#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwn h ASP 2 N 0.00 0.56 -5.37 0.00 3.32 -2.15 -3.47 116.42 109.31 3jwn h ASP 2 Ca 0.00 0.05 0.26 0.00 0.02 0.00 0.00 57.03 57.36 3jwn h ASP 2 Cb 0.00 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 39.38 3jwn h ASP 2 CO 0.00 0.33 0.69 -0.44 -1.72 0.00 0.00 179.24 178.10 3jwn s SER 3 N -5.56 -0.13 -0.01 6.45 0.01 -1.26 -5.18 113.70 108.03 3jwn s SER 3 Ca -0.13 -0.20 0.06 0.00 1.31 0.00 0.00 55.95 57.00 3jwn s SER 3 Cb 0.18 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 3jwn s SER 3 CO 0.77 -0.51 -0.19 -0.89 0.41 0.00 0.00 173.24 172.83 3jwn s THR 4 N -2.75 2.67 -0.18 1.44 2.01 -1.26 -5.12 115.64 112.44 3jwn s THR 4 Ca 0.12 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.13 3jwn s THR 4 Cb 0.02 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.50 3jwn s THR 4 CO -0.02 0.50 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.61 3jwn s ILE 5 N -0.76 2.35 -0.11 1.82 1.01 -1.26 -5.12 121.20 119.13 3jwn s ILE 5 Ca 0.12 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 3jwn s ILE 5 Cb -0.10 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 3jwn s ILE 5 CO 0.02 0.52 0.30 -0.89 0.00 0.00 0.00 174.94 174.88 3jwn s THR 6 N 1.28 5.27 -0.11 2.92 2.01 -1.26 -5.09 115.64 120.65 3jwn s THR 6 Ca 0.04 0.58 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 3jwn s THR 6 Cb -0.13 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3jwn s THR 6 CO -0.10 0.47 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.63 3jwn s ILE 7 N -0.18 3.83 0.10 1.82 -1.09 -1.26 -5.12 121.20 119.32 3jwn s ILE 7 Ca 0.18 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.25 3jwn s ILE 7 Cb -0.14 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 3jwn s ILE 7 CO 0.06 0.55 -0.12 -0.13 -1.23 0.00 0.00 174.94 174.07 3jwn s ARG 8 N -0.22 0.92 0.00 2.79 0.52 -1.26 -5.15 118.95 116.55 3jwn s ARG 8 Ca 0.04 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 3jwn s ARG 8 Cb -0.13 -0.73 0.00 0.00 0.52 0.00 0.00 34.95 34.61 3jwn s ARG 8 CO 0.02 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.89 3jwn n GLY 9 N 0.64 -1.90 3.08 -3.53 0.00 -1.26 -5.16 105.19 97.06 3jwn n GLY 9 Ca -0.16 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 3jwn n GLY 9 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jwn s TYR 10 N -2.62 0.35 0.00 1.61 2.02 -1.26 -5.10 117.35 112.35 3jwn s TYR 10 Ca 0.00 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 3jwn s TYR 10 Cb 0.00 -0.26 0.00 0.00 -0.40 0.00 0.00 41.96 41.30 3jwn s TYR 10 CO 0.00 -0.34 0.00 0.28 -1.57 0.00 0.00 175.55 173.92 3jwn n VAL 11 N 0.64 0.00 -0.84 0.71 0.31 -1.26 -5.12 118.33 112.76 3jwn n VAL 11 Ca -0.18 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 3jwn n VAL 11 Cb 0.59 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 3jwn n VAL 11 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3jwn n ARG 12 N -1.99 -2.38 -2.90 5.55 1.74 -1.26 -4.94 116.66 110.48 3jwn n ARG 12 Ca 0.00 1.74 -0.40 0.00 -0.77 0.00 0.00 57.85 58.42 3jwn n ARG 12 Cb 0.00 -1.94 -0.04 0.00 -1.02 0.00 0.00 32.46 29.46 3jwn n ARG 12 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jwn s ASP 13 N -2.05 7.24 0.79 0.55 -1.08 -1.26 -5.04 116.67 115.82 3jwn s ASP 13 Ca 0.00 1.49 -0.12 0.00 -0.52 0.00 0.00 52.55 53.40 3jwn s ASP 13 Cb 0.00 -2.50 0.07 0.00 -1.46 0.00 0.00 42.92 39.03 3jwn s ASP 13 CO 0.00 -0.08 1.17 0.20 0.52 0.00 0.00 175.17 176.98 3jwn s ASN 14 N 0.34 4.64 0.00 -0.34 -0.87 -1.26 -4.99 114.94 112.46 3jwn s ASN 14 Ca 0.42 0.84 0.00 0.00 -1.57 0.00 0.00 52.86 52.55 3jwn s ASN 14 Cb -0.20 -1.38 0.00 0.00 -0.02 0.00 0.00 41.25 39.65 3jwn s ASN 14 CO 0.24 -1.83 0.00 0.61 -2.57 0.00 0.00 177.10 173.55 3jwn n GLY 15 N -3.26 1.03 3.27 0.66 0.00 -1.26 -3.58 105.19 102.06 3jwn n GLY 15 Ca 0.08 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.32 3jwn n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s SER 17 N -0.83 7.11 -0.22 0.00 0.15 -0.42 -4.94 113.70 114.55 3jwn s SER 17 Ca 0.09 1.39 -0.08 0.00 0.70 0.00 0.00 55.95 58.05 3jwn s SER 17 Cb -0.09 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3jwn s SER 17 CO 0.00 -0.64 0.09 -0.69 1.20 0.00 0.00 173.24 173.20 3jwn s VAL 18 N 3.05 4.74 -0.31 4.45 1.01 -1.26 -1.50 120.40 130.58 3jwn s VAL 18 Ca 0.44 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.42 3jwn s VAL 18 Cb -0.15 -3.18 0.09 0.00 0.00 0.00 0.00 36.38 33.13 3jwn s VAL 18 CO 0.07 0.39 -0.00 0.00 0.00 0.00 0.00 175.10 175.56 3jwn s ALA 19 N 0.98 2.79 -0.21 5.51 0.00 -0.32 -4.98 121.76 125.53 3jwn s ALA 19 Ca 0.05 -2.27 -0.17 0.00 0.00 0.00 0.00 51.96 49.57 3jwn s ALA 19 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3jwn s ALA 19 CO 0.03 -1.52 0.45 0.00 0.00 0.00 0.00 175.76 174.72 3jwn s ALA 20 N 0.98 3.55 0.01 0.00 0.00 -1.26 -1.18 121.76 123.86 3jwn s ALA 20 Ca 0.04 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 3jwn s ALA 20 Cb -0.19 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3jwn s ALA 20 CO -0.07 -0.38 0.94 -2.00 0.00 0.00 0.00 175.76 174.25 3jwn s GLU 21 N 1.50 4.57 0.26 0.00 2.12 -0.73 -5.04 118.70 121.37 3jwn s GLU 21 Ca 0.21 1.35 -0.28 0.00 0.36 0.00 0.00 54.97 56.61 3jwn s GLU 21 Cb -0.15 -3.44 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 3jwn s GLU 21 CO 0.09 0.02 0.91 -1.54 -0.54 0.00 0.00 175.26 174.20 3jwn s SER 22 N 0.78 7.50 0.11 -1.70 1.04 -1.26 -4.71 113.70 115.45 3jwn s SER 22 Ca 0.49 1.86 -0.06 0.00 0.48 0.00 0.00 55.95 58.72 3jwn s SER 22 Cb -0.21 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.28 3jwn s SER 22 CO 0.27 0.09 0.36 -0.89 0.98 0.00 0.00 173.24 174.05 3jwn s THR 23 N -1.32 5.18 -0.09 2.02 2.01 -1.26 -5.05 115.64 117.12 3jwn s THR 23 Ca 0.43 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.58 3jwn s THR 23 Cb -0.23 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.68 3jwn s THR 23 CO 0.28 0.14 -0.13 0.21 -0.69 0.00 0.00 174.62 174.44 3jwn s ASN 24 N -2.18 2.17 -0.10 3.53 3.84 -1.26 -5.11 114.94 115.83 3jwn s ASN 24 Ca 0.37 -0.36 -0.06 0.00 0.21 0.00 0.00 52.86 53.02 3jwn s ASN 24 Cb -0.13 -0.96 -0.04 0.00 -0.55 0.00 0.00 41.25 39.57 3jwn s ASN 24 CO 0.22 0.00 0.14 -0.36 -2.79 0.00 0.00 177.10 174.31 3jwn s PHE 25 N 0.99 3.57 -0.13 0.43 0.40 -1.26 -5.03 117.98 116.95 3jwn s PHE 25 Ca -0.08 0.48 -0.10 0.00 -0.60 0.00 0.00 56.93 56.63 3jwn s PHE 25 Cb -0.15 -1.91 -0.06 0.00 0.51 0.00 0.00 43.02 41.41 3jwn s PHE 25 CO -0.01 0.71 -0.23 -2.37 0.70 0.00 0.00 175.22 174.03 3jwn n THR 26 N 1.78 1.19 0.00 0.64 5.66 -1.26 -4.97 114.28 117.32 3jwn n THR 26 Ca -0.18 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 3jwn n THR 26 Cb 0.54 -1.91 0.00 0.00 -1.55 0.00 0.00 70.33 67.41 3jwn n THR 26 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3jwn n VAL 27 N -3.95 0.00 -3.08 1.08 3.14 -1.26 -4.76 118.33 109.49 3jwn n VAL 27 Ca -0.22 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.04 3jwn n VAL 27 Cb 0.54 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.37 3jwn n VAL 27 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3jwn n ASP 28 N 0.00 -6.35 -3.43 6.55 2.03 -1.26 -3.69 116.55 110.40 3jwn n ASP 28 Ca 0.00 -0.59 -0.16 0.00 0.52 0.00 0.00 54.79 54.56 3jwn n ASP 28 Cb 0.00 -4.82 -0.05 0.00 -0.72 0.00 0.00 41.12 35.53 3jwn n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3jwn n LEU 29 N -2.95 -0.49 -0.06 -2.67 -0.00 -1.26 -4.80 117.00 104.76 3jwn n LEU 29 Ca -0.06 -0.66 -0.07 0.00 -0.00 0.00 0.00 56.01 55.22 3jwn n LEU 29 Cb 0.60 -0.82 -0.02 0.00 -0.00 0.00 0.00 43.42 43.17 3jwn n LEU 29 CO 0.53 0.24 -0.53 0.80 -0.00 0.00 0.00 177.39 178.43 3jwn n MET 30 N -2.84 0.41 0.24 1.47 1.56 -1.24 -3.30 117.12 113.42 3jwn n MET 30 Ca -0.16 0.16 0.13 0.00 -0.27 0.00 0.00 57.70 57.56 3jwn n MET 30 Cb 0.36 -1.22 0.49 0.00 2.15 0.00 0.00 33.22 35.00 3jwn n MET 30 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 3jwn h GLU 31 N -0.77 0.00 0.06 2.12 4.39 -1.87 -2.96 114.58 115.55 3jwn h GLU 31 Ca 0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 3jwn h GLU 31 Cb 0.77 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 3jwn h GLU 31 CO 0.00 0.10 -1.36 -0.91 -1.16 0.00 0.00 179.01 175.67 3jwn h ASN 32 N 0.00 0.21 -0.54 1.42 -0.26 -1.94 -2.12 115.58 112.35 3jwn h ASN 32 Ca -0.00 -0.28 -0.11 0.00 -0.56 0.00 0.00 56.30 55.35 3jwn h ASN 32 Cb 0.71 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.89 3jwn h ASN 32 CO 0.01 1.23 -0.10 0.00 -1.06 0.00 0.00 177.43 177.51 3jwn h ALA 33 N 0.74 0.78 -1.05 -0.83 0.00 -1.58 -3.08 119.26 114.24 3jwn h ALA 33 Ca -0.17 -0.35 -0.72 0.00 0.00 0.00 0.00 54.91 53.67 3jwn h ALA 33 Cb 1.94 -0.20 -0.30 0.00 0.00 0.00 0.00 17.79 19.23 3jwn h ALA 33 CO 0.14 0.67 0.78 0.00 0.00 0.00 0.00 179.25 180.84 3jwn n ALA 34 N -2.50 6.29 -1.86 0.00 0.00 -1.12 -4.97 120.51 116.35 3jwn n ALA 34 Ca 0.02 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.46 3jwn n ALA 34 Cb 0.40 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3jwn n ALA 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3jwn n LYS 35 N -0.62 3.67 -3.26 0.00 3.00 -0.80 -4.74 118.16 115.41 3jwn n LYS 35 Ca 0.54 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.62 3jwn n LYS 35 Cb 0.39 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.44 3jwn n LYS 35 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3jwn n GLN 36 N 0.00 -4.39 -0.24 1.64 7.27 -1.26 -4.86 117.38 115.54 3jwn n GLN 36 Ca 0.00 0.69 -0.04 0.00 0.07 0.00 0.00 57.00 57.72 3jwn n GLN 36 Cb 0.00 -5.49 0.07 0.00 2.41 0.00 0.00 30.24 27.23 3jwn n GLN 36 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3jwn h PHE 37 N -1.30 0.81 -2.31 3.69 3.57 -1.93 -3.47 116.94 116.00 3jwn h PHE 37 Ca -0.49 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.14 3jwn h PHE 37 Cb 1.33 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 3jwn h PHE 37 CO 0.60 0.47 0.42 -1.71 -2.23 0.00 0.00 178.31 175.86 3jwn n ASN 38 N -4.66 -1.28 0.20 0.41 2.85 -1.26 -4.94 115.26 106.58 3jwn n ASN 38 Ca 0.07 -1.68 0.04 0.00 -0.11 0.00 0.00 54.58 52.90 3jwn n ASN 38 Cb 0.07 2.08 0.43 0.00 1.24 0.00 0.00 39.78 43.60 3jwn n ASN 38 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3jwn h ASN 39 N 1.43 0.00 -0.71 1.20 7.08 -1.87 -2.56 115.58 120.15 3jwn h ASN 39 Ca -0.20 0.00 -0.72 0.00 -3.08 0.00 0.00 56.30 52.30 3jwn h ASN 39 Cb 0.87 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 37.04 3jwn h ASN 39 CO 0.27 0.29 2.83 0.00 -2.08 0.00 0.00 177.43 178.74 3jwn n ILE 40 N -4.16 4.50 -1.59 6.14 3.06 -1.26 -3.80 119.36 122.25 3jwn n ILE 40 Ca -0.02 -3.66 -0.37 0.00 -2.50 0.00 0.00 62.75 56.19 3jwn n ILE 40 Cb 0.34 -2.37 -0.03 0.00 0.54 0.00 0.00 39.64 38.12 3jwn n ILE 40 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3jwn n GLY 41 N 2.86 4.59 2.50 4.50 0.00 -0.97 -4.87 105.19 113.80 3jwn n GLY 41 Ca 0.60 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 3jwn n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn n ALA 42 N 2.63 6.11 -3.18 4.61 0.00 -1.26 -3.49 120.51 125.92 3jwn n ALA 42 Ca 0.69 -2.93 -0.13 0.00 0.00 0.00 0.00 53.44 51.07 3jwn n ALA 42 Cb 0.29 -3.25 -0.06 0.00 0.00 0.00 0.00 19.45 16.43 3jwn n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3jwn s THR 43 N 2.86 0.05 0.00 0.00 2.01 -1.26 -5.09 115.64 114.22 3jwn s THR 43 Ca 0.56 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.14 3jwn s THR 43 Cb 0.14 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.68 3jwn s THR 43 CO -0.04 -0.23 0.00 0.41 -0.69 0.00 0.00 174.62 174.07 3jwn n THR 44 N 0.41 0.00 -1.60 -0.82 -1.04 -1.26 -4.68 114.28 105.29 3jwn n THR 44 Ca -0.18 0.00 -0.54 0.00 -2.04 0.00 0.00 64.05 61.29 3jwn n THR 44 Cb 0.60 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.04 3jwn n THR 44 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3jwn n PRO 45 N -0.62 1.29 -1.80 -2.82 -0.04 -1.26 -4.87 135.00 124.88 3jwn n PRO 45 Ca 0.00 0.44 -0.41 0.00 -0.04 0.00 0.00 63.50 63.48 3jwn n PRO 45 Cb 0.00 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.13 3jwn n PRO 45 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3jwn s VAL 46 N 5.02 2.12 -0.20 0.52 -7.23 -1.26 -4.85 120.40 114.51 3jwn s VAL 46 Ca 1.02 0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 61.24 3jwn s VAL 46 Cb -0.94 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 32.91 3jwn s VAL 46 CO 0.58 0.02 0.00 -0.69 -0.31 0.00 0.00 175.10 174.70 3jwn s VAL 47 N 0.00 3.97 0.53 1.32 1.01 -0.30 -4.96 120.40 121.97 3jwn s VAL 47 Ca 0.63 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 3jwn s VAL 47 Cb -0.47 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 3jwn s VAL 47 CO 0.47 0.42 0.98 -2.16 0.00 0.00 0.00 175.10 174.82 3jwn s PRO 48 N 1.06 3.88 -0.09 2.72 0.04 -1.26 -0.78 135.00 140.56 3jwn s PRO 48 Ca 0.02 0.89 -0.14 0.00 0.04 0.00 0.00 61.00 61.81 3jwn s PRO 48 Cb -0.14 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.29 3jwn s PRO 48 CO 0.02 -0.31 0.36 -0.59 0.04 0.00 0.00 177.00 176.52 3jwn s PHE 49 N -2.71 -0.34 0.23 0.56 -0.12 -0.02 -4.89 117.98 110.70 3jwn s PHE 49 Ca 0.58 0.74 0.08 0.00 -0.05 0.00 0.00 56.93 58.28 3jwn s PHE 49 Cb -0.10 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 3jwn s PHE 49 CO 0.35 -0.28 0.08 -0.98 -0.05 0.00 0.00 175.22 174.34 3jwn s ARG 50 N -0.39 2.60 -0.18 1.99 1.70 -1.26 -1.36 118.95 122.05 3jwn s ARG 50 Ca -0.05 -1.15 0.01 0.00 -0.47 0.00 0.00 55.73 54.06 3jwn s ARG 50 Cb -0.03 -2.40 0.04 0.00 -0.57 0.00 0.00 34.95 31.98 3jwn s ARG 50 CO 0.02 0.41 -0.11 0.42 -1.08 0.00 0.00 175.30 174.96 3jwn s ILE 51 N -2.05 1.60 -0.26 4.99 1.01 -0.36 -1.78 121.20 124.35 3jwn s ILE 51 Ca 0.31 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 3jwn s ILE 51 Cb -0.08 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3jwn s ILE 51 CO 0.22 0.26 0.38 -0.22 0.00 0.00 0.00 174.94 175.58 3jwn s LEU 52 N 1.43 4.05 -0.99 2.97 2.96 -0.32 -1.52 118.68 127.27 3jwn s LEU 52 Ca 0.01 0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.13 3jwn s LEU 52 Cb -0.15 -2.45 0.24 0.00 0.50 0.00 0.00 46.19 44.34 3jwn s LEU 52 CO -0.09 -0.17 0.97 -0.76 -1.32 0.00 0.00 176.35 174.98 3jwn s LEU 53 N 1.99 6.44 -0.28 -0.68 1.02 -0.37 -1.18 118.68 125.63 3jwn s LEU 53 Ca 0.16 -3.13 -0.20 0.00 0.02 0.00 0.00 54.13 50.98 3jwn s LEU 53 Cb -0.16 -2.22 0.09 0.00 0.02 0.00 0.00 46.19 43.92 3jwn s LEU 53 CO 0.10 -0.45 0.79 -0.55 0.02 0.00 0.00 176.35 176.25 3jwn s SER 54 N 1.82 -0.76 0.81 2.29 0.15 -0.56 -2.62 113.70 114.83 3jwn s SER 54 Ca 0.26 1.30 -0.12 0.00 0.70 0.00 0.00 55.95 58.09 3jwn s SER 54 Cb -0.10 1.32 0.08 0.00 -1.71 0.00 0.00 66.02 65.61 3jwn s SER 54 CO -0.08 -0.21 1.14 -2.16 1.20 0.00 0.00 173.24 173.13 3jwn s PRO 55 N 1.07 1.96 0.05 5.44 0.04 -1.26 -4.50 135.00 137.80 3jwn s PRO 55 Ca -0.05 0.28 0.02 0.00 0.04 0.00 0.00 61.00 61.28 3jwn s PRO 55 Cb -0.05 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 3jwn s PRO 55 CO -0.12 -1.63 -0.07 0.00 0.04 0.00 0.00 177.00 175.23 3jwn s GLY 57 N -1.86 2.20 0.38 0.00 0.00 -0.66 -4.70 107.32 102.68 3jwn s GLY 57 Ca -0.07 0.79 0.28 0.00 0.00 0.00 0.00 44.72 45.73 3jwn s GLY 57 CO -0.01 1.20 1.83 3.43 0.00 0.00 0.00 173.10 179.55 3jwn h ASN 58 N -0.60 0.00 1.06 1.64 2.35 -1.93 -3.18 115.58 114.92 3jwn h ASN 58 Ca -0.47 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.09 3jwn h ASN 58 Cb 1.29 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 3jwn h ASN 58 CO 0.48 0.00 -0.91 0.00 -1.65 0.00 0.00 177.43 175.35 3jwn h ALA 59 N 2.15 0.42 -1.84 -0.83 0.00 -1.91 -3.39 119.26 113.86 3jwn h ALA 59 Ca 0.00 -0.83 -0.56 0.00 0.00 0.00 0.00 54.91 53.52 3jwn h ALA 59 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3jwn h ALA 59 CO 0.00 1.14 1.35 0.14 0.00 0.00 0.00 179.25 181.88 3jwn s VAL 60 N -2.78 3.34 -0.49 0.00 -7.23 -1.20 -4.80 120.40 107.23 3jwn s VAL 60 Ca 0.01 0.33 0.08 0.00 -1.81 0.00 0.00 61.98 60.59 3jwn s VAL 60 Cb 0.10 -3.50 -0.07 0.00 0.56 0.00 0.00 36.38 33.47 3jwn s VAL 60 CO 0.81 -0.35 0.41 -1.54 -0.31 0.00 0.00 175.10 174.11 3jwn n SER 61 N 11.17 0.58 -3.56 4.85 3.41 -1.26 -4.07 113.62 124.74 3jwn n SER 61 Ca 0.25 -0.79 -0.17 0.00 -0.26 0.00 0.00 58.87 57.90 3jwn n SER 61 Cb 0.47 0.86 -0.06 0.00 -0.26 0.00 0.00 64.21 65.22 3jwn n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jwn s ALA 62 N -1.64 -1.70 -0.04 7.33 0.00 -1.26 -1.03 121.76 123.43 3jwn s ALA 62 Ca 0.04 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 3jwn s ALA 62 Cb 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.97 3jwn s ALA 62 CO 0.31 -0.35 0.25 0.14 0.00 0.00 0.00 175.76 176.10 3jwn s VAL 63 N -0.87 0.05 -0.37 0.00 -7.23 -0.17 -3.89 120.40 107.91 3jwn s VAL 63 Ca -0.09 -0.39 -0.17 0.00 -1.81 0.00 0.00 61.98 59.52 3jwn s VAL 63 Cb -0.01 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 36.44 3jwn s VAL 63 CO 0.08 -0.21 0.47 -0.54 -0.31 0.00 0.00 175.10 174.59 3jwn s LYS 64 N -0.89 3.45 0.03 4.82 1.02 -0.42 -0.42 119.74 127.33 3jwn s LYS 64 Ca -0.10 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.52 3jwn s LYS 64 Cb -0.05 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 3jwn s LYS 64 CO 0.02 -0.70 0.09 0.14 -0.92 0.00 0.00 175.35 173.98 3jwn s VAL 65 N 2.29 4.69 -0.09 3.17 -7.23 -1.26 -1.19 120.40 120.78 3jwn s VAL 65 Ca 0.16 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 3jwn s VAL 65 Cb -0.16 -3.19 0.10 0.00 0.56 0.00 0.00 36.38 33.69 3jwn s VAL 65 CO 0.14 0.26 0.83 -0.83 -0.31 0.00 0.00 175.10 175.18 3jwn s GLY 66 N -2.01 -0.44 -0.04 2.32 0.00 -0.95 -4.75 107.32 101.45 3jwn s GLY 66 Ca 0.26 1.58 0.01 0.00 0.00 0.00 0.00 44.72 46.57 3jwn s GLY 66 CO 0.17 0.92 -0.05 -1.36 0.00 0.00 0.00 173.10 172.79 3jwn s PHE 67 N -1.37 2.98 0.02 1.90 0.08 -1.26 -0.18 117.98 120.15 3jwn s PHE 67 Ca -0.06 0.04 -0.03 0.00 0.12 0.00 0.00 56.93 57.00 3jwn s PHE 67 Cb -0.00 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 3jwn s PHE 67 CO 0.04 0.38 0.04 0.95 -0.10 0.00 0.00 175.22 176.54 3jwn s THR 68 N -0.92 0.11 0.00 0.64 -4.23 0.09 -1.68 115.64 109.65 3jwn s THR 68 Ca 0.15 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3jwn s THR 68 Cb -0.11 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.26 3jwn s THR 68 CO 0.05 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 3jwn n GLY 69 N 1.36 -0.17 3.64 3.99 0.00 -1.26 0.07 105.19 112.80 3jwn n GLY 69 Ca -0.22 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 3jwn n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jwn s VAL 70 N -2.00 3.60 0.77 1.61 1.01 -1.26 -4.82 120.40 119.31 3jwn s VAL 70 Ca 0.00 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 3jwn s VAL 70 Cb 0.00 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.85 3jwn s VAL 70 CO 0.00 -0.21 1.09 0.00 0.00 0.00 0.00 175.10 175.98 3jwn s ALA 71 N 5.12 2.36 0.30 5.51 0.00 -1.26 -1.27 121.76 132.52 3jwn s ALA 71 Ca 0.74 -0.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.30 3jwn s ALA 71 Cb -0.28 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3jwn s ALA 71 CO 0.30 -1.60 0.97 0.34 0.00 0.00 0.00 175.76 175.77 3jwn s ASP 72 N -3.88 7.36 0.12 0.00 2.15 -0.86 -4.19 116.67 117.37 3jwn s ASP 72 Ca 0.60 1.95 -0.15 0.00 0.43 0.00 0.00 52.55 55.38 3jwn s ASP 72 Cb -0.14 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.85 3jwn s ASP 72 CO 0.54 -0.06 1.55 0.77 -0.17 0.00 0.00 175.17 177.81 3jwn h SER 73 N 3.46 0.70 1.74 -0.34 4.64 -1.96 -3.18 113.55 118.61 3jwn h SER 73 Ca -0.46 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 3jwn h SER 73 Cb 1.20 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3jwn h SER 73 CO 0.66 0.85 0.00 0.45 -0.87 0.00 0.00 176.83 177.92 3jwn h HIS 74 N 0.52 0.00 -2.44 4.77 3.86 -1.99 -3.43 115.15 116.44 3jwn h HIS 74 Ca 0.11 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.15 3jwn h HIS 74 Cb 0.51 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 28.68 3jwn h HIS 74 CO 0.04 0.00 -0.46 1.21 0.86 0.00 0.00 177.93 179.58 3jwn s ASN 75 N -5.48 0.18 0.45 2.45 3.84 -1.20 -5.05 114.94 110.13 3jwn s ASN 75 Ca 0.08 0.58 0.22 0.00 0.21 0.00 0.00 52.86 53.95 3jwn s ASN 75 Cb 0.08 1.03 1.06 0.00 -0.55 0.00 0.00 41.25 42.87 3jwn s ASN 75 CO 0.63 -0.26 1.92 0.00 -2.79 0.00 0.00 177.10 176.60 3jwn h ALA 76 N 8.22 1.22 0.21 1.71 0.00 -1.84 -3.20 119.26 125.59 3jwn h ALA 76 Ca -0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3jwn h ALA 76 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3jwn h ALA 76 CO 0.18 0.29 -0.10 -0.91 0.00 0.00 0.00 179.25 178.71 3jwn h ASN 77 N 0.00 -0.24 -2.56 0.00 2.35 -1.95 -3.42 115.58 109.76 3jwn h ASN 77 Ca -0.00 -0.12 -0.44 0.00 -0.55 0.00 0.00 56.30 55.18 3jwn h ASN 77 Cb 0.57 0.06 0.05 0.00 0.05 0.00 0.00 38.32 39.05 3jwn h ASN 77 CO 0.03 -0.01 -0.01 -1.48 -1.65 0.00 0.00 177.43 174.30 3jwn s LEU 78 N -9.82 3.23 -0.03 1.61 2.34 -1.24 -4.29 118.68 110.49 3jwn s LEU 78 Ca -0.15 -0.01 -0.16 0.00 0.06 0.00 0.00 54.13 53.87 3jwn s LEU 78 Cb 0.04 -2.83 -0.05 0.00 -0.56 0.00 0.00 46.19 42.78 3jwn s LEU 78 CO 0.62 -1.21 0.44 -0.22 -1.06 0.00 0.00 176.35 174.92 3jwn s LEU 79 N -4.81 4.42 0.46 1.48 2.96 0.11 -2.03 118.68 121.27 3jwn s LEU 79 Ca 0.58 0.95 -0.20 0.00 -0.22 0.00 0.00 54.13 55.24 3jwn s LEU 79 Cb -0.10 -2.64 -0.10 0.00 0.50 0.00 0.00 46.19 43.85 3jwn s LEU 79 CO 0.39 0.23 0.97 0.00 -1.32 0.00 0.00 176.35 176.63 3jwn s ALA 80 N -0.60 3.01 0.52 5.97 0.00 -0.40 -0.68 121.76 129.58 3jwn s ALA 80 Ca 0.25 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.60 3jwn s ALA 80 Cb -0.16 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3jwn s ALA 80 CO 0.13 -0.05 0.74 -0.51 0.00 0.00 0.00 175.76 176.07 3jwn s LEU 81 N -3.45 3.40 -0.01 0.00 1.43 -1.26 -4.73 118.68 114.06 3jwn s LEU 81 Ca 0.62 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 3jwn s LEU 81 Cb -0.11 -2.97 -0.07 0.00 0.03 0.00 0.00 46.19 43.07 3jwn s LEU 81 CO 0.19 -0.99 1.73 -1.61 0.23 0.00 0.00 176.35 175.90 3jwn s GLU 82 N -4.69 4.18 -0.89 1.70 2.02 -0.49 -4.94 118.70 115.59 3jwn s GLU 82 Ca 0.54 2.32 -0.20 0.00 0.02 0.00 0.00 54.97 57.65 3jwn s GLU 82 Cb -0.10 -3.95 0.11 0.00 0.10 0.00 0.00 34.13 30.29 3jwn s GLU 82 CO 0.38 -0.85 1.13 1.21 0.02 0.00 0.00 175.26 177.15 3jwn s ASN 83 N 3.42 6.53 0.34 -0.19 3.84 -1.26 -4.68 114.94 122.94 3jwn s ASN 83 Ca 0.77 -1.79 0.04 0.00 0.21 0.00 0.00 52.86 52.09 3jwn s ASN 83 Cb -0.37 -2.42 -0.03 0.00 -0.55 0.00 0.00 41.25 37.88 3jwn s ASN 83 CO 0.33 -1.18 0.17 0.42 -2.79 0.00 0.00 177.10 174.05 3jwn s THR 84 N 3.17 0.36 0.25 -5.21 -4.23 -1.26 -5.05 115.64 103.67 3jwn s THR 84 Ca 0.32 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3jwn s THR 84 Cb -0.07 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.46 3jwn s THR 84 CO -0.06 0.00 1.79 1.62 -0.54 0.00 0.00 174.62 177.43 3jwn h VAL 85 N 2.06 1.24 -0.00 2.29 3.04 -2.00 -3.18 116.25 119.70 3jwn h VAL 85 Ca -0.32 -0.85 -0.24 0.00 -1.01 0.00 0.00 66.70 64.27 3jwn h VAL 85 Cb 1.25 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 31.11 3jwn h VAL 85 CO 0.51 0.33 -0.98 0.28 -1.01 0.00 0.00 177.57 176.69 3jwn h SER 86 N 0.94 0.69 -4.14 3.17 0.02 -1.97 -3.47 113.55 108.79 3jwn h SER 86 Ca 0.21 -0.55 -0.52 0.00 -0.84 0.00 0.00 61.79 60.09 3jwn h SER 86 Cb 0.29 -0.21 0.12 0.00 0.14 0.00 0.00 62.40 62.75 3jwn h SER 86 CO -0.01 1.35 0.42 0.00 -1.14 0.00 0.00 176.83 177.46 3jwn s ALA 87 N -3.30 2.41 1.08 3.77 0.00 -1.20 -1.94 121.76 122.58 3jwn s ALA 87 Ca -0.07 0.86 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 3jwn s ALA 87 Cb 0.08 -3.42 0.24 0.00 0.00 0.00 0.00 23.12 20.02 3jwn s ALA 87 CO 0.89 -1.37 1.23 0.00 0.00 0.00 0.00 175.76 176.51 3jwn s ALA 88 N -1.88 1.48 0.05 0.00 0.00 -0.18 -4.59 121.76 116.65 3jwn s ALA 88 Ca 0.74 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 3jwn s ALA 88 Cb -0.27 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3jwn s ALA 88 CO 0.38 -2.98 -0.01 0.00 0.00 0.00 0.00 175.76 173.14 3jwn s ALA 89 N -3.49 0.47 0.00 0.00 0.00 -1.22 -4.88 121.76 112.63 3jwn s ALA 89 Ca 0.73 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3jwn s ALA 89 Cb -0.06 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.35 3jwn s ALA 89 CO 0.54 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.33 3jwn n GLY 90 N 0.10 0.77 3.01 0.00 0.00 -1.26 -2.68 105.19 105.12 3jwn n GLY 90 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3jwn n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwn s LEU 91 N 0.00 1.72 0.22 0.99 1.43 -1.26 0.96 118.68 122.74 3jwn s LEU 91 Ca 0.00 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 3jwn s LEU 91 Cb 0.00 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 3jwn s LEU 91 CO 0.00 0.06 -0.14 -0.83 0.23 0.00 0.00 176.35 175.67 3jwn s GLY 92 N 0.36 1.53 -0.29 -3.19 0.00 -0.74 -4.60 107.32 100.39 3jwn s GLY 92 Ca -0.07 -1.72 -0.15 0.00 0.00 0.00 0.00 44.72 42.78 3jwn s GLY 92 CO 0.01 -1.79 0.38 -0.42 0.00 0.00 0.00 173.10 171.29 3jwn s ILE 93 N -2.94 5.16 -0.06 0.90 1.01 0.14 -0.76 121.20 124.65 3jwn s ILE 93 Ca 0.24 0.44 -0.13 0.00 0.00 0.00 0.00 60.65 61.20 3jwn s ILE 93 Cb -0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3jwn s ILE 93 CO 0.08 0.07 0.33 -1.58 0.00 0.00 0.00 174.94 173.84 3jwn s GLN 94 N 2.09 3.90 -0.18 2.79 0.74 0.12 0.04 119.66 129.15 3jwn s GLN 94 Ca 0.15 0.23 -0.05 0.00 0.05 0.00 0.00 55.36 55.74 3jwn s GLN 94 Cb -0.16 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 30.66 3jwn s GLN 94 CO 0.11 0.60 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.92 3jwn s LEU 95 N -0.68 3.30 0.12 3.68 1.43 -1.26 -1.47 118.68 123.79 3jwn s LEU 95 Ca 0.20 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 3jwn s LEU 95 Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 3jwn s LEU 95 CO 0.09 0.12 -0.10 -0.76 0.23 0.00 0.00 176.35 175.93 3jwn s LEU 96 N 0.67 3.03 0.00 1.79 2.01 0.96 -0.68 118.68 126.47 3jwn s LEU 96 Ca -0.01 -0.42 -0.02 0.00 0.01 0.00 0.00 54.13 53.70 3jwn s LEU 96 Cb -0.14 -1.81 0.03 0.00 0.01 0.00 0.00 46.19 44.28 3jwn s LEU 96 CO 0.02 0.16 0.18 -0.46 1.01 0.00 0.00 176.35 177.27 3jwn n ASN 97 N 0.57 0.08 0.27 2.29 6.94 0.02 -1.36 115.26 124.08 3jwn n ASN 97 Ca -0.13 -1.10 0.14 0.00 -0.02 0.00 0.00 54.58 53.47 3jwn n ASN 97 Cb 0.53 -0.13 0.79 0.00 -2.36 0.00 0.00 39.78 38.60 3jwn n ASN 97 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3jwn h GLU 98 N 0.00 0.00 -0.54 -3.83 4.81 -1.89 -1.77 114.58 111.36 3jwn h GLU 98 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3jwn h GLU 98 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3jwn h GLU 98 CO 0.05 0.09 0.00 1.04 -0.73 0.00 0.00 179.01 179.46 3jwn n GLN 99 N -3.60 2.40 -1.50 1.92 3.00 -1.26 -4.92 117.38 113.42 3jwn n GLN 99 Ca -0.02 -1.84 -0.17 0.00 -0.01 0.00 0.00 57.00 54.97 3jwn n GLN 99 Cb 0.21 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.88 3jwn n GLN 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3jwn n GLN 100 N 0.86 -1.16 -3.21 -1.09 6.02 -0.67 -5.01 117.38 113.11 3jwn n GLN 100 Ca 0.17 1.08 -0.34 0.00 -0.01 0.00 0.00 57.00 57.90 3jwn n GLN 100 Cb 0.50 -5.29 -0.06 0.00 1.02 0.00 0.00 30.24 26.41 3jwn n GLN 100 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3jwn s ASN 101 N -2.81 6.86 0.17 1.08 0.01 -1.26 -4.81 114.94 114.18 3jwn s ASN 101 Ca 0.00 1.23 -0.31 0.00 -0.71 0.00 0.00 52.86 53.07 3jwn s ASN 101 Cb 0.00 -2.35 -0.09 0.00 0.41 0.00 0.00 41.25 39.22 3jwn s ASN 101 CO 0.00 -0.04 1.47 -1.58 -1.51 0.00 0.00 177.10 175.44 3jwn s GLN 102 N -2.38 4.27 -0.08 -0.60 0.74 -1.26 -0.80 119.66 119.55 3jwn s GLN 102 Ca 0.46 2.24 -0.27 0.00 0.05 0.00 0.00 55.36 57.84 3jwn s GLN 102 Cb -0.14 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 3jwn s GLN 102 CO 0.19 -0.49 0.88 0.42 -0.55 0.00 0.00 175.29 175.74 3jwn s ILE 103 N 0.83 4.90 -0.45 -2.34 1.01 0.14 -4.84 121.20 120.45 3jwn s ILE 103 Ca 0.65 1.79 -0.28 0.00 0.00 0.00 0.00 60.65 62.82 3jwn s ILE 103 Cb -0.41 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 3jwn s ILE 103 CO 0.34 0.12 1.68 -2.16 0.00 0.00 0.00 174.94 174.91 3jwn s PRO 104 N 1.45 3.20 0.22 2.79 0.04 -1.26 -4.79 135.00 136.65 3jwn s PRO 104 Ca 0.44 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 3jwn s PRO 104 Cb -0.18 -4.20 -0.09 0.00 0.04 0.00 0.00 34.50 30.06 3jwn s PRO 104 CO 0.19 -2.03 1.36 -1.17 0.04 0.00 0.00 177.00 175.40 3jwn s LEU 105 N 7.01 4.40 -1.76 -3.56 2.96 -1.26 -3.17 118.68 123.31 3jwn s LEU 105 Ca 0.69 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 57.11 3jwn s LEU 105 Cb -0.16 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.91 3jwn s LEU 105 CO 0.29 -0.60 0.00 0.59 -1.32 0.00 0.00 176.35 175.31 3jwn n ASN 106 N 2.53 -5.28 -4.76 3.68 3.02 -0.68 -4.99 115.26 108.78 3jwn n ASN 106 Ca 0.06 0.21 -0.35 0.00 -0.03 0.00 0.00 54.58 54.48 3jwn n ASN 106 Cb 0.42 -4.37 0.03 0.00 -0.61 0.00 0.00 39.78 35.25 3jwn n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwn s ALA 107 N -2.80 2.54 0.62 5.41 0.00 -1.19 -5.02 121.76 121.32 3jwn s ALA 107 Ca 0.00 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 3jwn s ALA 107 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3jwn s ALA 107 CO 0.00 -1.12 1.04 -1.25 0.00 0.00 0.00 175.76 174.43 3jwn s PRO 108 N -3.49 3.38 0.28 0.00 0.04 -1.26 -4.96 135.00 128.99 3jwn s PRO 108 Ca 0.74 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.73 3jwn s PRO 108 Cb -0.27 -2.05 0.58 0.00 0.04 0.00 0.00 34.50 32.80 3jwn s PRO 108 CO 0.33 -0.74 1.81 0.77 0.04 0.00 0.00 177.00 179.21 3jwn h SER 109 N -0.13 0.85 0.33 6.66 0.02 -1.95 -0.74 113.55 118.59 3jwn h SER 109 Ca -0.45 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 3jwn h SER 109 Cb 1.20 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3jwn h SER 109 CO 0.59 0.42 -0.11 0.77 -1.14 0.00 0.00 176.83 177.36 3jwn h SER 110 N 0.90 0.00 1.87 3.07 4.64 -2.04 -2.15 113.55 119.84 3jwn h SER 110 Ca 0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.81 3jwn h SER 110 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3jwn h SER 110 CO -0.30 0.11 -0.13 0.00 -0.87 0.00 0.00 176.83 175.65 3jwn h ALA 111 N 1.89 0.93 -2.32 5.18 0.00 -1.51 -3.47 119.26 119.95 3jwn h ALA 111 Ca -0.00 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 54.33 3jwn h ALA 111 Cb 0.31 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.14 3jwn h ALA 111 CO 0.01 0.11 0.24 -0.51 0.00 0.00 0.00 179.25 179.10 3jwn s LEU 112 N -6.22 3.45 0.33 0.00 1.43 -0.81 -5.02 118.68 111.83 3jwn s LEU 112 Ca 0.06 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 3jwn s LEU 112 Cb 0.06 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 3jwn s LEU 112 CO 0.69 -0.72 0.01 -0.44 0.23 0.00 0.00 176.35 176.12 3jwn s SER 113 N -4.15 4.24 -0.28 2.29 0.01 -1.26 -5.03 113.70 109.51 3jwn s SER 113 Ca 0.51 -0.93 -0.22 0.00 1.31 0.00 0.00 55.95 56.61 3jwn s SER 113 Cb -0.11 -0.57 -0.01 0.00 0.21 0.00 0.00 66.02 65.54 3jwn s SER 113 CO 0.48 -0.20 0.72 0.26 0.41 0.00 0.00 173.24 174.91 3jwn s TRP 114 N -2.49 3.24 -0.20 2.43 0.52 -1.26 -4.14 118.94 117.04 3jwn s TRP 114 Ca 0.34 0.80 -0.28 0.00 0.02 0.00 0.00 56.10 56.99 3jwn s TRP 114 Cb -0.01 -3.05 -0.00 0.00 -1.15 0.00 0.00 33.47 29.26 3jwn s TRP 114 CO 0.19 -0.46 0.97 0.99 0.02 0.00 0.00 176.95 178.66 3jwn s THR 115 N 2.75 4.75 0.19 2.01 2.01 0.44 -4.89 115.64 122.91 3jwn s THR 115 Ca 0.29 1.90 -0.30 0.00 0.31 0.00 0.00 61.69 63.90 3jwn s THR 115 Cb -0.15 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 3jwn s THR 115 CO 0.11 -0.10 0.94 0.42 -0.69 0.00 0.00 174.62 175.30 3jwn s THR 116 N 2.76 4.24 0.13 -0.82 -4.23 -1.26 -0.99 115.64 115.46 3jwn s THR 116 Ca 0.42 2.06 0.10 0.00 -1.18 0.00 0.00 61.69 63.09 3jwn s THR 116 Cb -0.16 -4.32 -0.04 0.00 1.34 0.00 0.00 72.50 69.32 3jwn s THR 116 CO 0.09 0.44 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.65 3jwn s LEU 117 N -0.76 2.62 -0.33 4.79 1.43 -0.20 -4.94 118.68 121.29 3jwn s LEU 117 Ca 0.43 -0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 3jwn s LEU 117 Cb -0.25 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3jwn s LEU 117 CO 0.31 0.17 1.04 -0.89 0.23 0.00 0.00 176.35 177.22 3jwn s THR 118 N -1.18 4.52 0.48 5.49 2.01 -1.26 -4.55 115.64 121.15 3jwn s THR 118 Ca 0.18 1.63 -0.24 0.00 0.31 0.00 0.00 61.69 63.57 3jwn s THR 118 Cb -0.10 -4.40 -0.07 0.00 0.01 0.00 0.00 72.50 67.94 3jwn s THR 118 CO 0.09 -0.49 1.38 -2.84 -0.69 0.00 0.00 174.62 172.07 3jwn s PRO 119 N 3.62 3.52 0.00 4.92 0.02 -1.26 -3.45 135.00 142.37 3jwn s PRO 119 Ca 0.44 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.75 3jwn s PRO 119 Cb -0.12 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.89 3jwn s PRO 119 CO 0.16 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 3jwn n GLY 120 N 0.63 1.66 3.78 0.52 0.00 -1.26 -4.95 105.19 105.57 3jwn n GLY 120 Ca 0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3jwn n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwn s LYS 121 N 0.00 2.92 0.48 1.61 1.02 -1.22 -4.68 119.74 119.87 3jwn s LYS 121 Ca 0.00 1.36 -0.21 0.00 0.02 0.00 0.00 55.97 57.14 3jwn s LYS 121 Cb 0.00 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.27 3jwn s LYS 121 CO 0.00 -1.15 1.09 -1.25 -0.92 0.00 0.00 175.35 173.12 3jwn s PRO 122 N -4.06 3.73 -0.06 -1.68 0.04 -1.26 -4.77 135.00 126.94 3jwn s PRO 122 Ca 0.67 1.53 0.04 0.00 0.04 0.00 0.00 61.00 63.27 3jwn s PRO 122 Cb -0.20 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3jwn s PRO 122 CO 0.40 -0.52 -0.18 -0.80 0.04 0.00 0.00 177.00 175.94 3jwn s ASN 123 N -1.75 2.29 -0.19 6.66 0.01 -1.08 -4.94 114.94 115.95 3jwn s ASN 123 Ca 0.67 -0.39 -0.06 0.00 -0.71 0.00 0.00 52.86 52.37 3jwn s ASN 123 Cb -0.21 -0.81 -0.03 0.00 0.41 0.00 0.00 41.25 40.61 3jwn s ASN 123 CO 0.26 0.13 0.03 -0.89 -1.51 0.00 0.00 177.10 175.12 3jwn s THR 124 N 0.22 4.27 -0.23 1.60 2.01 -1.26 -1.23 115.64 121.02 3jwn s THR 124 Ca -0.09 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 3jwn s THR 124 Cb -0.14 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3jwn s THR 124 CO 0.04 0.43 0.09 -0.76 -0.69 0.00 0.00 174.62 173.73 3jwn s LEU 125 N 0.79 3.71 -0.12 4.42 1.43 -0.58 -4.98 118.68 123.36 3jwn s LEU 125 Ca 0.02 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 3jwn s LEU 125 Cb -0.14 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3jwn s LEU 125 CO 0.02 0.04 0.09 0.20 0.23 0.00 0.00 176.35 176.93 3jwn s ASN 126 N 1.18 5.94 0.16 2.29 0.01 -1.26 -1.23 114.94 122.03 3jwn s ASN 126 Ca 0.05 0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 52.47 3jwn s ASN 126 Cb -0.14 -1.88 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 3jwn s ASN 126 CO 0.04 0.36 0.17 -0.36 -1.51 0.00 0.00 177.10 175.79 3jwn s PHE 127 N -0.73 0.74 0.00 2.20 0.08 -0.47 -3.77 117.98 116.04 3jwn s PHE 127 Ca 0.13 -1.08 0.03 0.00 0.12 0.00 0.00 56.93 56.13 3jwn s PHE 127 Cb -0.12 -0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 42.00 3jwn s PHE 127 CO 0.03 -0.63 -0.11 0.71 -0.10 0.00 0.00 175.22 175.12 3jwn s TYR 128 N -4.04 0.94 0.11 0.36 2.02 -0.47 -0.84 117.35 115.44 3jwn s TYR 128 Ca 0.24 -0.23 0.10 0.00 -0.37 0.00 0.00 57.07 56.82 3jwn s TYR 128 Cb 0.06 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 3jwn s TYR 128 CO 0.03 -0.01 -0.26 0.00 -1.57 0.00 0.00 175.55 173.75 3jwn s ALA 129 N -0.43 2.39 0.12 3.71 0.00 0.04 -0.03 121.76 127.57 3jwn s ALA 129 Ca 0.02 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 3jwn s ALA 129 Cb -0.05 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.70 3jwn s ALA 129 CO -0.00 0.55 0.63 -0.98 0.00 0.00 0.00 175.76 175.96 3jwn s ARG 130 N -1.87 1.21 -0.03 0.00 1.70 -0.54 -1.15 118.95 118.27 3jwn s ARG 130 Ca 0.14 -0.37 -0.23 0.00 -0.47 0.00 0.00 55.73 54.80 3jwn s ARG 130 Cb -0.10 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 3jwn s ARG 130 CO 0.06 -0.52 0.67 -0.51 -1.08 0.00 0.00 175.30 173.92 3jwn s LEU 131 N -2.54 4.37 0.04 -1.89 1.43 -1.26 0.13 118.68 118.95 3jwn s LEU 131 Ca -0.00 1.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 3jwn s LEU 131 Cb -0.01 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3jwn s LEU 131 CO -0.10 -0.02 -0.23 -0.32 0.23 0.00 0.00 176.35 175.91 3jwn s MET 132 N 0.35 1.92 0.18 1.70 -2.45 0.06 -4.39 119.30 116.67 3jwn s MET 132 Ca 0.35 -1.05 -0.30 0.00 -1.25 0.00 0.00 55.69 53.44 3jwn s MET 132 Cb -0.18 -2.07 -0.08 0.00 1.25 0.00 0.00 34.83 33.76 3jwn s MET 132 CO 0.18 0.53 1.05 0.00 1.05 0.00 0.00 175.02 177.83 3jwn s ALA 133 N -0.85 3.34 -0.06 4.11 0.00 -1.23 -1.79 121.76 125.28 3jwn s ALA 133 Ca 0.13 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 3jwn s ALA 133 Cb -0.10 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3jwn s ALA 133 CO 0.03 -0.11 -0.14 0.25 0.00 0.00 0.00 175.76 175.79 3jwn n THR 134 N 2.24 1.00 -3.88 0.00 -2.24 0.27 -3.86 114.28 107.80 3jwn n THR 134 Ca 0.02 0.08 -0.32 0.00 -2.27 0.00 0.00 64.05 61.56 3jwn n THR 134 Cb 0.47 -1.78 -0.04 0.00 -2.10 0.00 0.00 70.33 66.87 3jwn n THR 134 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3jwn s GLN 135 N -2.29 3.47 -0.16 -0.78 -0.21 -1.01 -4.75 119.66 113.92 3jwn s GLN 135 Ca -0.14 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 54.91 3jwn s GLN 135 Cb 0.04 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 31.02 3jwn s GLN 135 CO 0.19 0.62 -0.20 0.14 -2.12 0.00 0.00 175.29 173.91 3jwn s VAL 136 N -1.46 1.98 0.84 1.09 -7.23 -1.26 -4.07 120.40 110.29 3jwn s VAL 136 Ca 0.33 -0.91 -0.14 0.00 -1.81 0.00 0.00 61.98 59.45 3jwn s VAL 136 Cb -0.13 -1.77 0.19 0.00 0.56 0.00 0.00 36.38 35.23 3jwn s VAL 136 CO 0.24 0.53 1.14 -0.81 -0.31 0.00 0.00 175.10 175.90 3jwn n PRO 137 N 4.39 -1.11 -4.24 4.82 -0.04 -1.26 -5.13 135.00 132.42 3jwn n PRO 137 Ca -0.20 -1.77 -0.34 0.00 -0.04 0.00 0.00 63.50 61.14 3jwn n PRO 137 Cb 0.51 -1.18 -0.13 0.00 -0.04 0.00 0.00 33.50 32.66 3jwn n PRO 137 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3jwn s VAL 138 N -3.50 3.70 0.43 0.52 1.01 -1.26 -4.80 120.40 116.51 3jwn s VAL 138 Ca 0.65 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 3jwn s VAL 138 Cb -0.02 -2.64 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 3jwn s VAL 138 CO 0.45 0.46 0.93 0.42 0.00 0.00 0.00 175.10 177.36 3jwn s THR 139 N 0.81 4.45 0.83 3.92 -4.23 -1.09 -4.98 115.64 115.35 3jwn s THR 139 Ca -0.01 1.37 -0.12 0.00 -1.18 0.00 0.00 61.69 61.74 3jwn s THR 139 Cb -0.15 -3.62 0.09 0.00 1.34 0.00 0.00 72.50 70.16 3jwn s THR 139 CO 0.02 -0.37 1.18 0.00 -0.54 0.00 0.00 174.62 174.90 3jwn s ALA 140 N -2.24 2.50 0.00 3.99 0.00 -1.26 -3.40 121.76 121.35 3jwn s ALA 140 Ca 0.60 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.93 3jwn s ALA 140 Cb -0.09 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3jwn s ALA 140 CO 0.17 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.55 3jwn n GLY 141 N -3.15 0.61 3.78 0.00 0.00 -1.26 -4.06 105.19 101.11 3jwn n GLY 141 Ca 0.08 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 3jwn n GLY 141 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jwn s HIS 142 N -1.98 2.68 -0.33 1.61 3.76 -0.82 -4.32 115.29 115.89 3jwn s HIS 142 Ca 0.00 1.54 -0.00 0.00 -0.15 0.00 0.00 55.06 56.45 3jwn s HIS 142 Cb 0.00 -3.15 0.11 0.00 1.11 0.00 0.00 32.58 30.64 3jwn s HIS 142 CO 0.00 -1.59 0.12 0.42 -0.85 0.00 0.00 174.74 172.83 3jwn s ILE 143 N -2.32 1.02 0.01 0.60 1.01 -1.26 -1.01 121.20 119.26 3jwn s ILE 143 Ca 0.67 -1.62 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3jwn s ILE 143 Cb -0.20 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3jwn s ILE 143 CO 0.40 -0.71 -0.08 0.20 0.00 0.00 0.00 174.94 174.75 3jwn s ASN 144 N 1.39 0.96 0.20 3.58 -0.87 -1.26 -4.94 114.94 114.00 3jwn s ASN 144 Ca 0.11 -0.29 -0.13 0.00 -1.57 0.00 0.00 52.86 50.98 3jwn s ASN 144 Cb -0.18 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 40.99 3jwn s ASN 144 CO -0.20 0.00 0.42 0.00 -2.57 0.00 0.00 177.10 174.75 3jwn s ALA 145 N -0.59 -0.36 -0.21 0.60 0.00 -1.26 -1.39 121.76 118.55 3jwn s ALA 145 Ca -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 3jwn s ALA 145 Cb -0.05 0.92 0.10 0.00 0.00 0.00 0.00 23.12 24.09 3jwn s ALA 145 CO 0.00 -0.76 0.26 0.95 0.00 0.00 0.00 175.76 176.21 3jwn s THR 146 N -3.95 -0.39 0.42 0.00 -4.23 -1.26 -5.05 115.64 101.18 3jwn s THR 146 Ca 0.16 -0.09 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 3jwn s THR 146 Cb 0.01 -0.70 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 3jwn s THR 146 CO 0.02 -0.17 0.48 0.00 -0.54 0.00 0.00 174.62 174.40 3jwn s ALA 147 N 2.38 4.30 -0.14 3.99 0.00 -1.26 -4.69 121.76 126.34 3jwn s ALA 147 Ca 0.08 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.26 3jwn s ALA 147 Cb -0.16 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.68 3jwn s ALA 147 CO -0.13 -0.27 -0.11 0.99 0.00 0.00 0.00 175.76 176.24 3jwn s THR 148 N -2.42 1.33 0.00 0.00 2.01 0.11 -4.98 115.64 111.69 3jwn s THR 148 Ca 0.52 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 3jwn s THR 148 Cb -0.06 -1.30 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 3jwn s THR 148 CO 0.30 0.40 0.52 0.12 -0.69 0.00 0.00 174.62 175.27 3jwn s PHE 149 N 1.58 3.71 -0.15 4.92 2.19 -1.26 -0.73 117.98 128.24 3jwn s PHE 149 Ca 0.05 1.12 0.02 0.00 0.33 0.00 0.00 56.93 58.44 3jwn s PHE 149 Cb -0.13 -2.48 0.01 0.00 -1.31 0.00 0.00 43.02 39.12 3jwn s PHE 149 CO -0.10 0.48 -0.21 0.99 1.83 0.00 0.00 175.22 178.21 3jwn s THR 150 N -0.60 2.03 -0.28 0.12 2.01 0.75 -4.98 115.64 114.69 3jwn s THR 150 Ca 0.27 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 3jwn s THR 150 Cb -0.18 -1.81 0.02 0.00 0.01 0.00 0.00 72.50 70.55 3jwn s THR 150 CO 0.16 0.54 0.02 -0.76 -0.69 0.00 0.00 174.62 173.89 3jwn s LEU 151 N 0.93 3.64 -0.26 4.42 1.43 -1.26 -2.25 118.68 125.33 3jwn s LEU 151 Ca -0.04 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.13 3jwn s LEU 151 Cb -0.15 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3jwn s LEU 151 CO -0.04 -0.18 0.08 -0.70 0.23 0.00 0.00 176.35 175.73 3jwn s GLU 152 N 1.40 3.51 0.33 1.70 2.12 -0.34 -4.96 118.70 122.47 3jwn s GLU 152 Ca 0.01 -0.58 -0.16 0.00 0.36 0.00 0.00 54.97 54.60 3jwn s GLU 152 Cb -0.17 -3.35 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 3jwn s GLU 152 CO -0.00 -0.26 0.76 0.71 -0.54 0.00 0.00 175.26 175.93 3jwn s TYR 153 N 1.59 3.38 -2.00 5.30 1.51 -1.26 -1.31 117.35 124.57 3jwn s TYR 153 Ca 0.05 1.28 0.22 0.00 -1.01 0.00 0.00 57.07 57.62 3jwn s TYR 153 Cb -0.16 -2.58 1.34 0.00 -0.11 0.00 0.00 41.96 40.45 3jwn s TYR 153 CO 0.03 0.08 1.71 0.94 -1.11 0.00 0.00 175.55 177.21