#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m79 s ASP 2 N 0.00 5.15 0.17 0.00 1.47 -1.26 -4.81 116.67 117.39 3m79 s ASP 2 Ca 0.00 1.01 -0.15 0.00 1.18 0.00 0.00 52.55 54.59 3m79 s ASP 2 Cb 0.00 -1.71 0.10 0.00 -0.34 0.00 0.00 42.92 40.97 3m79 s ASP 2 CO 0.00 -1.51 1.75 0.25 0.68 0.00 0.00 175.17 176.34 3m79 h LEU 3 N -0.77 0.15 -0.53 2.11 6.46 -1.95 -1.62 115.31 119.17 3m79 h LEU 3 Ca -0.45 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.42 3m79 h LEU 3 Cb 1.28 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.18 3m79 h LEU 3 CO 0.64 0.12 0.21 -0.08 -0.62 0.00 0.00 178.44 178.72 3m79 h GLU 4 N 0.31 0.40 -0.60 1.25 4.81 -1.99 -0.16 114.58 118.59 3m79 h GLU 4 Ca 0.19 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3m79 h GLU 4 Cb 0.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3m79 h GLU 4 CO -0.20 0.26 0.01 -0.44 -0.73 0.00 0.00 179.01 177.92 3m79 h ASP 5 N 0.41 1.03 -0.61 1.04 3.32 -1.77 -0.83 116.42 119.00 3m79 h ASP 5 Ca 0.25 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3m79 h ASP 5 Cb 0.25 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3m79 h ASP 5 CO -0.23 1.08 0.14 0.78 -1.72 0.00 0.00 179.24 179.28 3m79 h ASN 6 N 0.95 0.96 -0.55 6.45 2.35 -1.01 -1.93 115.58 122.80 3m79 h ASN 6 Ca 0.17 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3m79 h ASN 6 Cb 0.54 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3m79 h ASN 6 CO 0.03 0.94 0.12 0.24 -1.65 0.00 0.00 177.43 177.10 3m79 h MET 7 N 0.96 0.94 -0.41 0.81 2.86 -0.77 -1.46 114.93 117.87 3m79 h MET 7 Ca 0.20 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3m79 h MET 7 Cb 0.37 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3m79 h MET 7 CO 0.00 0.86 0.25 0.93 1.06 0.00 0.00 176.91 180.02 3m79 h GLU 8 N 0.89 0.50 -0.32 1.72 4.39 -0.84 -0.83 114.58 120.10 3m79 h GLU 8 Ca 0.19 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.73 3m79 h GLU 8 Cb 0.36 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3m79 h GLU 8 CO 0.00 0.33 -0.31 1.79 -1.16 0.00 0.00 179.01 179.66 3m79 h THR 9 N 0.52 1.28 -0.19 1.13 1.35 -1.18 0.12 112.91 115.93 3m79 h THR 9 Ca 0.16 -1.45 0.02 0.00 -0.55 0.00 0.00 66.41 64.59 3m79 h THR 9 Cb -0.02 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 3m79 h THR 9 CO -0.06 0.47 0.06 -0.07 -0.25 0.00 0.00 175.52 175.68 3m79 h LEU 10 N 0.58 0.07 -0.15 3.87 3.38 -1.11 -1.86 115.31 120.09 3m79 h LEU 10 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3m79 h LEU 10 Cb 0.82 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3m79 h LEU 10 CO 0.07 0.07 0.05 -1.13 0.09 0.00 0.00 178.44 177.59 3m79 h ASN 11 N 0.16 0.21 -0.49 -0.43 -1.24 -0.86 -1.34 115.58 111.58 3m79 h ASN 11 Ca 0.08 -0.19 0.06 0.00 0.71 0.00 0.00 56.30 56.96 3m79 h ASN 11 Cb 0.05 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 3m79 h ASN 11 CO -0.09 0.35 0.21 0.44 -1.29 0.00 0.00 177.43 177.05 3m79 h ASP 12 N 0.06 0.26 0.75 1.15 3.32 -0.77 -2.63 116.42 118.56 3m79 h ASP 12 Ca 0.05 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 3m79 h ASP 12 Cb 0.21 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3m79 h ASP 12 CO -0.00 0.18 -0.81 0.78 -1.72 0.00 0.00 179.24 177.67 3m79 h ASN 13 N 0.41 0.05 -0.56 6.45 4.21 -1.27 -2.34 115.58 122.52 3m79 h ASN 13 Ca 0.23 -0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.72 3m79 h ASN 13 Cb 0.19 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.34 3m79 h ASN 13 CO -0.20 0.83 0.34 0.25 -1.29 0.00 0.00 177.43 177.36 3m79 h LEU 14 N 0.02 0.55 -0.87 1.61 5.85 -1.09 -1.50 115.31 119.89 3m79 h LEU 14 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3m79 h LEU 14 Cb 1.42 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3m79 h LEU 14 CO 0.11 0.39 0.43 0.11 -0.34 0.00 0.00 178.44 179.13 3m79 h LYS 15 N 0.67 1.24 -0.47 1.25 1.57 -1.31 -1.85 116.57 117.67 3m79 h LYS 15 Ca 0.23 -0.18 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3m79 h LYS 15 Cb 0.02 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 3m79 h LYS 15 CO -0.10 0.94 0.24 0.28 -0.57 0.00 0.00 179.45 180.25 3m79 h VAL 16 N 1.23 0.97 -0.42 0.50 2.07 -1.05 -2.15 116.25 117.40 3m79 h VAL 16 Ca 0.30 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3m79 h VAL 16 Cb 0.10 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3m79 h VAL 16 CO -0.04 0.09 0.21 0.40 0.02 0.00 0.00 177.57 178.24 3m79 h ILE 17 N 0.48 1.18 -0.96 4.57 2.04 -0.92 -1.26 117.51 122.63 3m79 h ILE 17 Ca 0.20 -0.49 0.12 0.00 1.00 0.00 0.00 64.86 65.69 3m79 h ILE 17 Cb 0.10 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 3m79 h ILE 17 CO -0.14 0.19 0.61 -0.33 0.00 0.00 0.00 178.15 178.48 3m79 h GLU 18 N 0.54 0.89 -0.09 2.37 5.08 -1.07 -2.56 114.58 119.74 3m79 h GLU 18 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3m79 h GLU 18 Cb 0.11 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3m79 h GLU 18 CO -0.02 0.59 0.00 1.63 -1.00 0.00 0.00 179.01 180.21 3m79 n LYS 19 N -4.59 2.16 -2.25 2.33 5.02 -0.83 -5.00 118.16 114.99 3m79 n LYS 19 Ca 0.18 -1.70 -0.37 0.00 -2.02 0.00 0.00 58.31 54.40 3m79 n LYS 19 Cb 0.37 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 3m79 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m79 s ALA 20 N -1.91 2.97 -0.16 7.82 0.00 -0.50 -4.97 121.76 125.01 3m79 s ALA 20 Ca 0.32 0.93 0.15 0.00 0.00 0.00 0.00 51.96 53.36 3m79 s ALA 20 Cb 0.20 -3.38 -0.24 0.00 0.00 0.00 0.00 23.12 19.70 3m79 s ALA 20 CO 0.31 -0.66 0.22 -0.25 0.00 0.00 0.00 175.76 175.37 3m79 n ASP 21 N -0.51 0.43 -4.22 0.00 8.00 -1.26 -5.05 116.55 113.95 3m79 n ASP 21 Ca 0.07 0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 3m79 n ASP 21 Cb 0.48 0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 42.04 3m79 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3m79 s ASN 22 N -5.77 0.77 0.27 -2.24 2.20 -1.26 -5.06 114.94 103.85 3m79 s ASN 22 Ca -0.11 -1.24 -0.02 0.00 -0.94 0.00 0.00 52.86 50.54 3m79 s ASN 22 Cb 0.07 0.22 0.36 0.00 -2.00 0.00 0.00 41.25 39.89 3m79 s ASN 22 CO 0.81 -0.68 1.82 0.00 -2.94 0.00 0.00 177.10 176.11 3m79 h ALA 23 N 2.69 1.19 -0.86 3.54 0.00 -1.90 -2.92 119.26 121.00 3m79 h ALA 23 Ca -0.36 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.39 3m79 h ALA 23 Cb 1.21 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3m79 h ALA 23 CO 0.60 0.56 0.56 0.00 0.00 0.00 0.00 179.25 180.97 3m79 h ALA 24 N 1.32 1.14 -0.41 0.00 0.00 -1.97 0.17 119.26 119.51 3m79 h ALA 24 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3m79 h ALA 24 Cb 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3m79 h ALA 24 CO -0.01 0.39 0.09 1.96 0.00 0.00 0.00 179.25 181.69 3m79 h GLN 25 N 1.07 0.66 -0.28 0.00 4.20 -1.95 -2.01 115.11 116.81 3m79 h GLN 25 Ca 0.35 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3m79 h GLN 25 Cb 0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3m79 h GLN 25 CO -0.12 0.68 0.05 0.28 -0.67 0.00 0.00 178.83 179.06 3m79 h VAL 26 N 0.53 1.23 -0.39 -0.54 2.07 -1.30 -2.33 116.25 115.52 3m79 h VAL 26 Ca 0.13 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3m79 h VAL 26 Cb 0.32 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3m79 h VAL 26 CO 0.00 0.25 0.19 0.11 0.02 0.00 0.00 177.57 178.14 3m79 h LYS 27 N 0.28 0.38 -0.26 1.57 1.57 -0.62 -0.84 116.57 118.65 3m79 h LYS 27 Ca 0.09 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3m79 h LYS 27 Cb 0.32 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3m79 h LYS 27 CO 0.00 0.25 0.16 0.22 -0.57 0.00 0.00 179.45 179.51 3m79 h ASP 28 N 0.39 0.27 -0.43 0.86 1.82 -1.36 -1.59 116.42 116.39 3m79 h ASP 28 Ca 0.17 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 3m79 h ASP 28 Cb 0.08 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 3m79 h ASP 28 CO -0.12 0.19 0.18 0.00 -1.61 0.00 0.00 179.24 177.89 3m79 h ALA 29 N 1.11 0.55 -0.57 -0.78 0.00 -1.11 -2.05 119.26 116.41 3m79 h ALA 29 Ca 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3m79 h ALA 29 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3m79 h ALA 29 CO -0.04 0.14 0.18 -0.07 0.00 0.00 0.00 179.25 179.46 3m79 h LEU 30 N 0.55 0.79 -0.33 0.00 3.38 -1.07 -0.84 115.31 117.78 3m79 h LEU 30 Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3m79 h LEU 30 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3m79 h LEU 30 CO -0.01 0.75 0.18 0.74 0.09 0.00 0.00 178.44 180.18 3m79 h THR 31 N 0.83 1.14 -0.68 0.22 2.02 -1.04 -0.08 112.91 115.31 3m79 h THR 31 Ca 0.19 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3m79 h THR 31 Cb 0.24 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3m79 h THR 31 CO -0.01 0.14 0.37 0.11 0.37 0.00 0.00 175.52 176.50 3m79 h LYS 32 N 0.42 0.95 -0.58 6.66 1.57 -1.09 -2.26 116.57 122.23 3m79 h LYS 32 Ca 0.12 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3m79 h LYS 32 Cb 0.06 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3m79 h LYS 32 CO -0.02 0.71 0.37 0.52 -0.57 0.00 0.00 179.45 180.46 3m79 h MET 33 N 0.93 0.78 -0.60 3.15 2.86 -0.97 -1.81 114.93 119.27 3m79 h MET 33 Ca 0.24 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.85 3m79 h MET 33 Cb 0.04 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 3m79 h MET 33 CO -0.04 0.54 0.37 0.00 1.06 0.00 0.00 176.91 178.84 3m79 h ALA 34 N 1.20 0.78 -0.48 6.32 0.00 -0.74 -0.30 119.26 126.03 3m79 h ALA 34 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3m79 h ALA 34 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3m79 h ALA 34 CO -0.04 0.11 0.18 0.00 0.00 0.00 0.00 179.25 179.50 3m79 h ALA 35 N 1.26 0.62 -0.38 0.00 0.00 -1.24 -1.74 119.26 117.79 3m79 h ALA 35 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3m79 h ALA 35 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3m79 h ALA 35 CO -0.10 0.24 0.14 0.00 0.00 0.00 0.00 179.25 179.54 3m79 h ALA 36 N 1.03 0.49 -0.62 0.00 0.00 -1.00 -1.11 119.26 118.05 3m79 h ALA 36 Ca 0.16 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3m79 h ALA 36 Cb 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3m79 h ALA 36 CO -0.01 0.10 0.40 0.00 0.00 0.00 0.00 179.25 179.74 3m79 h ALA 37 N 0.99 0.79 -0.67 0.00 0.00 -1.03 -0.81 119.26 118.53 3m79 h ALA 37 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m79 h ALA 37 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3m79 h ALA 37 CO -0.01 0.19 0.40 0.00 0.00 0.00 0.00 179.25 179.83 3m79 h ALA 38 N 1.24 0.85 0.00 0.00 0.00 -1.13 -2.64 119.26 117.58 3m79 h ALA 38 Ca 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3m79 h ALA 38 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3m79 h ALA 38 CO -0.07 0.32 -0.49 0.22 0.00 0.00 0.00 179.25 179.24 3m79 h ASP 39 N 0.90 0.00 1.22 0.00 3.58 -0.90 -3.01 116.42 118.21 3m79 h ASP 39 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 3m79 h ASP 39 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.03 3m79 h ASP 39 CO -0.04 0.49 0.00 0.00 -2.88 0.00 0.00 179.24 176.80 3m79 n ALA 40 N -2.42 2.27 -0.34 -0.78 0.00 -0.34 -4.27 120.51 114.63 3m79 n ALA 40 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3m79 n ALA 40 Cb 0.52 -1.46 0.26 0.00 0.00 0.00 0.00 19.45 18.77 3m79 n ALA 40 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3m79 h TRP 41 N 0.00 0.99 -0.01 0.00 0.09 -1.36 -1.95 115.95 113.71 3m79 h TRP 41 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 58.89 59.01 3m79 h TRP 41 Cb 0.61 -0.30 0.00 0.00 0.08 0.00 0.00 29.16 29.55 3m79 h TRP 41 CO 0.00 0.29 -0.12 -1.13 0.09 0.00 0.00 178.44 177.57 3m79 n SER 42 N -4.76 1.01 -4.78 0.11 3.41 -1.26 -4.82 113.62 102.53 3m79 n SER 42 Ca 0.20 -1.05 -0.37 0.00 -0.26 0.00 0.00 58.87 57.39 3m79 n SER 42 Cb 0.45 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 3m79 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m79 s ALA 43 N -2.28 3.06 -0.30 7.33 0.00 -0.74 -5.04 121.76 123.80 3m79 s ALA 43 Ca 0.32 0.79 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 3m79 s ALA 43 Cb 0.20 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 3m79 s ALA 43 CO 0.43 -0.36 0.15 0.99 0.00 0.00 0.00 175.76 176.97 3m79 s THR 44 N -1.60 4.69 0.53 0.00 2.01 -1.26 -5.02 115.64 114.99 3m79 s THR 44 Ca 0.59 -0.27 -0.19 0.00 0.31 0.00 0.00 61.69 62.13 3m79 s THR 44 Cb -0.25 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 3m79 s THR 44 CO 0.31 0.14 1.09 -2.16 -0.69 0.00 0.00 174.62 173.31 3m79 s PRO 45 N 1.64 3.52 0.28 4.92 0.04 -1.26 -4.88 135.00 139.26 3m79 s PRO 45 Ca 0.05 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.60 3m79 s PRO 45 Cb -0.17 -2.04 0.66 0.00 0.04 0.00 0.00 34.50 32.99 3m79 s PRO 45 CO 0.07 -0.69 1.73 -1.35 0.04 0.00 0.00 177.00 176.79 3m79 h PRO 46 N 1.27 0.49 0.00 0.56 0.11 -1.99 0.03 132.00 132.48 3m79 h PRO 46 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3m79 h PRO 46 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3m79 h PRO 46 CO 0.58 0.33 0.00 1.63 -0.21 0.00 0.00 178.00 180.32 3m79 n LYS 47 N -4.96 0.14 -0.30 1.05 5.02 -1.26 -2.34 118.16 115.51 3m79 n LYS 47 Ca 0.20 0.36 0.08 0.00 -2.02 0.00 0.00 58.31 56.93 3m79 n LYS 47 Cb 0.57 -1.76 0.20 0.00 -0.02 0.00 0.00 35.03 34.02 3m79 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3m79 n LEU 48 N -2.02 3.32 -0.16 -0.35 4.77 -0.03 -4.72 117.00 117.81 3m79 n LEU 48 Ca 0.03 -2.72 0.08 0.00 -0.03 0.00 0.00 56.01 53.37 3m79 n LEU 48 Cb 0.22 -0.42 0.40 0.00 -2.33 0.00 0.00 43.42 41.29 3m79 n LEU 48 CO 0.18 0.68 1.21 -0.33 -1.33 0.00 0.00 177.39 177.80 3m79 h GLU 49 N 1.49 0.63 -0.00 3.23 5.08 -1.17 -1.85 114.58 121.99 3m79 h GLU 49 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3m79 h GLU 49 Cb 1.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3m79 h GLU 49 CO 0.12 0.42 -0.10 -0.40 -1.00 0.00 0.00 179.01 178.06 3m79 n ASP 50 N -4.49 0.38 -4.92 1.42 5.75 -1.26 -4.89 116.55 108.54 3m79 n ASP 50 Ca 0.11 -0.48 -0.29 0.00 -0.01 0.00 0.00 54.79 54.12 3m79 n ASP 50 Cb 0.29 -0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 3m79 n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3m79 s LYS 51 N -2.51 3.53 0.49 0.11 -0.14 -0.70 -5.09 119.74 115.44 3m79 s LYS 51 Ca 0.28 -0.29 -0.20 0.00 -1.36 0.00 0.00 55.97 54.40 3m79 s LYS 51 Cb 0.20 -2.86 -0.08 0.00 -1.68 0.00 0.00 37.83 33.40 3m79 s LYS 51 CO 0.48 0.44 1.05 0.45 -0.76 0.00 0.00 175.35 177.01 3m79 s SER 52 N -2.91 6.27 0.02 2.83 0.15 -1.26 -4.91 113.70 113.89 3m79 s SER 52 Ca 0.39 1.97 0.01 0.00 0.70 0.00 0.00 55.95 59.02 3m79 s SER 52 Cb -0.11 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 3m79 s SER 52 CO 0.28 -0.83 1.01 -2.65 1.20 0.00 0.00 173.24 172.25 3m79 n PRO 53 N -0.96 0.01 -0.03 5.44 -0.02 -1.26 -1.36 135.00 136.82 3m79 n PRO 53 Ca 0.09 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 3m79 n PRO 53 Cb 0.52 -1.56 0.09 0.00 -0.02 0.00 0.00 33.50 32.53 3m79 n PRO 53 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3m79 n ASP 54 N -1.52 2.57 -4.75 2.55 -0.08 -1.26 -4.58 116.55 109.48 3m79 n ASP 54 Ca -0.00 -1.76 -0.36 0.00 -1.51 0.00 0.00 54.79 51.15 3m79 n ASP 54 Cb 0.03 -0.03 0.04 0.00 2.34 0.00 0.00 41.12 43.49 3m79 n ASP 54 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3m79 s SER 55 N -1.43 5.18 0.45 1.67 1.04 -0.47 -4.83 113.70 115.31 3m79 s SER 55 Ca 0.22 2.44 0.22 0.00 0.48 0.00 0.00 55.95 59.31 3m79 s SER 55 Cb 0.15 -2.60 1.20 0.00 0.10 0.00 0.00 66.02 64.87 3m79 s SER 55 CO 0.22 -1.60 1.84 -0.65 0.98 0.00 0.00 173.24 174.03 3m79 h PRO 56 N 0.95 0.29 0.07 4.02 0.11 -1.95 -1.36 132.00 134.13 3m79 h PRO 56 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m79 h PRO 56 Cb 1.30 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3m79 h PRO 56 CO 0.55 0.19 -0.07 0.93 -0.21 0.00 0.00 178.00 179.39 3m79 h GLU 57 N 0.30 -0.15 -0.19 1.05 3.07 -1.92 -1.00 114.58 115.74 3m79 h GLU 57 Ca 0.50 0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 59.21 3m79 h GLU 57 Cb 1.42 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.36 3m79 h GLU 57 CO -0.16 -0.10 -0.53 0.52 -1.40 0.00 0.00 179.01 177.33 3m79 h MET 58 N -0.16 0.55 -0.40 2.33 2.86 -1.61 0.19 114.93 118.68 3m79 h MET 58 Ca 0.00 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 3m79 h MET 58 Cb 0.16 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3m79 h MET 58 CO -0.02 0.94 0.20 1.25 1.06 0.00 0.00 176.91 180.34 3m79 h HIS 59 N 0.42 0.57 -0.60 -0.22 -0.00 -1.28 -1.06 115.15 112.99 3m79 h HIS 59 Ca 0.01 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 3m79 h HIS 59 Cb 1.07 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.28 3m79 h HIS 59 CO 0.04 0.46 0.09 0.22 -0.00 0.00 0.00 177.93 178.74 3m79 h ASP 60 N 0.51 0.95 -0.09 3.26 3.58 -0.93 -0.21 116.42 123.50 3m79 h ASP 60 Ca 0.14 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.34 3m79 h ASP 60 Cb 0.10 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3m79 h ASP 60 CO -0.02 0.98 -0.04 0.15 -2.88 0.00 0.00 179.24 177.43 3m79 h PHE 61 N 0.89 -0.08 -0.41 0.28 3.57 -0.48 -2.68 116.94 118.03 3m79 h PHE 61 Ca 0.18 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3m79 h PHE 61 Cb 0.44 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3m79 h PHE 61 CO 0.03 -0.06 0.02 0.00 -2.23 0.00 0.00 178.31 176.07 3m79 h ARG 62 N -0.03 0.65 -0.58 1.11 3.08 -1.03 -2.91 114.38 114.68 3m79 h ARG 62 Ca 0.05 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 60.04 3m79 h ARG 62 Cb 0.10 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 3m79 h ARG 62 CO -0.10 0.66 0.19 1.25 -1.07 0.00 0.00 179.97 180.89 3m79 h HIS 63 N 0.62 0.32 -0.88 3.04 2.76 -0.71 -1.51 115.15 118.78 3m79 h HIS 63 Ca 0.13 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.46 3m79 h HIS 63 Cb 0.37 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.20 3m79 h HIS 63 CO 0.02 0.06 0.57 0.78 -1.30 0.00 0.00 177.93 178.06 3m79 h GLY 64 N 0.35 1.22 1.39 5.26 0.00 -1.27 -1.24 103.07 108.77 3m79 h GLY 64 Ca 0.29 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 3m79 h GLY 64 CO -0.32 0.12 -0.18 0.74 0.00 0.00 0.00 176.54 176.90 3m79 h PHE 65 N 0.74 0.80 -0.23 5.60 0.05 -1.34 -1.19 116.94 121.36 3m79 h PHE 65 Ca 0.43 -0.16 -0.10 0.00 3.82 0.00 0.00 57.97 61.96 3m79 h PHE 65 Cb 0.62 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 3m79 h PHE 65 CO -0.00 0.84 -0.27 -1.49 -0.18 0.00 0.00 178.31 177.21 3m79 h TRP 66 N 0.63 0.51 0.12 -0.55 -0.00 -0.74 0.42 115.95 116.35 3m79 h TRP 66 Ca 0.10 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 3m79 h TRP 66 Cb 0.66 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.70 3m79 h TRP 66 CO 0.03 0.68 -0.06 0.82 -0.00 0.00 0.00 178.44 179.92 3m79 h ILE 67 N 0.40 0.98 -0.62 1.49 2.04 -1.22 -2.10 117.51 118.47 3m79 h ILE 67 Ca 0.06 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3m79 h ILE 67 Cb 0.68 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3m79 h ILE 67 CO 0.05 0.10 0.37 0.25 0.00 0.00 0.00 178.15 178.92 3m79 h LEU 68 N -0.35 0.60 -0.52 1.44 5.85 -1.04 -1.47 115.31 119.81 3m79 h LEU 68 Ca -0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3m79 h LEU 68 Cb 0.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3m79 h LEU 68 CO 0.03 0.41 0.27 0.40 -0.34 0.00 0.00 178.44 179.21 3m79 h ILE 69 N 0.73 1.19 -0.62 4.05 2.04 -0.92 -0.64 117.51 123.32 3m79 h ILE 69 Ca 0.26 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3m79 h ILE 69 Cb 0.05 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3m79 h ILE 69 CO -0.12 0.20 0.37 1.23 0.00 0.00 0.00 178.15 179.83 3m79 h GLY 70 N 0.69 0.90 1.07 5.37 0.00 -1.12 -1.43 103.07 108.56 3m79 h GLY 70 Ca 0.18 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 3m79 h GLY 70 CO -0.03 0.21 0.01 1.46 0.00 0.00 0.00 176.54 178.19 3m79 h GLN 71 N 0.71 1.05 -0.40 4.80 4.20 -0.91 -2.25 115.11 122.30 3m79 h GLN 71 Ca 0.26 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3m79 h GLN 71 Cb 0.08 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3m79 h GLN 71 CO -0.13 1.02 0.15 0.82 -0.67 0.00 0.00 178.83 180.02 3m79 h ILE 72 N 0.95 1.20 -0.37 2.54 2.04 -0.92 -1.55 117.51 121.40 3m79 h ILE 72 Ca 0.17 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.47 3m79 h ILE 72 Cb 0.54 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 3m79 h ILE 72 CO 0.03 0.23 -0.18 -0.74 0.00 0.00 0.00 178.15 177.49 3m79 h HIS 73 N 0.50 -0.45 -0.36 1.37 2.76 -1.17 0.00 115.15 117.81 3m79 h HIS 73 Ca 0.13 0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 3m79 h HIS 73 Cb 0.21 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 3m79 h HIS 73 CO 0.00 -0.26 -0.02 0.22 -1.30 0.00 0.00 177.93 176.57 3m79 h ASP 74 N -0.12 0.63 -0.90 3.26 3.58 -1.28 -2.61 116.42 118.98 3m79 h ASP 74 Ca 0.18 -0.32 0.07 0.00 0.42 0.00 0.00 57.03 57.39 3m79 h ASP 74 Cb 0.40 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.22 3m79 h ASP 74 CO -0.45 0.80 0.58 0.00 -2.88 0.00 0.00 179.24 177.30 3m79 h ALA 75 N 0.85 1.55 -0.48 -0.78 0.00 -1.03 -2.25 119.26 117.12 3m79 h ALA 75 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3m79 h ALA 75 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3m79 h ALA 75 CO 0.02 0.30 -0.10 1.25 0.00 0.00 0.00 179.25 180.72 3m79 h LEU 76 N 0.98 0.88 -0.17 0.00 5.85 -0.78 -1.32 115.31 120.75 3m79 h LEU 76 Ca 0.40 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3m79 h LEU 76 Cb 0.27 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3m79 h LEU 76 CO -0.16 1.00 -0.12 0.45 -0.34 0.00 0.00 178.44 179.28 3m79 h HIS 77 N 0.80 -0.29 -0.69 1.25 3.86 -1.05 0.98 115.15 120.01 3m79 h HIS 77 Ca 0.13 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 3m79 h HIS 77 Cb 0.62 0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.19 3m79 h HIS 77 CO 0.04 -0.18 0.39 -0.07 0.86 0.00 0.00 177.93 178.97 3m79 h LEU 78 N -0.12 0.59 -0.70 2.43 3.38 -1.20 -1.00 115.31 118.69 3m79 h LEU 78 Ca 0.10 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3m79 h LEU 78 Cb 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3m79 h LEU 78 CO -0.25 0.39 0.43 0.00 0.09 0.00 0.00 178.44 179.10 3m79 h ALA 79 N 1.35 0.89 -0.24 1.53 0.00 -0.97 -1.32 119.26 120.49 3m79 h ALA 79 Ca 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3m79 h ALA 79 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3m79 h ALA 79 CO -0.17 0.35 0.10 -0.91 0.00 0.00 0.00 179.25 178.62 3m79 h ASN 80 N 0.95 0.30 0.39 0.00 2.35 0.04 -0.77 115.58 118.84 3m79 h ASN 80 Ca 0.25 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3m79 h ASN 80 Cb -0.05 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3m79 h ASN 80 CO -0.05 0.27 0.00 -0.62 -1.65 0.00 0.00 177.43 175.38 3m79 n GLU 81 N -4.44 0.45 -1.00 0.81 1.02 -0.46 -4.89 120.64 112.12 3m79 n GLU 81 Ca 0.01 0.04 -0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3m79 n GLU 81 Cb 0.12 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3m79 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m79 n GLY 82 N 0.84 0.47 3.33 0.62 0.00 -0.30 -4.97 105.19 105.19 3m79 n GLY 82 Ca 0.14 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3m79 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m79 n LYS 83 N -2.85 3.28 0.20 1.61 5.02 -0.52 -4.84 118.16 120.05 3m79 n LYS 83 Ca -0.00 -3.45 -0.15 0.00 -2.02 0.00 0.00 58.31 52.69 3m79 n LYS 83 Cb 0.02 -3.21 -0.07 0.00 -0.02 0.00 0.00 35.03 31.75 3m79 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3m79 h VAL 84 N 4.75 0.29 -0.61 -0.18 2.07 -1.89 -0.01 116.25 120.68 3m79 h VAL 84 Ca 0.41 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.96 3m79 h VAL 84 Cb 0.81 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3m79 h VAL 84 CO 1.45 0.00 0.36 0.11 0.02 0.00 0.00 177.57 179.52 3m79 h LYS 85 N -0.68 0.68 -0.60 1.57 1.79 -1.97 0.11 116.57 117.47 3m79 h LYS 85 Ca -0.01 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.33 3m79 h LYS 85 Cb 0.63 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 3m79 h LYS 85 CO -0.09 0.45 0.03 0.93 -1.08 0.00 0.00 179.45 179.68 3m79 h GLU 86 N 0.70 1.03 -0.44 3.15 5.08 -1.92 0.01 114.58 122.20 3m79 h GLU 86 Ca 0.25 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3m79 h GLU 86 Cb 0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3m79 h GLU 86 CO -0.12 0.99 -0.20 0.00 -1.00 0.00 0.00 179.01 178.68 3m79 h ALA 87 N 1.07 0.61 -0.75 3.43 0.00 -0.49 -0.30 119.26 122.83 3m79 h ALA 87 Ca 0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3m79 h ALA 87 Cb 0.51 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3m79 h ALA 87 CO 0.02 0.58 0.47 1.96 0.00 0.00 0.00 179.25 182.28 3m79 h GLN 88 N 0.74 1.01 -0.53 0.00 4.20 -0.63 0.05 115.11 119.95 3m79 h GLN 88 Ca 0.10 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3m79 h GLN 88 Cb 0.76 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 3m79 h GLN 88 CO 0.06 0.70 0.32 0.00 -0.67 0.00 0.00 178.83 179.24 3m79 h ALA 89 N 1.25 0.68 -0.68 3.87 0.00 -0.79 -0.77 119.26 122.82 3m79 h ALA 89 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3m79 h ALA 89 Cb -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3m79 h ALA 89 CO -0.05 0.16 0.40 0.00 0.00 0.00 0.00 179.25 179.76 3m79 h ALA 90 N 1.16 0.87 -0.70 0.00 0.00 -0.68 -1.59 119.26 118.31 3m79 h ALA 90 Ca 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3m79 h ALA 90 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3m79 h ALA 90 CO -0.04 0.35 0.30 0.00 0.00 0.00 0.00 179.25 179.87 3m79 h ALA 91 N 1.20 1.22 -0.79 0.00 0.00 -0.75 -2.09 119.26 118.06 3m79 h ALA 91 Ca 0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3m79 h ALA 91 Cb -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3m79 h ALA 91 CO -0.04 0.58 0.34 1.49 0.00 0.00 0.00 179.25 181.61 3m79 h GLU 92 N 0.99 1.16 0.00 0.00 4.57 -0.75 -2.25 114.58 118.30 3m79 h GLU 92 Ca 0.24 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3m79 h GLU 92 Cb 0.15 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3m79 h GLU 92 CO -0.03 0.92 -0.04 1.96 -1.18 0.00 0.00 179.01 180.65 3m79 h GLN 93 N 1.14 0.00 -0.70 1.92 4.20 -0.80 -2.36 115.11 118.51 3m79 h GLN 93 Ca 0.27 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.01 3m79 h GLN 93 Cb 0.18 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 3m79 h GLN 93 CO -0.03 0.04 0.46 1.25 -0.67 0.00 0.00 178.83 179.88 3m79 h LEU 94 N 0.00 0.74 -1.44 1.46 5.85 -0.76 -2.89 115.31 118.27 3m79 h LEU 94 Ca -0.00 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.84 3m79 h LEU 94 Cb 0.35 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3m79 h LEU 94 CO 0.00 0.51 0.52 0.11 -0.34 0.00 0.00 178.44 179.25 3m79 h LYS 95 N 0.86 0.57 -0.84 1.25 1.57 -1.47 -0.52 116.57 117.99 3m79 h LYS 95 Ca 0.28 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.12 3m79 h LYS 95 Cb 0.04 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 3m79 h LYS 95 CO -0.08 0.37 0.48 0.00 -0.57 0.00 0.00 179.45 179.66 3m79 h THR 97 N 0.80 1.36 -0.25 0.00 2.02 -1.27 -1.67 112.91 113.89 3m79 h THR 97 Ca 0.40 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.40 3m79 h THR 97 Cb 0.38 1.95 -0.08 0.00 -1.74 0.00 0.00 68.15 68.66 3m79 h THR 97 CO -0.25 0.35 -0.44 0.00 0.37 0.00 0.00 175.52 175.55 3m79 h ASN 99 N -0.44 0.86 -0.62 0.00 -0.26 -0.77 -2.04 115.58 112.32 3m79 h ASN 99 Ca 0.09 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.65 3m79 h ASN 99 Cb 0.62 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 3m79 h ASN 99 CO -0.48 0.77 0.09 0.00 -1.06 0.00 0.00 177.43 176.75 3m79 h ALA 100 N 1.36 0.82 -0.17 -0.83 0.00 -1.10 -1.43 119.26 117.91 3m79 h ALA 100 Ca 0.22 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3m79 h ALA 100 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3m79 h ALA 100 CO -0.02 0.58 -0.46 0.00 0.00 0.00 0.00 179.25 179.35 3m79 h HIS 102 N 0.27 0.80 -0.58 0.00 -0.00 -1.32 0.14 115.15 114.46 3m79 h HIS 102 Ca -0.01 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 3m79 h HIS 102 Cb 1.08 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 28.19 3m79 h HIS 102 CO 0.10 0.46 0.38 1.96 -0.00 0.00 0.00 177.93 180.83 3m79 h GLN 103 N 0.84 0.56 0.09 2.45 1.08 -1.30 -0.92 115.11 117.92 3m79 h GLN 103 Ca 0.27 -0.03 -0.35 0.00 -1.45 0.00 0.00 58.65 57.08 3m79 h GLN 103 Cb 0.00 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 3m79 h GLN 103 CO -0.10 0.37 -1.95 1.17 -0.95 0.00 0.00 178.83 177.37 3m79 n LYS 104 N -4.47 0.73 0.00 1.46 4.81 -0.97 -4.74 118.16 114.97 3m79 n LYS 104 Ca 0.08 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3m79 n LYS 104 Cb 0.21 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.54 3m79 n LYS 104 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3m79 n TYR 105 N -3.37 0.00 1.60 5.64 4.02 0.43 -5.12 117.16 120.36 3m79 n TYR 105 Ca -0.29 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.74 3m79 n TYR 105 Cb 1.05 0.00 0.61 0.00 -0.02 0.00 0.00 39.34 40.98 3m79 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72