#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4u s ASP 9 N 0.00 6.34 0.32 4.38 -1.08 -1.26 -4.92 116.67 120.45 1b4u s ASP 9 Ca 0.00 -0.37 0.02 0.00 -0.52 0.00 0.00 52.55 51.67 1b4u s ASP 9 Cb 0.00 -2.39 0.58 0.00 -1.46 0.00 0.00 42.92 39.65 1b4u s ASP 9 CO 0.00 -1.05 1.94 1.62 0.52 0.00 0.00 175.17 178.19 1b4u h VAL 10 N 5.98 1.08 0.02 1.11 3.04 -2.06 -0.34 116.25 125.08 1b4u h VAL 10 Ca -0.26 -0.33 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1b4u h VAL 10 Cb 1.08 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1b4u h VAL 10 CO 1.02 0.17 -0.01 0.45 -1.01 0.00 0.00 177.57 178.19 1b4u h HIS 11 N 0.96 -0.03 -0.81 3.17 3.86 -1.99 -0.54 115.15 119.76 1b4u h HIS 11 Ca 0.35 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.57 1b4u h HIS 11 Cb 0.16 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 1b4u h HIS 11 CO -0.00 0.32 0.54 0.00 0.86 0.00 0.00 177.93 179.64 1b4u h ALA 12 N 0.58 1.03 -0.96 2.45 0.00 -1.96 -0.99 119.26 119.41 1b4u h ALA 12 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1b4u h ALA 12 Cb 0.36 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1b4u h ALA 12 CO 0.01 0.43 0.63 -0.92 0.00 0.00 0.00 179.25 179.39 1b4u h TYR 13 N 1.09 1.18 0.00 0.00 3.20 -0.78 -2.79 116.97 118.87 1b4u h TYR 13 Ca 0.30 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 62.04 1b4u h TYR 13 Cb -0.11 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 37.74 1b4u h TYR 13 CO -0.02 0.69 -0.76 -0.07 -1.64 0.00 0.00 178.16 176.37 1b4u h LEU 14 N 1.23 0.00 -0.95 2.82 3.38 -0.72 -3.30 115.31 117.77 1b4u h LEU 14 Ca 0.38 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.24 1b4u h LEU 14 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1b4u h LEU 14 CO -0.11 0.76 -0.48 0.00 0.09 0.00 0.00 178.44 178.69 1b4u h ALA 15 N 1.24 1.12 0.00 1.53 0.00 -0.92 -2.30 119.26 119.93 1b4u h ALA 15 Ca -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1b4u h ALA 15 Cb 1.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1b4u h ALA 15 CO 0.10 0.62 -0.20 0.93 0.00 0.00 0.00 179.25 180.71 1b4u h GLU 16 N 0.08 0.00 -0.03 0.00 5.08 -1.61 -2.72 114.58 115.37 1b4u h GLU 16 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1b4u h GLU 16 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1b4u h GLU 16 CO 0.07 0.20 0.04 0.74 -1.00 0.00 0.00 179.01 179.05 1b4u h PHE 17 N 0.00 0.00 0.00 4.33 0.04 -1.60 -2.29 116.94 117.42 1b4u h PHE 17 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1b4u h PHE 17 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1b4u h PHE 17 CO 0.00 0.00 0.00 -0.44 -0.60 0.00 0.00 178.31 177.27 1b4u h ASP 18 N 0.00 0.00 -0.08 2.17 3.32 -1.63 -2.94 116.42 117.26 1b4u h ASP 18 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1b4u h ASP 18 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1b4u h ASP 18 CO -0.00 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.85 1b4u n ASP 19 N -2.81 1.23 -4.65 6.45 2.03 -0.86 -4.85 116.55 113.09 1b4u n ASP 19 Ca 0.01 -1.53 -0.40 0.00 0.52 0.00 0.00 54.79 53.40 1b4u n ASP 19 Cb 0.29 -0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1b4u n ASP 19 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1b4u s ILE 20 N -1.91 5.04 0.33 5.18 1.01 -1.11 -0.48 121.20 129.26 1b4u s ILE 20 Ca 0.35 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.78 1b4u s ILE 20 Cb 0.19 -3.90 -0.11 0.00 0.01 0.00 0.00 42.46 38.65 1b4u s ILE 20 CO 0.29 0.10 1.41 -2.84 0.00 0.00 0.00 174.94 173.90 1b4u s PRO 21 N 2.06 4.24 -0.93 2.79 0.01 -1.26 -3.47 135.00 138.43 1b4u s PRO 21 Ca 0.26 2.37 0.00 0.00 0.01 0.00 0.00 61.00 63.64 1b4u s PRO 21 Cb -0.16 -3.04 0.00 0.00 0.01 0.00 0.00 34.50 31.31 1b4u s PRO 21 CO 0.09 -0.37 0.00 0.41 0.01 0.00 0.00 177.00 177.14 1b4u n GLY 22 N 1.00 1.04 2.84 0.52 0.00 -1.26 -4.94 105.19 104.39 1b4u n GLY 22 Ca 0.02 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 1b4u n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b4u s THR 23 N -2.33 0.10 -0.34 2.61 2.01 -1.23 -5.12 115.64 111.36 1b4u s THR 23 Ca 0.00 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 1b4u s THR 23 Cb 0.00 -0.16 0.08 0.00 0.01 0.00 0.00 72.50 72.43 1b4u s THR 23 CO 0.00 0.08 0.06 -0.13 -0.69 0.00 0.00 174.62 173.94 1b4u s ARG 24 N 0.55 2.09 0.11 4.92 0.52 -1.26 -4.85 118.95 121.02 1b4u s ARG 24 Ca -0.05 -1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 53.29 1b4u s ARG 24 Cb -0.08 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.06 1b4u s ARG 24 CO -0.01 -0.81 1.10 0.08 0.02 0.00 0.00 175.30 175.68 1b4u s VAL 25 N 1.13 4.13 -1.01 3.52 1.01 -1.26 -4.93 120.40 122.99 1b4u s VAL 25 Ca 0.02 1.67 -0.22 0.00 0.00 0.00 0.00 61.98 63.45 1b4u s VAL 25 Cb -0.21 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1b4u s VAL 25 CO -0.04 0.21 1.93 0.33 0.00 0.00 0.00 175.10 177.53 1b4u n PHE 26 N 3.16 2.50 -2.37 5.22 7.35 -1.26 -4.88 117.46 127.18 1b4u n PHE 26 Ca 0.05 -1.79 -0.27 0.00 -0.76 0.00 0.00 57.45 54.67 1b4u n PHE 26 Cb 0.47 -2.18 0.02 0.00 0.35 0.00 0.00 39.48 38.14 1b4u n PHE 26 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1b4u s THR 27 N 7.33 4.00 0.22 -2.13 -4.23 -1.26 -4.87 115.64 114.70 1b4u s THR 27 Ca 0.61 0.15 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 1b4u s THR 27 Cb 0.08 -3.58 0.35 0.00 1.34 0.00 0.00 72.50 70.69 1b4u s THR 27 CO 0.11 -0.61 1.28 0.00 -0.54 0.00 0.00 174.62 174.86 1b4u n ALA 28 N -2.56 0.15 -0.30 3.99 0.00 -1.26 -1.23 120.51 119.31 1b4u n ALA 28 Ca 0.04 0.89 -0.05 0.00 0.00 0.00 0.00 53.44 54.31 1b4u n ALA 28 Cb 0.57 -0.51 0.07 0.00 0.00 0.00 0.00 19.45 19.57 1b4u n ALA 28 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1b4u h GLN 29 N 0.00 1.17 -0.11 0.00 4.15 -1.97 -0.55 115.11 117.80 1b4u h GLN 29 Ca 0.38 -0.18 -0.14 0.00 0.77 0.00 0.00 58.65 59.48 1b4u h GLN 29 Cb 0.58 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1b4u h GLN 29 CO -0.84 0.91 -0.54 0.00 -1.93 0.00 0.00 178.83 176.43 1b4u h ARG 30 N 1.15 0.33 -0.35 1.69 3.08 -1.69 -2.53 114.38 116.06 1b4u h ARG 30 Ca 0.28 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1b4u h ARG 30 Cb 0.13 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1b4u h ARG 30 CO -0.03 0.78 -0.36 0.00 -1.07 0.00 0.00 179.97 179.29 1b4u h ALA 31 N 1.18 0.71 -0.15 0.04 0.00 -0.43 -0.15 119.26 120.46 1b4u h ALA 31 Ca 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 1b4u h ALA 31 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1b4u h ALA 31 CO 0.09 0.66 -0.68 0.00 0.00 0.00 0.00 179.25 179.32 1b4u h ARG 32 N 0.66 0.61 -0.89 0.00 3.08 -1.05 -2.42 114.38 114.37 1b4u h ARG 32 Ca 0.06 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1b4u h ARG 32 Cb 0.92 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1b4u h ARG 32 CO 0.08 1.08 0.53 -0.22 -1.07 0.00 0.00 179.97 180.37 1b4u h LYS 33 N 0.43 1.20 -0.48 0.04 3.64 -1.07 -2.89 116.57 117.45 1b4u h LYS 33 Ca -0.02 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1b4u h LYS 33 Cb 1.27 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1b4u h LYS 33 CO 0.13 0.84 0.00 0.41 -2.27 0.00 0.00 179.45 178.56 1b4u n GLY 34 N -1.26 1.60 0.17 5.01 0.00 -0.10 -4.62 105.19 105.99 1b4u n GLY 34 Ca 0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 1b4u n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1b4u h TYR 35 N 3.70 -0.20 -0.40 1.61 5.03 -1.23 0.14 116.97 125.62 1b4u h TYR 35 Ca 0.00 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.20 1b4u h TYR 35 Cb 0.83 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 1b4u h TYR 35 CO 0.31 -0.17 -0.33 -0.91 -1.32 0.00 0.00 178.16 175.74 1b4u h ASN 36 N 0.01 0.97 -0.64 -2.11 2.35 -1.86 -2.31 115.58 112.00 1b4u h ASN 36 Ca 0.20 -0.42 -0.06 0.00 -0.55 0.00 0.00 56.30 55.48 1b4u h ASN 36 Cb 0.30 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1b4u h ASN 36 CO -0.41 1.21 0.18 0.25 -1.65 0.00 0.00 177.43 177.00 1b4u h LEU 37 N 0.77 0.94 -0.66 1.61 5.85 -1.71 0.84 115.31 122.94 1b4u h LEU 37 Ca 0.08 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 1b4u h LEU 37 Cb 0.91 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1b4u h LEU 37 CO 0.08 0.91 -0.60 0.78 -0.34 0.00 0.00 178.44 179.28 1b4u h ASN 38 N 0.92 0.26 0.31 1.25 2.35 -0.80 -2.44 115.58 117.43 1b4u h ASN 38 Ca 0.20 -0.15 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 1b4u h ASN 38 Cb 0.32 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1b4u h ASN 38 CO -0.00 0.80 -0.75 1.56 -1.65 0.00 0.00 177.43 177.38 1b4u h GLN 39 N 0.17 0.37 -0.08 0.81 1.08 -1.26 -1.91 115.11 114.29 1b4u h GLN 39 Ca -0.01 -0.32 0.04 0.00 -1.45 0.00 0.00 58.65 56.92 1b4u h GLN 39 Cb 1.10 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.54 1b4u h GLN 39 CO 0.09 0.97 -0.39 0.35 -0.95 0.00 0.00 178.83 178.89 1b4u h PHE 40 N 0.25 -1.11 -0.74 2.96 3.57 -0.64 -2.54 116.94 118.68 1b4u h PHE 40 Ca -0.03 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1b4u h PHE 40 Cb 1.34 0.50 -0.04 0.00 2.79 0.00 0.00 35.95 40.53 1b4u h PHE 40 CO 0.04 -0.46 0.49 0.00 -2.23 0.00 0.00 178.31 176.14 1b4u h ALA 41 N 0.14 1.62 -0.61 2.41 0.00 -1.25 -1.88 119.26 119.68 1b4u h ALA 41 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1b4u h ALA 41 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1b4u h ALA 41 CO -0.36 0.29 0.30 0.52 0.00 0.00 0.00 179.25 180.00 1b4u h MET 42 N 0.85 0.86 0.00 0.00 2.86 -1.05 -1.81 114.93 116.64 1b4u h MET 42 Ca 0.31 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1b4u h MET 42 Cb 0.14 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1b4u h MET 42 CO -0.10 0.66 0.02 0.66 1.06 0.00 0.00 176.91 179.21 1b4u h SER 43 N 0.86 0.00 0.56 1.22 4.64 -0.93 -2.50 113.55 117.40 1b4u h SER 43 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1b4u h SER 43 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1b4u h SER 43 CO -0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.11 1b4u n LEU 44 N -2.88 0.00 0.15 5.97 4.77 -0.68 -2.36 117.00 121.96 1b4u n LEU 44 Ca -0.03 0.29 0.17 0.00 -0.03 0.00 0.00 56.01 56.41 1b4u n LEU 44 Cb 0.08 -0.29 0.76 0.00 -2.33 0.00 0.00 43.42 41.64 1b4u n LEU 44 CO 0.17 -0.00 1.15 0.24 -1.33 0.00 0.00 177.39 177.62 1b4u h MET 45 N 0.00 0.00 -5.72 3.23 2.86 -1.62 -3.42 114.93 110.26 1b4u h MET 45 Ca 0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 1b4u h MET 45 Cb 0.28 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.86 1b4u h MET 45 CO 0.00 0.00 0.01 0.15 1.06 0.00 0.00 176.91 178.13 1b4u s LYS 46 N -4.79 4.28 0.25 1.72 1.02 -1.00 -4.99 119.74 116.24 1b4u s LYS 46 Ca -0.05 0.57 -0.05 0.00 0.02 0.00 0.00 55.97 56.46 1b4u s LYS 46 Cb 0.17 -3.51 0.29 0.00 -0.52 0.00 0.00 37.83 34.25 1b4u s LYS 46 CO 0.61 -0.06 1.92 0.00 -0.92 0.00 0.00 175.35 176.91 1b4u h ALA 47 N 7.15 1.30 -0.91 5.17 0.00 -1.88 -1.66 119.26 128.43 1b4u h ALA 47 Ca -0.36 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.61 1b4u h ALA 47 Cb 1.16 -0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1b4u h ALA 47 CO 0.76 0.64 0.53 0.93 0.00 0.00 0.00 179.25 182.11 1b4u h GLU 48 N 1.34 0.80 -0.07 0.00 3.07 -1.95 0.99 114.58 118.76 1b4u h GLU 48 Ca 0.38 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 59.05 1b4u h GLU 48 Cb -0.11 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.60 1b4u h GLU 48 CO -0.09 0.53 -0.58 -0.91 -1.40 0.00 0.00 179.01 176.56 1b4u h ASN 49 N 0.83 0.26 -0.31 1.42 2.35 -1.60 -2.67 115.58 115.85 1b4u h ASN 49 Ca 0.46 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 1b4u h ASN 49 Cb 0.51 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1b4u h ASN 49 CO -0.29 0.78 0.04 0.03 -1.65 0.00 0.00 177.43 176.34 1b4u h ARG 50 N 0.17 0.52 -0.07 0.81 3.08 -0.08 -0.72 114.38 118.09 1b4u h ARG 50 Ca -0.00 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 1b4u h ARG 50 Cb 1.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1b4u h ARG 50 CO 0.09 0.63 -0.49 0.93 -1.07 0.00 0.00 179.97 180.06 1b4u h GLU 51 N 0.34 0.19 -0.20 0.04 4.39 -1.10 -1.19 114.58 117.06 1b4u h GLU 51 Ca 0.09 -0.10 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 1b4u h GLU 51 Cb 0.36 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1b4u h GLU 51 CO 0.01 0.64 -0.67 -0.09 -1.16 0.00 0.00 179.01 177.73 1b4u h ARG 52 N 0.15 0.76 -0.42 2.33 2.43 -1.35 -1.79 114.38 116.50 1b4u h ARG 52 Ca 0.01 -0.56 -0.04 0.00 -0.81 0.00 0.00 59.98 58.58 1b4u h ARG 52 Cb 0.92 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1b4u h ARG 52 CO 0.07 1.18 0.12 0.35 -1.51 0.00 0.00 179.97 180.18 1b4u h PHE 53 N 0.55 0.68 0.00 2.20 3.57 -0.98 -0.68 116.94 122.28 1b4u h PHE 53 Ca -0.02 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.32 1b4u h PHE 53 Cb 1.28 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1b4u h PHE 53 CO 0.07 0.63 -0.40 0.87 -2.23 0.00 0.00 178.31 177.25 1b4u h LYS 54 N 0.54 0.00 0.00 1.11 1.57 -1.15 -1.79 116.57 116.86 1b4u h LYS 54 Ca 0.13 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1b4u h LYS 54 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1b4u h LYS 54 CO -0.00 0.40 -0.43 0.00 -0.57 0.00 0.00 179.45 178.85 1b4u h ALA 55 N 1.60 1.16 -0.78 3.86 0.00 -0.21 -3.40 119.26 121.48 1b4u h ALA 55 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1b4u h ALA 55 Cb 0.80 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.34 1b4u h ALA 55 CO 0.05 0.54 -0.35 0.34 0.00 0.00 0.00 179.25 179.83 1b4u s ASP 56 N -6.74 -1.21 0.11 0.00 -1.08 -0.96 -5.06 116.67 101.72 1b4u s ASP 56 Ca -0.02 -0.59 -0.28 0.00 -0.52 0.00 0.00 52.55 51.15 1b4u s ASP 56 Cb 0.13 1.55 -0.09 0.00 -1.46 0.00 0.00 42.92 43.05 1b4u s ASP 56 CO 0.72 -0.14 1.64 -0.33 0.52 0.00 0.00 175.17 177.58 1b4u h GLU 57 N 6.60 -0.48 -0.87 4.34 5.08 -1.56 -1.92 114.58 125.77 1b4u h GLU 57 Ca 0.02 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1b4u h GLU 57 Cb 1.19 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 1b4u h GLU 57 CO 0.05 -0.32 0.57 1.03 -1.00 0.00 0.00 179.01 179.34 1b4u h SER 58 N -0.50 0.82 0.04 1.42 0.87 -1.97 0.57 113.55 114.80 1b4u h SER 58 Ca 0.02 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.38 1b4u h SER 58 Cb 0.51 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1b4u h SER 58 CO -0.13 0.51 -0.78 0.00 -0.53 0.00 0.00 176.83 175.89 1b4u h ALA 59 N 1.54 0.41 -0.18 6.23 0.00 -1.87 -1.28 119.26 124.11 1b4u h ALA 59 Ca 0.39 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1b4u h ALA 59 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1b4u h ALA 59 CO -0.15 0.72 0.06 -0.92 0.00 0.00 0.00 179.25 178.96 1b4u h TYR 60 N 0.42 0.29 -0.61 0.00 5.03 -0.55 -2.72 116.97 118.82 1b4u h TYR 60 Ca -0.05 -0.03 0.10 0.00 2.58 0.00 0.00 58.73 61.33 1b4u h TYR 60 Cb 1.39 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 39.55 1b4u h TYR 60 CO 0.07 0.37 0.41 -0.07 -1.32 0.00 0.00 178.16 177.62 1b4u h LEU 61 N 0.12 0.37 -1.21 2.82 3.38 0.47 -2.15 115.31 119.11 1b4u h LEU 61 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1b4u h LEU 61 Cb 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1b4u h LEU 61 CO -0.00 0.22 0.00 0.44 0.09 0.00 0.00 178.44 179.19 1b4u h ASP 62 N 0.41 0.00 0.23 -0.43 3.32 -0.91 -1.33 116.42 117.71 1b4u h ASP 62 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1b4u h ASP 62 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1b4u h ASP 62 CO -0.08 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.82 1b4u n GLU 63 N -2.47 0.60 0.00 3.56 1.02 -0.81 -3.82 120.64 118.72 1b4u n GLU 63 Ca 0.01 0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1b4u n GLU 63 Cb 0.18 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1b4u n GLU 63 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1b4u n TRP 64 N -1.14 0.00 -3.27 -0.32 7.02 -0.50 -5.01 117.44 114.22 1b4u n TRP 64 Ca 0.16 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.47 1b4u n TRP 64 Cb 0.14 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.10 1b4u n TRP 64 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1b4u n ASN 65 N 0.32 -4.47 -4.83 -0.99 5.03 -1.25 -4.84 115.26 104.23 1b4u n ASN 65 Ca 0.06 -0.43 -0.33 0.00 0.87 0.00 0.00 54.58 54.76 1b4u n ASN 65 Cb 0.27 -3.98 -0.05 0.00 -1.02 0.00 0.00 39.78 35.01 1b4u n ASN 65 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1b4u s LEU 66 N -5.69 3.75 0.97 3.41 1.43 -1.26 -4.96 118.68 116.33 1b4u s LEU 66 Ca 0.33 1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1b4u s LEU 66 Cb -0.15 -4.52 0.16 0.00 0.03 0.00 0.00 46.19 41.71 1b4u s LEU 66 CO 0.56 -0.52 1.02 0.35 0.23 0.00 0.00 176.35 177.98 1b4u n THR 67 N -1.21 0.00 -0.19 5.49 -2.24 -1.26 -4.80 114.28 110.08 1b4u n THR 67 Ca 0.07 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1b4u n THR 67 Cb 0.54 -0.95 0.17 0.00 -2.10 0.00 0.00 70.33 67.99 1b4u n THR 67 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1b4u h PRO 68 N -2.01 0.95 -0.33 -0.78 0.11 -1.99 -1.25 132.00 126.70 1b4u h PRO 68 Ca -0.46 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 65.45 1b4u h PRO 68 Cb 1.28 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1b4u h PRO 68 CO 0.41 0.78 0.03 0.00 -0.21 0.00 0.00 178.00 179.01 1b4u h ALA 69 N 1.34 1.43 -0.03 -0.75 0.00 -1.99 -0.55 119.26 118.71 1b4u h ALA 69 Ca 0.22 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1b4u h ALA 69 Cb 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1b4u h ALA 69 CO -0.02 0.41 -0.61 0.00 0.00 0.00 0.00 179.25 179.03 1b4u h ALA 70 N 1.55 0.11 -0.77 0.00 0.00 -1.63 -1.33 119.26 117.19 1b4u h ALA 70 Ca 0.11 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1b4u h ALA 70 Cb 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1b4u h ALA 70 CO 0.01 0.39 0.28 -0.22 0.00 0.00 0.00 179.25 179.71 1b4u h LYS 71 N 0.00 1.16 -0.17 0.00 3.64 -1.12 -0.40 116.57 119.69 1b4u h LYS 71 Ca -0.07 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 58.96 1b4u h LYS 71 Cb 1.30 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1b4u h LYS 71 CO 0.12 0.95 -0.47 0.00 -2.27 0.00 0.00 179.45 177.78 1b4u h ALA 72 N 1.18 0.89 -0.47 5.00 0.00 -0.94 -2.06 119.26 122.86 1b4u h ALA 72 Ca 0.25 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1b4u h ALA 72 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1b4u h ALA 72 CO -0.02 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.05 1b4u h ALA 73 N 1.16 0.62 0.32 0.00 0.00 -0.83 -1.31 119.26 119.22 1b4u h ALA 73 Ca 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1b4u h ALA 73 Cb 0.95 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1b4u h ALA 73 CO 0.08 0.25 -0.16 0.28 0.00 0.00 0.00 179.25 179.71 1b4u h VAL 74 N 0.62 0.69 -0.64 0.00 2.07 -0.50 -1.28 116.25 117.22 1b4u h VAL 74 Ca 0.15 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1b4u h VAL 74 Cb 0.24 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1b4u h VAL 74 CO -0.01 0.01 0.31 -0.07 0.02 0.00 0.00 177.57 177.84 1b4u h LEU 75 N -0.47 0.81 -0.17 2.57 3.38 -1.33 0.78 115.31 120.87 1b4u h LEU 75 Ca -0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1b4u h LEU 75 Cb 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1b4u h LEU 75 CO 0.07 0.68 -0.07 0.00 0.09 0.00 0.00 178.44 179.21 1b4u n ALA 76 N -2.44 2.68 -3.92 1.53 0.00 -0.50 -4.93 120.51 112.93 1b4u n ALA 76 Ca 0.06 -0.23 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 1b4u n ALA 76 Cb 0.12 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.20 1b4u n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b4u n ARG 77 N -1.02 -4.43 -3.39 0.00 5.12 0.27 -4.92 116.66 108.28 1b4u n ARG 77 Ca 0.15 0.52 -0.45 0.00 -1.93 0.00 0.00 57.85 56.14 1b4u n ARG 77 Cb 0.26 -5.11 -0.05 0.00 -1.16 0.00 0.00 32.46 26.40 1b4u n ARG 77 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1b4u s ASP 78 N -3.84 6.29 0.23 0.55 -1.08 -0.81 -4.92 116.67 113.08 1b4u s ASP 78 Ca 0.34 -2.31 -0.07 0.00 -0.52 0.00 0.00 52.55 50.00 1b4u s ASP 78 Cb -0.18 -2.15 0.21 0.00 -1.46 0.00 0.00 42.92 39.34 1b4u s ASP 78 CO 0.86 -0.66 1.82 1.88 0.52 0.00 0.00 175.17 179.58 1b4u h TYR 79 N 8.16 1.20 -0.66 -5.34 0.05 -1.91 -0.53 116.97 117.94 1b4u h TYR 79 Ca -0.08 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.64 1b4u h TYR 79 Cb 1.06 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 1b4u h TYR 79 CO 0.85 0.88 0.43 -0.91 -1.05 0.00 0.00 178.16 178.36 1b4u h ASN 80 N 1.18 0.76 -0.28 3.88 -0.26 -1.92 0.00 115.58 118.95 1b4u h ASN 80 Ca 0.28 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.90 1b4u h ASN 80 Cb 0.14 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1b4u h ASN 80 CO -0.03 0.56 -0.14 0.00 -1.06 0.00 0.00 177.43 176.76 1b4u h ALA 81 N 1.24 1.03 -0.82 -0.83 0.00 -1.73 -1.07 119.26 117.07 1b4u h ALA 81 Ca 0.24 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1b4u h ALA 81 Cb -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1b4u h ALA 81 CO -0.05 0.58 0.50 0.52 0.00 0.00 0.00 179.25 180.80 1b4u h MET 82 N 0.64 1.11 -0.52 0.00 2.86 -0.68 -2.25 114.93 116.09 1b4u h MET 82 Ca 0.11 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1b4u h MET 82 Cb 0.60 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1b4u h MET 82 CO 0.04 0.78 0.04 0.82 1.06 0.00 0.00 176.91 179.64 1b4u h ILE 83 N 1.13 1.24 -0.47 -1.22 2.04 -0.69 0.15 117.51 119.69 1b4u h ILE 83 Ca 0.30 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.24 1b4u h ILE 83 Cb -0.05 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1b4u h ILE 83 CO -0.06 0.35 0.32 0.44 0.00 0.00 0.00 178.15 179.20 1b4u h ASP 84 N 0.79 0.32 -0.29 1.72 3.32 -0.64 -0.04 116.42 121.60 1b4u h ASP 84 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1b4u h ASP 84 Cb 0.42 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1b4u h ASP 84 CO 0.02 0.20 0.00 -0.62 -1.72 0.00 0.00 179.24 177.12 1b4u n GLU 85 N -4.47 2.27 0.00 3.56 -0.58 -0.88 -4.85 120.64 115.69 1b4u n GLU 85 Ca 0.06 -1.30 0.00 0.00 -0.42 0.00 0.00 57.16 55.51 1b4u n GLU 85 Cb 0.28 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1b4u n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b4u n GLY 86 N 0.63 0.94 3.77 0.62 0.00 -0.03 -3.94 105.19 107.18 1b4u n GLY 86 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1b4u n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b4u s GLY 87 N -1.82 2.78 -0.10 -0.02 0.00 0.48 -3.85 107.32 104.79 1b4u s GLY 87 Ca 0.00 0.95 0.02 0.00 0.00 0.00 0.00 44.72 45.69 1b4u s GLY 87 CO 0.00 1.41 -0.16 0.21 0.00 0.00 0.00 173.10 174.55 1b4u s ASN 88 N -1.36 3.77 0.31 1.64 2.47 -1.26 -4.42 114.94 116.08 1b4u s ASN 88 Ca 0.64 -0.36 0.05 0.00 0.42 0.00 0.00 52.86 53.61 1b4u s ASN 88 Cb -0.29 -1.34 0.68 0.00 -1.45 0.00 0.00 41.25 38.85 1b4u s ASN 88 CO 0.35 0.21 1.82 1.62 -3.72 0.00 0.00 177.10 177.38 1b4u h VAL 89 N 5.20 0.82 -0.07 -5.21 3.04 -1.97 0.05 116.25 118.11 1b4u h VAL 89 Ca -0.29 -0.29 -0.15 0.00 -1.01 0.00 0.00 66.70 64.95 1b4u h VAL 89 Cb 1.20 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 1b4u h VAL 89 CO 0.52 0.15 -0.62 1.88 -1.01 0.00 0.00 177.57 178.49 1b4u h TYR 90 N 0.85 0.34 -0.15 3.17 0.05 -2.00 0.11 116.97 119.35 1b4u h TYR 90 Ca 0.52 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 59.11 1b4u h TYR 90 Cb 0.70 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.37 1b4u h TYR 90 CO -0.00 0.82 -0.13 0.74 -1.05 0.00 0.00 178.16 178.54 1b4u h PHE 91 N 0.19 0.42 0.00 4.88 -1.00 -1.65 -3.28 116.94 116.49 1b4u h PHE 91 Ca -0.01 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.65 1b4u h PHE 91 Cb 1.14 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 40.61 1b4u h PHE 91 CO 0.02 0.72 -0.02 -0.07 -1.61 0.00 0.00 178.31 177.36 1b4u h LEU 92 N -0.01 0.00 -2.65 1.54 3.38 -0.98 -2.37 115.31 114.22 1b4u h LEU 92 Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1b4u h LEU 92 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1b4u h LEU 92 CO 0.03 0.02 0.06 0.77 0.09 0.00 0.00 178.44 179.41 1b4u h SER 93 N 0.00 0.00 -0.04 -0.43 4.64 -1.03 -0.98 113.55 115.72 1b4u h SER 93 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1b4u h SER 93 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1b4u h SER 93 CO 0.00 0.00 -0.10 0.11 -0.87 0.00 0.00 176.83 175.97 1b4u h LYS 94 N 0.00 0.30 0.18 4.77 6.56 -1.63 -1.79 116.57 124.97 1b4u h LYS 94 Ca 0.01 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 1b4u h LYS 94 Cb 0.12 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1b4u h LYS 94 CO -0.00 0.41 -0.09 1.25 -2.06 0.00 0.00 179.45 178.97 1b4u h LEU 95 N 0.29 -0.21 -1.28 2.94 5.85 -1.38 -0.97 115.31 120.55 1b4u h LEU 95 Ca 0.06 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 1b4u h LEU 95 Cb 0.36 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1b4u h LEU 95 CO 0.02 0.34 -0.19 2.19 -0.34 0.00 0.00 178.44 180.46 1b4u h PHE 96 N -0.94 0.27 -0.68 1.25 -5.15 -1.58 -0.61 116.94 109.49 1b4u h PHE 96 Ca -0.02 -0.04 -0.04 0.00 -0.20 0.00 0.00 57.97 57.67 1b4u h PHE 96 Cb 0.47 -0.07 -0.03 0.00 0.22 0.00 0.00 35.95 36.54 1b4u h PHE 96 CO 0.07 0.44 0.28 0.77 -2.00 0.00 0.00 178.31 177.87 1b4u h SER 97 N 0.23 0.91 -0.75 -0.68 0.02 -1.38 0.28 113.55 112.19 1b4u h SER 97 Ca 0.04 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1b4u h SER 97 Cb 0.48 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1b4u h SER 97 CO 0.03 0.81 0.45 0.74 -1.14 0.00 0.00 176.83 177.72 1b4u h THR 98 N 0.98 1.05 0.00 -2.27 2.02 0.18 -0.27 112.91 114.60 1b4u h THR 98 Ca 0.23 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1b4u h THR 98 Cb 0.17 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1b4u h THR 98 CO -0.02 0.16 0.00 0.47 0.37 0.00 0.00 175.52 176.49 1b4u n ASP 99 N -4.68 0.00 0.00 4.18 8.00 -0.37 -4.90 116.55 118.78 1b4u n ASP 99 Ca 0.09 0.46 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1b4u n ASP 99 Cb 0.14 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1b4u n ASP 99 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b4u n GLY 100 N 0.44 0.65 3.70 0.44 0.00 -0.11 -5.06 105.19 105.25 1b4u n GLY 100 Ca 0.05 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1b4u n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4u s LYS 101 N -2.95 2.55 0.57 1.61 -0.14 0.93 -4.98 119.74 117.33 1b4u s LYS 101 Ca 0.00 -1.03 -0.04 0.00 -1.36 0.00 0.00 55.97 53.54 1b4u s LYS 101 Cb 0.00 -2.45 0.01 0.00 -1.68 0.00 0.00 37.83 33.72 1b4u s LYS 101 CO 0.00 0.47 0.86 -1.54 -0.76 0.00 0.00 175.35 174.37 1b4u s SER 102 N -2.97 5.53 0.27 2.83 1.04 -1.26 -3.88 113.70 115.26 1b4u s SER 102 Ca 0.28 0.54 -0.03 0.00 0.48 0.00 0.00 55.95 57.23 1b4u s SER 102 Cb -0.10 -1.54 0.37 0.00 0.10 0.00 0.00 66.02 64.85 1b4u s SER 102 CO 0.20 -1.06 1.84 -0.26 0.98 0.00 0.00 173.24 174.95 1b4u h PHE 103 N -0.09 0.96 -0.15 5.02 -1.00 -1.97 -1.65 116.94 118.05 1b4u h PHE 103 Ca -0.45 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.26 1b4u h PHE 103 Cb 1.27 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.53 1b4u h PHE 103 CO 0.44 0.74 0.08 0.37 -1.61 0.00 0.00 178.31 178.34 1b4u h GLN 104 N 0.92 0.21 -0.44 1.51 4.15 -1.99 -1.10 115.11 118.37 1b4u h GLN 104 Ca 0.21 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.69 1b4u h GLN 104 Cb 0.20 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.76 1b4u h GLN 104 CO -0.02 0.21 -0.39 0.35 -1.93 0.00 0.00 178.83 177.06 1b4u h PHE 105 N 0.15 -1.12 0.11 3.99 3.04 -1.90 -0.33 116.94 120.88 1b4u h PHE 105 Ca 0.05 0.07 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1b4u h PHE 105 Cb 0.06 0.55 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 1b4u h PHE 105 CO -0.04 -0.42 -0.17 0.00 -2.02 0.00 0.00 178.31 175.66 1b4u h ALA 106 N 0.60 -0.29 -0.53 2.41 0.00 -1.14 0.81 119.26 121.13 1b4u h ALA 106 Ca 0.16 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1b4u h ALA 106 Cb 0.57 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1b4u h ALA 106 CO -0.59 -0.70 0.26 0.00 0.00 0.00 0.00 179.25 178.22 1b4u h ALA 107 N 0.50 0.67 -0.06 0.00 0.00 -1.12 -2.58 119.26 116.67 1b4u h ALA 107 Ca 0.02 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1b4u h ALA 107 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1b4u h ALA 107 CO -0.09 -0.09 -0.22 0.78 0.00 0.00 0.00 179.25 179.63 1b4u h GLY 108 N 0.50 0.11 2.00 0.00 0.00 -0.64 -2.21 103.07 102.84 1b4u h GLY 108 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1b4u h GLY 108 CO -0.17 0.07 0.00 1.48 0.00 0.00 0.00 176.54 177.92 1b4u h SER 109 N 0.10 0.00 -0.02 0.19 4.64 -0.44 -0.83 113.55 117.18 1b4u h SER 109 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1b4u h SER 109 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1b4u h SER 109 CO 0.03 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.22 1b4u n MET 110 N -2.88 1.39 0.00 4.77 2.81 -0.83 -4.13 117.12 118.24 1b4u n MET 110 Ca 0.01 -0.57 0.09 0.00 -1.81 0.00 0.00 57.70 55.42 1b4u n MET 110 Cb 0.29 -1.47 -0.08 0.00 -0.71 0.00 0.00 33.22 31.24 1b4u n MET 110 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1b4u n THR 111 N -0.30 0.00 -1.20 2.03 -2.24 -0.32 -4.96 114.28 107.29 1b4u n THR 111 Ca 0.20 -0.12 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1b4u n THR 111 Cb 0.25 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1b4u n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b4u n GLY 112 N 1.39 0.80 3.95 3.38 0.00 -1.25 -5.02 105.19 108.44 1b4u n GLY 112 Ca 0.04 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1b4u n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b4u s MET 113 N -2.26 3.43 0.99 1.61 -1.94 -1.26 -5.09 119.30 114.78 1b4u s MET 113 Ca 0.00 -0.48 -0.12 0.00 -1.71 0.00 0.00 55.69 53.38 1b4u s MET 113 Cb 0.00 -2.72 0.19 0.00 2.01 0.00 0.00 34.83 34.31 1b4u s MET 113 CO 0.00 0.19 1.08 0.95 -0.01 0.00 0.00 175.02 177.23 1b4u s THR 114 N -2.24 2.28 0.48 2.05 -4.23 -1.26 -4.78 115.64 107.93 1b4u s THR 114 Ca 0.39 0.09 0.17 0.00 -1.18 0.00 0.00 61.69 61.16 1b4u s THR 114 Cb -0.09 -2.44 0.33 0.00 1.34 0.00 0.00 72.50 71.64 1b4u s THR 114 CO 0.34 -0.12 2.03 1.56 -0.54 0.00 0.00 174.62 177.89 1b4u h GLN 115 N -1.94 0.22 0.03 3.99 1.08 -1.97 -2.30 115.11 114.21 1b4u h GLN 115 Ca -0.53 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 56.56 1b4u h GLN 115 Cb 1.31 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.70 1b4u h GLN 115 CO 0.53 0.15 -0.36 1.49 -0.95 0.00 0.00 178.83 179.69 1b4u h GLU 116 N 0.23 0.20 -0.66 1.46 4.81 -1.99 -2.19 114.58 116.43 1b4u h GLU 116 Ca 0.20 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1b4u h GLU 116 Cb 0.51 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1b4u h GLU 116 CO -0.04 1.02 0.40 0.93 -0.73 0.00 0.00 179.01 180.59 1b4u h GLU 117 N -0.51 0.74 -0.68 1.92 5.08 -1.91 -0.89 114.58 118.33 1b4u h GLU 117 Ca -0.05 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1b4u h GLU 117 Cb 1.16 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1b4u h GLU 117 CO 0.07 0.49 0.16 -0.92 -1.00 0.00 0.00 179.01 177.81 1b4u h TYR 118 N 0.76 1.15 -0.43 4.33 3.20 -1.34 -0.15 116.97 124.50 1b4u h TYR 118 Ca 0.28 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1b4u h TYR 118 Cb 0.08 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 1b4u h TYR 118 CO -0.06 0.94 -0.09 0.00 -1.64 0.00 0.00 178.16 177.32 1b4u h ALA 119 N 1.07 1.05 -0.22 1.82 0.00 -1.21 -1.83 119.26 119.94 1b4u h ALA 119 Ca 0.21 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1b4u h ALA 119 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1b4u h ALA 119 CO 0.00 0.58 -0.55 0.37 0.00 0.00 0.00 179.25 179.65 1b4u h GLN 120 N 0.68 0.76 -0.54 0.00 5.75 -0.88 -2.19 115.11 118.69 1b4u h GLN 120 Ca 0.12 -0.53 0.06 0.00 -0.15 0.00 0.00 58.65 58.15 1b4u h GLN 120 Cb 0.55 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.13 1b4u h GLN 120 CO 0.03 1.15 0.25 1.98 -2.65 0.00 0.00 178.83 179.60 1b4u h MET 121 N 0.50 0.47 -0.33 1.69 4.05 -0.71 -1.23 114.93 119.37 1b4u h MET 121 Ca -0.01 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1b4u h MET 121 Cb 1.17 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 1b4u h MET 121 CO 0.12 0.31 0.08 0.52 0.23 0.00 0.00 176.91 178.17 1b4u h MET 122 N 0.48 0.53 -0.66 0.39 2.86 -1.21 0.18 114.93 117.51 1b4u h MET 122 Ca 0.25 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1b4u h MET 122 Cb 0.21 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 1b4u h MET 122 CO -0.20 0.60 0.29 0.82 1.06 0.00 0.00 176.91 179.47 1b4u h ILE 123 N 0.38 0.80 0.00 -1.22 1.08 -1.12 0.99 117.51 118.41 1b4u h ILE 123 Ca 0.10 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1b4u h ILE 123 Cb 0.31 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1b4u h ILE 123 CO 0.00 0.09 0.00 0.47 -0.69 0.00 0.00 178.15 178.02 1b4u n ASP 124 N -4.94 0.00 0.00 1.72 8.00 -0.49 -4.81 116.55 116.04 1b4u n ASP 124 Ca 0.10 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1b4u n ASP 124 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1b4u n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b4u n GLY 125 N 0.43 1.37 0.00 0.44 0.00 0.33 -5.05 105.19 102.71 1b4u n GLY 125 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1b4u n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4u n GLY 126 N 0.00 -0.89 3.73 -0.02 0.00 0.60 -4.85 105.19 103.76 1b4u n GLY 126 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1b4u n GLY 126 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b4u s ARG 127 N -1.46 4.50 0.40 1.61 3.52 -1.26 -4.83 118.95 121.43 1b4u s ARG 127 Ca 0.00 1.80 -0.25 0.00 -0.13 0.00 0.00 55.73 57.16 1b4u s ARG 127 Cb 0.00 -3.28 -0.08 0.00 -1.56 0.00 0.00 34.95 30.02 1b4u s ARG 127 CO 0.00 -0.10 1.13 0.45 -0.81 0.00 0.00 175.30 175.97 1b4u s SER 128 N 0.36 6.56 0.53 -2.12 0.15 -1.26 -4.92 113.70 112.99 1b4u s SER 128 Ca 0.54 2.25 0.35 0.00 0.70 0.00 0.00 55.95 59.79 1b4u s SER 128 Cb -0.31 -2.60 1.76 0.00 -1.71 0.00 0.00 66.02 63.16 1b4u s SER 128 CO 0.34 -0.64 2.07 -0.65 1.20 0.00 0.00 173.24 175.56 1b4u h PRO 129 N 2.55 0.00 -6.26 5.44 0.11 -1.95 -3.44 132.00 128.45 1b4u h PRO 129 Ca -0.49 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.07 1b4u h PRO 129 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1b4u h PRO 129 CO 0.62 0.00 1.28 0.00 -0.21 0.00 0.00 178.00 179.69 1b4u n ALA 130 N -1.99 1.53 0.00 -0.75 0.00 -1.26 -1.49 120.51 116.55 1b4u n ALA 130 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1b4u n ALA 130 Cb 0.15 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 16.88 1b4u n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4u n GLY 131 N 4.84 1.11 1.87 0.00 0.00 0.63 -4.88 105.19 108.77 1b4u n GLY 131 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1b4u n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1b4u n VAL 132 N -2.00 2.09 -0.11 1.61 0.24 -0.56 -4.51 118.33 115.09 1b4u n VAL 132 Ca 0.00 -3.60 -0.14 0.00 -2.04 0.00 0.00 64.34 58.56 1b4u n VAL 132 Cb 0.00 -0.39 -0.14 0.00 -1.47 0.00 0.00 33.84 31.83 1b4u n VAL 132 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1b4u n ARG 133 N -0.69 0.67 -3.70 7.34 3.00 -1.23 -4.33 116.66 117.72 1b4u n ARG 133 Ca 0.30 0.07 -0.13 0.00 -0.01 0.00 0.00 57.85 58.09 1b4u n ARG 133 Cb 0.90 -1.53 -0.13 0.00 0.00 0.00 0.00 32.46 31.70 1b4u n ARG 133 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1b4u s SER 134 N -5.97 -0.01 0.06 0.55 0.15 -1.26 -4.46 113.70 102.76 1b4u s SER 134 Ca -0.21 0.60 -0.20 0.00 0.70 0.00 0.00 55.95 56.84 1b4u s SER 134 Cb 0.07 0.59 -0.12 0.00 -1.71 0.00 0.00 66.02 64.86 1b4u s SER 134 CO 0.73 -0.20 1.46 0.40 1.20 0.00 0.00 173.24 176.83 1b4u h ILE 135 N 6.04 1.28 -0.06 6.45 2.04 -1.14 0.34 117.51 132.46 1b4u h ILE 135 Ca -0.28 -0.98 -0.23 0.00 1.00 0.00 0.00 64.86 64.36 1b4u h ILE 135 Cb 1.14 1.56 0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1b4u h ILE 135 CO 0.26 0.29 -0.89 0.07 0.00 0.00 0.00 178.15 177.88 1b4u h LYS 136 N 0.06 0.64 -0.36 2.37 2.10 -1.97 -3.26 116.57 116.15 1b4u h LYS 136 Ca 0.05 -0.60 -0.13 0.00 -2.00 0.00 0.00 60.65 57.97 1b4u h LYS 136 Cb 0.46 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 1b4u h LYS 136 CO 0.02 1.21 -0.30 0.78 -2.00 0.00 0.00 179.45 179.15 1b4u h GLY 137 N 0.75 0.85 0.00 0.07 0.00 -1.95 -3.47 103.07 99.31 1b4u h GLY 137 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1b4u h GLY 137 CO 0.17 0.71 0.00 0.61 0.00 0.00 0.00 176.54 178.04 1b4u n GLY 138 N -0.09 0.71 0.07 4.60 0.00 0.11 -5.04 105.19 105.55 1b4u n GLY 138 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1b4u n GLY 138 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90