.00 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.90 1v99 s ILE 2 CO 0.00 -0.66 -0.20 -0.63 0.24 0.00 0.00 174.94 173.69 1v99 s ILE 3 N -3.98 2.50 -0.11 8.37 -1.09 -0.33 -2.47 121.20 124.08 1v99 s ILE 3 Ca 0.16 -0.92 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 1v99 s ILE 3 Cb 0.07 -1.94 0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1v99 s ILE 3 CO -0.03 0.57 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.36 1v99 s VAL 4 N -0.38 1.79 -0.11 2.92 1.01 0.22 -1.07 120.40 124.79 1v99 s VAL 4 Ca 0.03 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 1v99 s VAL 4 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1v99 s VAL 4 CO 0.02 0.50 -0.11 -0.47 0.00 0.00 0.00 175.10 175.04 1v99 s TYR 5 N 0.67 2.85 0.22 5.22 6.14 0.23 -0.04 117.35 132.63 1v99 s TYR 5 Ca -0.12 -0.41 -0.07 0.00 0.64 0.00 0.00 57.07 57.11 1v99 s TYR 5 Cb -0.16 -1.82 -0.02 0.00 0.42 0.00 0.00 41.96 40.38 1v99 s TYR 5 CO 0.03 -0.05 0.29 -0.08 0.64 0.00 0.00 175.55 176.38 1v99 s THR 6 N 0.04 0.01 0.09 4.34 -1.32 -0.75 -1.30 115.64 116.75 1v99 s THR 6 Ca -0.03 -1.70 0.04 0.00 -1.21 0.00 0.00 61.69 58.78 1v99 s THR 6 Cb -0.14 -2.32 -0.03 0.00 -1.51 0.00 0.00 72.50 68.49 1v99 s THR 6 CO 0.04 -0.03 -0.11 0.42 -2.21 0.00 0.00 174.62 172.73 1v99 s THR 7 N -4.08 0.95 0.14 5.08 -4.23 -1.26 -0.83 115.64 111.41 1v99 s THR 7 Ca 0.30 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 1v99 s THR 7 Cb 0.03 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 1v99 s THR 7 CO 0.10 -0.48 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.21 1v99 s PHE 8 N -2.13 1.42 -0.37 3.99 0.40 0.30 -4.79 117.98 116.80 1v99 s PHE 8 Ca 0.03 -0.60 0.27 0.00 -0.60 0.00 0.00 56.93 56.02 1v99 s PHE 8 Cb -0.05 -0.72 0.88 0.00 0.51 0.00 0.00 43.02 43.64 1v99 s PHE 8 CO 0.01 0.17 1.78 -1.00 0.70 0.00 0.00 175.22 176.87 1v99 h PRO 9 N 3.18 0.00 -2.57 0.24 0.13 -1.89 -0.23 132.00 130.86 1v99 h PRO 9 Ca -0.39 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.88 1v99 h PRO 9 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1v99 h PRO 9 CO 0.56 0.00 0.43 0.16 -0.23 0.00 0.00 178.00 178.92 1v99 s ASP 10 N -5.22 -0.14 0.29 1.44 1.47 -1.26 -4.73 116.67 108.52 1v99 s ASP 10 Ca 0.06 -0.58 0.10 0.00 1.18 0.00 0.00 52.55 53.31 1v99 s ASP 10 Cb 0.09 0.58 0.41 0.00 -0.34 0.00 0.00 42.92 43.66 1v99 s ASP 10 CO 0.55 -1.09 1.65 -0.50 0.68 0.00 0.00 175.17 176.46 1v99 h TRP 11 N 2.00 0.03 0.15 2.11 4.06 -1.97 -2.41 115.95 119.93 1v99 h TRP 11 Ca -0.25 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.69 1v99 h TRP 11 Cb 1.23 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 1v99 h TRP 11 CO 0.68 0.59 -0.08 1.49 -3.56 0.00 0.00 178.44 177.56 1v99 h GLU 12 N 0.02 -0.20 -0.33 0.49 4.81 -1.99 -0.83 114.58 116.54 1v99 h GLU 12 Ca -0.01 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1v99 h GLU 12 Cb 1.02 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1v99 h GLU 12 CO 0.08 -0.14 -0.37 0.66 -0.73 0.00 0.00 179.01 178.51 1v99 h SER 13 N -0.21 0.90 0.09 1.04 4.64 -1.99 -2.31 113.55 115.71 1v99 h SER 13 Ca -0.02 -0.48 0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1v99 h SER 13 Cb 0.17 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1v99 h SER 13 CO 0.03 1.20 -0.27 0.00 -0.87 0.00 0.00 176.83 176.92 1v99 h ALA 14 N 0.73 -0.43 -0.44 5.18 0.00 -1.29 0.49 119.26 123.50 1v99 h ALA 14 Ca 0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1v99 h ALA 14 Cb 0.96 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1v99 h ALA 14 CO 0.09 -0.80 -0.17 0.93 0.00 0.00 0.00 179.25 179.31 1v99 h GLU 15 N -0.46 0.83 -0.03 0.00 5.08 -1.22 -1.57 114.58 117.22 1v99 h GLU 15 Ca 0.04 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1v99 h GLU 15 Cb 0.50 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1v99 h GLU 15 CO -0.18 0.94 0.02 -0.22 -1.00 0.00 0.00 179.01 178.57 1v99 h LYS 16 N 0.73 0.04 -0.11 2.33 1.63 -1.14 -0.44 116.57 119.61 1v99 h LYS 16 Ca 0.11 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1v99 h LYS 16 Cb 0.68 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1v99 h LYS 16 CO 0.05 0.08 0.02 0.28 -3.45 0.00 0.00 179.45 176.42 1v99 h VAL 17 N -0.01 1.22 -0.51 2.00 2.07 -0.85 -2.18 116.25 117.99 1v99 h VAL 17 Ca 0.01 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1v99 h VAL 17 Cb 0.05 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1v99 h VAL 17 CO -0.00 0.20 0.02 -0.37 0.02 0.00 0.00 177.57 177.44 1v99 h VAL 18 N -0.05 1.24 -0.03 2.57 -1.51 -1.28 -1.36 116.25 115.84 1v99 h VAL 18 Ca 0.03 -1.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.42 1v99 h VAL 18 Cb 0.30 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1v99 h VAL 18 CO 0.00 0.36 -0.38 0.11 -1.23 0.00 0.00 177.57 176.43 1v99 h LYS 19 N 0.79 0.07 -0.24 5.19 1.57 -1.05 -1.17 116.57 121.72 1v99 h LYS 19 Ca 0.16 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1v99 h LYS 19 Cb 0.44 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1v99 h LYS 19 CO 0.02 0.44 -0.28 1.15 -0.57 0.00 0.00 179.45 180.21 1v99 h THR 20 N 0.06 1.32 -0.54 -0.16 2.02 -0.86 -1.11 112.91 113.64 1v99 h THR 20 Ca 0.00 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.69 1v99 h THR 20 Cb 0.70 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1v99 h THR 20 CO 0.05 0.46 0.16 -0.07 0.37 0.00 0.00 175.52 176.48 1v99 h LEU 21 N 0.32 0.74 -0.23 2.58 3.38 -0.97 -1.88 115.31 119.25 1v99 h LEU 21 Ca 0.03 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1v99 h LEU 21 Cb 0.84 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1v99 h LEU 21 CO 0.07 0.71 -0.28 -0.07 0.09 0.00 0.00 178.44 178.96 1v99 h LEU 22 N 0.78 0.64 -1.64 1.67 3.38 -1.11 -0.24 115.31 118.80 1v99 h LEU 22 Ca 0.18 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1v99 h LEU 22 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1v99 h LEU 22 CO -0.01 1.01 0.04 0.11 0.09 0.00 0.00 178.44 179.68 1v99 h LYS 23 N 0.29 0.27 -0.12 1.13 1.57 -0.94 0.91 116.57 119.68 1v99 h LYS 23 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1v99 h LYS 23 Cb 0.85 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1v99 h LYS 23 CO 0.07 0.26 0.00 0.39 -0.57 0.00 0.00 179.45 179.60 1v99 n GLU 24 N -4.42 1.63 -3.71 3.15 1.02 -0.73 -4.93 120.64 112.66 1v99 n GLU 24 Ca -0.00 -0.95 -0.28 0.00 -0.02 0.00 0.00 57.16 55.91 1v99 n GLU 24 Cb 0.15 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.17 -5.05 0.10 3.49 1.74 0.31 -4.70 116.66 112.72 1v99 n ARG 25 Ca 0.17 0.61 0.12 0.00 -0.77 0.00 0.00 57.85 57.97 1v99 n ARG 25 Cb 0.30 -5.46 0.16 0.00 -1.02 0.00 0.00 32.46 26.44 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 -1.80 0.00 -8.04 0.55 3.38 -1.28 -0.06 115.31 108.06 1v99 h LEU 26 Ca -0.55 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.21 1v99 h LEU 26 Cb 1.36 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 1v99 h LEU 26 CO 0.64 0.05 -0.56 0.27 0.09 0.00 0.00 178.44 178.93 1v99 s ILE 27 N -3.22 0.18 -1.69 1.22 -4.36 -1.23 -4.74 121.20 107.36 1v99 s ILE 27 Ca 0.05 -1.48 0.19 0.00 -0.26 0.00 0.00 60.65 59.15 1v99 s ILE 27 Cb 0.11 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.47 1v99 s ILE 27 CO 0.72 -0.82 0.95 0.00 0.24 0.00 0.00 174.94 176.03 1v99 n ALA 28 N 0.18 3.35 -3.64 2.27 0.00 -0.54 -4.56 120.51 117.56 1v99 n ALA 28 Ca -0.15 -0.58 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 1v99 n ALA 28 Cb 0.61 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.14 -2.13 -0.17 0.00 0.00 -1.26 -5.03 121.76 111.03 1v99 s ALA 30 Ca 0.15 1.75 0.01 0.00 0.00 0.00 0.00 51.96 53.87 1v99 s ALA 30 Cb 0.15 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.68 1v99 s ALA 30 CO 0.48 -0.16 -0.13 -0.80 0.00 0.00 0.00 175.76 175.14 1v99 s ASN 31 N -0.01 2.97 -0.07 0.00 0.02 0.18 -4.96 114.94 113.07 1v99 s ASN 31 Ca 0.06 -0.64 0.03 0.00 -1.02 0.00 0.00 52.86 51.29 1v99 s ASN 31 Cb -0.05 -1.23 -0.02 0.00 0.02 0.00 0.00 41.25 39.98 1v99 s ASN 31 CO -0.12 -0.08 -0.15 -0.76 0.02 0.00 0.00 177.10 176.01 1v99 s LEU 32 N 1.44 2.66 -0.05 0.60 1.02 -1.26 -0.73 118.68 122.35 1v99 s LEU 32 Ca 0.03 -0.27 -0.22 0.00 0.02 0.00 0.00 54.13 53.69 1v99 s LEU 32 Cb -0.14 -1.55 0.05 0.00 0.02 0.00 0.00 46.19 44.57 1v99 s LEU 32 CO -0.10 0.28 0.50 0.00 0.02 0.00 0.00 176.35 177.05 1v99 s ARG 33 N -0.36 0.83 0.70 1.70 3.03 -0.60 -4.98 118.95 119.27 1v99 s ARG 33 Ca 0.03 0.13 -0.12 0.00 2.03 0.00 0.00 55.73 57.80 1v99 s ARG 33 Cb -0.12 0.39 0.01 0.00 -1.03 0.00 0.00 34.95 34.20 1v99 s ARG 33 CO 0.02 -0.23 1.07 -1.21 -1.13 0.00 0.00 175.30 173.82 1v99 s GLU 34 N -1.05 2.79 0.19 3.89 2.02 -1.26 -0.43 118.70 124.84 1v99 s GLU 34 Ca -0.11 1.11 -0.23 0.00 0.02 0.00 0.00 54.97 55.76 1v99 s GLU 34 Cb -0.03 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.29 1v99 s GLU 34 CO 0.06 -1.23 0.72 -3.38 0.02 0.00 0.00 175.26 171.45 1v99 s HIS 35 N -2.82 -0.34 -0.25 1.61 -3.43 -0.64 -4.81 115.29 104.62 1v99 s HIS 35 Ca 0.61 0.03 -0.09 0.00 -0.80 0.00 0.00 55.06 54.81 1v99 s HIS 35 Cb -0.16 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 1v99 s HIS 35 CO 0.51 -0.97 0.11 1.03 -2.00 0.00 0.00 174.74 173.42 1v99 s ARG 36 N -3.70 3.80 0.03 -0.38 1.81 -1.26 -1.10 118.95 118.15 1v99 s ARG 36 Ca 0.07 -0.41 -0.10 0.00 -1.72 0.00 0.00 55.73 53.57 1v99 s ARG 36 Cb -0.03 -3.42 -0.05 0.00 -0.45 0.00 0.00 34.95 31.00 1v99 s ARG 36 CO -0.03 -0.12 0.36 0.00 -0.68 0.00 0.00 175.30 174.84 1v99 s ALA 37 N 1.47 3.75 -0.10 2.13 0.00 0.17 -4.89 121.76 124.30 1v99 s ALA 37 Ca 0.06 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1v99 s ALA 37 Cb -0.15 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.74 1v99 s ALA 37 CO 0.06 0.56 -0.15 -0.06 0.00 0.00 0.00 175.76 176.17 1v99 s PHE 38 N -1.27 1.86 0.15 0.00 0.40 -1.26 -0.06 117.98 117.81 1v99 s PHE 38 Ca 0.28 -0.82 -0.25 0.00 -0.60 0.00 0.00 56.93 55.55 1v99 s PHE 38 Cb -0.14 -1.34 0.06 0.00 0.51 0.00 0.00 43.02 42.11 1v99 s PHE 38 CO 0.15 -0.41 0.81 1.52 0.70 0.00 0.00 175.22 177.99 1v99 s TYR 39 N 0.86 -0.28 0.22 0.36 1.13 -0.45 -4.98 117.35 114.21 1v99 s TYR 39 Ca -0.10 -0.00 -0.30 0.00 -1.41 0.00 0.00 57.07 55.26 1v99 s TYR 39 Cb -0.15 0.62 -0.08 0.00 -1.10 0.00 0.00 41.96 41.24 1v99 s TYR 39 CO 0.01 -0.86 0.96 -1.58 -2.51 0.00 0.00 175.55 171.57 1v99 s TRP 40 N -3.49 3.91 -0.26 -3.49 0.52 -1.26 0.16 118.94 115.02 1v99 s TRP 40 Ca 0.08 1.87 -0.07 0.00 0.02 0.00 0.00 56.10 58.00 1v99 s TRP 40 Cb -0.02 -3.03 0.13 0.00 -1.15 0.00 0.00 33.47 29.39 1v99 s TRP 40 CO -0.02 0.28 0.54 -0.46 0.02 0.00 0.00 176.95 177.31 1v99 s TRP 41 N -0.93 -1.16 -1.27 -1.98 -0.11 0.12 -4.82 118.94 108.79 1v99 s TRP 41 Ca 0.43 1.83 -0.05 0.00 1.22 0.00 0.00 56.10 59.52 1v99 s TRP 41 Cb -0.26 0.53 -0.01 0.00 -1.50 0.00 0.00 33.47 32.23 1v99 s TRP 41 CO 0.33 -0.65 0.68 0.39 -4.62 0.00 0.00 176.95 173.08 1v99 n GLU 42 N 5.42 -3.58 -1.00 5.86 1.02 -1.26 -2.66 120.64 124.43 1v99 n GLU 42 Ca -0.08 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1v99 n GLU 42 Cb 0.50 -4.86 0.00 0.00 -0.02 0.00 0.00 31.44 27.06 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 -1.65 0.56 3.46 0.62 0.00 -1.26 -5.02 105.19 101.90 1v99 n GLY 43 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.00 1.31 -0.29 1.61 -2.85 -1.09 -5.12 119.74 113.30 1v99 s LYS 44 Ca 0.00 -0.93 -0.28 0.00 -1.00 0.00 0.00 55.97 53.76 1v99 s LYS 44 Cb 0.00 0.48 0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1v99 s LYS 44 CO 0.00 -0.54 1.00 0.42 0.10 0.00 0.00 175.35 176.34 1v99 s ILE 45 N -3.89 4.61 0.03 3.79 1.01 -1.26 0.16 121.20 125.65 1v99 s ILE 45 Ca 0.11 1.69 -0.16 0.00 0.00 0.00 0.00 60.65 62.28 1v99 s ILE 45 Cb 0.00 -4.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1v99 s ILE 45 CO -0.03 -0.36 0.47 -1.61 0.00 0.00 0.00 174.94 173.41 1v99 s GLU 46 N 3.39 4.01 -0.22 2.79 0.41 0.41 -4.90 118.70 124.59 1v99 s GLU 46 Ca 0.42 0.52 -0.01 0.00 -0.41 0.00 0.00 54.97 55.49 1v99 s GLU 46 Cb -0.13 -3.21 0.02 0.00 -1.78 0.00 0.00 34.13 29.02 1v99 s GLU 46 CO 0.12 0.66 -0.10 -2.00 -0.49 0.00 0.00 175.26 173.46 1v99 s GLU 47 N -1.14 2.97 -0.05 1.61 2.12 -1.26 -1.34 118.70 121.62 1v99 s GLU 47 Ca 0.26 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.72 1v99 s GLU 47 Cb -0.18 -2.87 0.02 0.00 0.26 0.00 0.00 34.13 31.37 1v99 s GLU 47 CO 0.16 -0.31 -0.03 0.34 -0.54 0.00 0.00 175.26 174.88 1v99 s ASP 48 N 1.34 0.98 0.13 -1.70 2.15 0.92 -4.93 116.67 115.55 1v99 s ASP 48 Ca 0.02 -0.11 -0.30 0.00 0.43 0.00 0.00 52.55 52.60 1v99 s ASP 48 Cb -0.15 -0.41 -0.06 0.00 -0.30 0.00 0.00 42.92 41.99 1v99 s ASP 48 CO -0.07 -0.08 1.06 -0.75 -0.17 0.00 0.00 175.17 175.16 1v99 s LYS 49 N 1.11 4.60 0.34 4.34 2.20 -1.26 0.46 119.74 131.52 1v99 s LYS 49 Ca -0.08 1.62 0.04 0.00 -0.36 0.00 0.00 55.97 57.19 1v99 s LYS 49 Cb -0.14 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1v99 s LYS 49 CO -0.01 0.06 0.17 -1.21 -0.36 0.00 0.00 175.35 174.00 1v99 s GLU 50 N 0.06 1.71 -0.27 4.03 2.02 -0.26 -4.81 118.70 121.19 1v99 s GLU 50 Ca 0.50 -2.00 -0.01 0.00 0.02 0.00 0.00 54.97 53.49 1v99 s GLU 50 Cb -0.27 -0.16 0.04 0.00 0.10 0.00 0.00 34.13 33.84 1v99 s GLU 50 CO 0.32 -0.49 -0.06 0.08 0.02 0.00 0.00 175.26 175.13 1v99 s VAL 51 N -3.47 2.73 0.30 2.63 1.01 -0.10 -1.62 120.40 121.88 1v99 s VAL 51 Ca 0.34 -1.28 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 1v99 s VAL 51 Cb 0.04 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 1v99 s VAL 51 CO 0.19 0.06 0.75 -0.83 0.00 0.00 0.00 175.10 175.26 1v99 s GLY 52 N 1.25 2.43 -0.06 4.51 0.00 0.43 -0.54 107.32 115.34 1v99 s GLY 52 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1v99 s GLY 52 CO -0.04 0.37 -0.03 0.00 0.00 0.00 0.00 173.10 173.40 1v99 s ALA 53 N -1.85 0.74 -0.28 3.20 0.00 -0.01 -1.56 121.76 121.99 1v99 s ALA 53 Ca 0.51 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 1v99 s ALA 53 Cb -0.12 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1v99 s ALA 53 CO 0.18 -0.20 0.12 0.42 0.00 0.00 0.00 175.76 176.29 1v99 s ILE 54 N 1.33 4.57 0.00 0.00 1.01 0.10 -1.82 121.20 126.40 1v99 s ILE 54 Ca -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1v99 s ILE 54 Cb -0.13 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1v99 s ILE 54 CO -0.02 0.20 -0.02 -0.76 0.00 0.00 0.00 174.94 174.33 1v99 s LEU 55 N 1.63 3.40 -0.08 2.97 1.43 0.94 -0.64 118.68 128.32 1v99 s LEU 55 Ca 0.06 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1v99 s LEU 55 Cb -0.16 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1v99 s LEU 55 CO 0.06 0.28 -0.19 -0.54 0.23 0.00 0.00 176.35 176.19 1v99 s LYS 56 N -1.52 2.45 0.14 1.70 1.02 -1.26 -0.61 119.74 121.67 1v99 s LYS 56 Ca 0.19 -0.68 -0.05 0.00 0.02 0.00 0.00 55.97 55.45 1v99 s LYS 56 Cb -0.11 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1v99 s LYS 56 CO 0.09 0.12 0.28 -2.37 -0.92 0.00 0.00 175.35 172.55 1v99 n THR 57 N 3.64 0.00 -2.75 2.17 5.66 -1.03 -1.47 114.28 120.49 1v99 n THR 57 Ca -0.21 -0.35 -0.32 0.00 -3.05 0.00 0.00 64.05 60.12 1v99 n THR 57 Cb 0.52 0.35 -0.05 0.00 -1.55 0.00 0.00 70.33 69.61 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 -2.03 3.98 0.27 1.09 0.52 -1.26 -1.39 118.95 120.12 1v99 s ARG 58 Ca 0.06 0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 56.05 1v99 s ARG 58 Cb -0.02 -2.27 0.36 0.00 0.52 0.00 0.00 34.95 33.54 1v99 s ARG 58 CO 0.04 -0.08 1.89 0.93 0.02 0.00 0.00 175.30 178.11 1v99 h GLU 59 N 1.48 1.07 0.00 3.54 5.08 -1.93 -2.45 114.58 121.36 1v99 h GLU 59 Ca -0.48 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1v99 h GLU 59 Cb 1.18 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1v99 h GLU 59 CO 0.63 0.79 0.00 -0.40 -1.00 0.00 0.00 179.01 179.03 1v99 n ASP 60 N -4.34 0.00 -0.90 1.42 5.75 -1.26 -2.40 116.55 114.82 1v99 n ASP 60 Ca 0.08 0.30 0.12 0.00 -0.01 0.00 0.00 54.79 55.28 1v99 n ASP 60 Cb 0.11 -0.41 0.16 0.00 -1.03 0.00 0.00 41.12 39.95 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 -1.41 2.81 0.02 -2.12 4.77 -0.92 -4.63 117.00 115.52 1v99 n LEU 61 Ca 0.05 -0.94 -0.14 0.00 -0.03 0.00 0.00 56.01 54.95 1v99 n LEU 61 Cb 0.16 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1v99 n LEU 61 CO 0.14 0.47 0.55 -0.25 -1.33 0.00 0.00 177.39 176.96 1v99 h TRP 62 N 4.39 -1.38 -0.39 -1.77 -0.00 -1.56 0.16 115.95 115.40 1v99 h TRP 62 Ca 0.00 0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.97 1v99 h TRP 62 Cb 0.93 0.62 -0.03 0.00 -0.00 0.00 0.00 29.16 30.68 1v99 h TRP 62 CO 0.00 -0.52 0.20 0.93 -0.00 0.00 0.00 178.44 179.05 1v99 h GLU 63 N -0.58 0.40 -0.72 2.65 4.39 -1.84 0.19 114.58 119.07 1v99 h GLU 63 Ca 0.05 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1v99 h GLU 63 Cb 0.67 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1v99 h GLU 63 CO -0.38 0.26 0.19 1.49 -1.16 0.00 0.00 179.01 179.41 1v99 h GLU 64 N 0.41 1.14 -0.39 2.33 4.81 -1.82 -1.88 114.58 119.18 1v99 h GLU 64 Ca 0.17 -0.26 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1v99 h GLU 64 Cb 0.06 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1v99 h GLU 64 CO -0.11 0.99 -0.12 1.25 -0.73 0.00 0.00 179.01 180.28 1v99 h LEU 65 N 1.08 0.79 -0.57 1.64 5.85 -0.25 -1.62 115.31 122.24 1v99 h LEU 65 Ca 0.23 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1v99 h LEU 65 Cb 0.35 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1v99 h LEU 65 CO -0.00 0.99 0.33 0.50 -0.34 0.00 0.00 178.44 179.91 1v99 h LYS 66 N 0.59 0.79 -0.64 1.25 3.64 -0.45 -0.46 116.57 121.28 1v99 h LYS 66 Ca 0.10 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1v99 h LYS 66 Cb 0.66 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1v99 h LYS 66 CO 0.04 0.59 0.06 1.49 -2.27 0.00 0.00 179.45 179.36 1v99 h GLU 67 N 0.77 1.09 -0.37 1.90 4.81 -1.24 -2.38 114.58 119.16 1v99 h GLU 67 Ca 0.20 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 1v99 h GLU 67 Cb 0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1v99 h GLU 67 CO -0.04 1.02 -0.16 -0.09 -0.73 0.00 0.00 179.01 179.02 1v99 h ARG 68 N 1.01 0.68 -0.67 1.92 9.65 -0.93 -2.24 114.38 123.79 1v99 h ARG 68 Ca 0.19 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 1v99 h ARG 68 Cb 0.49 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1v99 h ARG 68 CO 0.02 0.80 0.15 0.82 2.80 0.00 0.00 179.97 184.56 1v99 h ILE 69 N 0.61 1.26 -0.81 1.20 2.04 -0.85 -2.12 117.51 118.84 1v99 h ILE 69 Ca 0.10 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.01 1v99 h ILE 69 Cb 0.61 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1v99 h ILE 69 CO 0.04 0.37 0.52 0.11 0.00 0.00 0.00 178.15 179.19 1v99 h LYS 70 N 1.01 1.01 0.00 2.37 1.57 -1.09 0.93 116.57 122.37 1v99 h LYS 70 Ca 0.21 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1v99 h LYS 70 Cb 0.38 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1v99 h LYS 70 CO 0.00 0.67 -0.19 0.93 -0.57 0.00 0.00 179.45 180.29 1v99 h GLU 71 N 1.04 0.00 0.00 3.15 5.08 -0.95 -3.28 114.58 119.61 1v99 h GLU 71 Ca 0.31 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.42 1v99 h GLU 71 Cb -0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1v99 h GLU 71 CO -0.10 0.19 -2.11 1.28 -1.00 0.00 0.00 179.01 177.27 1v99 n LEU 72 N -3.78 0.00 -4.75 1.33 4.77 -0.84 -5.02 117.00 108.71 1v99 n LEU 72 Ca -0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.55 1v99 n LEU 72 Cb 0.30 0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1v99 n LEU 72 CO 0.33 0.34 1.19 -2.28 -1.33 0.00 0.00 177.39 175.64 1v99 s HIS 73 N -2.61 2.78 -0.21 -1.77 2.46 0.27 -4.92 115.29 111.29 1v99 s HIS 73 Ca -0.08 0.91 0.29 0.00 0.47 0.00 0.00 55.06 56.65 1v99 s HIS 73 Cb 0.07 -4.00 1.03 0.00 -0.13 0.00 0.00 32.58 29.54 1v99 s HIS 73 CO 0.72 -3.27 1.83 -1.00 -2.47 0.00 0.00 174.74 170.56 1v99 h PRO 74 N 4.51 0.00 -6.50 2.88 0.13 -1.92 -3.44 132.00 127.67 1v99 h PRO 74 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 1v99 h PRO 74 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1v99 h PRO 74 CO 0.76 0.00 0.10 0.71 -0.23 0.00 0.00 178.00 179.34 1v99 s TYR 75 N -3.45 3.75 0.05 1.56 2.02 -1.26 -4.98 117.35 115.04 1v99 s TYR 75 Ca 0.04 1.43 -0.21 0.00 -0.37 0.00 0.00 57.07 57.96 1v99 s TYR 75 Cb 0.09 -2.64 -0.13 0.00 -0.40 0.00 0.00 41.96 38.88 1v99 s TYR 75 CO 0.54 0.43 1.45 0.22 -1.57 0.00 0.00 175.55 176.61 1v99 h ASP 76 N 3.85 0.28 -3.29 2.29 1.82 -1.98 -3.36 116.42 116.02 1v99 h ASP 76 Ca -0.48 -0.36 -0.62 0.00 -0.39 0.00 0.00 57.03 55.18 1v99 h ASP 76 Cb 1.20 -0.08 -0.41 0.00 0.68 0.00 0.00 39.33 40.72 1v99 h ASP 76 CO 0.65 0.57 -0.63 -0.69 -1.61 0.00 0.00 179.24 177.53 1v99 s VAL 77 N -4.78 2.50 0.64 2.25 1.01 -1.26 -5.10 120.40 115.66 1v99 s VAL 77 Ca -0.14 -3.85 -0.10 0.00 0.00 0.00 0.00 61.98 57.89 1v99 s VAL 77 Cb 0.05 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1v99 s VAL 77 CO 0.72 -0.98 1.03 -2.16 0.00 0.00 0.00 175.10 173.71 1v99 s PRO 78 N -0.99 3.22 -0.16 2.72 0.04 -1.26 -5.02 135.00 133.54 1v99 s PRO 78 Ca 0.24 0.52 -0.22 0.00 0.04 0.00 0.00 61.00 61.57 1v99 s PRO 78 Cb -0.09 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1v99 s PRO 78 CO -0.13 -0.75 0.68 0.00 0.04 0.00 0.00 177.00 176.84 1v99 s ALA 79 N -3.21 3.49 -0.48 8.56 0.00 -1.26 -4.98 121.76 123.89 1v99 s ALA 79 Ca 0.56 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1v99 s ALA 79 Cb -0.11 -3.00 0.14 0.00 0.00 0.00 0.00 23.12 20.15 1v99 s ALA 79 CO 0.52 -0.46 0.28 0.42 0.00 0.00 0.00 175.76 176.52 1v99 s ILE 80 N 1.67 1.55 -0.24 0.00 1.01 -1.26 -4.06 121.20 119.87 1v99 s ILE 80 Ca 0.32 -2.83 -0.10 0.00 0.00 0.00 0.00 60.65 58.05 1v99 s ILE 80 Cb -0.16 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1v99 s ILE 80 CO 0.12 -0.94 0.13 -0.63 0.00 0.00 0.00 174.94 173.63 1v99 s ILE 81 N 0.05 5.05 -0.21 2.92 1.01 -0.42 -4.94 121.20 124.66 1v99 s ILE 81 Ca 0.20 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.81 1v99 s ILE 81 Cb -0.19 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1v99 s ILE 81 CO -0.04 0.34 0.17 -0.60 0.00 0.00 0.00 174.94 174.81 1v99 s ARG 82 N 1.25 4.15 -0.17 2.79 3.52 -1.26 -0.60 118.95 128.62 1v99 s ARG 82 Ca 0.06 -0.18 -0.01 0.00 -0.13 0.00 0.00 55.73 55.47 1v99 s ARG 82 Cb -0.14 -3.48 0.05 0.00 -1.56 0.00 0.00 34.95 29.82 1v99 s ARG 82 CO 0.05 0.18 -0.04 0.42 -0.81 0.00 0.00 175.30 175.10 1v99 s ILE 83 N 0.71 1.04 0.37 4.11 1.01 -0.23 -5.00 121.20 123.21 1v99 s ILE 83 Ca 0.09 -0.65 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 1v99 s ILE 83 Cb -0.12 -1.27 -0.09 0.00 0.01 0.00 0.00 42.46 40.98 1v99 s ILE 83 CO 0.02 0.06 1.30 -1.81 0.00 0.00 0.00 174.94 174.51 1v99 s ASP 84 N 1.65 6.54 -0.20 3.58 1.11 -1.26 -1.19 116.67 126.90 1v99 s ASP 84 Ca -0.00 2.66 -0.18 0.00 0.18 0.00 0.00 52.55 55.21 1v99 s ASP 84 Cb -0.16 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.16 1v99 s ASP 84 CO -0.07 -0.69 0.50 -0.69 1.18 0.00 0.00 175.17 175.39 1v99 s VAL 85 N -1.21 5.12 0.23 -1.27 1.01 -0.75 -4.88 120.40 118.64 1v99 s VAL 85 Ca 0.53 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1v99 s VAL 85 Cb -0.39 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1v99 s VAL 85 CO 0.50 0.18 1.57 0.44 0.00 0.00 0.00 175.10 177.80 1v99 h ASP 86 N 7.48 0.44 -4.75 3.32 3.32 -1.94 -3.40 116.42 120.89 1v99 h ASP 86 Ca -0.34 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.51 1v99 h ASP 86 Cb 1.15 -0.12 -0.17 0.00 0.22 0.00 0.00 39.33 40.41 1v99 h ASP 86 CO 0.73 0.88 0.34 -0.62 -1.72 0.00 0.00 179.24 178.86 1v99 s ASP 87 N -6.90 -0.50 -0.01 6.45 3.68 -1.26 -5.07 116.67 113.06 1v99 s ASP 87 Ca -0.06 0.26 -0.21 0.00 2.13 0.00 0.00 52.55 54.68 1v99 s ASP 87 Cb 0.12 0.47 0.04 0.00 -1.45 0.00 0.00 42.92 42.10 1v99 s ASP 87 CO 0.81 -0.67 0.45 0.54 0.13 0.00 0.00 175.17 176.43 1v99 s VAL 88 N -2.43 0.04 0.38 1.11 0.11 -1.26 -5.10 120.40 113.25 1v99 s VAL 88 Ca -0.02 -0.32 -0.28 0.00 -2.93 0.00 0.00 61.98 58.43 1v99 s VAL 88 Cb -0.01 -0.82 -0.11 0.00 -1.53 0.00 0.00 36.38 33.92 1v99 s VAL 88 CO -0.03 -0.18 1.49 0.54 -3.33 0.00 0.00 175.10 173.59 1v99 s ASN 89 N -1.47 6.31 0.18 3.54 4.22 -1.26 -4.87 114.94 121.59 1v99 s ASN 89 Ca -0.11 3.05 -0.14 0.00 -2.14 0.00 0.00 52.86 53.53 1v99 s ASN 89 Cb -0.03 -2.67 0.14 0.00 1.28 0.00 0.00 41.25 39.98 1v99 s ASN 89 CO 0.04 -0.90 1.72 -0.33 -2.04 0.00 0.00 177.10 175.59 1v99 h GLU 90 N 2.96 0.19 -0.59 3.55 5.08 -2.00 -2.53 114.58 121.25 1v99 h GLU 90 Ca -0.51 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1v99 h GLU 90 Cb 1.24 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1v99 h GLU 90 CO 0.64 0.13 0.29 -0.44 -1.00 0.00 0.00 179.01 178.63 1v99 h ASP 91 N 0.20 0.73 -0.34 1.42 3.32 -1.99 -0.48 116.42 119.28 1v99 h ASP 91 Ca 0.22 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1v99 h ASP 91 Cb 0.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1v99 h ASP 91 CO -0.30 0.62 -0.11 0.22 -1.72 0.00 0.00 179.24 177.94 1v99 h TYR 92 N 0.82 0.76 -0.92 4.55 5.03 -1.89 -2.14 116.97 123.19 1v99 h TYR 92 Ca 0.21 -0.17 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1v99 h TYR 92 Cb 0.07 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.12 1v99 h TYR 92 CO 0.01 0.85 0.52 1.25 -1.32 0.00 0.00 178.16 179.47 1v99 h LEU 93 N 0.45 1.13 -0.71 2.82 5.85 -1.00 -0.03 115.31 123.82 1v99 h LEU 93 Ca 0.08 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1v99 h LEU 93 Cb 0.63 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1v99 h LEU 93 CO 0.04 0.89 0.34 0.11 -0.34 0.00 0.00 178.44 179.48 1v99 h LYS 94 N 1.28 1.03 -0.19 1.25 1.57 -0.97 -0.61 116.57 119.92 1v99 h LYS 94 Ca 0.32 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1v99 h LYS 94 Cb -0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1v99 h LYS 94 CO -0.06 0.81 0.06 2.35 -0.57 0.00 0.00 179.45 182.04 1v99 h TRP 95 N 1.00 0.31 -0.74 -1.35 7.01 -0.81 -1.06 115.95 120.32 1v99 h TRP 95 Ca 0.24 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.24 1v99 h TRP 95 Cb 0.12 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.05 1v99 h TRP 95 CO 0.01 0.40 0.46 1.25 -2.79 0.00 0.00 178.44 177.77 1v99 h LEU 96 N 0.14 0.76 -0.65 0.65 6.46 -0.70 -0.58 115.31 121.38 1v99 h LEU 96 Ca 0.06 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 1v99 h LEU 96 Cb 0.23 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1v99 h LEU 96 CO -0.00 0.52 0.01 0.40 -0.62 0.00 0.00 178.44 178.75 1v99 h ILE 97 N 0.90 1.26 -0.43 4.05 2.04 -0.97 -2.63 117.51 121.73 1v99 h ILE 97 Ca 0.30 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.92 1v99 h ILE 97 Cb 0.02 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1v99 h ILE 97 CO -0.11 0.41 -0.14 -0.33 0.00 0.00 0.00 178.15 177.98 1v99 h GLU 98 N 0.97 0.81 -0.00 2.37 5.08 -0.62 -3.09 114.58 120.10 1v99 h GLU 98 Ca 0.17 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1v99 h GLU 98 Cb 0.54 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1v99 h GLU 98 CO 0.03 0.91 -0.07 0.39 -1.00 0.00 0.00 179.01 179.26 1v99 n GLU 99 N -4.14 0.21 -4.01 2.33 -0.58 -0.28 -4.86 120.64 109.31 1v99 n GLU 99 Ca 0.01 -0.03 -0.28 0.00 -0.42 0.00 0.00 57.16 56.44 1v99 n GLU 99 Cb 0.39 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.71 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 -2.82 4.85 0.35 2.62 -4.23 -1.00 -4.81 115.64 110.61 1v99 s THR 100 Ca 0.19 -0.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.62 1v99 s THR 100 Cb 0.19 -3.43 -0.11 0.00 1.34 0.00 0.00 72.50 70.49 1v99 s THR 100 CO 0.52 -0.01 1.53 -1.59 -0.54 0.00 0.00 174.62 174.54 1v99 s LYS 101 N -2.88 4.10 0.00 3.99 -2.85 -0.04 -4.96 119.74 117.11 1v99 s LYS 101 Ca 0.32 2.60 0.00 0.00 -1.00 0.00 0.00 55.97 57.89 1v99 s LYS 101 Cb -0.11 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.68 1v99 s LYS 101 CO 0.25 -0.59 0.14 1.63 0.10 0.00 0.00 175.35 176.89