#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cnu n SER 2 N 0.00 0.49 -0.31 7.83 3.41 -1.26 -4.82 113.62 118.96 3cnu n SER 2 Ca 0.00 0.54 0.01 0.00 -0.26 0.00 0.00 58.87 59.17 3cnu n SER 2 Cb 0.00 -1.45 0.20 0.00 -0.26 0.00 0.00 64.21 62.70 3cnu n SER 2 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3cnu h GLU 3 N -1.04 1.10 -0.39 4.33 4.81 -1.99 -1.58 114.58 119.81 3cnu h GLU 3 Ca -0.46 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 3cnu h GLU 3 Cb 1.30 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3cnu h GLU 3 CO 0.44 0.73 0.17 0.00 -0.73 0.00 0.00 179.01 179.62 3cnu h ALA 4 N 1.47 0.50 -0.27 2.92 0.00 -1.91 -1.26 119.26 120.72 3cnu h ALA 4 Ca 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3cnu h ALA 4 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3cnu h ALA 4 CO -0.11 0.08 0.09 -0.22 0.00 0.00 0.00 179.25 179.09 3cnu h LYS 5 N 0.49 0.41 -0.67 0.00 3.64 -1.85 -0.87 116.57 117.72 3cnu h LYS 5 Ca 0.13 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3cnu h LYS 5 Cb 0.15 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 3cnu h LYS 5 CO -0.01 0.47 0.27 1.49 -2.27 0.00 0.00 179.45 179.40 3cnu h GLU 6 N 0.27 0.45 -0.42 1.90 4.81 -1.14 -1.32 114.58 119.14 3cnu h GLU 6 Ca 0.09 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3cnu h GLU 6 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3cnu h GLU 6 CO -0.00 0.30 -0.26 1.25 -0.73 0.00 0.00 179.01 179.56 3cnu h LEU 7 N 0.47 0.92 -0.64 1.64 5.85 -0.96 -0.72 115.31 121.87 3cnu h LEU 7 Ca 0.34 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3cnu h LEU 7 Cb 0.43 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3cnu h LEU 7 CO -0.32 1.12 0.32 0.40 -0.34 0.00 0.00 178.44 179.63 3cnu h ILE 8 N 0.76 1.22 -0.42 4.05 2.04 -0.80 -0.35 117.51 124.01 3cnu h ILE 8 Ca 0.09 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3cnu h ILE 8 Cb 0.82 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3cnu h ILE 8 CO 0.07 0.24 0.24 0.50 0.00 0.00 0.00 178.15 179.21 3cnu h LYS 9 N 0.88 0.57 -0.72 2.37 3.64 -1.01 -1.29 116.57 121.01 3cnu h LYS 9 Ca 0.22 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3cnu h LYS 9 Cb 0.10 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3cnu h LYS 9 CO -0.03 0.44 0.43 0.87 -2.27 0.00 0.00 179.45 178.89 3cnu h LYS 10 N 0.54 0.79 -0.70 1.90 1.57 -0.84 -1.98 116.57 117.85 3cnu h LYS 10 Ca 0.15 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3cnu h LYS 10 Cb 0.02 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3cnu h LYS 10 CO -0.03 0.52 0.37 0.52 -0.57 0.00 0.00 179.45 180.27 3cnu h MET 11 N 0.81 0.98 -0.86 3.15 2.86 -0.75 -1.45 114.93 119.68 3cnu h MET 11 Ca 0.30 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3cnu h MET 11 Cb 0.11 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3cnu h MET 11 CO -0.15 0.75 0.56 0.00 1.06 0.00 0.00 176.91 179.14 3cnu h ASP 13 N 1.14 0.82 -0.37 0.00 3.32 -1.01 -0.72 116.42 119.60 3cnu h ASP 13 Ca 0.32 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3cnu h ASP 13 Cb -0.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3cnu h ASP 13 CO -0.08 0.73 0.07 -0.07 -1.72 0.00 0.00 179.24 178.17 3cnu h LEU 14 N 0.85 0.58 -0.38 1.55 3.38 -1.00 -2.73 115.31 117.55 3cnu h LEU 14 Ca 0.21 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3cnu h LEU 14 Cb 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3cnu h LEU 14 CO -0.03 0.68 0.20 -0.61 0.09 0.00 0.00 178.44 178.77 3cnu h GLN 15 N 0.45 0.39 0.00 1.13 4.15 -0.81 -2.00 115.11 118.42 3cnu h GLN 15 Ca 0.11 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3cnu h GLN 15 Cb 0.34 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3cnu h GLN 15 CO 0.00 0.26 0.00 0.09 -1.93 0.00 0.00 178.83 177.25 3cnu n ASN 16 N -4.92 0.66 -0.42 -0.69 5.03 -0.29 -2.71 115.26 111.93 3cnu n ASN 16 Ca 0.01 0.65 0.05 0.00 0.87 0.00 0.00 54.58 56.15 3cnu n ASN 16 Cb 0.09 -0.79 0.07 0.00 -1.02 0.00 0.00 39.78 38.12 3cnu n ASN 16 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3cnu n SER 17 N -2.21 2.07 -3.91 6.41 3.41 -1.03 -4.93 113.62 113.43 3cnu n SER 17 Ca 0.03 -1.57 -0.30 0.00 -0.26 0.00 0.00 58.87 56.76 3cnu n SER 17 Cb 0.26 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.00 3cnu n SER 17 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3cnu s ASN 18 N -0.84 4.20 0.37 4.04 3.84 -0.78 -5.00 114.94 120.77 3cnu s ASN 18 Ca 0.13 -1.61 0.07 0.00 0.21 0.00 0.00 52.86 51.66 3cnu s ASN 18 Cb 0.08 -1.25 0.79 0.00 -0.55 0.00 0.00 41.25 40.33 3cnu s ASN 18 CO 0.12 -0.33 1.95 -0.08 -2.79 0.00 0.00 177.10 175.97 3cnu h GLU 19 N 7.88 0.68 -0.36 0.43 4.22 -1.89 -1.66 114.58 123.87 3cnu h GLU 19 Ca -0.12 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.21 3cnu h GLU 19 Cb 1.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3cnu h GLU 19 CO 0.46 0.45 -0.04 1.49 -2.18 0.00 0.00 179.01 179.20 3cnu h GLU 20 N 0.70 0.66 -0.56 1.92 4.81 -1.94 -0.54 114.58 119.63 3cnu h GLU 20 Ca 0.33 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3cnu h GLU 20 Cb 0.36 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3cnu h GLU 20 CO -0.11 0.79 0.23 0.82 -0.73 0.00 0.00 179.01 180.01 3cnu h ILE 21 N 0.46 1.22 -0.69 2.32 2.04 -1.76 -2.24 117.51 118.86 3cnu h ILE 21 Ca 0.10 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.33 3cnu h ILE 21 Cb 0.52 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3cnu h ILE 21 CO 0.03 0.26 0.42 1.56 0.00 0.00 0.00 178.15 180.42 3cnu h GLN 22 N 0.76 0.79 -0.65 2.37 4.20 -1.09 -0.34 115.11 121.15 3cnu h GLN 22 Ca 0.19 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.88 3cnu h GLN 22 Cb 0.18 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3cnu h GLN 22 CO -0.02 0.52 0.40 0.87 -0.67 0.00 0.00 178.83 179.93 3cnu h LYS 23 N 0.81 0.75 0.00 1.46 1.57 -0.79 0.10 116.57 120.48 3cnu h LYS 23 Ca 0.29 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 3cnu h LYS 23 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3cnu h LYS 23 CO -0.13 0.50 -0.41 0.93 -0.57 0.00 0.00 179.45 179.77 3cnu h GLU 24 N 0.77 0.00 0.00 3.15 5.08 -0.80 -3.04 114.58 119.74 3cnu h GLU 24 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3cnu h GLU 24 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3cnu h GLU 24 CO -0.11 0.41 -0.89 0.52 -1.00 0.00 0.00 179.01 177.93 3cnu h MET 25 N 0.00 0.00 -7.14 2.33 2.86 -0.47 -3.48 114.93 109.03 3cnu h MET 25 Ca -0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 3cnu h MET 25 Cb 0.74 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.56 3cnu h MET 25 CO 0.05 0.00 0.46 0.00 1.06 0.00 0.00 176.91 178.48 3cnu s ALA 26 N -3.30 2.23 0.00 6.32 0.00 0.31 -3.69 121.76 123.62 3cnu s ALA 26 Ca 0.02 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3cnu s ALA 26 Cb 0.11 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3cnu s ALA 26 CO 0.77 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3cnu n GLY 27 N 0.70 0.22 3.16 0.00 0.00 0.40 -4.91 105.19 104.75 3cnu n GLY 27 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3cnu n GLY 27 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cnu s TRP 28 N -2.00 1.34 -0.02 1.61 -0.00 -1.24 -5.00 118.94 113.63 3cnu s TRP 28 Ca 0.00 -0.34 0.02 0.00 -0.00 0.00 0.00 56.10 55.79 3cnu s TRP 28 Cb 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 33.47 32.67 3cnu s TRP 28 CO 0.00 0.03 -0.08 0.45 -0.00 0.00 0.00 176.95 177.36 3cnu s SER 29 N -1.00 1.07 -0.12 5.86 0.15 -1.26 -3.31 113.70 115.09 3cnu s SER 29 Ca 0.03 -0.16 -0.34 0.00 0.70 0.00 0.00 55.95 56.18 3cnu s SER 29 Cb -0.08 -0.28 0.15 0.00 -1.71 0.00 0.00 66.02 64.10 3cnu s SER 29 CO 0.01 0.05 1.40 -0.83 1.20 0.00 0.00 173.24 175.07 3cnu s GLY 30 N 0.20 -0.43 -0.15 9.45 0.00 -0.21 -4.99 107.32 111.19 3cnu s GLY 30 Ca -0.03 1.12 0.01 0.00 0.00 0.00 0.00 44.72 45.82 3cnu s GLY 30 CO 0.00 0.26 -0.18 0.14 0.00 0.00 0.00 173.10 173.33 3cnu s VAL 31 N -2.10 2.38 -0.32 1.40 1.01 -1.26 0.68 120.40 122.20 3cnu s VAL 31 Ca 0.14 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 3cnu s VAL 31 Cb 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3cnu s VAL 31 CO -0.05 0.53 0.15 -0.69 0.00 0.00 0.00 175.10 175.04 3cnu s VAL 32 N 0.88 4.48 -0.02 2.92 1.01 -0.21 -0.84 120.40 128.62 3cnu s VAL 32 Ca -0.05 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 3cnu s VAL 32 Cb -0.15 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3cnu s VAL 32 CO -0.02 -0.01 0.66 -1.58 0.00 0.00 0.00 175.10 174.16 3cnu s GLN 33 N 1.58 4.40 -0.05 2.72 2.00 -0.41 -1.22 119.66 128.67 3cnu s GLN 33 Ca 0.04 0.85 0.01 0.00 -2.00 0.00 0.00 55.36 54.25 3cnu s GLN 33 Cb -0.18 -3.38 -0.03 0.00 0.80 0.00 0.00 33.01 30.22 3cnu s GLN 33 CO 0.06 0.25 -0.03 0.71 -0.50 0.00 0.00 175.29 175.77 3cnu s TYR 34 N 0.18 3.02 -0.28 1.67 2.02 0.13 -0.07 117.35 124.02 3cnu s TYR 34 Ca 0.35 0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 57.08 3cnu s TYR 34 Cb -0.18 -1.71 0.10 0.00 -0.40 0.00 0.00 41.96 39.76 3cnu s TYR 34 CO 0.19 0.40 0.12 0.21 -1.57 0.00 0.00 175.55 174.90 3cnu s LYS 35 N -1.07 0.25 -0.40 -0.62 2.20 -0.26 -2.43 119.74 117.41 3cnu s LYS 35 Ca 0.15 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 3cnu s LYS 35 Cb -0.11 -1.34 0.11 0.00 -1.51 0.00 0.00 37.83 34.97 3cnu s LYS 35 CO 0.04 -0.97 0.18 -0.51 -0.36 0.00 0.00 175.35 173.73 3cnu s LEU 36 N 2.04 5.14 -1.37 5.43 1.43 -0.40 -2.44 118.68 128.51 3cnu s LEU 36 Ca 0.08 -1.99 -0.07 0.00 -1.03 0.00 0.00 54.13 51.13 3cnu s LEU 36 Cb -0.16 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3cnu s LEU 36 CO -0.32 -0.52 0.42 0.47 0.23 0.00 0.00 176.35 176.63 3cnu n ASP 37 N 4.58 -1.21 0.00 2.29 9.92 -1.25 -1.40 116.55 129.48 3cnu n ASP 37 Ca -0.03 -1.09 0.00 0.00 -0.53 0.00 0.00 54.79 53.14 3cnu n ASP 37 Cb 0.42 -2.69 0.00 0.00 -0.64 0.00 0.00 41.12 38.21 3cnu n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cnu n GLY 38 N -2.07 2.41 3.65 0.44 0.00 -1.26 -4.98 105.19 103.39 3cnu n GLY 38 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3cnu n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cnu s GLU 39 N 0.00 4.11 -0.17 1.61 2.12 -0.50 -4.99 118.70 120.89 3cnu s GLU 39 Ca 0.00 2.13 -0.02 0.00 0.36 0.00 0.00 54.97 57.44 3cnu s GLU 39 Cb 0.00 -4.00 -0.01 0.00 0.26 0.00 0.00 34.13 30.37 3cnu s GLU 39 CO 0.00 -0.93 -0.09 -1.21 -0.54 0.00 0.00 175.26 172.49 3cnu s GLU 40 N 4.18 3.42 0.15 4.30 0.41 -1.26 -1.28 118.70 128.62 3cnu s GLU 40 Ca 0.74 -0.64 -0.24 0.00 -0.41 0.00 0.00 54.97 54.42 3cnu s GLU 40 Cb -0.32 -2.80 0.07 0.00 -1.78 0.00 0.00 34.13 29.29 3cnu s GLU 40 CO 0.30 0.07 0.65 -0.59 -0.49 0.00 0.00 175.26 175.20 3cnu s PHE 41 N 0.75 -0.48 0.10 1.61 -0.12 -1.02 -1.34 117.98 117.48 3cnu s PHE 41 Ca -0.04 0.26 -0.06 0.00 -0.05 0.00 0.00 56.93 57.04 3cnu s PHE 41 Cb -0.15 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 3cnu s PHE 41 CO 0.02 -0.84 0.14 1.52 -0.05 0.00 0.00 175.22 176.01 3cnu s TYR 42 N -3.67 0.36 -0.14 3.49 -0.85 0.05 0.19 117.35 116.77 3cnu s TYR 42 Ca 0.02 -0.80 0.01 0.00 -0.52 0.00 0.00 57.07 55.78 3cnu s TYR 42 Cb -0.01 -0.18 0.02 0.00 0.38 0.00 0.00 41.96 42.16 3cnu s TYR 42 CO -0.11 -0.54 -0.15 0.08 -1.52 0.00 0.00 175.55 173.32 3cnu s VAL 43 N -3.92 1.57 -0.22 -3.49 1.01 -0.36 -0.26 120.40 114.74 3cnu s VAL 43 Ca 0.10 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 3cnu s VAL 43 Cb 0.06 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3cnu s VAL 43 CO -0.07 0.46 0.73 -1.61 0.00 0.00 0.00 175.10 174.60 3cnu s GLU 44 N 1.34 4.20 -0.23 2.72 2.02 0.08 -1.04 118.70 127.79 3cnu s GLU 44 Ca 0.02 0.77 -0.08 0.00 0.02 0.00 0.00 54.97 55.70 3cnu s GLU 44 Cb -0.13 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 3cnu s GLU 44 CO -0.08 -0.38 0.08 0.71 0.02 0.00 0.00 175.26 175.62 3cnu s TYR 45 N 2.36 3.17 0.11 1.61 2.02 0.22 -0.95 117.35 125.88 3cnu s TYR 45 Ca 0.32 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 3cnu s TYR 45 Cb -0.16 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 3cnu s TYR 45 CO 0.09 -0.12 0.15 0.15 -1.57 0.00 0.00 175.55 174.25 3cnu s LYS 46 N 1.13 3.08 0.57 -0.62 1.02 -0.53 -1.04 119.74 123.35 3cnu s LYS 46 Ca 0.05 -0.67 0.26 0.00 0.02 0.00 0.00 55.97 55.63 3cnu s LYS 46 Cb -0.14 -2.80 1.67 0.00 -0.52 0.00 0.00 37.83 36.03 3cnu s LYS 46 CO 0.04 0.55 2.21 0.77 -0.92 0.00 0.00 175.35 177.99 3cnu h SER 47 N 2.84 0.00 0.00 2.83 0.02 -1.84 -0.41 113.55 116.99 3cnu h SER 47 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3cnu h SER 47 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3cnu h SER 47 CO 0.68 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.47 3cnu n ASP 48 N -4.02 0.00 0.00 3.07 5.75 -1.26 -0.45 116.55 119.63 3cnu n ASP 48 Ca -0.02 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 3cnu n ASP 48 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3cnu n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cnu n GLY 49 N 0.78 0.77 3.98 6.12 0.00 -0.16 -4.68 105.19 111.99 3cnu n GLY 49 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3cnu n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cnu s THR 50 N -2.95 2.48 0.22 2.61 -4.23 -1.25 -4.31 115.64 108.22 3cnu s THR 50 Ca 0.00 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.78 3cnu s THR 50 Cb 0.00 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3cnu s THR 50 CO 0.00 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.49 3cnu s GLU 52 N -4.01 0.38 -0.12 0.00 2.02 -0.12 -4.92 118.70 111.93 3cnu s GLU 52 Ca 0.22 0.17 -0.23 0.00 0.02 0.00 0.00 54.97 55.15 3cnu s GLU 52 Cb 0.01 -0.77 -0.03 0.00 0.10 0.00 0.00 34.13 33.44 3cnu s GLU 52 CO 0.07 -0.28 0.69 0.12 0.02 0.00 0.00 175.26 175.88 3cnu s PHE 53 N 1.85 3.49 0.05 1.61 5.36 -1.26 -0.74 117.98 128.34 3cnu s PHE 53 Ca 0.02 1.14 0.04 0.00 -0.96 0.00 0.00 56.93 57.18 3cnu s PHE 53 Cb -0.12 -2.82 -0.02 0.00 -0.34 0.00 0.00 43.02 39.71 3cnu s PHE 53 CO -0.04 -0.03 -0.13 0.15 -1.46 0.00 0.00 175.22 173.71 3cnu s LYS 54 N 1.32 0.80 0.35 10.12 -0.14 0.64 -5.01 119.74 127.82 3cnu s LYS 54 Ca 0.35 -0.79 -0.24 0.00 -1.36 0.00 0.00 55.97 53.92 3cnu s LYS 54 Cb -0.17 -0.77 -0.10 0.00 -1.68 0.00 0.00 37.83 35.11 3cnu s LYS 54 CO 0.14 0.18 0.94 -1.21 -0.76 0.00 0.00 175.35 174.65 3cnu s GLU 55 N -1.35 4.46 0.80 1.68 0.41 -1.26 -0.77 118.70 122.66 3cnu s GLU 55 Ca -0.01 1.25 0.00 0.00 -0.41 0.00 0.00 54.97 55.80 3cnu s GLU 55 Cb -0.09 -2.60 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 3cnu s GLU 55 CO 0.01 0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.38 3cnu n GLY 56 N 0.18 -1.05 3.23 -1.39 0.00 -0.45 -4.83 105.19 100.88 3cnu n GLY 56 Ca 0.03 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3cnu n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cnu s VAL 57 N 0.00 2.58 0.26 1.61 1.01 -1.26 -2.42 120.40 122.19 3cnu s VAL 57 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 3cnu s VAL 57 Cb 0.00 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 3cnu s VAL 57 CO 0.00 0.51 0.83 -2.28 0.00 0.00 0.00 175.10 174.16 3cnu s HIS 58 N 1.01 3.70 0.40 5.22 2.46 -1.26 -4.97 115.29 121.84 3cnu s HIS 58 Ca -0.02 1.60 0.12 0.00 0.47 0.00 0.00 55.06 57.24 3cnu s HIS 58 Cb -0.15 -2.78 0.82 0.00 -0.13 0.00 0.00 32.58 30.34 3cnu s HIS 58 CO -0.03 0.30 1.90 0.66 -2.47 0.00 0.00 174.74 175.09 3cnu h SER 59 N 3.40 0.07 -1.44 9.88 4.64 -2.04 -3.35 113.55 124.71 3cnu h SER 59 Ca -0.47 -0.02 -0.42 0.00 -0.47 0.00 0.00 61.79 60.41 3cnu h SER 59 Cb 1.19 -0.02 -0.29 0.00 -0.31 0.00 0.00 62.40 62.97 3cnu h SER 59 CO 0.65 0.33 -0.83 -1.20 -0.87 0.00 0.00 176.83 174.91 3cnu n SER 60 N -4.22 -1.33 -4.78 4.97 7.64 -1.26 -5.14 113.62 109.51 3cnu n SER 60 Ca -0.02 -2.80 -0.32 0.00 1.01 0.00 0.00 58.87 56.74 3cnu n SER 60 Cb 0.32 0.37 0.06 0.00 -1.01 0.00 0.00 64.21 63.95 3cnu n SER 60 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3cnu s PRO 61 N -0.09 2.66 0.12 1.43 0.04 -1.26 -4.91 135.00 132.99 3cnu s PRO 61 Ca 0.33 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 3cnu s PRO 61 Cb 0.13 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 3cnu s PRO 61 CO -0.16 -1.34 1.76 1.15 0.04 0.00 0.00 177.00 178.45 3cnu h THR 62 N -0.43 0.97 -3.24 1.26 2.02 -1.37 -3.46 112.91 108.66 3cnu h THR 62 Ca -0.45 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3cnu h THR 62 Cb 1.23 0.77 -0.10 0.00 -1.74 0.00 0.00 68.15 68.31 3cnu h THR 62 CO 0.54 0.03 0.06 0.72 0.37 0.00 0.00 175.52 177.24 3cnu s PHE 63 N -6.18 -0.19 -0.08 3.16 -0.12 -1.18 -4.22 117.98 109.16 3cnu s PHE 63 Ca -0.13 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 3cnu s PHE 63 Cb 0.09 0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 42.90 3cnu s PHE 63 CO 0.69 -0.91 -0.22 0.99 -0.05 0.00 0.00 175.22 175.72 3cnu s THR 64 N -3.85 2.33 -0.34 -4.49 2.01 0.29 -1.29 115.64 110.30 3cnu s THR 64 Ca 0.08 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.99 3cnu s THR 64 Cb -0.01 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 3cnu s THR 64 CO -0.04 0.56 0.29 -0.69 -0.69 0.00 0.00 174.62 174.04 3cnu s VAL 65 N 0.03 5.24 -0.41 3.82 1.01 0.90 -0.92 120.40 130.07 3cnu s VAL 65 Ca -0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 3cnu s VAL 65 Cb -0.15 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.58 3cnu s VAL 65 CO 0.05 -0.03 0.21 -0.69 0.00 0.00 0.00 175.10 174.65 3cnu s VAL 66 N 1.84 3.62 -0.00 2.92 1.01 0.13 -1.11 120.40 128.82 3cnu s VAL 66 Ca 0.08 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.29 3cnu s VAL 66 Cb -0.17 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 3cnu s VAL 66 CO 0.11 -0.58 0.01 0.00 0.00 0.00 0.00 175.10 174.64 3cnu s ALA 67 N 1.26 -0.02 0.27 5.51 0.00 -1.02 -1.51 121.76 126.25 3cnu s ALA 67 Ca 0.05 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 3cnu s ALA 67 Cb -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 23.12 22.78 3cnu s ALA 67 CO -0.02 -0.04 1.53 -2.14 0.00 0.00 0.00 175.76 175.09 3cnu s PRO 68 N -0.25 4.19 0.41 0.00 0.02 -1.26 -3.74 135.00 134.37 3cnu s PRO 68 Ca -0.03 2.45 0.08 0.00 0.02 0.00 0.00 61.00 63.52 3cnu s PRO 68 Cb -0.02 -3.07 0.87 0.00 0.02 0.00 0.00 34.50 32.30 3cnu s PRO 68 CO -0.00 -0.54 2.05 -1.00 -0.33 0.00 0.00 177.00 177.18 3cnu h PRO 69 N 5.01 0.54 -0.06 5.54 0.13 -1.94 -1.05 132.00 140.16 3cnu h PRO 69 Ca -0.46 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 3cnu h PRO 69 Cb 1.22 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3cnu h PRO 69 CO 0.79 0.36 -0.75 -0.44 -0.23 0.00 0.00 178.00 177.73 3cnu h ASP 70 N 0.55 0.45 -0.25 1.44 3.32 -2.00 -1.43 116.42 118.50 3cnu h ASP 70 Ca 0.17 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 3cnu h ASP 70 Cb -0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3cnu h ASP 70 CO -0.04 1.05 0.03 0.15 -1.72 0.00 0.00 179.24 178.72 3cnu h PHE 71 N 0.25 0.46 -0.45 4.55 3.57 -1.84 -2.35 116.94 121.12 3cnu h PHE 71 Ca -0.03 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 3cnu h PHE 71 Cb 1.33 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 3cnu h PHE 71 CO 0.04 0.55 0.12 2.35 -2.23 0.00 0.00 178.31 179.15 3cnu h TRP 72 N 0.23 0.68 -0.20 0.41 2.91 -1.07 -0.67 115.95 118.24 3cnu h TRP 72 Ca 0.08 -0.05 0.01 0.00 1.13 0.00 0.00 58.89 60.06 3cnu h TRP 72 Cb 0.35 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 3cnu h TRP 72 CO 0.02 0.57 0.11 1.25 -1.03 0.00 0.00 178.44 179.37 3cnu h LEU 73 N 0.66 0.18 -1.03 0.65 5.85 -1.16 0.73 115.31 121.18 3cnu h LEU 73 Ca 0.15 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3cnu h LEU 73 Cb 0.23 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3cnu h LEU 73 CO -0.01 0.13 0.65 0.00 -0.34 0.00 0.00 178.44 178.87 3cnu h ALA 74 N 1.09 1.38 0.22 1.25 0.00 -0.83 -0.13 119.26 122.23 3cnu h ALA 74 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3cnu h ALA 74 Cb -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3cnu h ALA 74 CO -0.04 0.51 -0.10 0.28 0.00 0.00 0.00 179.25 179.89 3cnu h VAL 75 N 1.22 0.81 -0.61 0.00 2.07 -0.61 0.28 116.25 119.41 3cnu h VAL 75 Ca 0.40 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.91 3cnu h VAL 75 Cb 0.06 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3cnu h VAL 75 CO -0.14 0.02 0.41 -0.07 0.02 0.00 0.00 177.57 177.81 3cnu h LEU 76 N -0.33 0.46 -0.28 2.57 3.38 -0.20 -0.58 115.31 120.33 3cnu h LEU 76 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3cnu h LEU 76 Cb 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3cnu h LEU 76 CO 0.05 0.29 -0.05 0.29 0.09 0.00 0.00 178.44 179.11 3cnu n LYS 77 N -4.48 0.95 -1.00 1.13 5.02 -0.12 -4.92 118.16 114.74 3cnu n LYS 77 Ca 0.09 -0.28 -0.00 0.00 -2.02 0.00 0.00 58.31 56.10 3cnu n LYS 77 Cb 0.29 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3cnu n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cnu n GLY 78 N 1.17 0.46 0.09 0.72 0.00 -0.23 -4.92 105.19 102.48 3cnu n GLY 78 Ca 0.18 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 3cnu n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3cnu h GLN 79 N 0.62 0.00 -5.62 1.61 4.20 -0.67 -3.46 115.11 111.78 3cnu h GLN 79 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.18 3cnu h GLN 79 Cb 0.02 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.66 3cnu h GLN 79 CO 0.00 0.75 -0.68 -1.21 -0.67 0.00 0.00 178.83 177.03 3cnu s GLU 80 N -2.80 1.61 -0.12 1.46 0.41 -0.80 -4.92 118.70 113.54 3cnu s GLU 80 Ca 0.01 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.75 3cnu s GLU 80 Cb 0.09 -1.29 -0.02 0.00 -1.78 0.00 0.00 34.13 31.13 3cnu s GLU 80 CO 0.80 0.07 -0.13 0.34 -0.49 0.00 0.00 175.26 175.84 3cnu s ASP 81 N -3.48 4.02 0.53 -0.19 2.15 -1.26 -4.26 116.67 114.17 3cnu s ASP 81 Ca 0.30 -0.31 0.17 0.00 0.43 0.00 0.00 52.55 53.14 3cnu s ASP 81 Cb 0.03 -1.55 1.32 0.00 -0.30 0.00 0.00 42.92 42.42 3cnu s ASP 81 CO 0.13 0.18 2.16 -0.65 -0.17 0.00 0.00 175.17 176.82 3cnu h PRO 82 N 6.58 0.00 0.03 4.34 0.11 -1.98 0.06 132.00 141.15 3cnu h PRO 82 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3cnu h PRO 82 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cnu h PRO 82 CO 0.55 0.00 -0.02 0.28 -0.21 0.00 0.00 178.00 178.61 3cnu h VAL 83 N 0.00 0.73 -0.66 3.15 2.07 -1.99 -1.96 116.25 117.59 3cnu h VAL 83 Ca 0.00 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 3cnu h VAL 83 Cb 0.01 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3cnu h VAL 83 CO -0.00 0.24 0.27 0.77 0.02 0.00 0.00 177.57 178.87 3cnu h SER 84 N -0.99 0.89 -0.72 0.57 4.64 -1.99 -1.07 113.55 114.88 3cnu h SER 84 Ca -0.00 -0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3cnu h SER 84 Cb 0.43 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 3cnu h SER 84 CO 0.01 0.79 0.47 1.23 -0.87 0.00 0.00 176.83 178.45 3cnu h GLY 85 N 1.04 1.03 0.96 -0.77 0.00 -1.07 -1.03 103.07 103.23 3cnu h GLY 85 Ca 0.23 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3cnu h GLY 85 CO -0.02 0.33 0.01 -2.75 0.00 0.00 0.00 176.54 174.11 3cnu h PHE 86 N 0.93 0.82 -0.69 5.60 3.57 -0.92 -0.33 116.94 125.92 3cnu h PHE 86 Ca 0.28 -0.14 0.07 0.00 3.53 0.00 0.00 57.97 61.71 3cnu h PHE 86 Cb -0.04 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 3cnu h PHE 86 CO -0.03 0.81 0.45 0.52 -2.23 0.00 0.00 178.31 177.83 3cnu h MET 87 N 0.59 0.67 0.00 1.11 2.86 -0.91 -1.78 114.93 117.47 3cnu h MET 87 Ca 0.12 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3cnu h MET 87 Cb 0.48 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3cnu h MET 87 CO 0.02 0.45 -0.06 -1.33 1.06 0.00 0.00 176.91 177.05 3cnu n MET 88 N -4.48 0.21 -2.02 1.72 2.81 -0.42 -4.95 117.12 110.00 3cnu n MET 88 Ca 0.10 0.16 -0.00 0.00 -1.81 0.00 0.00 57.70 56.15 3cnu n MET 88 Cb 0.24 -1.74 -0.00 0.00 -0.71 0.00 0.00 33.22 31.01 3cnu n MET 88 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cnu n GLY 89 N 1.35 0.37 0.00 3.03 0.00 -0.67 -4.96 105.19 104.31 3cnu n GLY 89 Ca 0.06 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.34 3cnu n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cnu n LYS 90 N -1.03 0.00 -3.87 1.61 5.02 -0.18 -4.84 118.16 114.88 3cnu n LYS 90 Ca -0.00 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.22 3cnu n LYS 90 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 3cnu n LYS 90 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3cnu s TYR 91 N -3.00 0.07 0.22 2.13 -0.85 -1.26 -4.61 117.35 110.05 3cnu s TYR 91 Ca 0.14 -0.59 0.02 0.00 -0.52 0.00 0.00 57.07 56.11 3cnu s TYR 91 Cb 0.18 0.66 -0.05 0.00 0.38 0.00 0.00 41.96 43.13 3cnu s TYR 91 CO 0.52 -1.34 0.04 -0.98 -1.52 0.00 0.00 175.55 172.26 3cnu s ARG 92 N -3.23 1.28 -0.03 -3.49 1.70 -0.57 -4.79 118.95 109.83 3cnu s ARG 92 Ca 0.15 -1.66 0.01 0.00 -0.47 0.00 0.00 55.73 53.77 3cnu s ARG 92 Cb -0.05 -0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.00 3cnu s ARG 92 CO 0.10 -0.19 -0.05 0.42 -1.08 0.00 0.00 175.30 174.50 3cnu s ILE 93 N -3.64 0.53 -0.13 4.99 1.01 -1.26 -0.69 121.20 122.02 3cnu s ILE 93 Ca 0.30 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3cnu s ILE 93 Cb 0.07 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 3cnu s ILE 93 CO 0.09 0.21 -0.16 -1.61 0.00 0.00 0.00 174.94 173.46 3cnu s GLU 94 N 0.62 3.27 0.00 2.79 2.02 -0.10 -4.96 118.70 122.34 3cnu s GLU 94 Ca -0.08 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.16 3cnu s GLU 94 Cb -0.12 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.57 3cnu s GLU 94 CO 0.00 0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.86 3cnu n GLY 95 N 3.64 3.47 0.16 -1.39 0.00 -1.26 -0.55 105.19 109.26 3cnu n GLY 95 Ca -0.19 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.32 3cnu n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cnu n ASN 96 N 0.00 1.02 0.19 1.61 4.13 -1.26 -4.82 115.26 116.13 3cnu n ASN 96 Ca 0.00 -2.02 0.04 0.00 1.68 0.00 0.00 54.58 54.29 3cnu n ASN 96 Cb 0.00 -0.16 0.46 0.00 -1.54 0.00 0.00 39.78 38.54 3cnu n ASN 96 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3cnu h ILE 97 N 2.71 1.16 -0.82 2.41 6.09 -1.93 -2.03 117.51 125.10 3cnu h ILE 97 Ca 0.00 -0.72 0.01 0.00 -1.37 0.00 0.00 64.86 62.78 3cnu h ILE 97 Cb 1.00 1.34 -0.04 0.00 0.47 0.00 0.00 36.82 39.59 3cnu h ILE 97 CO 0.00 0.21 0.54 -0.03 -3.07 0.00 0.00 178.15 175.81 3cnu h MET 98 N 0.06 1.07 -0.39 2.19 4.05 -1.88 0.17 114.93 120.19 3cnu h MET 98 Ca 0.01 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 3cnu h MET 98 Cb 0.37 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 3cnu h MET 98 CO 0.03 0.71 -0.01 0.93 0.23 0.00 0.00 176.91 178.79 3cnu h GLU 99 N 1.10 0.71 -0.58 0.39 3.07 -1.75 -0.94 114.58 116.58 3cnu h GLU 99 Ca 0.30 -0.23 0.07 0.00 -0.50 0.00 0.00 59.36 59.00 3cnu h GLU 99 Cb -0.11 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 27.68 3cnu h GLU 99 CO -0.07 0.80 0.26 0.00 -1.40 0.00 0.00 179.01 178.61 3cnu h ALA 100 N 0.88 0.75 -0.68 3.43 0.00 -1.09 -0.65 119.26 121.90 3cnu h ALA 100 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3cnu h ALA 100 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3cnu h ALA 100 CO 0.02 -0.11 0.37 1.96 0.00 0.00 0.00 179.25 181.49 3cnu h GLN 101 N 0.49 0.95 -0.29 0.00 4.20 -0.51 -1.57 115.11 118.37 3cnu h GLN 101 Ca 0.27 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3cnu h GLN 101 Cb 0.25 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3cnu h GLN 101 CO -0.22 0.72 0.19 -0.09 -0.67 0.00 0.00 178.83 178.75 3cnu h ARG 102 N 0.93 0.39 -0.84 1.46 9.65 -0.76 -1.31 114.38 123.90 3cnu h ARG 102 Ca 0.24 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.14 3cnu h ARG 102 Cb 0.05 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.48 3cnu h ARG 102 CO -0.04 0.29 0.53 -0.07 2.80 0.00 0.00 179.97 183.48 3cnu h LEU 103 N 0.39 0.85 -0.28 3.80 3.38 -0.94 -1.61 115.31 120.89 3cnu h LEU 103 Ca 0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3cnu h LEU 103 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3cnu h LEU 103 CO -0.02 0.56 0.09 0.00 0.09 0.00 0.00 178.44 179.15 3cnu h ALA 104 N 1.38 0.37 -0.45 1.53 0.00 -0.89 -1.93 119.26 119.28 3cnu h ALA 104 Ca 0.36 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3cnu h ALA 104 Cb 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3cnu h ALA 104 CO -0.15 -0.00 0.22 0.78 0.00 0.00 0.00 179.25 180.09 3cnu h GLY 105 N 0.30 0.61 1.00 0.00 0.00 -1.05 0.92 103.07 104.84 3cnu h GLY 105 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3cnu h GLY 105 CO -0.00 0.10 -0.05 -2.08 0.00 0.00 0.00 176.54 174.51 3cnu h VAL 106 N 0.44 0.90 -0.41 4.60 2.07 -1.14 -3.07 116.25 119.63 3cnu h VAL 106 Ca 0.19 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 3cnu h VAL 106 Cb 0.11 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3cnu h VAL 106 CO -0.14 0.00 -0.00 0.40 0.02 0.00 0.00 177.57 177.84 3cnu h ILE 107 N -0.13 1.22 -0.81 4.57 1.08 -1.20 -2.48 117.51 119.75 3cnu h ILE 107 Ca -0.01 -0.91 0.15 0.00 -0.39 0.00 0.00 64.86 63.69 3cnu h ILE 107 Cb 0.11 0.91 -0.10 0.00 -3.07 0.00 0.00 36.82 34.67 3cnu h ILE 107 CO 0.02 0.32 0.38 0.50 -0.69 0.00 0.00 178.15 178.68 3cnu h LYS 108 N 0.63 0.52 0.00 2.37 3.64 -0.73 -1.91 116.57 121.09 3cnu h LYS 108 Ca 0.13 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3cnu h LYS 108 Cb 0.40 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3cnu h LYS 108 CO 0.02 0.35 -0.09 0.87 -2.27 0.00 0.00 179.45 178.32 3cnu h LYS 109 N 0.54 0.00 -0.03 1.90 1.57 -1.38 -3.51 116.57 115.66 3cnu h LYS 109 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3cnu h LYS 109 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3cnu h LYS 109 CO -0.39 0.09 0.00 1.19 -0.57 0.00 0.00 179.45 179.77