#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rdp n PRO 2 N 0.00 1.57 0.00 1.09 -0.02 -1.26 -4.94 135.00 131.44 1rdp n PRO 2 Ca 0.00 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 1rdp n PRO 2 Cb 0.00 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 30.97 1rdp n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1rdp n GLN 3 N -0.79 0.00 -3.85 -0.52 6.02 -1.26 -4.98 117.38 112.00 1rdp n GLN 3 Ca 0.10 -0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 1rdp n GLN 3 Cb 0.44 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 1rdp n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rdp s ASN 4 N -3.00 -0.24 0.36 1.08 2.20 -1.26 -5.06 114.94 109.02 1rdp s ASN 4 Ca 0.08 -0.63 0.09 0.00 -0.94 0.00 0.00 52.86 51.47 1rdp s ASN 4 Cb 0.16 0.66 0.69 0.00 -2.00 0.00 0.00 41.25 40.76 1rdp s ASN 4 CO 0.84 -1.23 1.84 -0.29 -2.94 0.00 0.00 177.10 175.33 1rdp h ILE 5 N 2.09 1.23 -0.26 0.54 2.10 -1.96 -1.82 117.51 119.43 1rdp h ILE 5 Ca -0.23 -1.06 -0.07 0.00 1.08 0.00 0.00 64.86 64.58 1rdp h ILE 5 Cb 1.26 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 38.40 1rdp h ILE 5 CO 0.29 0.32 -0.12 0.74 -1.08 0.00 0.00 178.15 178.30 1rdp h THR 6 N 0.18 1.30 -0.56 2.19 2.02 -1.99 0.04 112.91 116.08 1rdp h THR 6 Ca 0.03 -1.20 -0.10 0.00 0.77 0.00 0.00 66.41 65.92 1rdp h THR 6 Cb 0.54 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1rdp h THR 6 CO 0.04 0.37 -0.02 0.44 0.37 0.00 0.00 175.52 176.72 1rdp h ASP 7 N 0.27 1.00 -0.44 4.18 3.32 -1.95 -2.27 116.42 120.52 1rdp h ASP 7 Ca 0.06 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1rdp h ASP 7 Cb 0.62 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1rdp h ASP 7 CO 0.04 1.07 0.27 0.25 -1.72 0.00 0.00 179.24 179.15 1rdp h LEU 8 N 0.90 0.46 -1.25 1.55 6.46 -1.19 -2.88 115.31 119.36 1rdp h LEU 8 Ca 0.16 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1rdp h LEU 8 Cb 0.58 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 1rdp h LEU 8 CO 0.03 0.33 0.39 0.00 -0.62 0.00 0.00 178.44 178.57 1rdp n ALA 10 N -2.44 1.71 1.15 0.00 0.00 -0.88 -2.44 120.51 117.62 1rdp n ALA 10 Ca 0.07 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1rdp n ALA 10 Cb 0.08 -1.27 0.61 0.00 0.00 0.00 0.00 19.45 18.88 1rdp n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rdp n GLU 11 N -1.56 0.34 -4.50 0.00 1.02 -0.78 -4.84 120.64 110.32 1rdp n GLU 11 Ca 0.04 0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.94 1rdp n GLU 11 Cb 0.19 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.97 1rdp n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rdp s TYR 12 N -2.58 2.26 0.55 -0.32 1.51 -1.02 -5.13 117.35 112.61 1rdp s TYR 12 Ca 0.23 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.75 1rdp s TYR 12 Cb 0.16 -1.26 -0.07 0.00 -0.11 0.00 0.00 41.96 40.69 1rdp s TYR 12 CO 0.37 0.28 1.00 -1.01 -1.11 0.00 0.00 175.55 175.08 1rdp s HIS 13 N -1.01 3.49 -1.65 2.71 3.76 -1.26 -4.21 115.29 117.12 1rdp s HIS 13 Ca 0.13 1.42 -0.02 0.00 -0.15 0.00 0.00 55.06 56.43 1rdp s HIS 13 Cb -0.10 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 30.82 1rdp s HIS 13 CO 0.05 -0.49 0.32 0.09 -0.85 0.00 0.00 174.74 173.86 1rdp n ASN 14 N -1.94 -6.01 -4.54 1.40 4.13 -1.26 -4.96 115.26 102.07 1rdp n ASN 14 Ca 0.06 -0.16 -0.24 0.00 1.68 0.00 0.00 54.58 55.92 1rdp n ASN 14 Cb 0.54 -4.92 -0.09 0.00 -1.54 0.00 0.00 39.78 33.77 1rdp n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1rdp s THR 15 N -3.11 2.62 0.15 3.41 -4.23 -1.26 -0.79 115.64 112.43 1rdp s THR 15 Ca 0.16 -2.20 -0.16 0.00 -1.18 0.00 0.00 61.69 58.30 1rdp s THR 15 Cb -0.07 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1rdp s THR 15 CO 0.20 -0.32 0.43 0.00 -0.54 0.00 0.00 174.62 174.39 1rdp s GLN 16 N -3.60 1.16 -0.08 3.99 -2.07 -0.34 -4.89 119.66 113.83 1rdp s GLN 16 Ca 0.32 -0.76 -0.18 0.00 -1.82 0.00 0.00 55.36 52.92 1rdp s GLN 16 Cb -0.03 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 32.33 1rdp s GLN 16 CO 0.17 -0.46 0.49 0.42 -1.32 0.00 0.00 175.29 174.59 1rdp s ILE 17 N -3.83 5.11 -0.14 3.63 -1.09 -1.26 -1.38 121.20 122.24 1rdp s ILE 17 Ca 0.05 1.00 -0.03 0.00 -2.23 0.00 0.00 60.65 59.44 1rdp s ILE 17 Cb 0.01 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1rdp s ILE 17 CO -0.09 0.38 -0.05 -1.00 -1.23 0.00 0.00 174.94 172.95 1rdp s HIS 18 N 0.21 3.01 -0.26 3.97 3.76 -0.06 -4.99 115.29 120.92 1rdp s HIS 18 Ca 0.27 -0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 54.83 1rdp s HIS 18 Cb -0.16 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 1rdp s HIS 18 CO 0.12 0.03 0.13 0.99 -0.85 0.00 0.00 174.74 175.16 1rdp s THR 19 N 0.14 4.87 -0.22 1.30 2.01 -1.26 -1.20 115.64 121.28 1rdp s THR 19 Ca -0.02 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 1rdp s THR 19 Cb -0.14 -3.29 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 1rdp s THR 19 CO 0.03 0.31 -0.27 0.18 -0.69 0.00 0.00 174.62 174.18 1rdp n LEU 20 N 4.82 1.68 -4.10 4.42 7.99 0.32 -5.01 117.00 127.12 1rdp n LEU 20 Ca -0.15 0.23 -0.29 0.00 -0.01 0.00 0.00 56.01 55.79 1rdp n LEU 20 Cb 0.52 -0.65 -0.04 0.00 -0.11 0.00 0.00 43.42 43.14 1rdp n LEU 20 CO 0.32 0.49 -0.27 0.59 -1.51 0.00 0.00 177.39 177.02 1rdp n ASN 21 N -3.89 -0.40 -3.58 -1.43 3.02 0.41 -4.95 115.26 104.45 1rdp n ASN 21 Ca -0.42 -1.08 -0.12 0.00 -0.03 0.00 0.00 54.58 52.92 1rdp n ASN 21 Cb 0.81 -2.60 -0.05 0.00 -0.61 0.00 0.00 39.78 37.34 1rdp n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rdp s ASP 22 N -4.21 -0.38 0.75 6.41 2.15 -0.76 -4.90 116.67 115.72 1rdp s ASP 22 Ca 0.12 -0.01 -0.11 0.00 0.43 0.00 0.00 52.55 52.98 1rdp s ASP 22 Cb -0.07 0.49 0.04 0.00 -0.30 0.00 0.00 42.92 43.09 1rdp s ASP 22 CO 0.93 -0.79 1.08 -1.59 -0.17 0.00 0.00 175.17 174.63 1rdp s LYS 23 N -3.01 2.47 0.16 4.34 -2.85 -1.26 -0.86 119.74 118.73 1rdp s LYS 23 Ca -0.02 0.88 -0.30 0.00 -1.00 0.00 0.00 55.97 55.52 1rdp s LYS 23 Cb -0.00 -1.94 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 1rdp s LYS 23 CO -0.06 -1.41 1.23 0.42 0.10 0.00 0.00 175.35 175.63 1rdp s ILE 24 N -3.05 3.57 -0.04 3.79 1.01 -1.26 -4.70 121.20 120.51 1rdp s ILE 24 Ca 0.60 1.26 -0.11 0.00 0.00 0.00 0.00 60.65 62.39 1rdp s ILE 24 Cb -0.15 -3.80 -0.31 0.00 0.01 0.00 0.00 42.46 38.21 1rdp s ILE 24 CO 0.55 0.17 0.71 0.15 0.00 0.00 0.00 174.94 176.52 1rdp h PHE 25 N 5.66 0.73 -3.50 3.97 3.57 -0.97 -3.48 116.94 122.93 1rdp h PHE 25 Ca -0.44 -0.54 -0.14 0.00 3.53 0.00 0.00 57.97 60.39 1rdp h PHE 25 Cb 1.21 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.72 1rdp h PHE 25 CO 0.63 1.66 -0.47 -1.54 -2.23 0.00 0.00 178.31 176.36 1rdp s SER 26 N -7.31 0.02 -0.08 0.41 1.04 -0.94 -4.97 113.70 101.86 1rdp s SER 26 Ca -0.15 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1rdp s SER 26 Cb 0.05 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.42 1rdp s SER 26 CO 0.86 -0.41 -0.08 -0.47 0.98 0.00 0.00 173.24 174.13 1rdp s TYR 27 N -1.58 1.27 -0.04 5.02 5.04 -1.26 -1.84 117.35 123.96 1rdp s TYR 27 Ca -0.13 -0.53 0.05 0.00 -2.44 0.00 0.00 57.07 54.01 1rdp s TYR 27 Cb -0.06 -1.05 -0.01 0.00 0.35 0.00 0.00 41.96 41.19 1rdp s TYR 27 CO 0.01 -0.37 -0.18 0.99 -1.34 0.00 0.00 175.55 174.66 1rdp s THR 28 N 1.31 1.46 0.01 4.34 2.01 0.16 -5.00 115.64 119.92 1rdp s THR 28 Ca -0.03 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 1rdp s THR 28 Cb -0.14 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 1rdp s THR 28 CO -0.03 0.42 0.01 -1.83 -0.69 0.00 0.00 174.62 172.50 1rdp s GLU 29 N -0.04 0.26 -0.02 4.92 -1.05 -1.26 -0.58 118.70 120.93 1rdp s GLU 29 Ca -0.02 -0.41 0.04 0.00 -0.15 0.00 0.00 54.97 54.43 1rdp s GLU 29 Cb -0.11 0.10 -0.01 0.00 -0.44 0.00 0.00 34.13 33.67 1rdp s GLU 29 CO 0.02 -0.05 -0.14 0.45 0.95 0.00 0.00 175.26 176.49 1rdp s SER 30 N -1.05 1.67 0.00 0.83 0.15 -0.60 -5.01 113.70 109.67 1rdp s SER 30 Ca -0.12 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.43 1rdp s SER 30 Cb -0.07 -0.29 0.36 0.00 -1.71 0.00 0.00 66.02 64.31 1rdp s SER 30 CO -0.00 0.15 1.28 0.00 1.20 0.00 0.00 173.24 175.86 1rdp n LEU 31 N 2.91 3.08 -4.77 3.45 -0.00 -1.26 -3.06 117.00 117.36 1rdp n LEU 31 Ca -0.16 -1.78 -0.39 0.00 -0.00 0.00 0.00 56.01 53.69 1rdp n LEU 31 Cb 0.55 -0.25 -0.01 0.00 -0.00 0.00 0.00 43.42 43.70 1rdp n LEU 31 CO 0.25 0.73 0.91 0.00 -0.00 0.00 0.00 177.39 179.28 1rdp s ALA 32 N -1.07 3.23 0.21 1.47 0.00 -1.26 -4.83 121.76 119.51 1rdp s ALA 32 Ca 0.29 1.13 -0.32 0.00 0.00 0.00 0.00 51.96 53.07 1rdp s ALA 32 Cb 0.16 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.72 1rdp s ALA 32 CO 0.22 -0.70 1.66 0.20 0.00 0.00 0.00 175.76 177.14 1rdp s GLY 33 N -0.88 1.45 0.00 0.00 0.00 -1.26 -1.29 107.32 105.35 1rdp s GLY 33 Ca 0.56 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.82 1rdp s GLY 33 CO 0.45 2.76 0.00 0.28 0.00 0.00 0.00 173.10 176.59 1rdp n LYS 34 N 3.67 -0.11 -2.57 2.90 4.76 -1.26 -4.82 118.16 120.73 1rdp n LYS 34 Ca 0.14 0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.51 1rdp n LYS 34 Cb 0.36 -3.06 0.04 0.00 -1.84 0.00 0.00 35.03 30.53 1rdp n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rdp n ARG 35 N -2.03 2.29 -2.70 1.97 5.12 -0.41 -4.96 116.66 115.94 1rdp n ARG 35 Ca 0.00 -3.72 -0.42 0.00 -1.93 0.00 0.00 57.85 51.77 1rdp n ARG 35 Cb 0.03 -1.79 -0.02 0.00 -1.16 0.00 0.00 32.46 29.52 1rdp n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1rdp s GLU 36 N -3.65 3.73 0.20 5.56 8.01 -1.15 -4.35 118.70 127.05 1rdp s GLU 36 Ca 0.35 -1.62 -0.08 0.00 0.01 0.00 0.00 54.97 53.63 1rdp s GLU 36 Cb 0.37 -5.26 -0.01 0.00 -4.31 0.00 0.00 34.13 24.92 1rdp s GLU 36 CO -0.02 -2.06 0.31 0.00 0.01 0.00 0.00 175.26 173.50 1rdp s MET 37 N 3.88 1.29 0.09 1.61 0.23 -1.17 -4.16 119.30 121.06 1rdp s MET 37 Ca 0.44 -1.31 0.08 0.00 -1.03 0.00 0.00 55.69 53.88 1rdp s MET 37 Cb -0.01 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1rdp s MET 37 CO -0.05 -0.48 -0.22 0.00 -2.03 0.00 0.00 175.02 172.24 1rdp s ALA 38 N -4.03 1.90 -0.03 3.16 0.00 -1.20 -1.56 121.76 119.99 1rdp s ALA 38 Ca 0.24 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1rdp s ALA 38 Cb 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1rdp s ALA 38 CO 0.06 0.40 -0.09 0.42 0.00 0.00 0.00 175.76 176.55 1rdp s ILE 39 N -1.03 0.84 0.14 0.00 1.01 0.25 -0.93 121.20 121.49 1rdp s ILE 39 Ca 0.08 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1rdp s ILE 39 Cb -0.10 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1rdp s ILE 39 CO 0.04 0.27 -0.24 0.27 0.00 0.00 0.00 174.94 175.28 1rdp s ILE 40 N 0.33 2.09 0.19 2.92 -4.36 0.05 -0.66 121.20 121.76 1rdp s ILE 40 Ca -0.06 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 58.61 1rdp s ILE 40 Cb -0.10 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 1rdp s ILE 40 CO 0.01 -0.04 -0.11 0.42 0.24 0.00 0.00 174.94 175.46 1rdp s THR 41 N -1.33 1.46 0.36 8.37 -4.23 -0.77 -1.07 115.64 118.43 1rdp s THR 41 Ca 0.14 -2.13 0.08 0.00 -1.18 0.00 0.00 61.69 58.60 1rdp s THR 41 Cb -0.09 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1rdp s THR 41 CO 0.06 -0.59 0.10 -0.36 -0.54 0.00 0.00 174.62 173.29 1rdp s PHE 42 N -3.15 2.61 0.24 3.99 0.40 -0.43 -0.30 117.98 121.35 1rdp s PHE 42 Ca 0.22 -0.46 0.34 0.00 -0.60 0.00 0.00 56.93 56.43 1rdp s PHE 42 Cb 0.02 -1.66 1.53 0.00 0.51 0.00 0.00 43.02 43.41 1rdp s PHE 42 CO 0.05 0.36 2.05 1.57 0.70 0.00 0.00 175.22 179.95 1rdp h LYS 43 N 1.63 0.00 0.00 0.44 2.10 -1.89 0.32 116.57 119.17 1rdp h LYS 43 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1rdp h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1rdp h LYS 43 CO 0.67 0.03 0.00 0.27 -2.00 0.00 0.00 179.45 178.42 1rdp n ASN 44 N -3.17 0.00 0.00 7.07 0.23 -1.26 -4.88 115.26 113.26 1rdp n ASN 44 Ca -0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 54.58 53.62 1rdp n ASN 44 Cb 0.27 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1rdp n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rdp n GLY 45 N 0.38 1.04 3.74 4.83 0.00 0.10 -5.05 105.19 110.23 1rdp n GLY 45 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1rdp n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rdp s ALA 46 N -2.27 3.71 -0.03 4.61 0.00 -1.25 -4.75 121.76 121.78 1rdp s ALA 46 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1rdp s ALA 46 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1rdp s ALA 46 CO 0.00 -0.86 -0.15 0.99 0.00 0.00 0.00 175.76 175.74 1rdp s THR 47 N 0.17 1.19 0.02 0.00 2.01 -1.26 -1.31 115.64 116.46 1rdp s THR 47 Ca 0.63 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 1rdp s THR 47 Cb -0.45 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1rdp s THR 47 CO 0.44 0.34 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.34 1rdp s PHE 48 N -0.10 0.28 0.19 4.92 0.08 -0.23 -4.05 117.98 119.06 1rdp s PHE 48 Ca 0.01 -0.57 0.11 0.00 0.12 0.00 0.00 56.93 56.59 1rdp s PHE 48 Cb -0.08 -0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 1rdp s PHE 48 CO 0.01 -0.23 -0.21 1.14 -0.10 0.00 0.00 175.22 175.82 1rdp s GLN 49 N -1.85 1.62 -0.34 0.44 -2.07 -0.47 -0.77 119.66 116.22 1rdp s GLN 49 Ca -0.12 -1.49 -0.15 0.00 -1.82 0.00 0.00 55.36 51.79 1rdp s GLN 49 Cb -0.07 -1.90 -0.01 0.00 -1.09 0.00 0.00 33.01 29.94 1rdp s GLN 49 CO -0.02 0.40 0.34 0.08 -1.32 0.00 0.00 175.29 174.77 1rdp s VAL 50 N -1.69 5.19 0.65 3.63 1.01 -0.10 -0.66 120.40 128.44 1rdp s VAL 50 Ca 0.22 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.02 1rdp s VAL 50 Cb -0.08 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1rdp s VAL 50 CO 0.11 -0.07 1.30 -1.61 0.00 0.00 0.00 175.10 174.83 1rdp s GLU 51 N 1.95 2.51 0.25 2.72 2.02 -1.26 -3.21 118.70 123.68 1rdp s GLU 51 Ca 0.11 2.07 -0.31 0.00 0.02 0.00 0.00 54.97 56.86 1rdp s GLU 51 Cb -0.17 -1.84 -0.13 0.00 0.10 0.00 0.00 34.13 32.09 1rdp s GLU 51 CO 0.11 -1.63 1.42 0.28 0.02 0.00 0.00 175.26 175.46 1rdp n VAL 52 N -1.95 0.99 -1.74 2.63 0.31 -1.26 -4.87 118.33 112.43 1rdp n VAL 52 Ca 0.16 -0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 1rdp n VAL 52 Cb 0.48 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 1rdp n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1rdp n PRO 53 N 2.00 2.65 -2.17 5.55 -0.02 -1.26 -4.96 135.00 136.79 1rdp n PRO 53 Ca 0.11 0.94 -0.04 0.00 -2.02 0.00 0.00 63.50 62.50 1rdp n PRO 53 Cb 0.32 -2.73 -0.00 0.00 -0.02 0.00 0.00 33.50 31.07 1rdp n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rdp n GLY 54 N 2.37 2.41 0.26 -1.23 0.00 -1.26 -5.03 105.19 102.70 1rdp n GLY 54 Ca 0.10 -1.32 0.17 0.00 0.00 0.00 0.00 46.02 44.97 1rdp n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rdp h SER 55 N 0.63 0.00 0.55 1.61 4.64 -2.02 -1.23 113.55 117.72 1rdp h SER 55 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1rdp h SER 55 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1rdp h SER 55 CO 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 1rdp n GLN 56 N -2.82 0.06 -4.22 4.77 0.00 -1.26 -4.75 117.38 109.16 1rdp n GLN 56 Ca -0.01 0.18 -0.35 0.00 0.00 0.00 0.00 57.00 56.83 1rdp n GLN 56 Cb 0.17 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.82 1rdp n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1rdp s HIS 57 N -2.91 3.20 0.66 2.61 3.76 -0.47 -5.11 115.29 117.03 1rdp s HIS 57 Ca 0.10 0.08 -0.09 0.00 -0.15 0.00 0.00 55.06 55.00 1rdp s HIS 57 Cb 0.12 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.89 1rdp s HIS 57 CO 0.31 0.28 1.01 0.96 -0.85 0.00 0.00 174.74 176.46 1rdp s ILE 58 N -0.22 3.47 0.28 0.60 -4.36 -1.26 -4.88 121.20 114.82 1rdp s ILE 58 Ca 0.06 0.23 -0.02 0.00 -0.26 0.00 0.00 60.65 60.67 1rdp s ILE 58 Cb -0.12 -3.43 0.27 0.00 1.25 0.00 0.00 42.46 40.43 1rdp s ILE 58 CO 0.02 -0.52 1.90 0.44 0.24 0.00 0.00 174.94 177.02 1rdp h ASP 59 N -0.46 1.01 0.50 4.36 3.32 -1.99 -0.86 116.42 122.30 1rdp h ASP 59 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1rdp h ASP 59 Cb 1.26 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1rdp h ASP 59 CO 0.62 0.66 -0.06 0.77 -1.72 0.00 0.00 179.24 179.51 1rdp h SER 60 N 1.15 0.00 1.17 6.45 4.64 -2.04 -2.19 113.55 122.73 1rdp h SER 60 Ca 0.41 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.67 1rdp h SER 60 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1rdp h SER 60 CO -0.15 0.06 -0.32 1.56 -0.87 0.00 0.00 176.83 177.11 1rdp h GLN 61 N 0.00 0.00 -0.16 4.77 4.20 -1.52 -3.36 115.11 119.04 1rdp h GLN 61 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1rdp h GLN 61 Cb 0.33 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1rdp h GLN 61 CO 0.01 0.32 -0.04 0.87 -0.67 0.00 0.00 178.83 179.32 1rdp h LYS 62 N 0.00 0.00 -0.79 1.46 1.57 -1.42 0.11 116.57 117.50 1rdp h LYS 62 Ca -0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1rdp h LYS 62 Cb 0.99 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 1rdp h LYS 62 CO 0.04 0.00 0.39 0.87 -0.57 0.00 0.00 179.45 180.19 1rdp h LYS 63 N 0.00 1.13 -0.17 3.15 1.57 -1.75 -2.80 116.57 117.69 1rdp h LYS 63 Ca 0.08 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1rdp h LYS 63 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1rdp h LYS 63 CO -0.16 0.86 -0.35 0.00 -0.57 0.00 0.00 179.45 179.22 1rdp h ALA 64 N 1.31 1.07 -0.33 3.86 0.00 -1.49 -0.69 119.26 122.99 1rdp h ALA 64 Ca 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rdp h ALA 64 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1rdp h ALA 64 CO -0.04 0.58 0.16 0.82 0.00 0.00 0.00 179.25 180.78 1rdp h ILE 65 N 0.31 1.15 -0.83 0.00 2.04 -0.60 -0.62 117.51 118.96 1rdp h ILE 65 Ca 0.04 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1rdp h ILE 65 Cb 0.78 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1rdp h ILE 65 CO 0.06 0.16 0.39 -0.33 0.00 0.00 0.00 178.15 178.43 1rdp h GLU 66 N 0.40 1.20 -0.62 2.37 4.39 -1.23 -2.27 114.58 118.82 1rdp h GLU 66 Ca 0.11 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1rdp h GLU 66 Cb 0.10 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1rdp h GLU 66 CO -0.02 0.93 0.35 -0.09 -1.16 0.00 0.00 179.01 179.03 1rdp h ARG 67 N 1.19 0.85 -0.89 2.33 2.43 -0.90 -2.15 114.38 117.24 1rdp h ARG 67 Ca 0.28 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1rdp h ARG 67 Cb 0.13 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1rdp h ARG 67 CO -0.03 0.63 0.49 1.98 -1.51 0.00 0.00 179.97 181.52 1rdp h MET 68 N 0.84 1.25 -0.54 0.20 4.05 -0.67 0.02 114.93 120.07 1rdp h MET 68 Ca 0.22 -0.15 -0.08 0.00 -0.28 0.00 0.00 59.70 59.41 1rdp h MET 68 Cb 0.02 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 1rdp h MET 68 CO -0.04 0.91 0.02 0.87 0.23 0.00 0.00 176.91 178.91 1rdp h LYS 69 N 1.25 0.91 -0.39 0.39 1.57 -1.21 0.07 116.57 119.16 1rdp h LYS 69 Ca 0.31 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1rdp h LYS 69 Cb 0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1rdp h LYS 69 CO -0.05 0.89 0.24 -0.44 -0.57 0.00 0.00 179.45 179.52 1rdp h ASP 70 N 0.84 0.40 -0.44 0.86 3.32 -0.71 -1.82 116.42 118.88 1rdp h ASP 70 Ca 0.16 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1rdp h ASP 70 Cb 0.47 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1rdp h ASP 70 CO 0.02 0.29 0.21 0.74 -1.72 0.00 0.00 179.24 178.78 1rdp h THR 71 N 0.49 1.18 -0.50 0.35 2.02 -0.49 -2.34 112.91 113.62 1rdp h THR 71 Ca 0.15 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 1rdp h THR 71 Cb -0.02 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1rdp h THR 71 CO -0.06 0.20 -0.05 -0.07 0.37 0.00 0.00 175.52 175.91 1rdp h LEU 72 N 0.57 0.86 -0.10 2.58 3.38 -0.86 0.04 115.31 121.79 1rdp h LEU 72 Ca 0.15 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1rdp h LEU 72 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1rdp h LEU 72 CO -0.02 0.95 0.06 -0.09 0.09 0.00 0.00 178.44 179.43 1rdp h ARG 73 N 0.81 0.13 -0.01 1.13 2.43 -1.18 -0.59 114.38 117.11 1rdp h ARG 73 Ca 0.14 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.12 1rdp h ARG 73 Cb 0.55 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1rdp h ARG 73 CO 0.03 0.14 -0.80 0.97 -1.51 0.00 0.00 179.97 178.80 1rdp h ILE 74 N 0.09 1.49 -0.59 1.20 6.09 -1.31 -0.55 117.51 123.95 1rdp h ILE 74 Ca 0.03 -2.52 0.00 0.00 -1.37 0.00 0.00 64.86 61.01 1rdp h ILE 74 Cb 0.04 2.38 -0.03 0.00 0.47 0.00 0.00 36.82 39.68 1rdp h ILE 74 CO -0.01 0.73 0.37 0.00 -3.07 0.00 0.00 178.15 176.18 1rdp h ALA 75 N 1.09 0.74 0.15 0.18 0.00 -0.89 -0.79 119.26 119.74 1rdp h ALA 75 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rdp h ALA 75 Cb 1.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1rdp h ALA 75 CO 0.12 0.20 -0.07 -0.92 0.00 0.00 0.00 179.25 178.57 1rdp h TYR 76 N 0.79 -0.18 0.00 0.00 3.20 -0.72 -1.49 116.97 118.57 1rdp h TYR 76 Ca 0.21 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 1rdp h TYR 76 Cb -0.06 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1rdp h TYR 76 CO -0.03 -0.11 -0.34 -0.07 -1.64 0.00 0.00 178.16 175.97 1rdp h LEU 77 N -0.20 0.00 -1.22 2.82 3.38 -0.85 -2.66 115.31 116.58 1rdp h LEU 77 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rdp h LEU 77 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1rdp h LEU 77 CO 0.03 0.34 0.00 0.35 0.09 0.00 0.00 178.44 179.26 1rdp n THR 78 N -3.89 0.01 -3.03 0.22 -2.24 -0.32 -4.95 114.28 100.08 1rdp n THR 78 Ca -0.01 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 1rdp n THR 78 Cb 0.41 0.76 0.02 0.00 -2.10 0.00 0.00 70.33 69.43 1rdp n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rdp n GLU 79 N 0.49 -4.36 -2.28 -0.78 1.02 -0.67 -4.94 120.64 109.13 1rdp n GLU 79 Ca 0.18 0.83 -0.41 0.00 -0.02 0.00 0.00 57.16 57.74 1rdp n GLU 79 Cb 0.42 -5.65 -0.03 0.00 -0.02 0.00 0.00 31.44 26.16 1rdp n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rdp s ALA 80 N -3.11 3.48 0.06 0.62 0.00 -0.65 -4.75 121.76 117.41 1rdp s ALA 80 Ca 0.29 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 1rdp s ALA 80 Cb -0.14 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 1rdp s ALA 80 CO 0.36 -0.45 1.37 0.21 0.00 0.00 0.00 175.76 177.25 1rdp s LYS 81 N -0.81 4.32 -0.15 0.00 2.20 -1.26 -4.27 119.74 119.78 1rdp s LYS 81 Ca 0.52 1.99 -0.21 0.00 -0.36 0.00 0.00 55.97 57.91 1rdp s LYS 81 Cb -0.36 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1rdp s LYS 81 CO 0.42 -0.46 0.60 0.08 -0.36 0.00 0.00 175.35 175.63 1rdp s VAL 82 N 1.60 5.07 -0.01 4.02 1.01 -0.04 -3.58 120.40 128.48 1rdp s VAL 82 Ca 0.63 1.17 -0.00 0.00 0.00 0.00 0.00 61.98 63.79 1rdp s VAL 82 Cb -0.34 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1rdp s VAL 82 CO 0.29 0.19 -0.00 -0.08 0.00 0.00 0.00 175.10 175.50 1rdp h GLU 83 N 7.15 0.00 -5.12 2.72 4.81 -1.09 0.14 114.58 123.20 1rdp h GLU 83 Ca -0.36 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.52 1rdp h GLU 83 Cb 1.16 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 1rdp h GLU 83 CO 0.76 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.46 1rdp s LYS 84 N -1.04 0.94 -0.06 1.92 1.02 -1.15 -0.53 119.74 120.85 1rdp s LYS 84 Ca -0.00 -1.24 0.06 0.00 0.02 0.00 0.00 55.97 54.81 1rdp s LYS 84 Cb 0.00 -0.66 -0.01 0.00 -0.52 0.00 0.00 37.83 36.64 1rdp s LYS 84 CO 0.00 0.11 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.79 1rdp s LEU 85 N -2.59 2.05 -0.17 3.17 1.43 -0.34 -1.20 118.68 121.03 1rdp s LEU 85 Ca 0.09 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 1rdp s LEU 85 Cb -0.02 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1rdp s LEU 85 CO 0.01 0.23 0.42 0.00 0.23 0.00 0.00 176.35 177.24 1rdp s VAL 87 N 1.07 0.82 -0.07 0.00 -7.23 -0.48 -0.37 120.40 114.13 1rdp s VAL 87 Ca 0.21 -1.42 -0.26 0.00 -1.81 0.00 0.00 61.98 58.71 1rdp s VAL 87 Cb -0.15 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.68 1rdp s VAL 87 CO 0.08 -0.47 0.80 0.26 -0.31 0.00 0.00 175.10 175.47 1rdp s TRP 88 N -1.97 3.57 -1.04 2.82 0.51 0.60 -1.20 118.94 122.23 1rdp s TRP 88 Ca -0.01 1.38 0.18 0.00 -2.12 0.00 0.00 56.10 55.53 1rdp s TRP 88 Cb -0.06 -2.93 0.68 0.00 -0.81 0.00 0.00 33.47 30.35 1rdp s TRP 88 CO 0.00 -0.00 1.59 0.27 -0.51 0.00 0.00 176.95 178.30 1rdp n ASN 89 N 4.10 4.59 -1.66 2.95 0.23 0.03 -1.69 115.26 123.81 1rdp n ASN 89 Ca 0.02 -2.46 0.06 0.00 -0.53 0.00 0.00 54.58 51.67 1rdp n ASN 89 Cb 0.51 -0.55 0.36 0.00 -2.08 0.00 0.00 39.78 38.01 1rdp n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1rdp n ASN 90 N 0.96 5.18 -4.22 0.53 6.94 -1.26 -4.91 115.26 118.48 1rdp n ASN 90 Ca 0.25 -3.00 -0.16 0.00 -0.02 0.00 0.00 54.58 51.64 1rdp n ASN 90 Cb 0.86 -0.66 -0.11 0.00 -2.36 0.00 0.00 39.78 37.51 1rdp n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1rdp s LYS 91 N -2.82 0.96 -0.11 -3.83 -0.14 -1.26 -5.10 119.74 107.45 1rdp s LYS 91 Ca 0.52 -1.23 -0.01 0.00 -1.36 0.00 0.00 55.97 53.89 1rdp s LYS 91 Cb 0.40 -0.73 0.03 0.00 -1.68 0.00 0.00 37.83 35.85 1rdp s LYS 91 CO 0.14 0.13 -0.07 0.99 -0.76 0.00 0.00 175.35 175.78 1rdp s THR 92 N -2.39 0.93 0.97 2.17 2.01 -1.26 -2.93 115.64 115.15 1rdp s THR 92 Ca 0.09 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 1rdp s THR 92 Cb -0.03 -0.97 0.18 0.00 0.01 0.00 0.00 72.50 71.68 1rdp s THR 92 CO 0.02 0.35 1.10 -2.84 -0.69 0.00 0.00 174.62 172.56 1rdp s PRO 93 N 1.74 0.57 0.48 4.92 0.02 -1.26 -5.06 135.00 136.41 1rdp s PRO 93 Ca 0.05 1.21 -0.23 0.00 0.02 0.00 0.00 61.00 62.05 1rdp s PRO 93 Cb -0.13 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 1rdp s PRO 93 CO -0.08 -2.83 1.09 0.72 -0.33 0.00 0.00 177.00 175.58 1rdp n HIS 94 N -4.33 1.41 -3.86 6.54 8.25 -1.15 -4.49 115.22 117.58 1rdp n HIS 94 Ca 0.08 0.50 -0.36 0.00 -0.26 0.00 0.00 57.72 57.69 1rdp n HIS 94 Cb 0.53 -2.25 -0.10 0.00 1.12 0.00 0.00 29.99 29.28 1rdp n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rdp s ALA 95 N -1.32 3.40 0.08 -1.41 0.00 -0.68 -1.37 121.76 120.45 1rdp s ALA 95 Ca 0.66 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 51.43 1rdp s ALA 95 Cb -0.50 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 1rdp s ALA 95 CO 0.54 -0.09 1.34 0.42 0.00 0.00 0.00 175.76 177.98 1rdp s ILE 96 N 0.87 3.55 -0.17 0.00 1.01 0.17 -0.29 121.20 126.34 1rdp s ILE 96 Ca 0.05 1.09 0.08 0.00 0.00 0.00 0.00 60.65 61.87 1rdp s ILE 96 Cb -0.13 -3.70 -0.16 0.00 0.01 0.00 0.00 42.46 38.47 1rdp s ILE 96 CO 0.03 0.07 -0.05 0.00 0.00 0.00 0.00 174.94 174.99 1rdp n ALA 97 N 4.19 1.60 -3.38 9.38 0.00 0.50 -4.83 120.51 127.96 1rdp n ALA 97 Ca 0.11 -0.94 -0.14 0.00 0.00 0.00 0.00 53.44 52.48 1rdp n ALA 97 Cb 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1rdp n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rdp s ALA 98 N -2.38 -1.52 0.00 0.00 0.00 -0.87 -4.98 121.76 112.02 1rdp s ALA 98 Ca -0.16 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1rdp s ALA 98 Cb 0.06 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1rdp s ALA 98 CO 0.55 -0.60 -0.07 -1.50 0.00 0.00 0.00 175.76 174.13 1rdp s ILE 99 N -2.85 0.56 0.02 0.00 2.07 -1.26 -1.18 121.20 118.56 1rdp s ILE 99 Ca -0.03 -0.42 0.08 0.00 -1.41 0.00 0.00 60.65 58.86 1rdp s ILE 99 Cb -0.00 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 42.06 1rdp s ILE 99 CO -0.05 0.08 -0.23 -0.94 -1.91 0.00 0.00 174.94 171.89 1rdp s SER 100 N -0.38 2.73 -0.07 4.50 1.04 -0.34 -5.01 113.70 116.17 1rdp s SER 100 Ca 0.01 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.98 1rdp s SER 100 Cb -0.04 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1rdp s SER 100 CO -0.00 0.24 -0.17 -0.04 0.98 0.00 0.00 173.24 174.24 1rdp s MET 101 N -0.92 2.11 0.06 4.02 -1.94 -1.26 -0.56 119.30 120.81 1rdp s MET 101 Ca 0.09 -0.61 -0.18 0.00 -1.71 0.00 0.00 55.69 53.28 1rdp s MET 101 Cb -0.09 -1.70 0.04 0.00 2.01 0.00 0.00 34.83 35.08 1rdp s MET 101 CO 0.01 0.14 0.43 0.00 -0.01 0.00 0.00 175.02 175.58 1rdp s ALA 102 N 0.38 -1.05 0.00 3.03 0.00 -1.23 -4.88 121.76 118.01 1rdp s ALA 102 Ca -0.12 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1rdp s ALA 102 Cb -0.15 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1rdp s ALA 102 CO 0.05 -0.51 0.00 0.09 0.00 0.00 0.00 175.76 175.39