#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6b h ARG 2 N 0.00 0.53 -0.85 -3.83 9.65 -1.36 -0.66 114.38 117.86 1s6b h ARG 2 Ca 0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1s6b h ARG 2 Cb 0.00 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 1s6b h ARG 2 CO 0.00 0.35 0.48 2.35 2.80 0.00 0.00 179.97 185.95 1s6b h TRP 3 N 0.54 1.15 -0.44 2.20 7.01 -1.98 -0.67 115.95 123.76 1s6b h TRP 3 Ca 0.62 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.52 1s6b h TRP 3 Cb 1.16 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 1s6b h TRP 3 CO -0.04 0.79 -0.06 1.96 -2.79 0.00 0.00 178.44 178.30 1s6b h GLN 4 N 1.18 0.76 -0.62 2.65 4.20 -1.62 0.04 115.11 121.70 1s6b h GLN 4 Ca 0.30 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1s6b h GLN 4 Cb 0.00 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1s6b h GLN 4 CO -0.05 0.81 0.26 0.35 -0.67 0.00 0.00 178.83 179.53 1s6b h PHE 5 N 0.70 0.92 -0.45 2.96 3.57 -0.46 0.21 116.94 124.39 1s6b h PHE 5 Ca 0.13 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1s6b h PHE 5 Cb 0.51 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1s6b h PHE 5 CO 0.03 0.72 0.24 0.87 -2.23 0.00 0.00 178.31 177.94 1s6b h LYS 6 N 0.86 0.47 -0.36 1.11 1.57 -0.62 -1.15 116.57 118.44 1s6b h LYS 6 Ca 0.21 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1s6b h LYS 6 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1s6b h LYS 6 CO -0.02 0.31 0.04 -0.91 -0.57 0.00 0.00 179.45 178.30 1s6b h ASN 7 N 0.48 0.50 -0.36 0.86 2.35 -0.39 -1.16 115.58 117.87 1s6b h ASN 7 Ca 0.19 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1s6b h ASN 7 Cb 0.07 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1s6b h ASN 7 CO -0.12 0.55 -0.05 0.24 -1.65 0.00 0.00 177.43 176.40 1s6b h MET 8 N 0.53 0.76 -0.24 0.81 2.86 0.11 0.72 114.93 120.48 1s6b h MET 8 Ca 0.12 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 1s6b h MET 8 Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1s6b h MET 8 CO 0.00 0.81 -0.30 0.82 1.06 0.00 0.00 176.91 179.30 1s6b h ILE 9 N 0.71 1.28 -0.02 -1.22 2.04 -0.51 -1.70 117.51 118.09 1s6b h ILE 9 Ca 0.13 -1.36 -0.15 0.00 1.00 0.00 0.00 64.86 64.48 1s6b h ILE 9 Cb 0.51 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1s6b h ILE 9 CO 0.03 0.43 -0.67 0.77 0.00 0.00 0.00 178.15 178.70 1s6b h SER 10 N 0.42 0.11 -0.16 1.72 4.64 -0.70 0.27 113.55 119.84 1s6b h SER 10 Ca 0.05 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1s6b h SER 10 Cb 0.73 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1s6b h SER 10 CO 0.06 0.75 0.09 0.00 -0.87 0.00 0.00 176.83 176.85 1s6b n THR 12 N -4.91 1.10 -3.23 0.00 -2.24 -0.68 -4.44 114.28 99.88 1s6b n THR 12 Ca -0.04 -0.67 -0.24 0.00 -2.27 0.00 0.00 64.05 60.83 1s6b n THR 12 Cb 0.08 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 67.57 1s6b n THR 12 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1s6b n VAL 13 N -2.86 0.65 0.48 2.28 0.31 0.92 -4.78 118.33 115.35 1s6b n VAL 13 Ca -0.08 -4.62 0.09 0.00 -0.01 0.00 0.00 64.34 59.72 1s6b n VAL 13 Cb 0.79 -1.65 0.37 0.00 -0.91 0.00 0.00 33.84 32.45 1s6b n VAL 13 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1s6b n PRO 14 N 0.88 0.06 0.22 5.55 -0.04 -0.88 -2.01 135.00 138.79 1s6b n PRO 14 Ca 0.25 0.30 0.15 0.00 -0.04 0.00 0.00 63.50 64.16 1s6b n PRO 14 Cb 0.50 -1.62 0.63 0.00 -0.04 0.00 0.00 33.50 32.98 1s6b n PRO 14 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s6b h SER 15 N 0.00 0.00 -2.13 3.54 4.64 -1.93 -3.46 113.55 114.21 1s6b h SER 15 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1s6b h SER 15 Cb 0.30 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.25 1s6b h SER 15 CO 0.00 0.00 -0.73 -0.13 -0.87 0.00 0.00 176.83 175.10 1s6b s ARG 17 N -3.55 1.76 0.22 4.77 0.52 -0.85 -5.13 118.95 116.68 1s6b s ARG 17 Ca 0.02 -1.79 -0.18 0.00 -0.52 0.00 0.00 55.73 53.26 1s6b s ARG 17 Cb 0.09 -1.78 -0.08 0.00 0.52 0.00 0.00 34.95 33.70 1s6b s ARG 17 CO 0.48 0.28 0.69 0.45 0.02 0.00 0.00 175.30 177.22 1s6b s SER 18 N -3.55 6.98 0.52 0.23 0.15 -1.26 -4.86 113.70 111.91 1s6b s SER 18 Ca 0.31 1.33 0.24 0.00 0.70 0.00 0.00 55.95 58.53 1s6b s SER 18 Cb -0.03 -2.39 1.36 0.00 -1.71 0.00 0.00 66.02 63.26 1s6b s SER 18 CO 0.16 0.02 2.00 4.11 1.20 0.00 0.00 173.24 180.73 1s6b h TRP 19 N 3.31 0.03 -0.21 3.44 5.08 -1.93 -1.01 115.95 124.67 1s6b h TRP 19 Ca -0.48 0.00 0.06 0.00 1.08 0.00 0.00 58.89 59.55 1s6b h TRP 19 Cb 1.19 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.33 1s6b h TRP 19 CO 0.64 0.01 0.20 -1.49 -1.28 0.00 0.00 178.44 176.52 1s6b h TRP 20 N 0.03 0.00 0.00 0.12 4.06 -1.99 0.15 115.95 118.31 1s6b h TRP 20 Ca 0.25 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 1s6b h TRP 20 Cb 0.94 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.10 1s6b h TRP 20 CO -0.00 0.00 -0.03 -0.44 -3.56 0.00 0.00 178.44 174.41 1s6b h ASP 21 N 0.00 0.00 -0.45 -3.49 3.32 -1.58 -2.02 116.42 112.20 1s6b h ASP 21 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1s6b h ASP 21 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1s6b h ASP 21 CO -0.00 0.03 0.00 0.49 -1.72 0.00 0.00 179.24 178.04 1s6b n PHE 22 N -4.01 0.60 0.56 4.55 3.01 0.51 -4.45 117.46 118.21 1s6b n PHE 22 Ca -0.03 -0.37 0.13 0.00 1.01 0.00 0.00 57.45 58.19 1s6b n PHE 22 Cb 0.12 -0.01 0.31 0.00 -0.01 0.00 0.00 39.48 39.89 1s6b n PHE 22 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s6b h ALA 23 N 3.64 0.88 -0.90 4.37 0.00 -1.21 -3.27 119.26 122.77 1s6b h ALA 23 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1s6b h ALA 23 Cb 0.88 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.50 1s6b h ALA 23 CO 0.00 0.00 -0.43 0.34 0.00 0.00 0.00 179.25 179.16 1s6b s ASP 24 N -4.65 -1.33 -0.03 0.00 -1.08 -1.18 -4.03 116.67 104.38 1s6b s ASP 24 Ca 0.09 -1.31 0.01 0.00 -0.52 0.00 0.00 52.55 50.82 1s6b s ASP 24 Cb 0.12 1.73 0.02 0.00 -1.46 0.00 0.00 42.92 43.33 1s6b s ASP 24 CO 0.64 -0.08 -0.03 -0.47 0.52 0.00 0.00 175.17 175.76 1s6b s TYR 25 N 1.18 0.48 0.00 -5.34 6.14 -0.83 -0.12 117.35 118.86 1s6b s TYR 25 Ca 0.25 -0.08 0.00 0.00 0.64 0.00 0.00 57.07 57.88 1s6b s TYR 25 Cb 0.00 -0.45 0.00 0.00 0.42 0.00 0.00 41.96 41.94 1s6b s TYR 25 CO -0.06 -0.11 0.00 0.41 0.64 0.00 0.00 175.55 176.42 1s6b n GLY 26 N 3.77 0.94 0.13 8.97 0.00 0.96 -1.15 105.19 118.81 1s6b n GLY 26 Ca -0.23 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.73 0.00 -2.70 0.00 4.02 -1.25 -3.40 117.16 111.11 1s6b n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1s6b n TYR 28 Cb 0.54 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.78 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 3.57 2.29 3.64 0.00 0.00 -1.23 -1.96 105.19 111.49 1s6b n GLY 30 Ca 0.11 -2.14 -0.47 0.00 0.00 0.00 0.00 46.02 43.52 1s6b n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6b n ARG 31 N -0.64 1.77 0.00 1.61 1.74 -1.26 -4.71 116.66 115.17 1s6b n ARG 31 Ca 0.00 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 1s6b n ARG 31 Cb 0.00 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 1s6b n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s6b n GLY 32 N 2.41 -2.20 0.00 -0.13 0.00 -1.26 -5.05 105.19 98.96 1s6b n GLY 32 Ca 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.50 3.37 3.65 -0.02 0.00 -1.26 -4.64 105.19 105.79 1s6b n GLY 33 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -0.19 0.02 1.61 1.04 -1.22 -5.00 113.70 109.97 1s6b s SER 34 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1s6b s SER 34 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1s6b s SER 34 CO 0.00 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1s6b n GLY 35 N -0.39 -1.78 3.68 7.32 0.00 -1.14 -4.72 105.19 108.17 1s6b n GLY 35 Ca -0.07 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 5.22 0.20 2.61 2.01 -1.26 -5.01 115.64 119.41 1s6b s THR 36 Ca 0.00 0.68 -0.32 0.00 0.31 0.00 0.00 61.69 62.36 1s6b s THR 36 Cb 0.00 -3.71 -0.14 0.00 0.01 0.00 0.00 72.50 68.66 1s6b s THR 36 CO 0.00 0.27 1.43 -2.65 -0.69 0.00 0.00 174.62 172.99 1s6b n PRO 37 N 4.33 1.94 0.19 4.92 -0.02 -1.26 -4.80 135.00 140.30 1s6b n PRO 37 Ca -0.09 0.70 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 1s6b n PRO 37 Cb 0.51 -2.37 0.21 0.00 -0.02 0.00 0.00 33.50 31.83 1s6b n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1s6b h VAL 38 N 3.20 0.00 -1.66 -1.45 -1.51 -1.95 -3.47 116.25 109.41 1s6b h VAL 38 Ca -0.45 -0.88 0.01 0.00 -1.23 0.00 0.00 66.70 64.16 1s6b h VAL 38 Cb 1.28 1.84 -0.00 0.00 -2.13 0.00 0.00 31.29 32.28 1s6b h VAL 38 CO 0.79 0.00 0.05 -0.90 -1.23 0.00 0.00 177.57 176.28 1s6b n ASP 39 N -2.88 -0.15 -0.10 4.19 5.68 -1.26 -5.01 116.55 117.03 1s6b n ASP 39 Ca 0.04 -1.08 -0.11 0.00 -0.50 0.00 0.00 54.79 53.15 1s6b n ASP 39 Cb 0.51 0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 40.69 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 0.16 0.50 -0.66 -1.12 5.19 -1.93 -1.74 116.42 116.82 1s6b h ASP 40 Ca -0.02 -0.30 0.06 0.00 -0.62 0.00 0.00 57.03 56.15 1s6b h ASP 40 Cb 0.10 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.42 1s6b h ASP 40 CO 0.03 0.67 0.37 0.25 -3.12 0.00 0.00 179.24 177.45 1s6b h LEU 41 N 0.31 0.56 -1.24 1.55 5.85 -1.91 -1.01 115.31 119.41 1s6b h LEU 41 Ca 0.08 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1s6b h LEU 41 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1s6b h LEU 41 CO 0.01 0.37 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.62 1s6b h ASP 42 N 0.70 0.39 -0.64 1.25 3.58 -1.87 -1.31 116.42 118.52 1s6b h ASP 42 Ca 0.29 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 1s6b h ASP 42 Cb 0.17 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1s6b h ASP 42 CO -0.17 0.52 0.15 0.03 -2.88 0.00 0.00 179.24 176.89 1s6b h ARG 43 N 0.39 1.06 -0.84 0.28 3.08 -0.30 -0.36 114.38 117.69 1s6b h ARG 43 Ca 0.08 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 59.95 1s6b h ARG 43 Cb 0.40 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1s6b h ARG 43 CO 0.02 0.94 0.51 0.00 -1.07 0.00 0.00 179.97 180.38 1s6b h GLN 46 N 0.57 0.70 -0.30 0.00 4.15 -0.76 0.20 115.11 119.67 1s6b h GLN 46 Ca 0.02 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1s6b h GLN 46 Cb 1.07 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 1s6b h GLN 46 CO 0.10 0.46 -0.26 0.28 -1.93 0.00 0.00 178.83 177.49 1s6b h VAL 47 N 0.72 1.27 -0.45 2.39 2.07 -1.02 -1.50 116.25 119.72 1s6b h VAL 47 Ca 0.21 -1.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1s6b h VAL 47 Cb -0.05 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1s6b h VAL 47 CO -0.06 0.43 0.03 -0.74 0.02 0.00 0.00 177.57 177.24 1s6b h HIS 48 N 0.51 0.85 -0.71 1.57 -0.00 -0.38 0.12 115.15 117.11 1s6b h HIS 48 Ca 0.07 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1s6b h HIS 48 Cb 0.71 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.87 1s6b h HIS 48 CO 0.03 0.81 0.33 -0.44 -0.00 0.00 0.00 177.93 178.66 1s6b h ASP 49 N 0.64 0.92 -0.63 3.26 3.32 -0.32 -0.34 116.42 123.27 1s6b h ASP 49 Ca 0.13 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1s6b h ASP 49 Cb 0.46 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1s6b h ASP 49 CO 0.02 0.79 0.22 0.78 -1.72 0.00 0.00 179.24 179.32 1s6b h ASN 50 N 1.01 0.89 -0.22 6.45 2.35 -0.98 -0.20 115.58 124.88 1s6b h ASN 50 Ca 0.25 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1s6b h ASN 50 Cb 0.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1s6b h ASN 50 CO -0.03 0.85 0.12 0.00 -1.65 0.00 0.00 177.43 176.72 1s6b h TYR 52 N 0.25 1.20 -0.60 0.00 -1.99 -0.89 0.49 116.97 115.43 1s6b h TYR 52 Ca 0.08 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.92 1s6b h TYR 52 Cb 0.06 -0.41 -0.06 0.00 2.00 0.00 0.00 36.73 38.32 1s6b h TYR 52 CO -0.04 0.76 0.26 -0.91 -0.00 0.00 0.00 178.16 178.23 1s6b h ASN 53 N 1.29 0.31 -0.44 3.88 4.21 -0.04 -0.30 115.58 124.50 1s6b h ASN 53 Ca 0.35 0.06 -0.13 0.00 1.21 0.00 0.00 56.30 57.78 1s6b h ASN 53 Cb -0.15 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1s6b h ASN 53 CO -0.07 0.19 -0.25 -0.33 -1.29 0.00 0.00 177.43 175.68 1s6b h GLU 54 N 0.47 0.94 -0.19 0.81 4.39 -0.66 -2.91 114.58 117.43 1s6b h GLU 54 Ca 0.29 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1s6b h GLU 54 Cb 0.31 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1s6b h GLU 54 CO -0.26 1.09 -0.02 0.00 -1.16 0.00 0.00 179.01 178.66 1s6b h ALA 55 N 0.83 1.61 0.00 3.43 0.00 -0.52 -2.21 119.26 122.40 1s6b h ALA 55 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s6b h ALA 55 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1s6b h ALA 55 CO 0.07 0.29 0.00 0.39 0.00 0.00 0.00 179.25 180.00 1s6b n GLU 56 N -4.36 0.11 0.27 0.00 1.02 -0.16 -1.46 120.64 116.07 1s6b n GLU 56 Ca -0.00 0.35 0.16 0.00 -0.02 0.00 0.00 57.16 57.66 1s6b n GLU 56 Cb 0.20 -1.72 0.64 0.00 -0.02 0.00 0.00 31.44 30.55 1s6b n GLU 56 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1s6b h LYS 57 N 0.00 0.00 -6.40 3.49 1.57 -1.39 -3.42 116.57 110.42 1s6b h LYS 57 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1s6b h LYS 57 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1s6b h LYS 57 CO 0.00 0.02 0.64 0.42 -0.57 0.00 0.00 179.45 179.97 1s6b s ILE 58 N -3.65 4.10 0.01 1.86 1.01 -0.54 -4.92 121.20 119.07 1s6b s ILE 58 Ca 0.01 1.47 -0.33 0.00 0.00 0.00 0.00 60.65 61.81 1s6b s ILE 58 Cb 0.09 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 1s6b s ILE 58 CO 0.56 0.06 1.85 -0.24 0.00 0.00 0.00 174.94 177.16 1s6b n SER 59 N 4.60 3.66 0.00 3.58 2.88 -1.26 -1.19 113.62 125.88 1s6b n SER 59 Ca 0.10 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1s6b n SER 59 Cb 0.46 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1s6b n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s6b n GLY 60 N 4.26 0.81 3.59 0.46 0.00 -1.26 -5.00 105.19 108.05 1s6b n GLY 60 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 ASN 62 N 2.01 4.93 0.47 0.00 0.01 -1.26 -4.52 114.94 116.59 1s6b s ASN 62 Ca 0.37 -2.58 0.22 0.00 -0.71 0.00 0.00 52.86 50.15 1s6b s ASN 62 Cb -0.11 -1.76 1.23 0.00 0.41 0.00 0.00 41.25 41.02 1s6b s ASN 62 CO 0.21 -0.38 1.92 -0.65 -1.51 0.00 0.00 177.10 176.69 1s6b h PRO 63 N 7.23 0.22 0.00 -0.60 0.11 -1.93 0.14 132.00 137.17 1s6b h PRO 63 Ca -0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1s6b h PRO 63 Cb 0.97 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1s6b h PRO 63 CO 0.67 0.15 -0.10 0.00 -0.21 0.00 0.00 178.00 178.50 1s6b h ARG 64 N 0.23 0.00 0.00 1.05 -0.00 -1.94 -3.34 114.38 110.38 1s6b h ARG 64 Ca 0.38 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.82 1s6b h ARG 64 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.10 1s6b h ARG 64 CO -0.08 0.10 -1.42 1.19 0.00 0.00 0.00 179.97 179.77 1s6b n PHE 65 N -3.17 0.00 -2.10 3.04 3.72 -0.01 -1.23 117.46 117.70 1s6b n PHE 65 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1s6b n PHE 65 Cb 0.46 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1s6b n PHE 65 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1s6b s ARG 66 N -2.48 4.19 -0.13 -1.08 6.06 0.27 -4.69 118.95 121.10 1s6b s ARG 66 Ca -0.03 2.07 -0.24 0.00 -2.50 0.00 0.00 55.73 55.03 1s6b s ARG 66 Cb 0.05 -3.93 -0.02 0.00 0.06 0.00 0.00 34.95 31.10 1s6b s ARG 66 CO 0.34 -0.81 0.75 0.99 -2.50 0.00 0.00 175.30 174.07 1s6b s THR 67 N 3.87 4.97 0.53 4.11 2.01 -1.26 0.61 115.64 130.47 1s6b s THR 67 Ca 0.69 1.49 0.05 0.00 0.31 0.00 0.00 61.69 64.23 1s6b s THR 67 Cb -0.31 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.16 1s6b s THR 67 CO 0.26 0.13 0.32 -0.72 -0.69 0.00 0.00 174.62 173.92 1s6b s TYR 68 N 1.59 1.74 -0.17 4.92 -0.85 -1.26 -4.89 117.35 118.42 1s6b s TYR 68 Ca 0.37 -0.84 -0.01 0.00 -0.52 0.00 0.00 57.07 56.06 1s6b s TYR 68 Cb -0.17 -1.87 -0.01 0.00 0.38 0.00 0.00 41.96 40.30 1s6b s TYR 68 CO 0.14 -0.31 -0.11 0.45 -1.52 0.00 0.00 175.55 174.21 1s6b s SER 69 N -4.19 3.97 0.26 -0.18 0.15 -1.26 -4.95 113.70 107.50 1s6b s SER 69 Ca 0.29 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.40 1s6b s SER 69 Cb -0.01 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1s6b s SER 69 CO 0.18 0.06 0.53 -0.72 1.20 0.00 0.00 173.24 174.49 1s6b s TYR 70 N 0.96 0.32 -0.02 3.44 1.13 -1.26 -1.79 117.35 120.13 1s6b s TYR 70 Ca -0.02 -0.70 0.03 0.00 -1.41 0.00 0.00 57.07 54.97 1s6b s TYR 70 Cb -0.15 0.28 -0.00 0.00 -1.10 0.00 0.00 41.96 40.99 1s6b s TYR 70 CO -0.01 -1.07 -0.10 -1.83 -2.51 0.00 0.00 175.55 170.04 1s6b s GLU 71 N -3.86 0.90 -0.32 -3.49 -1.05 0.11 -4.90 118.70 106.08 1s6b s GLU 71 Ca 0.21 -0.34 -0.07 0.00 -0.15 0.00 0.00 54.97 54.63 1s6b s GLU 71 Cb -0.02 -0.85 0.03 0.00 -0.44 0.00 0.00 34.13 32.85 1s6b s GLU 71 CO 0.10 0.17 0.10 0.00 0.95 0.00 0.00 175.26 176.57 1s6b s THR 73 N 1.45 1.89 -1.45 0.00 2.01 0.36 -4.83 115.64 115.07 1s6b s THR 73 Ca 0.00 -1.72 -0.05 0.00 0.31 0.00 0.00 61.69 60.23 1s6b s THR 73 Cb -0.19 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.15 1s6b s THR 73 CO 0.03 -0.30 0.62 0.00 -0.69 0.00 0.00 174.62 174.28 1s6b n ALA 74 N 4.48 -1.79 -0.79 7.40 0.00 -1.26 -1.31 120.51 127.25 1s6b n ALA 74 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1s6b n ALA 74 Cb 0.43 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.76 1.20 3.83 0.00 0.00 -1.26 -5.02 105.19 102.18 1s6b n GLY 75 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1s6b n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6b s THR 76 N -3.70 5.42 -0.14 2.61 2.01 -0.43 -4.72 115.64 116.69 1s6b s THR 76 Ca 0.00 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 1s6b s THR 76 Cb 0.00 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1s6b s THR 76 CO 0.00 0.57 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.72 1s6b s LEU 77 N -0.64 3.36 -0.06 4.42 1.43 -1.26 -0.48 118.68 125.45 1s6b s LEU 77 Ca 0.13 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1s6b s LEU 77 Cb -0.12 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1s6b s LEU 77 CO 0.02 0.21 -0.05 -0.89 0.23 0.00 0.00 176.35 175.87 1s6b s THR 78 N 0.12 0.65 -0.01 5.49 2.01 -0.32 -4.98 115.64 118.59 1s6b s THR 78 Ca 0.00 -0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1s6b s THR 78 Cb -0.13 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1s6b s THR 78 CO 0.02 0.26 0.83 0.00 -0.69 0.00 0.00 174.62 175.05 1s6b s THR 80 N 0.63 2.54 -0.23 0.00 -4.23 -0.74 -4.98 115.64 108.63 1s6b s THR 80 Ca 0.43 -0.07 0.28 0.00 -1.18 0.00 0.00 61.69 61.15 1s6b s THR 80 Cb -0.20 -3.12 0.33 0.00 1.34 0.00 0.00 72.50 70.85 1s6b s THR 80 CO 0.23 -0.14 1.83 1.23 -0.54 0.00 0.00 174.62 177.24 1s6b h GLY 81 N -0.67 0.00 -4.23 3.99 0.00 -1.96 -3.36 103.07 96.84 1s6b h GLY 81 Ca -0.45 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.44 1s6b h GLY 81 CO 0.62 0.00 0.35 -0.96 0.00 0.00 0.00 176.54 176.55 1s6b n ARG 82 N -2.71 2.23 -5.21 4.80 1.85 -1.26 -4.86 116.66 111.50 1s6b n ARG 82 Ca 0.02 -2.07 -0.32 0.00 -1.00 0.00 0.00 57.85 54.48 1s6b n ARG 82 Cb 0.31 -2.00 -0.16 0.00 -1.05 0.00 0.00 32.46 29.55 1s6b n ARG 82 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1s6b s ASN 83 N 0.41 3.21 1.14 2.89 0.01 -1.26 -4.71 114.94 116.63 1s6b s ASN 83 Ca 0.53 -0.46 -0.15 0.00 -0.71 0.00 0.00 52.86 52.06 1s6b s ASN 83 Cb 0.35 -0.79 0.22 0.00 0.41 0.00 0.00 41.25 41.44 1s6b s ASN 83 CO -0.15 0.26 0.90 -0.46 -1.51 0.00 0.00 177.10 176.14 1s6b n ASN 84 N 2.82 -1.35 -0.15 -1.22 6.94 -1.26 -4.56 115.26 116.49 1s6b n ASN 84 Ca -0.17 -1.11 -0.05 0.00 -0.02 0.00 0.00 54.58 53.22 1s6b n ASN 84 Cb 0.52 -0.79 0.04 0.00 -2.36 0.00 0.00 39.78 37.19 1s6b n ASN 84 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s6b h ALA 85 N -2.38 0.58 0.04 -2.53 0.00 -2.00 0.41 119.26 113.37 1s6b h ALA 85 Ca -0.32 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s6b h ALA 85 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1s6b h ALA 85 CO 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 179.25 179.34 1s6b h ALA 87 N 0.73 1.07 -0.49 0.00 0.00 -1.81 0.15 119.26 118.91 1s6b h ALA 87 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1s6b h ALA 87 Cb 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1s6b h ALA 87 CO 0.01 0.49 0.07 0.00 0.00 0.00 0.00 179.25 179.82 1s6b h ALA 88 N 1.30 0.65 -0.37 0.00 0.00 -0.85 0.13 119.26 120.11 1s6b h ALA 88 Ca 0.31 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1s6b h ALA 88 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1s6b h ALA 88 CO -0.06 0.40 -0.00 0.77 0.00 0.00 0.00 179.25 180.35 1s6b h SER 89 N 0.69 0.65 -0.28 0.00 0.02 -0.83 -1.82 113.55 111.98 1s6b h SER 89 Ca 0.15 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.68 1s6b h SER 89 Cb 0.41 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1s6b h SER 89 CO 0.01 0.80 -0.26 0.58 -1.14 0.00 0.00 176.83 176.82 1s6b h VAL 90 N 0.48 1.30 -0.41 2.27 2.07 -0.84 -1.84 116.25 119.30 1s6b h VAL 90 Ca 0.11 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.26 1s6b h VAL 90 Cb 0.47 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1s6b h VAL 90 CO 0.02 0.45 0.09 0.00 0.02 0.00 0.00 177.57 178.15 1s6b h ASP 92 N 0.22 0.95 -0.22 0.00 3.58 -1.13 0.39 116.42 120.20 1s6b h ASP 92 Ca 0.20 -0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.60 1s6b h ASP 92 Cb 0.23 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 1s6b h ASP 92 CO -0.25 0.77 -0.07 0.00 -2.88 0.00 0.00 179.24 176.81 1s6b h ASP 94 N -0.03 0.88 -0.12 0.00 3.32 -0.92 -1.06 116.42 118.50 1s6b h ASP 94 Ca 0.11 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1s6b h ASP 94 Cb 0.20 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1s6b h ASP 94 CO -0.25 0.85 0.04 -0.09 -1.72 0.00 0.00 179.24 178.08 1s6b h ARG 95 N 0.85 0.19 -0.44 3.56 2.43 -0.72 -0.82 114.38 119.43 1s6b h ARG 95 Ca 0.19 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1s6b h ARG 95 Cb 0.30 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1s6b h ARG 95 CO -0.01 0.32 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.66 1s6b h LEU 96 N 0.02 0.71 -0.38 3.80 3.38 -1.07 -1.83 115.31 119.94 1s6b h LEU 96 Ca 0.04 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1s6b h LEU 96 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1s6b h LEU 96 CO -0.00 0.80 -0.18 0.00 0.09 0.00 0.00 178.44 179.15 1s6b h ALA 97 N 1.27 0.53 -0.32 1.53 0.00 -0.98 -0.32 119.26 120.98 1s6b h ALA 97 Ca 0.13 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1s6b h ALA 97 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1s6b h ALA 97 CO 0.02 0.47 -0.11 0.00 0.00 0.00 0.00 179.25 179.64 1s6b h ALA 98 N 0.80 1.21 -0.25 0.00 0.00 -0.83 0.16 119.26 120.36 1s6b h ALA 98 Ca 0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1s6b h ALA 98 Cb 0.73 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1s6b h ALA 98 CO 0.05 0.51 -0.23 0.82 0.00 0.00 0.00 179.25 180.40 1s6b h ILE 99 N 0.50 1.31 -0.49 0.00 1.08 -1.22 -2.10 117.51 116.60 1s6b h ILE 99 Ca 0.09 -1.39 0.03 0.00 -0.39 0.00 0.00 64.86 63.20 1s6b h ILE 99 Cb 0.49 1.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 1s6b h ILE 99 CO 0.03 0.43 0.28 0.00 -0.69 0.00 0.00 178.15 178.20 1s6b h PHE 101 N 0.55 1.10 0.00 0.00 -1.00 -0.60 -1.55 116.94 115.44 1s6b h PHE 101 Ca 0.20 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.00 1s6b h PHE 101 Cb 0.05 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.24 1s6b h PHE 101 CO -0.08 0.70 0.00 0.00 -1.61 0.00 0.00 178.31 177.32 1s6b h ALA 102 N 1.31 1.00 0.00 2.45 0.00 -0.96 -2.16 119.26 120.90 1s6b h ALA 102 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1s6b h ALA 102 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1s6b h ALA 102 CO -0.07 0.00 -0.99 0.41 0.00 0.00 0.00 179.25 178.60 1s6b n GLY 103 N -0.55 -1.20 3.86 0.00 0.00 -0.61 -4.97 105.19 101.72 1s6b n GLY 103 Ca -0.01 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.17 3.78 0.25 4.61 0.00 -0.82 -5.05 121.76 121.36 1s6b s ALA 104 Ca 0.04 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 1s6b s ALA 104 Cb 0.15 -2.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 1s6b s ALA 104 CO 0.80 0.56 1.29 -2.14 0.00 0.00 0.00 175.76 176.27 1s6b s PRO 105 N -1.31 4.41 -0.27 0.00 0.02 -1.26 -4.91 135.00 131.67 1s6b s PRO 105 Ca 0.23 2.08 -0.11 0.00 0.02 0.00 0.00 61.00 63.23 1s6b s PRO 105 Cb -0.14 -3.16 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 1s6b s PRO 105 CO 0.12 -0.18 0.17 -0.47 -0.33 0.00 0.00 177.00 176.31 1s6b s TYR 106 N -0.40 3.22 -0.33 6.54 6.14 -1.26 -4.58 117.35 126.68 1s6b s TYR 106 Ca 0.53 0.09 -0.08 0.00 0.64 0.00 0.00 57.07 58.25 1s6b s TYR 106 Cb -0.37 -2.35 0.02 0.00 0.42 0.00 0.00 41.96 39.68 1s6b s TYR 106 CO 0.43 -0.14 0.13 1.21 0.64 0.00 0.00 175.55 177.82 1s6b s ASN 107 N 1.63 5.41 0.59 4.32 3.84 -1.26 -4.99 114.94 124.48 1s6b s ASN 107 Ca 0.07 -0.83 0.29 0.00 0.21 0.00 0.00 52.86 52.59 1s6b s ASN 107 Cb -0.16 -1.94 1.63 0.00 -0.55 0.00 0.00 41.25 40.24 1s6b s ASN 107 CO 0.09 -0.27 2.08 0.44 -2.79 0.00 0.00 177.10 176.65 1s6b h ASP 108 N 8.31 0.00 0.18 -4.21 3.32 -1.97 -0.72 116.42 121.33 1s6b h ASP 108 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1s6b h ASP 108 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1s6b h ASP 108 CO 0.62 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.73 1s6b n ASN 109 N -3.80 0.00 -0.60 6.45 3.02 -1.26 -2.34 115.26 116.73 1s6b n ASN 109 Ca 0.02 -0.48 0.06 0.00 -0.03 0.00 0.00 54.58 54.15 1s6b n ASN 109 Cb 0.36 -0.12 0.10 0.00 -0.61 0.00 0.00 39.78 39.52 1s6b n ASN 109 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1s6b n ASN 110 N -1.12 2.47 -4.73 6.41 3.02 -0.28 -4.84 115.26 116.19 1s6b n ASN 110 Ca 0.16 -1.72 -0.40 0.00 -0.03 0.00 0.00 54.58 52.59 1s6b n ASN 110 Cb 0.13 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.04 3.63 -1.24 3.10 5.04 -0.99 -0.03 117.35 125.82 1s6b s TYR 111 Ca 0.20 1.30 -0.07 0.00 -2.44 0.00 0.00 57.07 56.05 1s6b s TYR 111 Cb 0.12 -2.78 -0.01 0.00 0.35 0.00 0.00 41.96 39.64 1s6b s TYR 111 CO 0.17 0.17 0.71 -1.71 -1.34 0.00 0.00 175.55 173.55 1s6b n ASN 112 N 3.41 -2.91 -4.55 4.32 5.15 0.83 -4.92 115.26 116.60 1s6b n ASN 112 Ca -0.02 -0.89 -0.29 0.00 -0.60 0.00 0.00 54.58 52.77 1s6b n ASN 112 Cb 0.51 -3.85 0.14 0.00 -0.53 0.00 0.00 39.78 36.05 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 -3.62 1.99 -0.77 -1.44 -4.36 -1.26 -4.95 121.20 106.79 1s6b s ILE 113 Ca 0.20 0.00 -0.26 0.00 -0.26 0.00 0.00 60.65 60.33 1s6b s ILE 113 Cb -0.06 -2.98 0.01 0.00 1.25 0.00 0.00 42.46 40.68 1s6b s ILE 113 CO 0.83 0.00 1.53 -0.62 0.24 0.00 0.00 174.94 176.92 1s6b s ASP 114 N -4.68 5.88 0.19 4.36 -1.08 -1.26 -4.86 116.67 115.22 1s6b s ASP 114 Ca 0.67 -0.44 -0.09 0.00 -0.52 0.00 0.00 52.55 52.17 1s6b s ASP 114 Cb -0.08 -2.55 0.10 0.00 -1.46 0.00 0.00 42.92 38.92 1s6b s ASP 114 CO 0.51 -2.01 1.71 -0.07 0.52 0.00 0.00 175.17 175.82 1s6b h LEU 115 N 14.36 1.01 -0.62 -1.34 3.38 -1.94 -1.13 115.31 129.04 1s6b h LEU 115 Ca -0.15 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1s6b h LEU 115 Cb 1.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1s6b h LEU 115 CO 1.28 0.98 0.38 -0.61 0.09 0.00 0.00 178.44 180.56 1s6b h GLN 116 N 1.00 0.73 -0.01 1.13 4.15 -1.94 -0.09 115.11 120.08 1s6b h GLN 116 Ca 0.21 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.41 1s6b h GLN 116 Cb 0.36 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1s6b h GLN 116 CO 0.00 0.48 -0.80 0.00 -1.93 0.00 0.00 178.83 176.59 1s6b h ALA 117 N 1.26 0.64 0.00 3.38 0.00 -1.92 -3.39 119.26 119.24 1s6b h ALA 117 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1s6b h ALA 117 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1s6b h ALA 117 CO -0.10 0.90 -0.78 0.54 0.00 0.00 0.00 179.25 179.81 1s6b n ARG 118 N -3.68 2.67 -0.80 0.00 1.74 -0.45 -4.74 116.66 111.40 1s6b n ARG 118 Ca -0.02 -0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 57.01 1s6b n ARG 118 Cb 0.76 -1.05 0.19 0.00 -1.02 0.00 0.00 32.46 31.33 1s6b n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11