#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrp s SER 5 N 0.00 6.34 0.00 1.08 0.15 -1.26 -4.87 113.70 115.14 1wrp s SER 5 Ca 0.00 2.71 0.05 0.00 0.70 0.00 0.00 55.95 59.41 1wrp s SER 5 Cb 0.00 -2.64 0.29 0.00 -1.71 0.00 0.00 66.02 61.96 1wrp s SER 5 CO 0.00 -0.84 0.67 -2.65 1.20 0.00 0.00 173.24 171.63 1wrp n PRO 6 N 0.21 0.22 -3.21 5.44 -0.02 -1.26 -3.46 135.00 132.93 1wrp n PRO 6 Ca 0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1wrp n PRO 6 Cb 0.43 -1.34 -0.02 0.00 -0.02 0.00 0.00 33.50 32.55 1wrp n PRO 6 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wrp s TYR 7 N -2.00 -1.59 -0.33 6.00 6.14 -1.26 -5.13 117.35 119.19 1wrp s TYR 7 Ca 0.07 0.60 -0.23 0.00 0.64 0.00 0.00 57.07 58.16 1wrp s TYR 7 Cb 0.03 0.20 0.00 0.00 0.42 0.00 0.00 41.96 42.61 1wrp s TYR 7 CO 0.06 -1.09 0.77 -1.12 0.64 0.00 0.00 175.55 174.80 1wrp s SER 8 N 2.41 6.60 0.00 4.32 0.01 -1.22 -4.47 113.70 121.35 1wrp s SER 8 Ca 0.12 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1wrp s SER 8 Cb -0.09 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1wrp s SER 8 CO -0.20 -0.64 0.00 0.00 0.41 0.00 0.00 173.24 172.81 1wrp n ALA 9 N 6.24 1.10 0.00 1.44 0.00 -1.26 -5.03 120.51 123.00 1wrp n ALA 9 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1wrp n ALA 9 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1wrp n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrp n ALA 10 N -2.80 0.00 -0.02 0.00 0.00 -1.26 -4.90 120.51 111.53 1wrp n ALA 10 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1wrp n ALA 10 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1wrp n ALA 10 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wrp h MET 11 N 0.00 0.23 0.72 0.00 2.86 -1.98 -2.09 114.93 114.67 1wrp h MET 11 Ca 0.00 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 1wrp h MET 11 Cb 0.00 0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.73 1wrp h MET 11 CO 0.00 0.96 -0.35 0.00 1.06 0.00 0.00 176.91 178.58 1wrp h ALA 12 N 0.27 -0.97 -0.78 6.32 0.00 -1.92 -1.11 119.26 121.08 1wrp h ALA 12 Ca -0.04 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.83 1wrp h ALA 12 Cb 1.07 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 19.13 1wrp h ALA 12 CO 0.07 -1.04 0.24 1.49 0.00 0.00 0.00 179.25 180.01 1wrp h GLU 13 N -0.98 0.32 0.55 0.00 4.81 -1.78 0.43 114.58 117.92 1wrp h GLU 13 Ca -0.10 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1wrp h GLU 13 Cb 0.75 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1wrp h GLU 13 CO 0.16 0.21 -0.27 1.96 -0.73 0.00 0.00 179.01 180.34 1wrp h GLN 14 N 0.33 -0.72 -0.94 1.92 4.20 -0.95 0.91 115.11 119.86 1wrp h GLN 14 Ca 0.45 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.36 1wrp h GLN 14 Cb 0.77 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.62 1wrp h GLN 14 CO -0.50 -0.48 0.54 0.00 -0.67 0.00 0.00 178.83 177.72 1wrp h ARG 15 N -0.75 0.75 -0.56 1.46 3.08 -0.75 -1.12 114.38 116.49 1wrp h ARG 15 Ca -0.07 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1wrp h ARG 15 Cb 0.58 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1wrp h ARG 15 CO 0.12 0.49 0.22 1.25 -1.07 0.00 0.00 179.97 180.98 1wrp h HIS 16 N 0.77 0.85 -0.38 3.04 2.76 -0.29 -2.78 115.15 119.11 1wrp h HIS 16 Ca 0.51 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 58.50 1wrp h HIS 16 Cb 0.68 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1wrp h HIS 16 CO -0.04 0.69 -0.23 1.96 -1.30 0.00 0.00 177.93 179.01 1wrp h GLN 17 N 0.76 0.76 -0.31 5.26 1.08 -0.19 -2.63 115.11 119.85 1wrp h GLN 17 Ca 0.19 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 1wrp h GLN 17 Cb 0.20 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1wrp h GLN 17 CO -0.02 0.92 0.01 0.93 -0.95 0.00 0.00 178.83 179.72 1wrp h GLU 18 N 0.66 0.47 -0.35 1.46 5.08 -1.07 0.14 114.58 120.96 1wrp h GLU 18 Ca 0.09 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1wrp h GLU 18 Cb 0.74 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1wrp h GLU 18 CO 0.06 0.49 -0.43 2.35 -1.00 0.00 0.00 179.01 180.48 1wrp h TRP 19 N 0.45 1.11 -0.30 4.33 2.91 -1.34 -2.82 115.95 120.30 1wrp h TRP 19 Ca 0.10 -0.35 -0.10 0.00 1.13 0.00 0.00 58.89 59.67 1wrp h TRP 19 Cb 0.28 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 1wrp h TRP 19 CO 0.01 1.18 -0.22 -0.07 -1.03 0.00 0.00 178.44 178.31 1wrp h LEU 20 N 0.72 0.58 -1.49 0.65 3.38 -1.04 -1.73 115.31 116.37 1wrp h LEU 20 Ca 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1wrp h LEU 20 Cb 1.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1wrp h LEU 20 CO 0.10 0.79 -0.08 -0.09 0.09 0.00 0.00 178.44 179.26 1wrp h ARG 21 N 0.51 0.23 -0.13 1.13 2.43 -0.88 -1.44 114.38 116.24 1wrp h ARG 21 Ca 0.08 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1wrp h ARG 21 Cb 0.66 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1wrp h ARG 21 CO 0.05 0.33 -0.24 0.35 -1.51 0.00 0.00 179.97 178.94 1wrp h PHE 22 N 0.23 0.50 0.02 2.20 3.04 -1.09 -1.47 116.94 120.36 1wrp h PHE 22 Ca 0.05 -0.18 0.01 0.00 3.98 0.00 0.00 57.97 61.83 1wrp h PHE 22 Cb 0.29 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1wrp h PHE 22 CO 0.00 0.86 -0.05 0.28 -2.02 0.00 0.00 178.31 177.38 1wrp h VAL 23 N -0.01 0.87 -0.54 1.41 2.07 -1.02 -1.50 116.25 117.53 1wrp h VAL 23 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1wrp h VAL 23 Cb 0.83 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1wrp h VAL 23 CO 0.05 0.00 0.34 -0.78 0.02 0.00 0.00 177.57 177.20 1wrp h ASP 24 N -0.10 0.64 -0.18 0.57 3.58 -1.32 -0.34 116.42 119.27 1wrp h ASP 24 Ca 0.02 -0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.47 1wrp h ASP 24 Cb 0.12 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 1wrp h ASP 24 CO -0.04 0.50 -0.22 0.25 -2.88 0.00 0.00 179.24 176.84 1wrp h LEU 25 N 0.73 -0.70 -0.43 2.28 5.85 -1.02 -1.67 115.31 120.35 1wrp h LEU 25 Ca 0.20 0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1wrp h LEU 25 Cb -0.03 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1wrp h LEU 25 CO -0.04 -0.27 0.28 0.25 -0.34 0.00 0.00 178.44 178.33 1wrp h LEU 26 N -0.26 0.48 -0.66 2.25 5.85 -1.00 -0.59 115.31 121.39 1wrp h LEU 26 Ca 0.12 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.96 1wrp h LEU 26 Cb 0.43 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 1wrp h LEU 26 CO -0.33 0.35 0.09 0.50 -0.34 0.00 0.00 178.44 178.71 1wrp h LYS 27 N 0.58 0.20 0.05 1.25 3.64 -0.50 0.20 116.57 121.98 1wrp h LYS 27 Ca 0.16 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1wrp h LYS 27 Cb -0.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1wrp h LYS 27 CO -0.04 0.13 -0.02 -0.97 -2.27 0.00 0.00 179.45 176.27 1wrp h ASN 28 N 0.20 -0.06 -0.64 4.20 -1.24 -1.00 -2.10 115.58 114.96 1wrp h ASN 28 Ca 0.35 -0.15 0.13 0.00 0.71 0.00 0.00 56.30 57.35 1wrp h ASN 28 Cb 0.58 0.01 -0.11 0.00 0.73 0.00 0.00 38.32 39.53 1wrp h ASN 28 CO -0.50 0.11 -0.02 0.00 -1.29 0.00 0.00 177.43 175.74 1wrp h ALA 29 N 0.72 0.60 -0.16 1.57 0.00 -0.14 -0.50 119.26 121.35 1wrp h ALA 29 Ca -0.01 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1wrp h ALA 29 Cb 0.20 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1wrp h ALA 29 CO 0.01 -0.40 0.01 1.88 0.00 0.00 0.00 179.25 180.75 1wrp h TYR 30 N 0.10 0.01 -0.09 0.00 0.05 -0.72 0.40 116.97 116.71 1wrp h TYR 30 Ca 0.33 0.01 0.03 0.00 0.05 0.00 0.00 58.73 59.15 1wrp h TYR 30 Cb 0.54 0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 1wrp h TYR 30 CO -0.39 -0.01 0.15 1.96 -1.05 0.00 0.00 178.16 178.81 1wrp h GLN 31 N 0.06 0.00 -0.12 4.88 4.20 -0.45 -0.03 115.11 123.65 1wrp h GLN 31 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1wrp h GLN 31 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1wrp h GLN 31 CO -0.12 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.13 1wrp n ASN 32 N -3.49 2.50 -2.27 1.46 4.13 -0.44 -4.97 115.26 112.17 1wrp n ASN 32 Ca -0.01 -1.72 -0.17 0.00 1.68 0.00 0.00 54.58 54.37 1wrp n ASN 32 Cb 0.24 -0.07 0.03 0.00 -1.54 0.00 0.00 39.78 38.43 1wrp n ASN 32 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1wrp n ASP 33 N 0.87 -4.96 -0.10 6.41 -0.08 -0.03 -4.88 116.55 113.77 1wrp n ASP 33 Ca 0.10 -0.20 0.07 0.00 -1.51 0.00 0.00 54.79 53.25 1wrp n ASP 33 Cb 0.41 -3.83 0.10 0.00 2.34 0.00 0.00 41.12 40.13 1wrp n ASP 33 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wrp n LEU 34 N -3.02 2.33 -0.04 -2.67 4.77 0.12 -4.79 117.00 113.70 1wrp n LEU 34 Ca -0.09 -2.72 -0.11 0.00 -0.03 0.00 0.00 56.01 53.06 1wrp n LEU 34 Cb 0.59 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1wrp n LEU 34 CO 0.34 0.64 0.84 1.12 -1.33 0.00 0.00 177.39 179.01 1wrp h HIS 35 N 0.13 0.22 0.52 -1.77 2.07 -1.85 -2.68 115.15 111.80 1wrp h HIS 35 Ca 0.00 -0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.49 1wrp h HIS 35 Cb 0.86 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 30.76 1wrp h HIS 35 CO 0.03 0.30 -0.44 -0.07 -3.07 0.00 0.00 177.93 174.68 1wrp h LEU 36 N 0.09 -1.17 -1.45 6.12 3.38 -1.92 -1.46 115.31 118.88 1wrp h LEU 36 Ca 0.05 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1wrp h LEU 36 Cb 0.17 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1wrp h LEU 36 CO -0.00 -0.60 0.47 1.55 0.09 0.00 0.00 178.44 179.94 1wrp h PRO 37 N -0.93 0.61 0.20 1.13 0.13 -1.94 -1.35 132.00 129.85 1wrp h PRO 37 Ca -0.07 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1wrp h PRO 37 Cb 0.79 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1wrp h PRO 37 CO -0.01 0.40 -0.10 1.25 -0.23 0.00 0.00 178.00 179.32 1wrp h LEU 38 N 0.63 -0.23 -1.21 1.56 5.85 -1.16 -1.22 115.31 119.53 1wrp h LEU 38 Ca 0.32 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1wrp h LEU 38 Cb 0.44 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1wrp h LEU 38 CO -0.11 -0.07 0.39 -0.07 -0.34 0.00 0.00 178.44 178.24 1wrp h LEU 39 N -0.38 0.83 -0.31 2.25 3.38 -1.05 0.14 115.31 120.15 1wrp h LEU 39 Ca -0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1wrp h LEU 39 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wrp h LEU 39 CO 0.05 0.65 0.14 0.78 0.09 0.00 0.00 178.44 180.15 1wrp h ASN 40 N 0.94 0.42 -0.05 -0.43 -0.26 -1.12 -1.66 115.58 113.42 1wrp h ASN 40 Ca 0.24 -0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1wrp h ASN 40 Cb -0.00 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1wrp h ASN 40 CO -0.04 0.45 0.03 0.25 -1.06 0.00 0.00 177.43 177.06 1wrp h LEU 41 N 0.36 0.06 -0.55 1.61 5.85 -0.46 -3.31 115.31 118.88 1wrp h LEU 41 Ca 0.11 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1wrp h LEU 41 Cb 0.15 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1wrp h LEU 41 CO -0.01 0.11 -0.03 0.24 -0.34 0.00 0.00 178.44 178.41 1wrp h MET 42 N 0.01 0.00 -6.77 1.25 2.86 -0.96 -3.46 114.93 107.86 1wrp h MET 42 Ca 0.02 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.98 1wrp h MET 42 Cb 0.06 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 31.49 1wrp h MET 42 CO -0.00 0.03 -0.87 -0.51 1.06 0.00 0.00 176.91 176.62 1wrp s LEU 43 N -6.23 2.28 0.53 1.22 1.43 -0.63 -5.07 118.68 112.22 1wrp s LEU 43 Ca 0.05 -0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 52.32 1wrp s LEU 43 Cb 0.07 -1.19 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 1wrp s LEU 43 CO 0.63 0.18 0.95 0.42 0.23 0.00 0.00 176.35 178.76 1wrp s THR 44 N -1.01 4.67 0.24 5.49 -4.23 -1.26 -4.77 115.64 114.77 1wrp s THR 44 Ca 0.13 0.91 -0.06 0.00 -1.18 0.00 0.00 61.69 61.49 1wrp s THR 44 Cb -0.10 -3.79 0.22 0.00 1.34 0.00 0.00 72.50 70.17 1wrp s THR 44 CO 0.05 -0.85 1.69 -0.65 -0.54 0.00 0.00 174.62 174.32 1wrp h PRO 45 N 0.45 0.28 -0.54 3.99 0.11 -1.98 -0.27 132.00 134.03 1wrp h PRO 45 Ca -0.46 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1wrp h PRO 45 Cb 1.19 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1wrp h PRO 45 CO 0.62 0.18 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.13 1wrp h ASP 46 N 0.29 0.92 -0.52 -2.05 3.45 -1.98 -1.68 116.42 114.85 1wrp h ASP 46 Ca 0.39 -0.26 -0.12 0.00 0.43 0.00 0.00 57.03 57.48 1wrp h ASP 46 Cb 0.64 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 1wrp h ASP 46 CO -0.47 0.99 -0.14 -0.33 -1.57 0.00 0.00 179.24 177.71 1wrp h GLU 47 N 0.86 1.02 0.16 3.56 5.08 -1.65 -1.18 114.58 122.42 1wrp h GLU 47 Ca 0.15 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1wrp h GLU 47 Cb 0.54 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1wrp h GLU 47 CO 0.03 1.08 -0.08 0.00 -1.00 0.00 0.00 179.01 179.04 1wrp h ARG 48 N 0.89 -0.20 -0.70 2.33 3.08 -1.02 -1.41 114.38 117.35 1wrp h ARG 48 Ca 0.13 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.33 1wrp h ARG 48 Cb 0.71 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.71 1wrp h ARG 48 CO 0.05 0.02 0.22 1.49 -1.07 0.00 0.00 179.97 180.68 1wrp h GLU 49 N -0.40 0.34 -0.42 0.04 4.81 -1.33 -0.43 114.58 117.18 1wrp h GLU 49 Ca -0.02 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1wrp h GLU 49 Cb 0.32 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1wrp h GLU 49 CO 0.04 0.22 0.01 0.00 -0.73 0.00 0.00 179.01 178.55 1wrp h ALA 50 N 1.53 1.22 -0.36 2.92 0.00 -0.98 -2.22 119.26 121.38 1wrp h ALA 50 Ca 0.38 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1wrp h ALA 50 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wrp h ALA 50 CO -0.42 0.52 -0.01 -0.07 0.00 0.00 0.00 179.25 179.26 1wrp h LEU 51 N 0.64 0.63 -1.05 0.00 3.38 -0.03 -1.01 115.31 117.87 1wrp h LEU 51 Ca 0.13 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1wrp h LEU 51 Cb 0.39 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1wrp h LEU 51 CO 0.01 0.79 0.64 1.23 0.09 0.00 0.00 178.44 181.20 1wrp h GLY 52 N 0.45 1.44 0.75 0.83 0.00 -0.89 -2.53 103.07 103.11 1wrp h GLY 52 Ca 0.10 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1wrp h GLY 52 CO 0.02 0.38 -0.42 -0.84 0.00 0.00 0.00 176.54 175.69 1wrp h THR 53 N 1.20 1.42 -0.54 4.70 2.02 -1.21 -3.26 112.91 117.23 1wrp h THR 53 Ca 0.40 -1.83 0.12 0.00 0.77 0.00 0.00 66.41 65.87 1wrp h THR 53 Cb 0.07 2.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 1wrp h THR 53 CO -0.14 0.53 0.37 0.03 0.37 0.00 0.00 175.52 176.69 1wrp h ARG 54 N -0.09 0.20 -0.33 6.66 3.08 -0.91 0.01 114.38 123.00 1wrp h ARG 54 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1wrp h ARG 54 Cb 1.08 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1wrp h ARG 54 CO 0.09 0.13 0.16 0.28 -1.07 0.00 0.00 179.97 179.56 1wrp h VAL 55 N 0.21 1.16 -0.37 2.04 2.07 -1.50 0.15 116.25 119.99 1wrp h VAL 55 Ca 0.26 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1wrp h VAL 55 Cb 0.73 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1wrp h VAL 55 CO -0.05 0.16 0.16 0.03 0.02 0.00 0.00 177.57 177.89 1wrp h ARG 56 N 0.39 0.55 -0.49 1.57 3.08 -1.13 0.39 114.38 118.73 1wrp h ARG 56 Ca 0.11 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1wrp h ARG 56 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1wrp h ARG 56 CO -0.01 0.51 0.30 0.82 -1.07 0.00 0.00 179.97 180.52 1wrp h ILE 57 N 0.45 1.15 -0.10 2.04 2.04 -0.92 -0.03 117.51 122.14 1wrp h ILE 57 Ca 0.12 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1wrp h ILE 57 Cb 0.16 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1wrp h ILE 57 CO -0.01 0.15 0.06 0.58 0.00 0.00 0.00 178.15 178.93 1wrp h VAL 58 N 0.66 1.06 -0.36 1.67 2.07 -0.53 -2.19 116.25 118.63 1wrp h VAL 58 Ca 0.18 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1wrp h VAL 58 Cb -0.01 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 1wrp h VAL 58 CO -0.03 0.05 -0.27 -0.08 0.02 0.00 0.00 177.57 177.26 1wrp h GLU 59 N 0.10 -0.21 0.00 1.57 4.81 0.43 -2.19 114.58 119.08 1wrp h GLU 59 Ca 0.04 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1wrp h GLU 59 Cb 0.03 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1wrp h GLU 59 CO -0.01 -0.14 -0.15 0.93 -0.73 0.00 0.00 179.01 178.91 1wrp h GLU 60 N -0.22 0.00 -0.19 1.92 4.39 -1.01 -2.38 114.58 117.10 1wrp h GLU 60 Ca 0.17 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 1wrp h GLU 60 Cb 0.50 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1wrp h GLU 60 CO -0.49 0.15 -0.58 -0.07 -1.16 0.00 0.00 179.01 176.86 1wrp h LEU 61 N 0.00 0.83 -0.40 1.33 3.38 -0.93 -2.52 115.31 117.01 1wrp h LEU 61 Ca -0.00 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 57.26 1wrp h LEU 61 Cb 0.92 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1wrp h LEU 61 CO 0.02 1.28 -0.20 -0.07 0.09 0.00 0.00 178.44 179.56 1wrp h LEU 62 N 0.44 0.87 -0.64 1.67 3.38 -1.35 -3.15 115.31 116.54 1wrp h LEU 62 Ca -0.02 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1wrp h LEU 62 Cb 1.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1wrp h LEU 62 CO 0.12 1.09 0.36 -0.09 0.09 0.00 0.00 178.44 180.01 1wrp h ARG 63 N 0.65 0.88 -0.37 1.13 2.43 -1.40 -3.47 114.38 114.22 1wrp h ARG 63 Ca 0.09 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1wrp h ARG 63 Cb 0.76 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1wrp h ARG 63 CO 0.06 0.65 -0.09 0.41 -1.51 0.00 0.00 179.97 179.49 1wrp n GLY 64 N -1.09 0.48 0.23 2.80 0.00 -0.95 -4.94 105.19 101.72 1wrp n GLY 64 Ca 0.05 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 1wrp n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wrp n GLU 65 N -2.24 0.52 -2.14 1.61 -0.58 -1.26 -4.99 120.64 111.56 1wrp n GLU 65 Ca -0.05 0.20 -0.41 0.00 -0.42 0.00 0.00 57.16 56.49 1wrp n GLU 65 Cb 0.31 -1.37 -0.03 0.00 -0.57 0.00 0.00 31.44 29.79 1wrp n GLU 65 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1wrp s MET 66 N -2.44 4.36 0.54 3.49 -1.94 -1.26 -5.03 119.30 117.02 1wrp s MET 66 Ca -0.33 2.16 -0.00 0.00 -1.71 0.00 0.00 55.69 55.82 1wrp s MET 66 Cb 0.12 -3.12 0.02 0.00 2.01 0.00 0.00 34.83 33.86 1wrp s MET 66 CO 0.44 -0.23 0.77 -1.54 -0.01 0.00 0.00 175.02 174.45 1wrp s SER 67 N -0.08 5.41 0.17 3.03 1.04 -1.26 -4.88 113.70 117.14 1wrp s SER 67 Ca 0.53 0.15 -0.26 0.00 0.48 0.00 0.00 55.95 56.85 1wrp s SER 67 Cb -0.39 -1.12 0.03 0.00 0.10 0.00 0.00 66.02 64.64 1wrp s SER 67 CO 0.46 -1.05 1.56 1.56 0.98 0.00 0.00 173.24 176.75 1wrp h GLN 68 N 0.10 -0.19 -0.37 4.02 7.50 -1.96 0.27 115.11 124.48 1wrp h GLN 68 Ca -0.44 0.01 -0.05 0.00 0.50 0.00 0.00 58.65 58.68 1wrp h GLN 68 Cb 1.28 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.84 1wrp h GLN 68 CO 0.55 -0.12 0.02 0.00 -1.50 0.00 0.00 178.83 177.77 1wrp h ARG 69 N -0.19 0.58 -0.03 1.46 3.08 -1.95 -2.65 114.38 114.67 1wrp h ARG 69 Ca 0.18 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1wrp h ARG 69 Cb 0.55 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1wrp h ARG 69 CO -0.74 0.59 0.01 0.93 -1.07 0.00 0.00 179.97 179.69 1wrp h GLU 70 N 0.55 0.04 -0.39 0.04 5.08 -1.58 -1.81 114.58 116.52 1wrp h GLU 70 Ca 0.12 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1wrp h GLU 70 Cb 0.33 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1wrp h GLU 70 CO 0.01 0.24 0.13 -0.07 -1.00 0.00 0.00 179.01 178.32 1wrp h LEU 71 N -0.16 0.13 -0.04 1.33 3.38 -0.93 0.64 115.31 119.67 1wrp h LEU 71 Ca 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1wrp h LEU 71 Cb 0.22 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wrp h LEU 71 CO -0.00 0.11 0.00 0.50 0.09 0.00 0.00 178.44 179.14 1wrp h LYS 72 N 0.28 0.07 0.00 1.13 3.64 -1.04 -0.06 116.57 120.59 1wrp h LYS 72 Ca 0.18 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1wrp h LYS 72 Cb 0.16 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1wrp h LYS 72 CO -0.19 0.34 -0.87 -0.91 -2.27 0.00 0.00 179.45 175.56 1wrp h ASN 73 N -0.22 0.00 0.01 4.20 4.21 -1.28 -1.47 115.58 121.04 1wrp h ASN 73 Ca 0.01 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.14 1wrp h ASN 73 Cb 0.31 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.44 1wrp h ASN 73 CO 0.00 0.87 -2.42 -0.62 -1.29 0.00 0.00 177.43 173.97 1wrp n GLU 74 N -3.46 0.67 0.00 0.81 1.02 0.21 -4.66 120.64 115.24 1wrp n GLU 74 Ca -0.00 0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.25 1wrp n GLU 74 Cb 0.84 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.72 1wrp n GLU 74 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wrp n LEU 75 N -3.00 0.89 -0.18 -4.62 4.77 -0.11 -5.01 117.00 109.75 1wrp n LEU 75 Ca -0.39 -0.69 -0.02 0.00 -0.03 0.00 0.00 56.01 54.89 1wrp n LEU 75 Cb 1.08 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1wrp n LEU 75 CO 0.35 0.19 -0.02 0.61 -1.33 0.00 0.00 177.39 177.19 1wrp n GLY 76 N 0.92 0.36 3.24 -0.72 0.00 -0.56 -4.94 105.19 103.50 1wrp n GLY 76 Ca 0.03 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1wrp n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrp s ALA 77 N -2.08 3.20 0.48 4.61 0.00 -0.77 -4.88 121.76 122.32 1wrp s ALA 77 Ca 0.00 -2.13 0.03 0.00 0.00 0.00 0.00 51.96 49.87 1wrp s ALA 77 Cb 0.00 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1wrp s ALA 77 CO 0.00 -1.60 0.68 0.20 0.00 0.00 0.00 175.76 175.04 1wrp s GLY 78 N 1.91 1.80 0.16 0.00 0.00 -1.26 -2.02 107.32 107.92 1wrp s GLY 78 Ca 0.03 -1.39 0.08 0.00 0.00 0.00 0.00 44.72 43.43 1wrp s GLY 78 CO 0.01 -1.17 0.72 1.39 0.00 0.00 0.00 173.10 174.05 1wrp n ILE 79 N -2.12 -0.19 0.28 0.90 5.41 -1.26 -1.15 119.36 121.24 1wrp n ILE 79 Ca 0.06 0.94 -0.12 0.00 1.00 0.00 0.00 62.75 64.64 1wrp n ILE 79 Cb 0.59 -1.50 -0.06 0.00 -0.71 0.00 0.00 39.64 37.97 1wrp n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wrp h ALA 80 N 0.91 -0.86 -0.59 -1.39 0.00 -1.98 -1.49 119.26 113.86 1wrp h ALA 80 Ca 0.37 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1wrp h ALA 80 Cb 0.93 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1wrp h ALA 80 CO -0.37 -0.81 0.24 1.15 0.00 0.00 0.00 179.25 179.46 1wrp h THR 81 N -1.04 0.82 0.00 0.00 2.02 -1.49 0.34 112.91 113.56 1wrp h THR 81 Ca -0.08 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1wrp h THR 81 Cb 0.58 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1wrp h THR 81 CO 0.13 0.08 -0.09 0.40 0.37 0.00 0.00 175.52 176.40 1wrp h ILE 82 N 0.44 0.28 0.01 3.11 1.08 -1.44 0.72 117.51 121.70 1wrp h ILE 82 Ca 0.29 -0.67 -0.09 0.00 -0.39 0.00 0.00 64.86 64.00 1wrp h ILE 82 Cb 0.32 1.52 0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1wrp h ILE 82 CO -0.27 0.09 -0.35 0.74 -0.69 0.00 0.00 178.15 177.67 1wrp h THR 83 N 0.00 1.54 -0.12 -0.27 2.02 0.14 -2.41 112.91 113.81 1wrp h THR 83 Ca -0.00 -2.06 0.03 0.00 0.77 0.00 0.00 66.41 65.14 1wrp h THR 83 Cb 0.51 2.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.73 1wrp h THR 83 CO 0.01 0.57 -0.04 0.03 0.37 0.00 0.00 175.52 176.46 1wrp h ARG 84 N -0.46 -0.01 -0.67 6.66 3.08 0.06 -1.97 114.38 121.06 1wrp h ARG 84 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1wrp h ARG 84 Cb 1.13 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1wrp h ARG 84 CO 0.07 -0.01 0.40 0.78 -1.07 0.00 0.00 179.97 180.14 1wrp h GLY 85 N -0.01 0.98 0.80 0.04 0.00 -0.98 -2.43 103.07 101.46 1wrp h GLY 85 Ca 0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1wrp h GLY 85 CO -0.13 0.40 -0.37 0.23 0.00 0.00 0.00 176.54 176.67 1wrp h SER 86 N 0.92 -0.88 0.23 0.19 0.87 -1.03 -2.24 113.55 111.61 1wrp h SER 86 Ca 0.24 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1wrp h SER 86 Cb -0.01 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1wrp h SER 86 CO -0.04 -0.52 -0.20 0.78 -0.53 0.00 0.00 176.83 176.33 1wrp h ASN 87 N -1.26 0.00 -0.00 6.23 -0.26 -1.48 -1.11 115.58 117.70 1wrp h ASN 87 Ca -0.11 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.56 1wrp h ASN 87 Cb 0.80 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.05 1wrp h ASN 87 CO 0.17 0.20 -0.20 0.28 -1.06 0.00 0.00 177.43 176.81 1wrp h SER 88 N 0.00 0.36 -0.09 5.81 0.02 -1.39 -0.92 113.55 117.33 1wrp h SER 88 Ca -0.00 -0.10 -0.23 0.00 -0.84 0.00 0.00 61.79 60.62 1wrp h SER 88 Cb 0.36 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1wrp h SER 88 CO 0.03 0.58 -0.84 0.25 -1.14 0.00 0.00 176.83 175.70 1wrp h LEU 89 N 0.33 0.90 -1.23 5.07 5.85 -0.61 -3.02 115.31 122.61 1wrp h LEU 89 Ca 0.06 -0.67 -0.07 0.00 0.84 0.00 0.00 57.88 58.04 1wrp h LEU 89 Cb 0.55 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1wrp h LEU 89 CO 0.04 1.44 -0.22 0.11 -0.34 0.00 0.00 178.44 179.47 1wrp h LYS 90 N 0.44 0.26 0.00 1.25 1.57 -1.10 -2.83 116.57 116.16 1wrp h LYS 90 Ca -0.08 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1wrp h LYS 90 Cb 1.48 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1wrp h LYS 90 CO 0.17 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 1wrp h ALA 91 N 1.54 1.00 -2.74 3.86 0.00 -1.14 -3.45 119.26 118.33 1wrp h ALA 91 Ca 0.04 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.45 1wrp h ALA 91 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.35 1wrp h ALA 91 CO 0.04 0.00 0.48 0.00 0.00 0.00 0.00 179.25 179.77 1wrp s ALA 92 N -3.33 3.30 0.67 0.00 0.00 -1.07 -5.01 121.76 116.32 1wrp s ALA 92 Ca 0.06 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 1wrp s ALA 92 Cb 0.07 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1wrp s ALA 92 CO 0.62 -0.30 1.23 -1.25 0.00 0.00 0.00 175.76 176.06 1wrp s PRO 93 N -1.87 2.50 0.61 0.00 0.04 -1.26 -4.86 135.00 130.15 1wrp s PRO 93 Ca 0.50 1.84 0.32 0.00 0.04 0.00 0.00 61.00 63.70 1wrp s PRO 93 Cb -0.31 -1.87 1.86 0.00 0.04 0.00 0.00 34.50 34.22 1wrp s PRO 93 CO 0.39 -1.57 2.20 -0.24 0.04 0.00 0.00 177.00 177.82 1wrp h VAL 94 N 0.27 0.39 -0.25 -0.36 3.04 -1.94 -2.28 116.25 115.12 1wrp h VAL 94 Ca -0.49 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.05 1wrp h VAL 94 Cb 1.30 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 1wrp h VAL 94 CO 0.52 0.00 -0.44 -0.33 -1.01 0.00 0.00 177.57 176.31 1wrp h GLU 95 N 0.00 0.62 -0.18 4.17 3.07 -1.99 -0.18 114.58 120.09 1wrp h GLU 95 Ca 0.03 -0.34 -0.08 0.00 -0.50 0.00 0.00 59.36 58.47 1wrp h GLU 95 Cb 0.21 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1wrp h GLU 95 CO -0.00 0.94 -0.21 1.25 -1.40 0.00 0.00 179.01 179.59 1wrp h LEU 96 N 0.50 0.49 -0.81 1.33 5.85 -1.77 -1.95 115.31 118.95 1wrp h LEU 96 Ca 0.03 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1wrp h LEU 96 Cb 0.97 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1wrp h LEU 96 CO 0.09 0.89 0.52 0.03 -0.34 0.00 0.00 178.44 179.63 1wrp h ARG 97 N 0.11 0.98 0.04 1.25 3.08 -1.48 0.21 114.38 118.56 1wrp h ARG 97 Ca 0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1wrp h ARG 97 Cb 0.77 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1wrp h ARG 97 CO 0.05 0.65 -0.02 1.96 -1.07 0.00 0.00 179.97 181.54 1wrp h GLN 98 N 1.01 -0.05 -0.41 0.04 4.20 -1.05 -2.84 115.11 116.01 1wrp h GLN 98 Ca 0.33 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.08 1wrp h GLN 98 Cb 0.01 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1wrp h GLN 98 CO -0.12 0.15 0.16 2.35 -0.67 0.00 0.00 178.83 180.71 1wrp h TRP 99 N -0.25 0.29 -0.96 2.96 7.01 -0.82 -1.91 115.95 122.27 1wrp h TRP 99 Ca -0.01 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.08 1wrp h TRP 99 Cb 0.23 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.16 1wrp h TRP 99 CO -0.01 0.12 0.62 -0.07 -2.79 0.00 0.00 178.44 176.32 1wrp h LEU 100 N 0.34 0.97 0.15 0.65 3.38 -0.59 -0.97 115.31 119.23 1wrp h LEU 100 Ca 0.19 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1wrp h LEU 100 Cb 0.15 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1wrp h LEU 100 CO -0.17 0.61 -0.33 -0.33 0.09 0.00 0.00 178.44 178.31 1wrp h GLU 101 N 1.09 -0.55 -0.04 1.13 4.39 -1.10 0.79 114.58 120.30 1wrp h GLU 101 Ca 0.42 0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.17 1wrp h GLU 101 Cb 0.21 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1wrp h GLU 101 CO -0.17 -0.37 -0.05 1.49 -1.16 0.00 0.00 179.01 178.76 1wrp h GLU 102 N -0.57 -0.06 0.00 2.33 4.81 -1.23 -2.82 114.58 117.04 1wrp h GLU 102 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1wrp h GLU 102 Cb 0.59 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1wrp h GLU 102 CO -0.18 -0.04 -0.00 0.28 -0.73 0.00 0.00 179.01 178.34 1wrp h VAL 103 N -0.07 1.72 0.06 0.32 2.07 -0.96 -3.38 116.25 116.02 1wrp h VAL 103 Ca 0.03 -2.13 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 1wrp h VAL 103 Cb 0.11 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1wrp h VAL 103 CO -0.08 0.55 -0.03 -0.07 0.02 0.00 0.00 177.57 177.97 1wrp h LEU 104 N -0.90 -0.07 -0.15 2.57 3.38 0.44 -3.50 115.31 117.08 1wrp h LEU 104 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1wrp h LEU 104 Cb 0.91 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1wrp h LEU 104 CO 0.00 0.64 0.00 0.18 0.09 0.00 0.00 178.44 179.35