#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 4.80 0.15 0.00 1.47 -1.26 -4.82 116.67 117.01 3m79 s ASP 2 Ca 0.00 0.98 -0.20 0.00 1.18 0.00 0.00 52.55 54.51 3m79 s ASP 2 Cb 0.00 -1.61 0.04 0.00 -0.34 0.00 0.00 42.92 41.00 3m79 s ASP 2 CO 0.00 -1.74 1.66 0.25 0.68 0.00 0.00 175.17 176.02 3m79 h LEU 3 N -0.94 -0.47 -0.68 2.11 6.46 -1.95 -1.95 115.31 117.88 3m79 h LEU 3 Ca -0.46 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.48 3m79 h LEU 3 Cb 1.29 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 41.42 3m79 h LEU 3 CO 0.64 -0.18 0.36 -0.33 -0.62 0.00 0.00 178.44 178.32 3m79 h GLU 4 N -0.11 0.63 -0.54 1.25 5.08 -1.99 -0.27 114.58 118.64 3m79 h GLU 4 Ca 0.14 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3m79 h GLU 4 Cb 0.33 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3m79 h GLU 4 CO -0.34 0.42 0.19 -0.44 -1.00 0.00 0.00 179.01 177.84 3m79 h ASP 5 N 0.65 0.77 -0.56 1.42 5.19 -1.82 -1.15 116.42 120.92 3m79 h ASP 5 Ca 0.32 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.48 3m79 h ASP 5 Cb 0.25 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 3m79 h ASP 5 CO -0.21 0.75 0.15 0.78 -3.12 0.00 0.00 179.24 177.59 3m79 h ASN 6 N 0.74 0.86 -0.56 6.45 2.35 -0.85 -1.71 115.58 122.86 3m79 h ASN 6 Ca 0.18 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3m79 h ASN 6 Cb 0.24 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3m79 h ASN 6 CO -0.01 0.83 0.00 0.24 -1.65 0.00 0.00 177.43 176.85 3m79 h MET 7 N 0.89 1.02 -0.45 0.81 2.86 -0.84 -1.25 114.93 117.96 3m79 h MET 7 Ca 0.19 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3m79 h MET 7 Cb 0.31 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3m79 h MET 7 CO -0.00 0.99 0.25 1.49 1.06 0.00 0.00 176.91 180.70 3m79 h GLU 8 N 0.93 0.63 -0.16 1.72 4.81 -0.89 -0.73 114.58 120.89 3m79 h GLU 8 Ca 0.17 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 3m79 h GLU 8 Cb 0.54 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3m79 h GLU 8 CO 0.03 0.50 -0.38 0.00 -0.73 0.00 0.00 179.01 178.43 3m79 h THR 9 N 0.59 1.30 -0.02 0.32 1.03 -1.17 0.11 112.91 115.06 3m79 h THR 9 Ca 0.16 -1.48 0.01 0.00 -0.01 0.00 0.00 66.41 65.09 3m79 h THR 9 Cb 0.05 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.72 3m79 h THR 9 CO -0.03 0.45 -0.04 -0.07 -0.01 0.00 0.00 175.52 175.83 3m79 h LEU 10 N 0.30 -0.12 -0.15 0.00 3.38 -1.06 -1.98 115.31 115.68 3m79 h LEU 10 Ca 0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3m79 h LEU 10 Cb 0.81 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3m79 h LEU 10 CO 0.06 -0.06 0.02 -1.13 0.09 0.00 0.00 178.44 177.42 3m79 h ASN 11 N -0.06 0.24 -0.39 -0.43 -1.24 -0.85 -1.29 115.58 111.55 3m79 h ASN 11 Ca 0.03 -0.27 0.08 0.00 0.71 0.00 0.00 56.30 56.84 3m79 h ASN 11 Cb 0.10 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.01 3m79 h ASN 11 CO -0.06 0.45 -0.08 0.44 -1.29 0.00 0.00 177.43 176.89 3m79 h ASP 12 N 0.02 -0.32 0.87 1.15 5.19 -0.82 -2.56 116.42 119.95 3m79 h ASP 12 Ca 0.04 0.11 -0.15 0.00 -0.62 0.00 0.00 57.03 56.41 3m79 h ASP 12 Cb 0.31 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 3m79 h ASP 12 CO 0.00 -0.11 -0.73 0.78 -3.12 0.00 0.00 179.24 176.07 3m79 h ASN 13 N 0.02 0.00 -0.83 6.45 4.21 -1.28 -2.22 115.58 121.93 3m79 h ASN 13 Ca 0.19 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 3m79 h ASN 13 Cb 0.28 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.44 3m79 h ASN 13 CO -0.38 0.73 0.47 0.25 -1.29 0.00 0.00 177.43 177.20 3m79 h LEU 14 N 0.00 1.03 -0.69 1.61 5.85 -1.10 -1.53 115.31 120.48 3m79 h LEU 14 Ca -0.01 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3m79 h LEU 14 Cb 1.36 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3m79 h LEU 14 CO 0.09 0.82 0.02 0.11 -0.34 0.00 0.00 178.44 179.14 3m79 h LYS 15 N 1.15 1.03 -0.56 1.25 1.57 -1.23 -2.16 116.57 117.62 3m79 h LYS 15 Ca 0.29 -0.31 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3m79 h LYS 15 Cb 0.01 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 3m79 h LYS 15 CO -0.05 1.00 0.28 0.28 -0.57 0.00 0.00 179.45 180.39 3m79 h VAL 16 N 0.95 0.93 -0.36 0.50 2.07 -1.07 -2.15 116.25 117.12 3m79 h VAL 16 Ca 0.17 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3m79 h VAL 16 Cb 0.53 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3m79 h VAL 16 CO 0.03 0.10 0.19 0.40 0.02 0.00 0.00 177.57 178.30 3m79 h ILE 17 N 0.53 1.15 -0.49 4.57 2.04 -0.99 -1.27 117.51 123.05 3m79 h ILE 17 Ca 0.25 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3m79 h ILE 17 Cb 0.19 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3m79 h ILE 17 CO -0.19 0.16 0.33 -0.33 0.00 0.00 0.00 178.15 178.12 3m79 h GLU 18 N 0.45 0.57 -0.09 2.37 5.08 -1.09 -2.55 114.58 119.31 3m79 h GLU 18 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3m79 h GLU 18 Cb 0.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3m79 h GLU 18 CO -0.02 0.38 0.00 1.63 -1.00 0.00 0.00 179.01 180.00 3m79 n LYS 19 N -4.47 2.18 -2.26 2.33 5.02 -0.83 -5.01 118.16 115.12 3m79 n LYS 19 Ca 0.05 -1.72 -0.37 0.00 -2.02 0.00 0.00 58.31 54.25 3m79 n LYS 19 Cb 0.12 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 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 2.99 -0.06 7.82 0.00 -0.50 -4.97 121.76 125.12 3m79 s ALA 20 Ca 0.32 0.94 0.17 0.00 0.00 0.00 0.00 51.96 53.39 3m79 s ALA 20 Cb 0.20 -3.38 -0.25 0.00 0.00 0.00 0.00 23.12 19.69 3m79 s ALA 20 CO 0.31 -0.65 0.30 -0.25 0.00 0.00 0.00 175.76 175.47 3m79 n ASP 21 N -0.44 1.02 -4.19 0.00 8.00 -1.26 -5.05 116.55 114.62 3m79 n ASP 21 Ca 0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 3m79 n ASP 21 Cb 0.48 1.58 -0.10 0.00 -0.02 0.00 0.00 41.12 43.06 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 -4.24 1.02 0.31 -2.24 2.20 -1.26 -5.06 114.94 105.67 3m79 s ASN 22 Ca -0.07 -1.10 0.01 0.00 -0.94 0.00 0.00 52.86 50.76 3m79 s ASN 22 Cb 0.10 0.14 0.50 0.00 -2.00 0.00 0.00 41.25 39.99 3m79 s ASN 22 CO 0.71 -0.55 1.88 0.00 -2.94 0.00 0.00 177.10 176.19 3m79 h ALA 23 N 2.85 1.32 -0.82 3.54 0.00 -1.91 -2.90 119.26 121.35 3m79 h ALA 23 Ca -0.36 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.42 3m79 h ALA 23 Cb 1.18 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3m79 h ALA 23 CO 0.63 0.49 0.53 0.00 0.00 0.00 0.00 179.25 180.90 3m79 h ALA 24 N 1.44 1.09 -0.53 0.00 0.00 -1.97 0.12 119.26 119.40 3m79 h ALA 24 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3m79 h ALA 24 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3m79 h ALA 24 CO -0.01 0.35 0.09 1.96 0.00 0.00 0.00 179.25 181.64 3m79 h GLN 25 N 1.02 0.88 -0.33 0.00 4.20 -1.95 -1.89 115.11 117.06 3m79 h GLN 25 Ca 0.33 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3m79 h GLN 25 Cb 0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3m79 h GLN 25 CO -0.12 0.86 0.01 0.28 -0.67 0.00 0.00 178.83 179.19 3m79 h VAL 26 N 0.77 1.25 -0.17 -0.54 2.07 -1.33 -2.16 116.25 116.14 3m79 h VAL 26 Ca 0.16 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.78 3m79 h VAL 26 Cb 0.40 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3m79 h VAL 26 CO 0.01 0.31 -0.00 0.50 0.02 0.00 0.00 177.57 178.40 3m79 h LYS 27 N 0.38 0.05 -0.50 1.57 3.64 -0.73 -0.38 116.57 120.60 3m79 h LYS 27 Ca 0.09 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3m79 h LYS 27 Cb 0.43 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3m79 h LYS 27 CO 0.01 0.03 0.27 -0.44 -2.27 0.00 0.00 179.45 177.05 3m79 h ASP 28 N 0.05 0.63 -0.53 4.20 5.19 -1.34 -1.65 116.42 122.98 3m79 h ASP 28 Ca 0.08 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 3m79 h ASP 28 Cb 0.10 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 3m79 h ASP 28 CO -0.14 0.55 0.15 0.00 -3.12 0.00 0.00 179.24 176.68 3m79 h ALA 29 N 1.11 0.69 -0.48 3.45 0.00 -1.12 -2.33 119.26 120.58 3m79 h ALA 29 Ca 0.17 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3m79 h ALA 29 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m79 h ALA 29 CO -0.03 0.36 -0.03 -0.07 0.00 0.00 0.00 179.25 179.48 3m79 h LEU 30 N 0.73 0.79 -0.52 0.00 3.38 -0.95 -1.17 115.31 117.57 3m79 h LEU 30 Ca 0.17 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3m79 h LEU 30 Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3m79 h LEU 30 CO -0.00 0.88 0.34 0.74 0.09 0.00 0.00 178.44 180.48 3m79 h THR 31 N 0.76 1.12 -0.49 0.22 2.02 -1.17 -0.03 112.91 115.33 3m79 h THR 31 Ca 0.14 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3m79 h THR 31 Cb 0.50 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3m79 h THR 31 CO 0.03 0.13 0.19 0.11 0.37 0.00 0.00 175.52 176.34 3m79 h LYS 32 N 0.69 0.74 -0.75 6.66 1.57 -1.11 -2.50 116.57 121.88 3m79 h LYS 32 Ca 0.19 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3m79 h LYS 32 Cb -0.06 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 3m79 h LYS 32 CO -0.05 0.67 0.49 0.52 -0.57 0.00 0.00 179.45 180.50 3m79 h MET 33 N 0.66 1.00 -0.66 3.15 2.86 -0.95 -1.71 114.93 119.27 3m79 h MET 33 Ca 0.16 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 3m79 h MET 33 Cb 0.20 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 3m79 h MET 33 CO -0.01 0.67 0.39 0.00 1.06 0.00 0.00 176.91 179.03 3m79 h ALA 34 N 1.27 0.88 -0.39 6.32 0.00 -0.82 0.43 119.26 126.94 3m79 h ALA 34 Ca 0.27 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3m79 h ALA 34 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3m79 h ALA 34 CO -0.06 0.12 0.08 0.00 0.00 0.00 0.00 179.25 179.39 3m79 h ALA 35 N 1.31 0.52 -0.60 0.00 0.00 -1.19 -1.96 119.26 117.35 3m79 h ALA 35 Ca 0.28 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3m79 h ALA 35 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3m79 h ALA 35 CO -0.14 0.21 0.19 0.00 0.00 0.00 0.00 179.25 179.51 3m79 h ALA 36 N 0.93 0.78 -0.63 0.00 0.00 -0.94 -1.14 119.26 118.27 3m79 h ALA 36 Ca 0.12 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3m79 h ALA 36 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3m79 h ALA 36 CO 0.00 0.45 0.11 0.00 0.00 0.00 0.00 179.25 179.81 3m79 h ALA 37 N 1.06 0.83 -0.51 0.00 0.00 -0.90 -1.49 119.26 118.26 3m79 h ALA 37 Ca 0.19 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3m79 h ALA 37 Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3m79 h ALA 37 CO -0.01 0.58 -0.11 0.00 0.00 0.00 0.00 179.25 179.72 3m79 h ALA 38 N 1.03 0.85 -0.00 0.00 0.00 -1.17 -2.83 119.26 117.14 3m79 h ALA 38 Ca 0.19 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3m79 h ALA 38 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3m79 h ALA 38 CO 0.01 0.65 -0.40 0.22 0.00 0.00 0.00 179.25 179.73 3m79 h ASP 39 N 0.84 0.00 1.07 0.00 3.58 -1.05 -2.83 116.42 118.04 3m79 h ASP 39 Ca 0.13 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3m79 h ASP 39 Cb 0.64 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 3m79 h ASP 39 CO 0.04 0.41 0.00 0.00 -2.88 0.00 0.00 179.24 176.81 3m79 n ALA 40 N -2.46 2.15 -0.28 -0.78 0.00 -0.57 -4.26 120.51 114.30 3m79 n ALA 40 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.39 3m79 n ALA 40 Cb 0.43 -1.43 0.09 0.00 0.00 0.00 0.00 19.45 18.54 3m79 n ALA 40 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3m79 h TRP 41 N 0.00 -0.50 -0.16 0.00 2.91 -1.35 -1.98 115.95 114.87 3m79 h TRP 41 Ca 0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3m79 h TRP 41 Cb 0.54 0.35 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 3m79 h TRP 41 CO 0.00 -0.35 0.00 -1.13 -1.03 0.00 0.00 178.44 175.93 3m79 n SER 42 N -5.52 2.15 -4.79 2.65 3.41 -1.26 -4.83 113.62 105.44 3m79 n SER 42 Ca 0.11 -1.75 -0.35 0.00 -0.26 0.00 0.00 58.87 56.62 3m79 n SER 42 Cb 0.41 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.81 2.88 -0.26 7.33 0.00 -0.75 -5.04 121.76 124.11 3m79 s ALA 43 Ca 0.34 0.72 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 3m79 s ALA 43 Cb 0.20 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 3m79 s ALA 43 CO 0.29 -0.44 0.05 0.99 0.00 0.00 0.00 175.76 176.65 3m79 s THR 44 N -1.82 3.95 0.48 0.00 2.01 -1.26 -5.01 115.64 113.99 3m79 s THR 44 Ca 0.66 -0.45 -0.21 0.00 0.31 0.00 0.00 61.69 62.00 3m79 s THR 44 Cb -0.21 -2.91 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 3m79 s THR 44 CO 0.25 0.26 1.10 -2.16 -0.69 0.00 0.00 174.62 173.37 3m79 s PRO 45 N 1.54 3.71 0.30 4.92 0.04 -1.26 -4.88 135.00 139.37 3m79 s PRO 45 Ca 0.05 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.70 3m79 s PRO 45 Cb -0.16 -2.21 0.80 0.00 0.04 0.00 0.00 34.50 32.98 3m79 s PRO 45 CO 0.01 -0.54 1.68 -1.35 0.04 0.00 0.00 177.00 176.85 3m79 h PRO 46 N 1.71 0.36 0.00 0.56 0.11 -1.99 0.41 132.00 133.16 3m79 h PRO 46 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m79 h PRO 46 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3m79 h PRO 46 CO 0.59 0.24 0.00 1.63 -0.21 0.00 0.00 178.00 180.25 3m79 n LYS 47 N -5.06 0.15 -0.23 1.05 5.02 -1.26 -2.56 118.16 115.27 3m79 n LYS 47 Ca 0.24 0.34 0.07 0.00 -2.02 0.00 0.00 58.31 56.95 3m79 n LYS 47 Cb 0.73 -1.76 0.17 0.00 -0.02 0.00 0.00 35.03 34.14 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 -2.03 3.02 0.12 -0.35 4.77 0.11 -4.73 117.00 117.89 3m79 n LEU 48 Ca 0.03 -2.63 0.08 0.00 -0.03 0.00 0.00 56.01 53.45 3m79 n LEU 48 Cb 0.24 -0.36 0.55 0.00 -2.33 0.00 0.00 43.42 41.52 3m79 n LEU 48 CO 0.20 0.67 1.12 -0.33 -1.33 0.00 0.00 177.39 177.72 3m79 h GLU 49 N 1.17 0.24 -0.00 3.23 5.08 -1.22 -1.62 114.58 121.45 3m79 h GLU 49 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m79 h GLU 49 Cb 1.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3m79 h GLU 49 CO 0.08 0.16 -0.10 -0.40 -1.00 0.00 0.00 179.01 177.75 3m79 n ASP 50 N -4.50 0.57 -4.92 1.42 5.75 -1.26 -4.90 116.55 108.71 3m79 n ASP 50 Ca 0.01 -0.74 -0.28 0.00 -0.01 0.00 0.00 54.79 53.77 3m79 n ASP 50 Cb 0.13 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 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 -2.38 3.51 0.43 0.11 -0.14 -0.61 -5.09 119.74 115.57 3m79 s LYS 51 Ca 0.31 -0.35 -0.24 0.00 -1.36 0.00 0.00 55.97 54.33 3m79 s LYS 51 Cb 0.20 -2.88 -0.08 0.00 -1.68 0.00 0.00 37.83 33.40 3m79 s LYS 51 CO 0.45 0.45 1.21 0.45 -0.76 0.00 0.00 175.35 177.15 3m79 s SER 52 N -3.00 6.29 0.36 2.83 0.15 -1.26 -4.91 113.70 114.15 3m79 s SER 52 Ca 0.38 2.42 0.21 0.00 0.70 0.00 0.00 55.95 59.67 3m79 s SER 52 Cb -0.11 -2.62 1.16 0.00 -1.71 0.00 0.00 66.02 62.74 3m79 s SER 52 CO 0.28 -0.84 1.63 -0.65 1.20 0.00 0.00 173.24 174.86 3m79 h PRO 53 N 2.39 0.00 -0.44 5.44 0.11 -1.98 -1.30 132.00 136.22 3m79 h PRO 53 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m79 h PRO 53 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3m79 h PRO 53 CO 0.61 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.93 3m79 n ASP 54 N -2.28 3.17 -4.77 -2.05 2.03 -1.26 -4.56 116.55 106.83 3m79 n ASP 54 Ca -0.01 -1.98 -0.33 0.00 0.52 0.00 0.00 54.79 52.98 3m79 n ASP 54 Cb 0.12 -0.29 0.04 0.00 -0.72 0.00 0.00 41.12 40.27 3m79 n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3m79 s SER 55 N -1.01 5.15 0.36 1.67 1.04 -0.49 -4.84 113.70 115.57 3m79 s SER 55 Ca 0.30 2.05 0.13 0.00 0.48 0.00 0.00 55.95 58.90 3m79 s SER 55 Cb 0.16 -2.56 0.94 0.00 0.10 0.00 0.00 66.02 64.66 3m79 s SER 55 CO 0.21 -1.60 1.79 -0.65 0.98 0.00 0.00 173.24 173.97 3m79 h PRO 56 N 0.20 0.54 -0.24 4.02 0.11 -1.95 -1.41 132.00 133.28 3m79 h PRO 56 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3m79 h PRO 56 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3m79 h PRO 56 CO 0.54 0.36 0.06 0.93 -0.21 0.00 0.00 178.00 179.68 3m79 h GLU 57 N 0.56 0.38 -0.19 1.05 3.07 -1.92 -0.94 114.58 116.59 3m79 h GLU 57 Ca 0.56 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 59.19 3m79 h GLU 57 Cb 1.16 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 3m79 h GLU 57 CO -0.32 0.49 -0.48 0.52 -1.40 0.00 0.00 179.01 177.82 3m79 h MET 58 N 0.21 0.51 -0.59 2.33 2.86 -1.67 0.23 114.93 118.81 3m79 h MET 58 Ca 0.08 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 3m79 h MET 58 Cb 0.28 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3m79 h MET 58 CO 0.00 0.88 0.12 0.45 1.06 0.00 0.00 176.91 179.42 3m79 h HIS 59 N 0.40 1.01 -0.32 -0.22 3.86 -1.25 -1.23 115.15 117.41 3m79 h HIS 59 Ca 0.02 -0.13 -0.12 0.00 -1.16 0.00 0.00 60.37 58.98 3m79 h HIS 59 Cb 0.99 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 3m79 h HIS 59 CO 0.04 0.87 -0.29 0.22 0.86 0.00 0.00 177.93 179.63 3m79 h ASP 60 N 0.86 0.69 0.03 2.45 3.58 -0.93 -0.49 116.42 122.62 3m79 h ASP 60 Ca 0.18 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 3m79 h ASP 60 Cb 0.39 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3m79 h ASP 60 CO 0.01 0.94 -0.02 0.15 -2.88 0.00 0.00 179.24 177.44 3m79 h PHE 61 N 0.58 -0.04 -0.47 0.28 3.57 -0.38 -2.66 116.94 117.82 3m79 h PHE 61 Ca 0.07 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3m79 h PHE 61 Cb 0.78 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3m79 h PHE 61 CO 0.04 -0.02 -0.04 0.00 -2.23 0.00 0.00 178.31 176.06 3m79 h ARG 62 N -0.05 0.81 -0.96 1.11 3.08 -1.13 -2.82 114.38 114.43 3m79 h ARG 62 Ca -0.00 -0.24 0.11 0.00 0.07 0.00 0.00 59.98 59.92 3m79 h ARG 62 Cb 0.04 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 29.93 3m79 h ARG 62 CO 0.01 0.84 0.61 1.25 -1.07 0.00 0.00 179.97 181.61 3m79 h HIS 63 N 0.75 1.06 -0.37 3.04 2.76 -0.90 -0.76 115.15 120.74 3m79 h HIS 63 Ca 0.14 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3m79 h HIS 63 Cb 0.51 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 3m79 h HIS 63 CO 0.03 0.45 0.16 0.78 -1.30 0.00 0.00 177.93 178.04 3m79 h GLY 64 N 0.95 0.55 1.55 5.26 0.00 -1.21 -1.59 103.07 108.59 3m79 h GLY 64 Ca 0.46 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.42 3m79 h GLY 64 CO -0.22 0.24 -0.41 0.74 0.00 0.00 0.00 176.54 176.89 3m79 h PHE 65 N 0.52 0.58 -0.35 5.60 0.05 -1.20 -1.87 116.94 120.28 3m79 h PHE 65 Ca 0.13 -0.17 0.03 0.00 3.82 0.00 0.00 57.97 61.78 3m79 h PHE 65 Cb 0.09 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 37.88 3m79 h PHE 65 CO 0.00 0.82 0.15 -1.49 -0.18 0.00 0.00 178.31 177.62 3m79 h TRP 66 N 0.41 0.28 0.08 -0.55 6.55 -0.65 -0.05 115.95 122.01 3m79 h TRP 66 Ca 0.04 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 3m79 h TRP 66 Cb 0.89 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.12 3m79 h TRP 66 CO 0.03 0.14 -0.04 0.82 -1.05 0.00 0.00 178.44 178.34 3m79 h ILE 67 N 0.32 0.95 -0.35 1.49 1.08 -1.28 -1.85 117.51 117.87 3m79 h ILE 67 Ca 0.15 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 3m79 h ILE 67 Cb 0.09 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 3m79 h ILE 67 CO -0.13 0.02 0.09 0.25 -0.69 0.00 0.00 178.15 177.69 3m79 h LEU 68 N -0.14 0.05 -0.55 1.44 5.85 -1.18 -1.57 115.31 119.21 3m79 h LEU 68 Ca -0.01 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3m79 h LEU 68 Cb 0.11 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3m79 h LEU 68 CO 0.02 0.07 0.32 0.40 -0.34 0.00 0.00 178.44 178.91 3m79 h ILE 69 N 0.22 1.03 -0.69 4.05 2.04 -0.90 -0.35 117.51 122.91 3m79 h ILE 69 Ca 0.17 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3m79 h ILE 69 Cb 0.17 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3m79 h ILE 69 CO -0.20 0.12 0.44 1.23 0.00 0.00 0.00 178.15 179.74 3m79 h GLY 70 N 0.63 0.98 1.46 5.37 0.00 -1.05 -1.43 103.07 109.04 3m79 h GLY 70 Ca 0.23 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 3m79 h GLY 70 CO -0.12 0.31 -0.26 1.46 0.00 0.00 0.00 176.54 177.94 3m79 h GLN 71 N 0.89 0.62 -0.40 4.80 4.20 -0.75 -2.31 115.11 122.15 3m79 h GLN 71 Ca 0.27 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 3m79 h GLN 71 Cb -0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3m79 h GLN 71 CO -0.08 0.82 -0.08 0.82 -0.67 0.00 0.00 178.83 179.64 3m79 h ILE 72 N 0.54 1.27 -0.21 2.54 2.04 -0.84 -1.65 117.51 121.20 3m79 h ILE 72 Ca 0.07 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.83 3m79 h ILE 72 Cb 0.73 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 3m79 h ILE 72 CO 0.06 0.39 -0.26 -0.74 0.00 0.00 0.00 178.15 177.60 3m79 h HIS 73 N 0.58 -0.69 -0.53 1.37 2.76 -1.15 -0.78 115.15 116.71 3m79 h HIS 73 Ca 0.10 0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3m79 h HIS 73 Cb 0.60 0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.88 3m79 h HIS 73 CO 0.05 -0.34 0.11 0.22 -1.30 0.00 0.00 177.93 176.67 3m79 h ASP 74 N -0.28 0.82 -0.39 3.26 1.82 -1.34 -2.68 116.42 117.61 3m79 h ASP 74 Ca 0.13 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.51 3m79 h ASP 74 Cb 0.48 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 3m79 h ASP 74 CO -0.37 0.85 0.23 0.00 -1.61 0.00 0.00 179.24 178.34 3m79 h ALA 75 N 1.00 1.61 -0.23 -0.78 0.00 -1.04 -2.51 119.26 117.31 3m79 h ALA 75 Ca 0.16 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3m79 h ALA 75 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3m79 h ALA 75 CO 0.01 0.33 -0.49 1.25 0.00 0.00 0.00 179.25 180.34 3m79 h LEU 76 N 0.58 0.69 -0.44 0.00 5.85 -0.92 -1.54 115.31 119.53 3m79 h LEU 76 Ca 0.15 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3m79 h LEU 76 Cb 0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3m79 h LEU 76 CO -0.02 1.07 0.24 0.45 -0.34 0.00 0.00 178.44 179.83 3m79 h HIS 77 N 0.50 0.44 -0.85 1.25 3.86 -1.13 0.25 115.15 119.47 3m79 h HIS 77 Ca 0.02 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3m79 h HIS 77 Cb 1.04 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.34 3m79 h HIS 77 CO 0.05 0.24 0.40 -0.07 0.86 0.00 0.00 177.93 179.40 3m79 h LEU 78 N 0.48 1.12 -0.75 2.43 3.38 -1.27 -1.06 115.31 119.64 3m79 h LEU 78 Ca 0.19 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3m79 h LEU 78 Cb 0.07 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3m79 h LEU 78 CO -0.11 0.95 0.18 0.00 0.09 0.00 0.00 178.44 179.55 3m79 h ALA 79 N 1.22 0.97 -0.19 1.53 0.00 -0.88 -1.30 119.26 120.61 3m79 h ALA 79 Ca 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3m79 h ALA 79 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3m79 h ALA 79 CO -0.03 0.67 -0.04 -0.91 0.00 0.00 0.00 179.25 178.93 3m79 h ASN 80 N 1.08 0.27 0.36 0.00 2.35 0.06 -1.16 115.58 118.53 3m79 h ASN 80 Ca 0.23 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3m79 h ASN 80 Cb 0.36 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3m79 h ASN 80 CO 0.00 0.36 0.00 -0.62 -1.65 0.00 0.00 177.43 175.52 3m79 n GLU 81 N -4.33 0.45 -0.98 0.81 1.02 -0.45 -4.88 120.64 112.27 3m79 n GLU 81 Ca -0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3m79 n GLU 81 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.75 0.50 3.37 0.62 0.00 -0.44 -4.97 105.19 105.02 3m79 n GLY 82 Ca 0.13 -0.16 -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 -2.98 3.30 0.16 1.61 5.02 -0.51 -4.84 118.16 119.92 3m79 n LYS 83 Ca 0.00 -3.52 -0.14 0.00 -2.02 0.00 0.00 58.31 52.63 3m79 n LYS 83 Cb 0.00 -3.20 -0.07 0.00 -0.02 0.00 0.00 35.03 31.74 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 4.79 0.60 -0.60 -0.18 2.07 -1.89 -0.37 116.25 120.68 3m79 h VAL 84 Ca 0.39 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.93 3m79 h VAL 84 Cb 0.82 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3m79 h VAL 84 CO 1.41 0.00 0.38 0.11 0.02 0.00 0.00 177.57 179.49 3m79 h LYS 85 N -0.43 0.73 -0.71 1.57 1.79 -1.97 0.69 116.57 118.24 3m79 h LYS 85 Ca -0.01 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 3m79 h LYS 85 Cb 0.38 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 3m79 h LYS 85 CO -0.01 0.49 0.19 0.93 -1.08 0.00 0.00 179.45 179.97 3m79 h GLU 86 N 0.76 1.12 -0.33 3.15 3.07 -1.91 -0.37 114.58 120.06 3m79 h GLU 86 Ca 0.23 -0.26 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 3m79 h GLU 86 Cb -0.02 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3m79 h GLU 86 CO -0.08 0.98 -0.36 0.00 -1.40 0.00 0.00 179.01 178.14 3m79 h ALA 87 N 1.13 0.73 -0.60 3.43 0.00 -0.61 -0.70 119.26 122.64 3m79 h ALA 87 Ca 0.23 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3m79 h ALA 87 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3m79 h ALA 87 CO -0.00 0.66 0.16 1.96 0.00 0.00 0.00 179.25 182.03 3m79 h GLN 88 N 0.64 0.95 -0.70 0.00 4.20 -0.63 -0.18 115.11 119.39 3m79 h GLN 88 Ca 0.06 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 3m79 h GLN 88 Cb 0.91 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 3m79 h GLN 88 CO 0.08 0.86 0.29 0.00 -0.67 0.00 0.00 178.83 179.40 3m79 h ALA 89 N 1.04 0.91 -0.58 3.87 0.00 -0.94 -0.93 119.26 122.63 3m79 h ALA 89 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3m79 h ALA 89 Cb 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3m79 h ALA 89 CO -0.00 0.52 0.38 0.00 0.00 0.00 0.00 179.25 180.15 3m79 h ALA 90 N 1.13 0.74 -0.79 0.00 0.00 -0.84 -1.62 119.26 117.88 3m79 h ALA 90 Ca 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3m79 h ALA 90 Cb 0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3m79 h ALA 90 CO -0.02 0.14 0.38 0.00 0.00 0.00 0.00 179.25 179.75 3m79 h ALA 91 N 1.23 1.18 -0.88 0.00 0.00 -0.76 -2.23 119.26 117.79 3m79 h ALA 91 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m79 h ALA 91 Cb -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3m79 h ALA 91 CO -0.06 0.63 0.56 0.93 0.00 0.00 0.00 179.25 181.30 3m79 h GLU 92 N 1.13 1.18 0.00 0.00 4.39 -0.79 -2.12 114.58 118.37 3m79 h GLU 92 Ca 0.27 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3m79 h GLU 92 Cb 0.11 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3m79 h GLU 92 CO -0.03 0.81 -0.06 1.96 -1.16 0.00 0.00 179.01 180.52 3m79 h GLN 93 N 1.21 0.00 -0.25 2.33 4.20 -0.74 -2.04 115.11 119.82 3m79 h GLN 93 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3m79 h GLN 93 Cb -0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3m79 h GLN 93 CO -0.06 0.06 0.17 -0.07 -0.67 0.00 0.00 178.83 178.26 3m79 h LEU 94 N 0.00 0.29 -1.57 1.46 3.38 -0.83 -2.95 115.31 115.08 3m79 h LEU 94 Ca -0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3m79 h LEU 94 Cb 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3m79 h LEU 94 CO 0.01 0.21 0.31 0.11 0.09 0.00 0.00 178.44 179.16 3m79 h LYS 95 N 0.34 0.56 -0.83 1.13 1.57 -1.43 -0.29 116.57 117.62 3m79 h LYS 95 Ca 0.09 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.96 3m79 h LYS 95 Cb -0.04 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.06 3m79 h LYS 95 CO -0.02 0.37 0.45 0.00 -0.57 0.00 0.00 179.45 179.68 3m79 h THR 97 N 0.69 1.38 -0.08 0.00 2.02 -1.24 -1.78 112.91 113.90 3m79 h THR 97 Ca 0.43 -1.64 0.04 0.00 0.77 0.00 0.00 66.41 66.02 3m79 h THR 97 Cb 0.52 2.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.99 3m79 h THR 97 CO -0.31 0.48 -0.35 0.00 0.37 0.00 0.00 175.52 175.72 3m79 h ASN 99 N -0.45 1.02 -0.67 0.00 -0.26 -0.65 -1.95 115.58 112.61 3m79 h ASN 99 Ca 0.08 -0.12 -0.08 0.00 -0.56 0.00 0.00 56.30 55.62 3m79 h ASN 99 Cb 0.58 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.55 3m79 h ASN 99 CO -0.33 0.87 0.12 0.00 -1.06 0.00 0.00 177.43 177.03 3m79 h ALA 100 N 1.29 0.89 -0.17 -0.83 0.00 -1.19 -1.19 119.26 118.05 3m79 h ALA 100 Ca 0.27 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3m79 h ALA 100 Cb 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3m79 h ALA 100 CO -0.03 0.65 -0.48 0.00 0.00 0.00 0.00 179.25 179.38 3m79 h HIS 102 N 0.30 0.87 -0.13 0.00 -0.00 -1.25 0.78 115.15 115.72 3m79 h HIS 102 Ca -0.01 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 3m79 h HIS 102 Cb 1.10 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 28.22 3m79 h HIS 102 CO 0.10 0.48 -0.14 -0.56 -0.00 0.00 0.00 177.93 177.81 3m79 h GLN 103 N 0.90 0.20 0.13 2.45 -0.00 -1.24 -0.71 115.11 116.84 3m79 h GLN 103 Ca 0.31 -0.04 -0.34 0.00 -0.00 0.00 0.00 58.65 58.58 3m79 h GLN 103 Cb 0.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.50 3m79 h GLN 103 CO -0.13 0.35 -1.76 0.87 -0.00 0.00 0.00 178.83 178.16 3m79 h LYS 104 N 0.19 0.28 0.00 0.06 1.57 -1.44 -3.43 116.57 113.81 3m79 h LYS 104 Ca 0.04 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3m79 h LYS 104 Cb 0.36 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3m79 h LYS 104 CO 0.02 1.16 0.00 0.66 -0.57 0.00 0.00 179.45 180.72 3m79 n TYR 105 N -3.47 0.00 1.62 -1.35 0.53 0.23 -5.12 117.16 109.60 3m79 n TYR 105 Ca -0.24 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.79 3m79 n TYR 105 Cb 1.06 0.00 0.63 0.00 -1.03 0.00 0.00 39.34 39.99 3m79 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71