#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6b h THR 2 N 0.00 0.83 -0.47 5.53 2.02 -1.30 -1.38 112.91 118.14 1s6b h THR 2 Ca 0.00 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1s6b h THR 2 Cb 0.00 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1s6b h THR 2 CO 0.00 0.06 -0.05 1.88 0.37 0.00 0.00 175.52 177.79 1s6b h TYR 3 N 0.34 0.96 -0.60 3.16 0.05 -1.99 -1.48 116.97 117.41 1s6b h TYR 3 Ca 0.30 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 1s6b h TYR 3 Cb 0.73 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1s6b h TYR 3 CO -0.00 0.92 0.09 1.96 -1.05 0.00 0.00 178.16 180.09 1s6b h GLN 4 N 0.72 0.99 -0.69 4.88 4.20 -1.73 -1.96 115.11 121.51 1s6b h GLN 4 Ca 0.13 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1s6b h GLN 4 Cb 0.57 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1s6b h GLN 4 CO 0.03 0.94 0.19 0.35 -0.67 0.00 0.00 178.83 179.67 1s6b h PHE 5 N 0.89 1.13 -0.41 2.96 3.57 -1.09 -0.04 116.94 123.95 1s6b h PHE 5 Ca 0.18 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1s6b h PHE 5 Cb 0.43 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1s6b h PHE 5 CO 0.03 0.91 0.21 -0.22 -2.23 0.00 0.00 178.31 177.01 1s6b h LYS 6 N 1.04 0.42 -0.63 1.11 3.64 -1.02 -1.48 116.57 119.64 1s6b h LYS 6 Ca 0.22 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1s6b h LYS 6 Cb 0.33 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1s6b h LYS 6 CO -0.00 0.28 0.28 -0.91 -2.27 0.00 0.00 179.45 176.82 1s6b h ASN 7 N 0.43 0.81 -0.58 4.20 2.35 -0.95 -0.46 115.58 121.38 1s6b h ASN 7 Ca 0.17 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1s6b h ASN 7 Cb 0.06 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1s6b h ASN 7 CO -0.11 0.71 0.20 0.24 -1.65 0.00 0.00 177.43 176.82 1s6b h MET 8 N 0.89 0.89 -0.63 0.81 2.86 -0.31 -1.88 114.93 117.58 1s6b h MET 8 Ca 0.22 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1s6b h MET 8 Cb 0.13 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1s6b h MET 8 CO -0.02 0.79 0.04 0.82 1.06 0.00 0.00 176.91 179.60 1s6b h ILE 9 N 0.82 1.26 -0.15 -1.22 2.04 -0.82 -1.86 117.51 117.59 1s6b h ILE 9 Ca 0.19 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 64.99 1s6b h ILE 9 Cb 0.25 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1s6b h ILE 9 CO -0.01 0.41 0.13 1.56 0.00 0.00 0.00 178.15 180.23 1s6b h GLN 10 N 0.99 0.00 0.02 2.37 4.20 -0.77 0.21 115.11 122.13 1s6b h GLN 10 Ca 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1s6b h GLN 10 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1s6b h GLN 10 CO 0.02 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.17 1s6b h THR 12 N -0.88 0.25 -2.10 0.00 1.35 -1.23 -3.38 112.91 106.91 1s6b h THR 12 Ca -0.00 -1.40 -0.58 0.00 -0.55 0.00 0.00 66.41 63.88 1s6b h THR 12 Cb 0.76 1.94 -0.41 0.00 -1.73 0.00 0.00 68.15 68.72 1s6b h THR 12 CO 0.00 0.14 -0.85 0.52 -0.25 0.00 0.00 175.52 175.09 1s6b n VAL 13 N -2.97 0.92 0.22 6.82 0.31 0.05 -4.65 118.33 119.03 1s6b n VAL 13 Ca 0.00 -4.66 0.08 0.00 -0.01 0.00 0.00 64.34 59.75 1s6b n VAL 13 Cb 0.62 -1.97 0.49 0.00 -0.91 0.00 0.00 33.84 32.08 1s6b n VAL 13 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1s6b h PRO 14 N 4.03 0.00 0.00 5.55 0.13 -1.71 -2.35 132.00 137.66 1s6b h PRO 14 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1s6b h PRO 14 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1s6b h PRO 14 CO 0.66 0.27 0.00 0.36 -0.23 0.00 0.00 178.00 179.05 1s6b n LYS 15 N -3.71 0.05 -4.20 0.86 2.85 -1.26 -4.86 118.16 107.90 1s6b n LYS 15 Ca -0.01 0.41 -0.16 0.00 -1.05 0.00 0.00 58.31 57.50 1s6b n LYS 15 Cb 0.38 -1.63 -0.11 0.00 -0.65 0.00 0.00 35.03 33.02 1s6b n LYS 15 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1s6b s ARG 17 N -3.13 0.90 0.54 -1.58 0.52 -0.88 -5.13 118.95 110.19 1s6b s ARG 17 Ca 0.03 -1.18 -0.20 0.00 -0.52 0.00 0.00 55.73 53.86 1s6b s ARG 17 Cb 0.06 -0.66 -0.05 0.00 0.52 0.00 0.00 34.95 34.81 1s6b s ARG 17 CO 0.20 0.11 1.18 0.45 0.02 0.00 0.00 175.30 177.26 1s6b s SER 18 N -2.43 5.64 0.49 0.23 0.15 -1.26 -4.88 113.70 111.64 1s6b s SER 18 Ca 0.06 2.31 0.22 0.00 0.70 0.00 0.00 55.95 59.25 1s6b s SER 18 Cb -0.04 -2.60 1.26 0.00 -1.71 0.00 0.00 66.02 62.94 1s6b s SER 18 CO 0.01 -1.28 2.03 4.11 1.20 0.00 0.00 173.24 179.31 1s6b h TRP 19 N 1.33 0.00 0.00 3.44 0.09 -1.94 -1.32 115.95 117.55 1s6b h TRP 19 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.47 1s6b h TRP 19 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.51 1s6b h TRP 19 CO 0.50 0.16 -0.06 -1.49 0.09 0.00 0.00 178.44 177.64 1s6b h TRP 20 N 0.00 0.00 0.00 0.12 4.06 -1.98 -0.22 115.95 117.93 1s6b h TRP 20 Ca -0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1s6b h TRP 20 Cb 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 1s6b h TRP 20 CO 0.00 0.06 -0.05 -0.44 -3.56 0.00 0.00 178.44 174.45 1s6b h ASP 21 N 0.00 0.00 0.35 -3.49 5.19 -1.61 -2.37 116.42 114.49 1s6b h ASP 21 Ca -0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1s6b h ASP 21 Cb 0.12 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 1s6b h ASP 21 CO 0.01 0.05 -1.89 0.49 -3.12 0.00 0.00 179.24 174.77 1s6b n PHE 22 N -4.35 0.64 0.23 4.55 3.72 -0.16 -4.37 117.46 117.73 1s6b n PHE 22 Ca -0.03 0.23 0.12 0.00 -0.05 0.00 0.00 57.45 57.72 1s6b n PHE 22 Cb 0.13 -1.09 0.59 0.00 -0.94 0.00 0.00 39.48 38.17 1s6b n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s6b h ALA 23 N 1.10 1.00 -0.47 4.37 0.00 -0.82 -2.54 119.26 121.90 1s6b h ALA 23 Ca -0.34 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1s6b h ALA 23 Cb 1.98 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 19.38 1s6b h ALA 23 CO 0.06 0.00 -1.12 -3.47 0.00 0.00 0.00 179.25 174.71 1s6b n ASP 24 N -2.29 1.54 -4.75 0.00 2.03 -1.24 -3.59 116.55 108.25 1s6b n ASP 24 Ca -0.01 -2.07 -0.36 0.00 0.52 0.00 0.00 54.79 52.88 1s6b n ASP 24 Cb 0.09 -0.48 -0.08 0.00 -0.72 0.00 0.00 41.12 39.93 1s6b n ASP 24 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1s6b s TYR 25 N -3.73 3.42 0.00 -0.67 6.14 -0.96 0.12 117.35 121.67 1s6b s TYR 25 Ca 0.27 0.33 0.00 0.00 0.64 0.00 0.00 57.07 58.31 1s6b s TYR 25 Cb 0.33 -2.03 0.00 0.00 0.42 0.00 0.00 41.96 40.68 1s6b s TYR 25 CO -0.03 0.43 0.00 0.41 0.64 0.00 0.00 175.55 176.99 1s6b n GLY 26 N 2.88 -0.21 0.06 8.97 0.00 0.33 -1.63 105.19 115.59 1s6b n GLY 26 Ca -0.18 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 44.94 1s6b n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6b n TYR 28 N -1.98 0.00 0.10 0.00 4.02 -1.25 -0.05 117.16 118.00 1s6b n TYR 28 Ca 0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.90 1s6b n TYR 28 Cb 0.41 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.87 1s6b n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s6b n GLY 30 N 0.25 0.96 3.90 0.00 0.00 -1.24 -4.71 105.19 104.36 1s6b n GLY 30 Ca -0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1s6b n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6b s ARG 31 N 0.54 3.16 0.33 1.61 0.52 -1.26 -4.52 118.95 119.33 1s6b s ARG 31 Ca 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1s6b s ARG 31 Cb 0.00 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1s6b s ARG 31 CO 0.00 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.10 1s6b n GLY 32 N -2.62 1.33 2.04 -3.53 0.00 -1.26 -4.28 105.19 96.87 1s6b n GLY 32 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 1s6b n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6b n GLY 33 N 0.00 0.47 3.60 -0.02 0.00 0.93 -5.01 105.19 105.16 1s6b n GLY 33 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1s6b n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s6b s SER 34 N -2.64 0.08 0.00 1.61 1.04 -1.24 -4.99 113.70 107.57 1s6b s SER 34 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1s6b s SER 34 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1s6b s SER 34 CO 0.00 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1s6b n GLY 35 N -0.43 -2.40 3.69 7.32 0.00 -1.23 -4.80 105.19 107.33 1s6b n GLY 35 Ca -0.02 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1s6b n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6b s THR 36 N -0.27 4.93 0.19 2.61 2.01 -1.26 -5.00 115.64 118.84 1s6b s THR 36 Ca 0.00 1.63 -0.33 0.00 0.31 0.00 0.00 61.69 63.30 1s6b s THR 36 Cb 0.00 -4.13 -0.14 0.00 0.01 0.00 0.00 72.50 68.24 1s6b s THR 36 CO 0.00 0.10 1.45 -2.65 -0.69 0.00 0.00 174.62 172.84 1s6b n PRO 37 N 4.69 1.95 0.22 4.92 -0.02 -1.26 -4.83 135.00 140.67 1s6b n PRO 37 Ca 0.03 0.70 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 1s6b n PRO 37 Cb 0.50 -2.39 0.31 0.00 -0.02 0.00 0.00 33.50 31.90 1s6b n PRO 37 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1s6b h ILE 38 N 3.27 0.21 -2.19 4.25 3.07 -1.94 -3.47 117.51 120.72 1s6b h ILE 38 Ca -0.45 -1.09 0.03 0.00 1.55 0.00 0.00 64.86 64.89 1s6b h ILE 38 Cb 1.28 1.92 -0.00 0.00 -0.27 0.00 0.00 36.82 39.74 1s6b h ILE 38 CO 0.81 0.11 0.18 -0.90 -1.05 0.00 0.00 178.15 177.30 1s6b n ASP 39 N -3.16 -0.83 -0.19 2.16 5.68 -1.26 -5.02 116.55 113.93 1s6b n ASP 39 Ca 0.02 -1.51 -0.05 0.00 -0.50 0.00 0.00 54.79 52.75 1s6b n ASP 39 Cb 0.50 1.37 0.11 0.00 -1.14 0.00 0.00 41.12 41.96 1s6b n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1s6b h ASP 40 N 0.82 0.93 -0.41 -1.12 3.32 -1.92 -1.46 116.42 116.58 1s6b h ASP 40 Ca -0.13 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1s6b h ASP 40 Cb 0.50 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1s6b h ASP 40 CO 0.16 0.92 0.20 0.25 -1.72 0.00 0.00 179.24 179.05 1s6b h LEU 41 N 0.93 0.54 -1.35 1.55 5.85 -1.90 -0.81 115.31 120.12 1s6b h LEU 41 Ca 0.19 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1s6b h LEU 41 Cb 0.37 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1s6b h LEU 41 CO 0.01 0.51 0.17 -0.78 -0.34 0.00 0.00 178.44 178.01 1s6b h ASP 42 N 0.53 0.55 -0.58 1.25 3.58 -1.87 -1.43 116.42 118.45 1s6b h ASP 42 Ca 0.14 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 1s6b h ASP 42 Cb 0.11 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1s6b h ASP 42 CO -0.02 0.51 0.12 -0.09 -2.88 0.00 0.00 179.24 176.88 1s6b h ARG 43 N 0.61 0.98 -0.72 0.28 2.43 -0.49 -0.38 114.38 117.09 1s6b h ARG 43 Ca 0.15 -0.23 0.15 0.00 -0.81 0.00 0.00 59.98 59.24 1s6b h ARG 43 Cb 0.13 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.45 1s6b h ARG 43 CO -0.01 0.89 0.21 0.00 -1.51 0.00 0.00 179.97 179.55 1s6b h GLN 46 N 0.56 0.60 -0.66 0.00 4.15 -0.44 -0.97 115.11 118.36 1s6b h GLN 46 Ca 0.06 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1s6b h GLN 46 Cb 0.85 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 1s6b h GLN 46 CO 0.07 0.45 0.30 0.28 -1.93 0.00 0.00 178.83 178.00 1s6b h VAL 47 N 0.58 1.22 -0.54 2.39 2.07 -1.16 -0.28 116.25 120.53 1s6b h VAL 47 Ca 0.16 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1s6b h VAL 47 Cb 0.00 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1s6b h VAL 47 CO -0.03 0.26 0.04 -0.74 0.02 0.00 0.00 177.57 177.12 1s6b h HIS 48 N 0.93 1.00 -0.48 1.57 -0.00 -0.97 0.27 115.15 117.48 1s6b h HIS 48 Ca 0.23 -0.16 -0.05 0.00 -0.00 0.00 0.00 60.37 60.39 1s6b h HIS 48 Cb 0.12 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 1s6b h HIS 48 CO 0.01 0.91 0.11 -0.44 -0.00 0.00 0.00 177.93 178.52 1s6b h ASP 49 N 0.81 0.73 -0.63 3.26 5.19 -0.79 -0.57 116.42 124.42 1s6b h ASP 49 Ca 0.16 -0.23 -0.06 0.00 -0.62 0.00 0.00 57.03 56.27 1s6b h ASP 49 Cb 0.48 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1s6b h ASP 49 CO 0.02 0.78 0.16 0.78 -3.12 0.00 0.00 179.24 177.86 1s6b h ASN 50 N 0.66 0.98 -0.50 6.45 2.35 -0.66 -0.71 115.58 124.14 1s6b h ASN 50 Ca 0.15 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1s6b h ASN 50 Cb 0.33 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1s6b h ASN 50 CO 0.00 0.94 0.26 0.00 -1.65 0.00 0.00 177.43 176.98 1s6b h TYR 52 N 0.66 0.98 -0.78 0.00 -1.99 -0.79 -1.03 116.97 114.01 1s6b h TYR 52 Ca 0.17 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 1s6b h TYR 52 Cb 0.08 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.47 1s6b h TYR 52 CO -0.01 0.72 0.29 -0.91 -0.00 0.00 0.00 178.16 178.25 1s6b h ASN 53 N 0.97 1.10 -0.35 3.88 2.35 -0.62 -0.17 115.58 122.73 1s6b h ASN 53 Ca 0.24 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1s6b h ASN 53 Cb 0.12 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1s6b h ASN 53 CO -0.03 0.99 0.11 0.28 -1.65 0.00 0.00 177.43 177.13 1s6b h SER 54 N 1.15 0.51 -0.87 5.81 0.02 -1.04 -3.09 113.55 116.04 1s6b h SER 54 Ca 0.26 -0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1s6b h SER 54 Cb 0.25 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 1s6b h SER 54 CO -0.02 0.58 0.56 0.00 -1.14 0.00 0.00 176.83 176.82 1s6b h ALA 55 N 0.95 1.56 0.00 3.77 0.00 -0.42 -2.52 119.26 122.61 1s6b h ALA 55 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s6b h ALA 55 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s6b h ALA 55 CO -0.00 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1s6b h ARG 56 N 0.96 0.00 -0.77 0.00 3.08 -0.97 -2.17 114.38 114.51 1s6b h ARG 56 Ca 0.37 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1s6b h ARG 56 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1s6b h ARG 56 CO -0.14 0.00 0.40 0.93 -1.07 0.00 0.00 179.97 180.10 1s6b h GLU 57 N 0.00 1.07 -6.20 0.04 5.08 -1.52 -3.40 114.58 109.65 1s6b h GLU 57 Ca 0.00 -0.13 -0.56 0.00 -1.00 0.00 0.00 59.36 57.67 1s6b h GLU 57 Cb 0.32 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1s6b h GLU 57 CO 0.00 0.80 1.29 -0.65 -1.00 0.00 0.00 179.01 179.45 1s6b s GLN 58 N -5.68 3.66 0.34 2.33 -0.21 -0.82 -4.90 119.66 114.37 1s6b s GLN 58 Ca -0.11 2.07 -0.28 0.00 0.02 0.00 0.00 55.36 57.05 1s6b s GLN 58 Cb 0.17 -4.19 -0.10 0.00 1.00 0.00 0.00 33.01 29.88 1s6b s GLN 58 CO 0.81 -1.49 1.30 0.20 -2.12 0.00 0.00 175.29 174.00 1s6b s GLY 59 N 5.74 2.99 0.00 3.09 0.00 -1.26 -1.18 107.32 116.70 1s6b s GLY 59 Ca 0.87 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.84 1s6b s GLY 59 CO 0.35 1.89 0.00 0.61 0.00 0.00 0.00 173.10 175.95 1s6b n GLY 60 N 0.78 2.33 3.56 0.20 0.00 -1.26 -5.00 105.19 105.81 1s6b n GLY 60 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s6b n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6b s ARG 62 N 4.82 2.13 0.36 0.00 0.52 -1.26 -4.28 118.95 121.24 1s6b s ARG 62 Ca 0.39 -2.16 0.14 0.00 -0.52 0.00 0.00 55.73 53.59 1s6b s ARG 62 Cb -0.09 -3.56 1.00 0.00 0.52 0.00 0.00 34.95 32.82 1s6b s ARG 62 CO 0.23 -1.10 1.76 -1.35 0.02 0.00 0.00 175.30 174.86 1s6b h PRO 63 N 7.48 0.48 0.00 3.54 0.11 -1.93 0.31 132.00 141.99 1s6b h PRO 63 Ca -0.08 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 1s6b h PRO 63 Cb 0.99 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1s6b h PRO 63 CO 0.68 0.32 -0.22 0.87 -0.21 0.00 0.00 178.00 179.44 1s6b h LYS 64 N 0.49 0.00 0.00 1.05 1.79 -1.94 -3.31 116.57 114.66 1s6b h LYS 64 Ca 0.61 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 1s6b h LYS 64 Cb 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1s6b h LYS 64 CO -0.36 0.22 -0.95 1.04 -1.08 0.00 0.00 179.45 178.31 1s6b n GLN 65 N -3.37 2.06 -2.41 3.15 1.13 -0.24 -1.00 117.38 116.70 1s6b n GLN 65 Ca 0.00 -0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.59 1s6b n GLN 65 Cb 0.43 -1.10 -0.02 0.00 0.11 0.00 0.00 30.24 29.66 1s6b n GLN 65 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1s6b s LYS 66 N -2.30 4.29 -0.07 -1.09 2.47 -0.07 -4.67 119.74 118.29 1s6b s LYS 66 Ca 0.00 1.71 -0.23 0.00 -1.56 0.00 0.00 55.97 55.89 1s6b s LYS 66 Cb 0.07 -3.66 -0.04 0.00 -1.46 0.00 0.00 37.83 32.74 1s6b s LYS 66 CO 0.41 -0.58 0.67 0.99 0.16 0.00 0.00 175.35 177.00 1s6b s THR 67 N 2.84 5.06 0.50 3.43 2.01 -1.26 0.17 115.64 128.39 1s6b s THR 67 Ca 0.57 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.95 1s6b s THR 67 Cb -0.24 -4.01 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 1s6b s THR 67 CO 0.19 0.26 0.02 0.00 -0.69 0.00 0.00 174.62 174.40 1s6b n TYR 68 N 3.78 1.05 -4.20 4.92 0.18 -1.26 -4.85 117.16 116.78 1s6b n TYR 68 Ca -0.02 -2.52 -0.34 0.00 1.88 0.00 0.00 57.90 56.90 1s6b n TYR 68 Cb 0.51 -0.29 -0.14 0.00 -0.38 0.00 0.00 39.34 39.04 1s6b n TYR 68 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1s6b s SER 69 N -3.76 4.27 0.22 9.48 0.01 -1.26 -4.95 113.70 117.72 1s6b s SER 69 Ca 0.03 -0.34 -0.12 0.00 1.31 0.00 0.00 55.95 56.82 1s6b s SER 69 Cb 0.00 -1.71 -0.00 0.00 0.21 0.00 0.00 66.02 64.52 1s6b s SER 69 CO 0.02 0.05 0.43 -0.72 0.41 0.00 0.00 173.24 173.44 1s6b s TYR 70 N 1.04 0.31 0.01 2.43 1.13 -1.26 -1.52 117.35 119.48 1s6b s TYR 70 Ca 0.00 -0.67 0.01 0.00 -1.41 0.00 0.00 57.07 55.00 1s6b s TYR 70 Cb -0.15 0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.85 1s6b s TYR 70 CO -0.00 -0.91 -0.03 -2.00 -2.51 0.00 0.00 175.55 170.09 1s6b s GLU 71 N -3.99 0.27 -0.34 -3.49 2.12 -0.21 -4.92 118.70 108.14 1s6b s GLU 71 Ca 0.19 -0.29 -0.01 0.00 0.36 0.00 0.00 54.97 55.23 1s6b s GLU 71 Cb 0.00 -0.15 0.08 0.00 0.26 0.00 0.00 34.13 34.32 1s6b s GLU 71 CO 0.05 0.03 0.06 0.00 -0.54 0.00 0.00 175.26 174.86 1s6b s LYS 73 N 1.14 2.21 0.00 0.00 2.47 -1.01 -4.76 119.74 119.78 1s6b s LYS 73 Ca 0.02 -0.54 0.00 0.00 -1.56 0.00 0.00 55.97 53.89 1s6b s LYS 73 Cb -0.21 -1.97 0.00 0.00 -1.46 0.00 0.00 37.83 34.20 1s6b s LYS 73 CO -0.04 -0.15 0.00 0.00 0.16 0.00 0.00 175.35 175.32 1s6b n ALA 74 N 4.50 0.00 0.00 3.13 0.00 -1.26 -0.21 120.51 126.67 1s6b n ALA 74 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1s6b n ALA 74 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1s6b n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6b n GLY 75 N -1.00 -0.69 3.27 0.00 0.00 -1.26 -5.09 105.19 100.41 1s6b n GLY 75 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1s6b n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6b s THR 76 N -0.28 3.89 0.19 2.61 -4.23 0.70 -4.61 115.64 113.91 1s6b s THR 76 Ca 0.00 -1.25 -0.30 0.00 -1.18 0.00 0.00 61.69 58.96 1s6b s THR 76 Cb 0.00 -3.27 -0.08 0.00 1.34 0.00 0.00 72.50 70.49 1s6b s THR 76 CO 0.00 -0.29 1.12 -0.76 -0.54 0.00 0.00 174.62 174.14 1s6b s LEU 77 N 1.40 4.49 -0.03 4.79 1.43 -1.26 -2.41 118.68 127.08 1s6b s LEU 77 Ca 0.00 2.13 0.01 0.00 -1.03 0.00 0.00 54.13 55.25 1s6b s LEU 77 Cb -0.21 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.42 1s6b s LEU 77 CO 0.02 -0.24 -0.05 -0.44 0.23 0.00 0.00 176.35 175.87 1s6b s SER 78 N -0.14 0.93 -0.13 2.29 0.01 -0.61 -4.99 113.70 111.06 1s6b s SER 78 Ca 0.49 -0.13 -0.20 0.00 1.31 0.00 0.00 55.95 57.42 1s6b s SER 78 Cb -0.30 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 1s6b s SER 78 CO 0.36 -0.01 0.58 0.00 0.41 0.00 0.00 173.24 174.58 1s6b s SER 80 N 0.84 4.43 0.00 0.00 0.01 -0.58 -4.96 113.70 113.44 1s6b s SER 80 Ca 0.30 1.60 0.31 0.00 1.31 0.00 0.00 55.95 59.47 1s6b s SER 80 Cb -0.16 -2.34 1.64 0.00 0.21 0.00 0.00 66.02 65.37 1s6b s SER 80 CO 0.13 -2.05 2.09 0.61 0.41 0.00 0.00 173.24 174.43 1s6b n GLY 81 N -1.52 -0.96 0.18 3.44 0.00 -1.26 -3.57 105.19 101.50 1s6b n GLY 81 Ca 0.08 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1s6b n GLY 81 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s6b h SER 82 N 0.32 0.43 -1.61 1.61 4.64 -1.93 -3.47 113.55 113.54 1s6b h SER 82 Ca 0.00 -0.26 -0.70 0.00 -0.47 0.00 0.00 61.79 60.37 1s6b h SER 82 Cb 0.17 -0.12 0.05 0.00 -0.31 0.00 0.00 62.40 62.18 1s6b h SER 82 CO 0.00 0.96 0.48 0.59 -0.87 0.00 0.00 176.83 177.99 1s6b n ASN 83 N -3.87 1.60 -2.85 4.97 3.02 -1.23 -5.01 115.26 111.88 1s6b n ASN 83 Ca -0.03 1.12 -0.10 0.00 -0.03 0.00 0.00 54.58 55.53 1s6b n ASN 83 Cb 0.65 -1.16 0.08 0.00 -0.61 0.00 0.00 39.78 38.75 1s6b n ASN 83 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1s6b n ASN 84 N 2.78 -1.33 0.03 6.41 0.23 -1.26 -4.39 115.26 117.73 1s6b n ASN 84 Ca 0.20 -0.74 -0.12 0.00 -0.53 0.00 0.00 54.58 53.39 1s6b n ASN 84 Cb 0.17 -0.34 -0.08 0.00 -2.08 0.00 0.00 39.78 37.46 1s6b n ASN 84 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1s6b h SER 85 N -1.56 -0.01 0.11 0.53 0.87 -1.99 0.19 113.55 111.69 1s6b h SER 85 Ca -0.14 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1s6b h SER 85 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1s6b h SER 85 CO 0.09 0.11 -0.05 0.00 -0.53 0.00 0.00 176.83 176.45 1s6b h ALA 87 N 0.66 0.27 -0.54 0.00 0.00 -1.85 -0.24 119.26 117.56 1s6b h ALA 87 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1s6b h ALA 87 Cb 0.19 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1s6b h ALA 87 CO 0.02 -0.42 0.33 0.00 0.00 0.00 0.00 179.25 179.19 1s6b h ALA 88 N 1.29 0.69 -0.31 0.00 0.00 -0.51 0.37 119.26 120.80 1s6b h ALA 88 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1s6b h ALA 88 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1s6b h ALA 88 CO -0.28 0.06 0.03 1.15 0.00 0.00 0.00 179.25 180.21 1s6b h THR 89 N 0.66 1.25 -0.14 0.00 2.02 -0.92 -1.79 112.91 113.99 1s6b h THR 89 Ca 0.21 -0.88 -0.17 0.00 0.77 0.00 0.00 66.41 66.35 1s6b h THR 89 Cb -0.00 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1s6b h THR 89 CO -0.08 0.29 -0.62 0.58 0.37 0.00 0.00 175.52 176.05 1s6b h VAL 90 N 0.33 1.34 -0.52 3.16 2.07 -0.91 -1.73 116.25 119.99 1s6b h VAL 90 Ca 0.09 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 1s6b h VAL 90 Cb 0.39 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1s6b h VAL 90 CO 0.01 0.59 0.24 0.00 0.02 0.00 0.00 177.57 178.43 1s6b h ASP 92 N 0.70 0.76 -0.40 0.00 3.58 -1.01 0.11 116.42 120.17 1s6b h ASP 92 Ca 0.18 -0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.60 1s6b h ASP 92 Cb 0.13 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 40.93 1s6b h ASP 92 CO -0.02 0.64 0.04 0.00 -2.88 0.00 0.00 179.24 177.02 1s6b h ASP 94 N 0.16 0.36 0.01 0.00 3.32 -0.82 -1.62 116.42 117.83 1s6b h ASP 94 Ca 0.19 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1s6b h ASP 94 Cb 0.25 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1s6b h ASP 94 CO -0.28 0.47 -0.17 -0.09 -1.72 0.00 0.00 179.24 177.45 1s6b h ARG 95 N 0.23 -0.28 -0.84 3.56 2.43 -0.53 -0.47 114.38 118.48 1s6b h ARG 95 Ca 0.08 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1s6b h ARG 95 Cb 0.24 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1s6b h ARG 95 CO -0.00 -0.19 0.55 -0.07 -1.51 0.00 0.00 179.97 178.76 1s6b h LEU 96 N -0.29 0.95 -0.39 3.80 3.38 -1.13 -1.17 115.31 120.47 1s6b h LEU 96 Ca 0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1s6b h LEU 96 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1s6b h LEU 96 CO -0.16 0.68 -0.03 0.00 0.09 0.00 0.00 178.44 179.02 1s6b h ALA 97 N 1.32 0.53 -0.84 1.53 0.00 -1.05 -0.85 119.26 119.89 1s6b h ALA 97 Ca 0.31 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1s6b h ALA 97 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1s6b h ALA 97 CO -0.08 0.34 0.54 0.00 0.00 0.00 0.00 179.25 180.05 1s6b h ALA 98 N 0.86 1.06 -0.41 0.00 0.00 -0.74 0.12 119.26 120.15 1s6b h ALA 98 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1s6b h ALA 98 Cb 0.52 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1s6b h ALA 98 CO 0.03 0.48 0.18 0.82 0.00 0.00 0.00 179.25 180.76 1s6b h ILE 99 N 1.14 1.18 -0.85 0.00 2.04 -1.13 -2.82 117.51 117.07 1s6b h ILE 99 Ca 0.30 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1s6b h ILE 99 Cb -0.12 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1s6b h ILE 99 CO -0.06 0.20 0.52 0.00 0.00 0.00 0.00 178.15 178.81 1s6b h PHE 101 N 1.17 0.65 -0.46 0.00 -1.00 -0.67 -2.47 116.94 114.16 1s6b h PHE 101 Ca 0.31 0.02 0.01 0.00 2.81 0.00 0.00 57.97 61.11 1s6b h PHE 101 Cb -0.05 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 1s6b h PHE 101 CO -0.00 0.37 0.30 0.00 -1.61 0.00 0.00 178.31 177.37 1s6b h ALA 102 N 1.24 1.68 0.00 2.45 0.00 -1.22 -3.10 119.26 120.31 1s6b h ALA 102 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1s6b h ALA 102 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1s6b h ALA 102 CO -0.09 0.29 -0.47 0.41 0.00 0.00 0.00 179.25 179.39 1s6b n GLY 103 N -1.47 -1.36 3.86 0.00 0.00 -0.97 -4.91 105.19 100.34 1s6b n GLY 103 Ca 0.04 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1s6b n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6b s ALA 104 N -3.07 3.82 0.36 4.61 0.00 -0.97 -5.06 121.76 121.44 1s6b s ALA 104 Ca 0.09 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.26 1s6b s ALA 104 Cb 0.16 -2.10 -0.11 0.00 0.00 0.00 0.00 23.12 21.07 1s6b s ALA 104 CO 0.68 0.56 1.42 -2.14 0.00 0.00 0.00 175.76 176.29 1s6b s PRO 105 N -1.00 4.21 -0.27 0.00 0.02 -1.26 -4.88 135.00 131.81 1s6b s PRO 105 Ca 0.17 2.43 -0.11 0.00 0.02 0.00 0.00 61.00 63.51 1s6b s PRO 105 Cb -0.13 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1s6b s PRO 105 CO 0.07 -0.40 0.19 -0.47 -0.33 0.00 0.00 177.00 176.06 1s6b s TYR 106 N -1.09 3.24 -0.28 6.54 6.14 -1.26 -4.42 117.35 126.21 1s6b s TYR 106 Ca 0.51 0.15 -0.07 0.00 0.64 0.00 0.00 57.07 58.30 1s6b s TYR 106 Cb -0.44 -2.37 -0.01 0.00 0.42 0.00 0.00 41.96 39.56 1s6b s TYR 106 CO 0.59 -0.13 0.09 1.21 0.64 0.00 0.00 175.55 177.95 1s6b s ASN 107 N 1.65 5.19 0.54 4.32 3.84 -1.26 -4.98 114.94 124.24 1s6b s ASN 107 Ca 0.07 -0.50 0.27 0.00 0.21 0.00 0.00 52.86 52.91 1s6b s ASN 107 Cb -0.16 -1.92 1.44 0.00 -0.55 0.00 0.00 41.25 40.07 1s6b s ASN 107 CO 0.10 -0.14 1.97 0.44 -2.79 0.00 0.00 177.10 176.69 1s6b h ASP 108 N 8.26 0.00 0.50 -4.21 3.32 -1.98 0.71 116.42 123.01 1s6b h ASP 108 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1s6b h ASP 108 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1s6b h ASP 108 CO 0.60 0.00 0.00 0.78 -1.72 0.00 0.00 179.24 178.90 1s6b h ASN 109 N 0.00 0.00 -0.66 6.45 2.35 -2.03 -2.71 115.58 118.98 1s6b h ASN 109 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1s6b h ASN 109 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1s6b h ASN 109 CO -0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 1s6b n ASN 110 N -2.40 3.77 -4.77 5.81 3.02 0.24 -4.84 115.26 116.09 1s6b n ASN 110 Ca 0.01 -2.00 -0.38 0.00 -0.03 0.00 0.00 54.58 52.18 1s6b n ASN 110 Cb 0.17 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 1s6b n ASN 110 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1s6b s TYR 111 N -1.01 3.64 -1.32 3.10 5.04 -1.02 -0.51 117.35 125.27 1s6b s TYR 111 Ca 0.44 1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 56.06 1s6b s TYR 111 Cb 0.23 -2.47 -0.00 0.00 0.35 0.00 0.00 41.96 40.06 1s6b s TYR 111 CO 0.30 0.39 0.60 -1.71 -1.34 0.00 0.00 175.55 173.79 1s6b n ASN 112 N 2.72 -1.57 -4.85 4.32 5.15 0.12 -4.94 115.26 116.21 1s6b n ASN 112 Ca -0.10 -0.93 -0.31 0.00 -0.60 0.00 0.00 54.58 52.65 1s6b n ASN 112 Cb 0.52 -3.54 0.04 0.00 -0.53 0.00 0.00 39.78 36.27 1s6b n ASN 112 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1s6b s ILE 113 N -3.76 3.97 -0.75 -1.44 -4.36 -1.26 -4.93 121.20 108.68 1s6b s ILE 113 Ca 0.09 0.64 -0.26 0.00 -0.26 0.00 0.00 60.65 60.85 1s6b s ILE 113 Cb -0.03 -3.52 0.01 0.00 1.25 0.00 0.00 42.46 40.17 1s6b s ILE 113 CO 0.85 -0.84 1.54 -0.62 0.24 0.00 0.00 174.94 176.11 1s6b s ASP 114 N -4.07 5.84 0.26 4.36 -1.08 -1.26 -4.85 116.67 115.87 1s6b s ASP 114 Ca 0.58 -0.34 -0.04 0.00 -0.52 0.00 0.00 52.55 52.22 1s6b s ASP 114 Cb -0.12 -2.55 0.35 0.00 -1.46 0.00 0.00 42.92 39.13 1s6b s ASP 114 CO 0.54 -2.04 1.91 -0.07 0.52 0.00 0.00 175.17 176.02 1s6b h LEU 115 N 14.47 1.09 -0.93 -1.34 3.38 -1.93 -0.76 115.31 129.28 1s6b h LEU 115 Ca -0.18 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1s6b h LEU 115 Cb 1.08 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 1s6b h LEU 115 CO 1.27 0.74 0.62 0.50 0.09 0.00 0.00 178.44 181.66 1s6b h LYS 116 N 1.26 1.21 0.03 1.13 3.64 -1.95 0.45 116.57 122.34 1s6b h LYS 116 Ca 0.40 -0.07 -0.23 0.00 -1.27 0.00 0.00 60.65 59.48 1s6b h LYS 116 Cb 0.01 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 1s6b h LYS 116 CO -0.12 0.80 -1.07 0.00 -2.27 0.00 0.00 179.45 176.79 1s6b h ALA 117 N 1.35 0.29 -0.00 5.00 0.00 -1.83 -3.40 119.26 120.66 1s6b h ALA 117 Ca 0.35 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1s6b h ALA 117 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1s6b h ALA 117 CO -0.08 1.19 -0.40 0.54 0.00 0.00 0.00 179.25 180.49 1s6b n ARG 118 N -3.39 2.67 -0.20 0.00 1.74 -0.34 -4.60 116.66 112.54 1s6b n ARG 118 Ca -0.02 -0.31 0.09 0.00 -0.77 0.00 0.00 57.85 56.84 1s6b n ARG 118 Cb 0.96 -1.08 0.17 0.00 -1.02 0.00 0.00 32.46 31.48 1s6b n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11