#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwn s ALA 2 N 0.00 2.62 0.13 3.13 0.00 -0.38 -4.96 121.76 122.31 3jwn s ALA 2 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.11 3jwn s ALA 2 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 3jwn s ALA 2 CO 0.00 0.36 -0.17 0.00 0.00 0.00 0.00 175.76 175.95 3jwn s LYS 4 N -2.54 0.69 0.92 0.00 -2.85 -0.33 -0.52 119.74 115.11 3jwn s LYS 4 Ca 0.11 -0.63 -0.14 0.00 -1.00 0.00 0.00 55.97 54.30 3jwn s LYS 4 Cb -0.06 0.29 0.15 0.00 -2.06 0.00 0.00 37.83 36.14 3jwn s LYS 4 CO 0.05 -0.20 1.21 0.95 0.10 0.00 0.00 175.35 177.46 3jwn s THR 5 N -2.56 1.96 0.29 3.79 -4.23 0.12 -1.58 115.64 113.42 3jwn s THR 5 Ca -0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.44 3jwn s THR 5 Cb -0.01 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.20 3jwn s THR 5 CO -0.04 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 175.97 3jwn h ALA 6 N -1.49 1.41 0.00 3.99 0.00 -0.84 -1.04 119.26 121.29 3jwn h ALA 6 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3jwn h ALA 6 Cb 1.30 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3jwn h ALA 6 CO 0.53 0.50 0.00 -0.91 0.00 0.00 0.00 179.25 179.37 3jwn h ASN 7 N 1.15 0.00 0.00 0.00 2.35 -1.91 -3.46 115.58 113.72 3jwn h ASN 7 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3jwn h ASN 7 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3jwn h ASN 7 CO -0.11 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.28 3jwn n GLY 8 N -0.85 0.67 3.69 2.83 0.00 -0.39 -5.07 105.19 106.06 3jwn n GLY 8 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3jwn n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwn s THR 9 N -2.00 4.33 0.09 2.61 2.01 -1.26 -4.73 115.64 116.70 3jwn s THR 9 Ca 0.00 1.65 -0.31 0.00 0.31 0.00 0.00 61.69 63.34 3jwn s THR 9 Cb 0.00 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 3jwn s THR 9 CO 0.00 0.01 1.39 0.00 -0.69 0.00 0.00 174.62 175.33 3jwn s ALA 10 N 2.12 3.58 -0.29 7.40 0.00 -1.26 -0.70 121.76 132.61 3jwn s ALA 10 Ca 0.55 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 53.30 3jwn s ALA 10 Cb -0.24 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.34 3jwn s ALA 10 CO 0.22 -0.68 0.98 0.42 0.00 0.00 0.00 175.76 176.70 3jwn s ILE 11 N 1.40 4.64 0.30 0.00 1.01 0.32 -4.94 121.20 123.92 3jwn s ILE 11 Ca 0.64 1.68 -0.30 0.00 0.00 0.00 0.00 60.65 62.68 3jwn s ILE 11 Cb -0.36 -4.31 -0.11 0.00 0.01 0.00 0.00 42.46 37.70 3jwn s ILE 11 CO 0.30 -0.32 1.58 -2.16 0.00 0.00 0.00 174.94 174.34 3jwn s PRO 12 N 3.32 4.12 0.34 2.79 0.04 -1.26 -4.52 135.00 139.83 3jwn s PRO 12 Ca 0.41 2.57 -0.22 0.00 0.04 0.00 0.00 61.00 63.80 3jwn s PRO 12 Cb -0.14 -3.02 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 3jwn s PRO 12 CO 0.12 -0.62 0.89 0.42 0.04 0.00 0.00 177.00 177.84 3jwn s ILE 13 N -0.08 4.38 -5.00 0.56 1.01 -1.26 -4.90 121.20 115.91 3jwn s ILE 13 Ca 0.62 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.81 3jwn s ILE 13 Cb -0.48 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.18 3jwn s ILE 13 CO 0.49 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3jwn n GLY 14 N 0.13 -1.09 0.78 6.18 0.00 -1.26 -4.96 105.19 104.96 3jwn n GLY 14 Ca 0.03 -1.29 0.03 0.00 0.00 0.00 0.00 46.02 44.78 3jwn n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwn n GLY 15 N 0.00 4.99 0.00 -0.02 0.00 -1.26 -4.64 105.19 104.26 3jwn n GLY 15 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3jwn n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwn n GLY 16 N -1.12 1.13 3.23 -0.02 0.00 -1.26 -4.68 105.19 102.47 3jwn n GLY 16 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 3jwn n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwn s SER 17 N 0.13 0.17 -0.12 1.61 1.04 -1.26 -1.54 113.70 113.74 3jwn s SER 17 Ca 0.00 -1.23 -0.08 0.00 0.48 0.00 0.00 55.95 55.12 3jwn s SER 17 Cb 0.00 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.53 3jwn s SER 17 CO 0.00 -0.83 0.29 0.00 0.98 0.00 0.00 173.24 173.68 3jwn s ALA 18 N -4.09 -0.70 -0.20 5.32 0.00 -0.47 -4.93 121.76 116.69 3jwn s ALA 18 Ca 0.30 0.99 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 3jwn s ALA 18 Cb 0.06 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3jwn s ALA 18 CO 0.07 -0.18 0.68 -0.80 0.00 0.00 0.00 175.76 175.53 3jwn s ASN 19 N 0.78 6.72 -0.25 0.00 0.01 -1.26 -0.95 114.94 119.99 3jwn s ASN 19 Ca -0.05 0.88 -0.01 0.00 -0.71 0.00 0.00 52.86 52.98 3jwn s ASN 19 Cb -0.06 -2.37 0.03 0.00 0.41 0.00 0.00 41.25 39.26 3jwn s ASN 19 CO -0.05 -0.33 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.44 3jwn s VAL 20 N 2.11 2.68 -0.15 1.60 1.01 0.74 -4.95 120.40 123.45 3jwn s VAL 20 Ca 0.30 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 3jwn s VAL 20 Cb -0.16 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3jwn s VAL 20 CO 0.10 0.18 0.58 -0.31 0.00 0.00 0.00 175.10 175.65 3jwn s TYR 21 N 1.28 3.46 0.09 5.22 1.51 -1.26 -0.67 117.35 126.99 3jwn s TYR 21 Ca -0.01 0.95 -0.00 0.00 -1.01 0.00 0.00 57.07 57.00 3jwn s TYR 21 Cb -0.17 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 38.94 3jwn s TYR 21 CO -0.05 -0.00 -0.01 0.14 -1.11 0.00 0.00 175.55 174.51 3jwn s VAL 22 N 1.25 0.34 -0.09 0.71 -7.23 -0.38 -4.85 120.40 110.15 3jwn s VAL 22 Ca 0.29 -1.88 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 3jwn s VAL 22 Cb -0.16 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 3jwn s VAL 22 CO 0.12 -0.78 0.41 0.20 -0.31 0.00 0.00 175.10 174.74 3jwn s ASN 23 N -3.01 6.66 -0.09 4.85 -0.87 -1.26 -1.71 114.94 119.51 3jwn s ASN 23 Ca 0.14 0.78 -0.04 0.00 -1.57 0.00 0.00 52.86 52.18 3jwn s ASN 23 Cb 0.07 -2.25 -0.04 0.00 -0.02 0.00 0.00 41.25 39.02 3jwn s ASN 23 CO -0.04 0.13 0.08 -0.76 -2.57 0.00 0.00 177.10 173.94 3jwn s LEU 24 N 0.02 4.01 -0.51 0.60 1.02 -1.26 -4.76 118.68 117.79 3jwn s LEU 24 Ca 0.23 0.29 0.07 0.00 0.02 0.00 0.00 54.13 54.74 3jwn s LEU 24 Cb -0.15 -2.02 0.24 0.00 0.02 0.00 0.00 46.19 44.28 3jwn s LEU 24 CO 0.10 0.37 0.60 0.00 0.02 0.00 0.00 176.35 177.44 3jwn n ALA 25 N 1.89 3.20 -0.76 4.21 0.00 -1.26 -5.03 120.51 122.76 3jwn n ALA 25 Ca -0.18 -4.02 -0.33 0.00 0.00 0.00 0.00 53.44 48.92 3jwn n ALA 25 Cb 0.54 -0.86 0.13 0.00 0.00 0.00 0.00 19.45 19.27 3jwn n ALA 25 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3jwn n PRO 26 N 1.29 -0.50 -3.58 0.00 -0.02 -1.25 -4.90 135.00 126.04 3jwn n PRO 26 Ca 0.25 -0.11 -0.12 0.00 -2.02 0.00 0.00 63.50 61.51 3jwn n PRO 26 Cb 0.47 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 3jwn n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jwn s ALA 27 N -2.41 -1.89 -0.25 3.55 0.00 -0.72 -4.98 121.76 115.07 3jwn s ALA 27 Ca 0.58 1.64 -0.25 0.00 0.00 0.00 0.00 51.96 53.93 3jwn s ALA 27 Cb -0.20 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 3jwn s ALA 27 CO 0.66 -0.31 0.85 0.08 0.00 0.00 0.00 175.76 177.05 3jwn s VAL 28 N -0.67 4.81 0.45 0.00 1.01 -1.26 -0.97 120.40 123.76 3jwn s VAL 28 Ca -0.02 1.60 0.06 0.00 0.00 0.00 0.00 61.98 63.61 3jwn s VAL 28 Cb -0.02 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3jwn s VAL 28 CO 0.02 -0.10 0.16 0.20 0.00 0.00 0.00 175.10 175.37 3jwn s ASN 29 N 1.35 4.34 -0.02 3.32 0.01 -1.02 -4.81 114.94 118.10 3jwn s ASN 29 Ca 0.36 -1.23 -0.30 0.00 -0.71 0.00 0.00 52.86 50.98 3jwn s ASN 29 Cb -0.15 -0.19 -0.05 0.00 0.41 0.00 0.00 41.25 41.26 3jwn s ASN 29 CO 0.08 -0.66 1.47 -0.69 -1.51 0.00 0.00 177.10 175.79 3jwn s VAL 30 N -2.68 3.67 0.00 1.60 1.01 -1.26 -3.79 120.40 118.95 3jwn s VAL 30 Ca 0.34 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.31 3jwn s VAL 30 Cb 0.03 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3jwn s VAL 30 CO 0.19 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3jwn n GLY 31 N 3.79 1.68 3.14 4.51 0.00 -1.26 -4.90 105.19 112.15 3jwn n GLY 31 Ca 0.14 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3jwn n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jwn s GLN 32 N 0.00 0.76 -0.14 1.61 -1.52 -1.25 -4.40 119.66 114.71 3jwn s GLN 32 Ca 0.00 -1.06 -0.02 0.00 -1.95 0.00 0.00 55.36 52.33 3jwn s GLN 32 Cb 0.00 -0.44 -0.02 0.00 -0.22 0.00 0.00 33.01 32.32 3jwn s GLN 32 CO 0.00 0.07 -0.07 -0.80 -0.25 0.00 0.00 175.29 174.24 3jwn s ASN 33 N -2.23 4.52 0.11 5.90 0.01 -0.29 -2.44 114.94 120.51 3jwn s ASN 33 Ca 0.01 -0.19 -0.31 0.00 -0.71 0.00 0.00 52.86 51.67 3jwn s ASN 33 Cb -0.04 -1.68 -0.08 0.00 0.41 0.00 0.00 41.25 39.85 3jwn s ASN 33 CO -0.00 0.18 1.42 -0.22 -1.51 0.00 0.00 177.10 176.96 3jwn s LEU 34 N 0.28 4.36 -0.18 0.60 0.20 -0.14 -0.39 118.68 123.41 3jwn s LEU 34 Ca -0.06 2.33 -0.15 0.00 0.69 0.00 0.00 54.13 56.95 3jwn s LEU 34 Cb -0.15 -3.58 -0.07 0.00 -0.43 0.00 0.00 46.19 41.96 3jwn s LEU 34 CO 0.04 -0.68 -0.31 0.52 -0.29 0.00 0.00 176.35 175.62 3jwn n VAL 35 N 4.05 1.44 -3.90 1.68 0.31 -0.67 -1.76 118.33 119.48 3jwn n VAL 35 Ca 0.12 0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.36 3jwn n VAL 35 Cb 0.42 -2.14 -0.12 0.00 -0.91 0.00 0.00 33.84 31.09 3jwn n VAL 35 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3jwn s VAL 36 N -2.70 0.05 -0.47 2.52 1.01 -1.15 -3.81 120.40 115.85 3jwn s VAL 36 Ca -0.28 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3jwn s VAL 36 Cb 0.06 -0.19 0.12 0.00 0.00 0.00 0.00 36.38 36.38 3jwn s VAL 36 CO 0.40 -0.23 0.23 -0.62 0.00 0.00 0.00 175.10 174.88 3jwn s ASP 37 N -0.69 4.81 0.10 3.32 -1.08 -1.26 -1.12 116.67 120.75 3jwn s ASP 37 Ca -0.08 -2.56 0.21 0.00 -0.52 0.00 0.00 52.55 49.61 3jwn s ASP 37 Cb -0.05 -1.72 0.85 0.00 -1.46 0.00 0.00 42.92 40.54 3jwn s ASP 37 CO -0.00 -0.36 1.64 0.18 0.52 0.00 0.00 175.17 177.15 3jwn n LEU 38 N 3.79 0.30 0.24 -1.34 4.77 -0.62 -3.11 117.00 121.03 3jwn n LEU 38 Ca 0.04 0.56 0.16 0.00 -0.03 0.00 0.00 56.01 56.74 3jwn n LEU 38 Cb 0.38 -0.50 0.73 0.00 -2.33 0.00 0.00 43.42 41.69 3jwn n LEU 38 CO 0.30 -0.30 0.98 0.77 -1.33 0.00 0.00 177.39 177.81 3jwn h SER 39 N 0.00 0.00 -0.02 -1.43 4.64 -1.49 -0.12 113.55 115.13 3jwn h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jwn h SER 39 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3jwn h SER 39 CO 0.00 0.00 -0.20 0.35 -0.87 0.00 0.00 176.83 176.11 3jwn n THR 40 N -2.80 0.00 -0.03 2.95 -2.24 -1.18 -4.61 114.28 106.37 3jwn n THR 40 Ca 0.00 -0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 3jwn n THR 40 Cb 0.22 1.37 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 3jwn n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jwn n GLN 41 N 0.67 3.02 -4.97 -0.78 1.13 -0.44 -4.69 117.38 111.32 3jwn n GLN 41 Ca 0.11 -0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.88 3jwn n GLN 41 Cb 0.51 -1.14 -0.17 0.00 0.11 0.00 0.00 30.24 29.55 3jwn n GLN 41 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3jwn s ILE 42 N -2.14 1.69 -0.05 5.09 1.01 -0.19 -0.18 121.20 126.43 3jwn s ILE 42 Ca -0.03 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3jwn s ILE 42 Cb 0.02 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 41.03 3jwn s ILE 42 CO 0.22 0.48 -0.12 -0.36 0.00 0.00 0.00 174.94 175.16 3jwn s PHE 43 N 0.35 1.35 0.04 3.97 0.40 -0.62 -0.97 117.98 122.51 3jwn s PHE 43 Ca -0.14 -0.45 0.06 0.00 -0.60 0.00 0.00 56.93 55.79 3jwn s PHE 43 Cb -0.16 -0.98 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 3jwn s PHE 43 CO 0.06 -0.22 -0.16 0.00 0.70 0.00 0.00 175.22 175.60 3jwn s HIS 45 N -0.87 0.81 -0.27 0.00 -3.43 -0.23 -1.33 115.29 109.97 3jwn s HIS 45 Ca 0.03 -1.10 -0.04 0.00 -0.80 0.00 0.00 55.06 53.15 3jwn s HIS 45 Cb -0.08 -0.26 0.02 0.00 -1.43 0.00 0.00 32.58 30.83 3jwn s HIS 45 CO 0.02 -0.76 0.01 1.21 -2.00 0.00 0.00 174.74 173.21 3jwn s ASN 46 N -3.09 4.71 0.32 7.38 3.84 0.04 -1.25 114.94 126.88 3jwn s ASN 46 Ca 0.31 -0.78 0.08 0.00 0.21 0.00 0.00 52.86 52.68 3jwn s ASN 46 Cb 0.04 -1.77 0.54 0.00 -0.55 0.00 0.00 41.25 39.51 3jwn s ASN 46 CO 0.10 -0.16 1.74 0.44 -2.79 0.00 0.00 177.10 176.43 3jwn h ASP 47 N 8.12 0.19 -2.15 -4.21 3.32 -1.92 -3.17 116.42 116.60 3jwn h ASP 47 Ca -0.32 -0.07 -0.55 0.00 0.02 0.00 0.00 57.03 56.10 3jwn h ASP 47 Cb 1.12 -0.05 -0.41 0.00 0.22 0.00 0.00 39.33 40.20 3jwn h ASP 47 CO 0.59 0.56 -0.86 -1.22 -1.72 0.00 0.00 179.24 176.58 3jwn n TYR 48 N -4.06 2.31 0.23 4.55 4.02 -1.26 -4.92 117.16 118.03 3jwn n TYR 48 Ca -0.01 -3.92 0.08 0.00 -0.01 0.00 0.00 57.90 54.04 3jwn n TYR 48 Cb 0.45 -0.46 0.55 0.00 -0.02 0.00 0.00 39.34 39.85 3jwn n TYR 48 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3jwn h PRO 49 N 3.25 0.00 0.00 -0.72 0.13 -1.72 -2.26 132.00 130.68 3jwn h PRO 49 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 3jwn h PRO 49 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 3jwn h PRO 49 CO 0.68 0.23 -0.20 1.05 -0.23 0.00 0.00 178.00 179.52 3jwn h GLU 50 N 0.00 0.00 0.00 0.86 -0.00 -1.91 -3.27 114.58 110.26 3jwn h GLU 50 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 3jwn h GLU 50 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.25 3jwn h GLU 50 CO 0.03 0.20 -1.61 0.25 -0.00 0.00 0.00 179.01 177.88 3jwn n THR 51 N -3.57 0.18 -3.65 -1.06 -2.24 -1.04 -5.07 114.28 97.83 3jwn n THR 51 Ca -0.01 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.29 3jwn n THR 51 Cb 0.35 0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 3jwn n THR 51 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3jwn s ILE 52 N -2.72 0.03 -0.06 2.28 2.07 -0.88 -5.00 121.20 116.93 3jwn s ILE 52 Ca -0.05 -0.23 0.06 0.00 -1.41 0.00 0.00 60.65 59.02 3jwn s ILE 52 Cb 0.07 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.85 3jwn s ILE 52 CO 0.50 -0.13 -0.24 -0.89 -1.91 0.00 0.00 174.94 172.27 3jwn s THR 53 N -1.18 1.97 0.01 4.00 2.01 -1.26 -4.14 115.64 117.04 3jwn s THR 53 Ca -0.12 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 60.85 3jwn s THR 53 Cb -0.03 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3jwn s THR 53 CO 0.07 0.55 0.12 -1.81 -0.69 0.00 0.00 174.62 172.86 3jwn s ASP 54 N -0.12 5.92 -0.02 3.53 1.01 -0.97 -1.96 116.67 124.06 3jwn s ASP 54 Ca -0.04 0.20 0.04 0.00 0.71 0.00 0.00 52.55 53.46 3jwn s ASP 54 Cb -0.14 -1.75 -0.01 0.00 1.01 0.00 0.00 42.92 42.04 3jwn s ASP 54 CO 0.04 0.25 -0.13 -0.31 0.21 0.00 0.00 175.17 175.23 3jwn s TYR 55 N -1.27 1.28 -0.03 4.23 1.51 0.18 -1.26 117.35 121.99 3jwn s TYR 55 Ca 0.26 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 3jwn s TYR 55 Cb -0.12 -0.85 -0.00 0.00 -0.11 0.00 0.00 41.96 40.87 3jwn s TYR 55 CO 0.17 -0.07 -0.12 0.08 -1.11 0.00 0.00 175.55 174.49 3jwn s VAL 56 N -0.11 1.03 0.13 0.71 1.01 -0.78 -0.80 120.40 121.59 3jwn s VAL 56 Ca 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3jwn s VAL 56 Cb -0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3jwn s VAL 56 CO 0.00 0.30 -0.16 0.28 0.00 0.00 0.00 175.10 175.53 3jwn s THR 57 N 0.01 1.47 -0.30 3.92 -1.32 0.29 -1.37 115.64 118.33 3jwn s THR 57 Ca -0.01 -1.72 -0.12 0.00 -1.21 0.00 0.00 61.69 58.64 3jwn s THR 57 Cb -0.08 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 3jwn s THR 57 CO 0.01 -0.34 0.21 -0.22 -2.21 0.00 0.00 174.62 172.06 3jwn s LEU 58 N -2.40 4.18 0.68 9.08 2.96 -1.26 -1.22 118.68 130.70 3jwn s LEU 58 Ca 0.09 -0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.77 3jwn s LEU 58 Cb -0.06 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.52 3jwn s LEU 58 CO 0.04 -0.11 1.04 -1.58 -1.32 0.00 0.00 176.35 174.42 3jwn s GLN 59 N 1.75 2.76 0.61 1.98 2.00 0.04 -1.71 119.66 127.10 3jwn s GLN 59 Ca 0.07 0.25 -0.15 0.00 -2.00 0.00 0.00 55.36 53.53 3jwn s GLN 59 Cb -0.16 -2.10 -0.03 0.00 0.80 0.00 0.00 33.01 31.52 3jwn s GLN 59 CO 0.11 -1.00 1.06 -0.98 -0.50 0.00 0.00 175.29 173.98 3jwn s ARG 60 N -5.27 3.22 0.00 1.67 1.70 -1.26 -3.66 118.95 115.35 3jwn s ARG 60 Ca 0.57 1.18 0.00 0.00 -0.47 0.00 0.00 55.73 57.01 3jwn s ARG 60 Cb -0.11 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.25 3jwn s ARG 60 CO 0.49 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 174.23 3jwn n GLY 61 N -1.10 0.86 3.70 3.88 0.00 -0.24 -4.91 105.19 107.38 3jwn n GLY 61 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3jwn n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jwn s SER 62 N -2.73 6.78 0.27 1.61 0.01 -1.24 -4.85 113.70 113.55 3jwn s SER 62 Ca 0.00 2.31 -0.17 0.00 1.31 0.00 0.00 55.95 59.40 3jwn s SER 62 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.67 3jwn s SER 62 CO 0.00 -0.72 0.63 0.00 0.41 0.00 0.00 173.24 173.55 3jwn s ALA 63 N 1.74 -0.79 0.56 1.44 0.00 -0.55 -1.54 121.76 122.62 3jwn s ALA 63 Ca 0.66 -0.57 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 3jwn s ALA 63 Cb -0.36 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 3jwn s ALA 63 CO 0.30 -0.96 1.13 0.71 0.00 0.00 0.00 175.76 176.93 3jwn s TYR 64 N -3.88 2.64 0.38 0.00 4.12 -1.26 -0.50 117.35 118.85 3jwn s TYR 64 Ca 0.16 1.54 0.00 0.00 0.02 0.00 0.00 57.07 58.80 3jwn s TYR 64 Cb -0.04 -3.29 -0.00 0.00 -1.52 0.00 0.00 41.96 37.11 3jwn s TYR 64 CO 0.08 -1.63 0.02 0.41 0.02 0.00 0.00 175.55 174.45 3jwn n GLY 65 N 0.09 3.67 7.00 0.71 0.00 0.38 -4.33 105.19 112.72 3jwn n GLY 65 Ca 0.12 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3jwn n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwn n GLY 66 N 0.25 2.92 0.24 -0.02 0.00 -1.26 -1.77 105.19 105.55 3jwn n GLY 66 Ca -0.15 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.89 3jwn n GLY 66 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3jwn h VAL 67 N 0.00 0.38 -0.00 1.61 -1.51 -1.93 -2.01 116.25 112.79 3jwn h VAL 67 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3jwn h VAL 67 Cb 0.00 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3jwn h VAL 67 CO 0.00 0.14 -0.09 0.18 -1.23 0.00 0.00 177.57 176.57 3jwn n LEU 68 N -3.31 0.43 0.28 4.19 4.77 -0.73 -4.39 117.00 118.25 3jwn n LEU 68 Ca 0.00 0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 3jwn n LEU 68 Cb 0.38 -0.18 0.84 0.00 -2.33 0.00 0.00 43.42 42.13 3jwn n LEU 68 CO 0.31 0.08 1.05 0.77 -1.33 0.00 0.00 177.39 178.27 3jwn h SER 69 N 0.54 0.00 0.68 -1.43 4.64 -0.57 -0.59 113.55 116.82 3jwn h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jwn h SER 69 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3jwn h SER 69 CO 0.00 0.06 -0.00 -1.54 -0.87 0.00 0.00 176.83 174.48 3jwn n SER 70 N -3.68 0.00 -4.94 4.97 3.41 -1.26 -4.83 113.62 107.30 3jwn n SER 70 Ca -0.02 0.03 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 3jwn n SER 70 Cb 0.16 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 3jwn n SER 70 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3jwn s PHE 71 N -2.69 3.48 0.21 7.33 0.40 -0.23 -5.13 117.98 121.36 3jwn s PHE 71 Ca 0.25 0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.92 3jwn s PHE 71 Cb 0.20 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.84 3jwn s PHE 71 CO 0.48 0.30 -0.01 -1.54 0.70 0.00 0.00 175.22 175.15 3jwn s SER 72 N -3.54 1.64 0.00 1.36 1.04 -1.26 -4.74 113.70 108.20 3jwn s SER 72 Ca 0.39 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.62 3jwn s SER 72 Cb -0.10 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3jwn s SER 72 CO 0.31 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.62 3jwn n GLY 73 N -0.35 1.64 3.37 7.32 0.00 0.14 -0.35 105.19 116.96 3jwn n GLY 73 Ca -0.06 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 3jwn n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jwn s THR 74 N 0.41 1.61 -0.10 2.61 -4.23 -1.16 0.05 115.64 114.83 3jwn s THR 74 Ca 0.00 -2.15 0.04 0.00 -1.18 0.00 0.00 61.69 58.39 3jwn s THR 74 Cb 0.00 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3jwn s THR 74 CO 0.00 -0.46 -0.22 0.54 -0.54 0.00 0.00 174.62 173.94 3jwn s VAL 75 N -3.05 1.91 -0.67 2.29 0.11 0.28 -0.82 120.40 120.45 3jwn s VAL 75 Ca 0.25 -0.93 -0.17 0.00 -2.93 0.00 0.00 61.98 58.20 3jwn s VAL 75 Cb 0.02 -1.67 0.14 0.00 -1.53 0.00 0.00 36.38 33.34 3jwn s VAL 75 CO 0.09 0.53 0.71 -0.75 -3.33 0.00 0.00 175.10 172.35 3jwn s LYS 76 N 0.43 3.23 -0.24 1.54 2.20 0.55 -0.57 119.74 126.87 3jwn s LYS 76 Ca -0.17 -1.75 -0.08 0.00 -0.36 0.00 0.00 55.97 53.61 3jwn s LYS 76 Cb -0.17 -4.38 -0.03 0.00 -1.51 0.00 0.00 37.83 31.73 3jwn s LYS 76 CO 0.07 -1.45 0.09 -0.47 -0.36 0.00 0.00 175.35 173.23 3jwn s TYR 77 N 1.80 3.14 -1.52 4.03 5.04 0.71 -1.83 117.35 128.72 3jwn s TYR 77 Ca 0.13 -0.23 -0.04 0.00 -2.44 0.00 0.00 57.07 54.49 3jwn s TYR 77 Cb -0.20 -2.23 0.03 0.00 0.35 0.00 0.00 41.96 39.91 3jwn s TYR 77 CO 0.00 -0.22 0.35 -1.71 -1.34 0.00 0.00 175.55 172.63 3jwn n ASN 78 N 4.66 -0.41 0.00 4.32 4.05 0.60 -1.74 115.26 126.74 3jwn n ASN 78 Ca -0.16 -1.10 0.00 0.00 0.45 0.00 0.00 54.58 53.77 3jwn n ASN 78 Cb 0.52 -2.49 0.00 0.00 1.23 0.00 0.00 39.78 39.03 3jwn n ASN 78 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jwn n GLY 79 N -2.04 3.16 3.52 8.20 0.00 -1.26 -5.03 105.19 111.74 3jwn n GLY 79 Ca -0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 3jwn n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jwn s SER 80 N -0.15 4.02 -0.11 1.61 0.01 -0.71 -5.09 113.70 113.27 3jwn s SER 80 Ca 0.00 -0.63 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 3jwn s SER 80 Cb 0.00 -0.59 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 3jwn s SER 80 CO 0.00 0.12 0.22 -0.44 0.41 0.00 0.00 173.24 173.55 3jwn s SER 81 N -2.65 6.47 0.19 2.44 0.01 -1.26 -0.21 113.70 118.69 3jwn s SER 81 Ca 0.23 0.56 0.08 0.00 1.31 0.00 0.00 55.95 58.12 3jwn s SER 81 Cb -0.09 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 3jwn s SER 81 CO 0.13 0.32 -0.15 -0.31 0.41 0.00 0.00 173.24 173.64 3jwn s TYR 82 N -0.69 1.72 0.51 2.43 1.51 0.26 -4.95 117.35 118.14 3jwn s TYR 82 Ca 0.16 -0.54 -0.22 0.00 -1.01 0.00 0.00 57.07 55.46 3jwn s TYR 82 Cb -0.13 -0.82 -0.06 0.00 -0.11 0.00 0.00 41.96 40.84 3jwn s TYR 82 CO 0.05 0.34 1.22 -2.14 -1.11 0.00 0.00 175.55 173.91 3jwn s PRO 83 N -3.33 3.45 -0.06 -1.71 0.02 -1.26 -0.56 135.00 131.55 3jwn s PRO 83 Ca 0.19 1.90 -0.00 0.00 0.02 0.00 0.00 61.00 63.11 3jwn s PRO 83 Cb -0.02 -2.27 0.03 0.00 0.02 0.00 0.00 34.50 32.25 3jwn s PRO 83 CO 0.06 -0.84 -0.02 0.12 -0.33 0.00 0.00 177.00 176.00 3jwn s PHE 84 N -1.50 0.72 0.51 6.54 5.36 0.11 -3.21 117.98 126.51 3jwn s PHE 84 Ca 0.68 -0.20 -0.23 0.00 -0.96 0.00 0.00 56.93 56.23 3jwn s PHE 84 Cb -0.32 -0.76 -0.06 0.00 -0.34 0.00 0.00 43.02 41.54 3jwn s PHE 84 CO 0.38 -0.28 1.32 -1.25 -1.46 0.00 0.00 175.22 173.92 3jwn s PRO 85 N 1.56 3.37 0.13 10.12 0.04 -1.26 0.28 135.00 149.24 3jwn s PRO 85 Ca -0.01 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 62.87 3jwn s PRO 85 Cb -0.13 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 31.98 3jwn s PRO 85 CO -0.03 -0.98 1.35 0.95 0.04 0.00 0.00 177.00 178.32 3jwn s THR 86 N -1.34 3.37 -1.88 1.26 -4.23 -0.59 -4.92 115.64 107.32 3jwn s THR 86 Ca 0.68 1.01 0.16 0.00 -1.18 0.00 0.00 61.69 62.36 3jwn s THR 86 Cb -0.38 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 69.98 3jwn s THR 86 CO 0.46 0.10 1.06 0.35 -0.54 0.00 0.00 174.62 176.05 3jwn n THR 87 N 3.64 0.16 -3.51 3.99 -2.24 -1.26 -1.08 114.28 113.98 3jwn n THR 87 Ca 0.10 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 3jwn n THR 87 Cb 0.43 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 3jwn n THR 87 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3jwn s SER 88 N -1.27 -0.46 0.47 3.42 1.04 -1.26 -4.94 113.70 110.70 3jwn s SER 88 Ca 0.21 -0.10 -0.23 0.00 0.48 0.00 0.00 55.95 56.31 3jwn s SER 88 Cb 0.14 0.56 -0.07 0.00 0.10 0.00 0.00 66.02 66.75 3jwn s SER 88 CO 0.20 -0.93 1.16 -0.70 0.98 0.00 0.00 173.24 173.95 3jwn s GLU 89 N -3.60 3.72 0.33 4.02 2.12 -1.26 -4.18 118.70 119.84 3jwn s GLU 89 Ca 0.04 1.77 -0.01 0.00 0.36 0.00 0.00 54.97 57.13 3jwn s GLU 89 Cb -0.02 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 3jwn s GLU 89 CO -0.09 -0.58 0.55 -0.08 -0.54 0.00 0.00 175.26 174.51 3jwn s THR 90 N -1.56 5.09 0.77 -1.70 -1.32 -0.69 -5.00 115.64 111.22 3jwn s THR 90 Ca 0.64 -0.32 -0.14 0.00 -1.21 0.00 0.00 61.69 60.67 3jwn s THR 90 Cb -0.28 -3.82 0.06 0.00 -1.51 0.00 0.00 72.50 66.95 3jwn s THR 90 CO 0.34 -0.49 1.19 -2.84 -2.21 0.00 0.00 174.62 170.61 3jwn s PRO 91 N -4.08 1.90 0.42 7.08 0.02 -1.26 -4.53 135.00 134.55 3jwn s PRO 91 Ca 0.41 1.69 -0.09 0.00 0.02 0.00 0.00 61.00 63.03 3jwn s PRO 91 Cb -0.10 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 3jwn s PRO 91 CO 0.35 -2.00 0.77 -0.98 -0.33 0.00 0.00 177.00 174.80 3jwn s ARG 92 N -4.11 3.72 -0.03 5.54 3.03 -1.26 -4.67 118.95 121.16 3jwn s ARG 92 Ca 0.72 0.40 0.01 0.00 2.03 0.00 0.00 55.73 58.89 3jwn s ARG 92 Cb -0.27 -2.39 -0.03 0.00 -1.03 0.00 0.00 34.95 31.22 3jwn s ARG 92 CO 0.49 -0.07 -0.01 0.08 -1.13 0.00 0.00 175.30 174.65 3jwn s VAL 93 N -2.45 4.12 -0.13 4.99 1.01 -0.47 -4.94 120.40 122.53 3jwn s VAL 93 Ca 0.50 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 3jwn s VAL 93 Cb -0.10 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3jwn s VAL 93 CO 0.34 0.47 0.11 0.68 0.00 0.00 0.00 175.10 176.71 3jwn s VAL 94 N -0.99 5.28 -0.30 2.92 -7.23 -1.26 -1.87 120.40 116.94 3jwn s VAL 94 Ca 0.17 0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.49 3jwn s VAL 94 Cb -0.11 -3.31 0.09 0.00 0.56 0.00 0.00 36.38 33.61 3jwn s VAL 94 CO 0.07 0.59 0.02 -0.31 -0.31 0.00 0.00 175.10 175.15 3jwn s TYR 95 N -0.75 3.05 -0.10 2.82 1.51 -0.39 -4.97 117.35 118.52 3jwn s TYR 95 Ca 0.13 -2.44 0.16 0.00 -1.01 0.00 0.00 57.07 53.92 3jwn s TYR 95 Cb -0.12 -2.30 0.37 0.00 -0.11 0.00 0.00 41.96 39.80 3jwn s TYR 95 CO 0.03 -0.89 1.17 0.27 -1.11 0.00 0.00 175.55 175.02 3jwn n ASN 96 N 4.47 1.36 -3.58 2.29 0.23 -1.26 -2.29 115.26 116.47 3jwn n ASN 96 Ca -0.03 -2.94 -0.16 0.00 -0.53 0.00 0.00 54.58 50.92 3jwn n ASN 96 Cb 0.42 -0.40 -0.07 0.00 -2.08 0.00 0.00 39.78 37.65 3jwn n ASN 96 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3jwn s SER 97 N -2.53 -0.58 0.39 0.53 0.15 -1.26 -4.80 113.70 105.59 3jwn s SER 97 Ca 0.32 0.72 0.19 0.00 0.70 0.00 0.00 55.95 57.88 3jwn s SER 97 Cb 0.33 0.64 0.78 0.00 -1.71 0.00 0.00 66.02 66.06 3jwn s SER 97 CO -0.09 -0.51 1.78 0.03 1.20 0.00 0.00 173.24 175.65 3jwn h ARG 98 N 3.52 0.00 -6.55 5.44 3.08 -1.90 0.15 114.38 118.12 3jwn h ARG 98 Ca -0.28 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.24 3jwn h ARG 98 Cb 1.15 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.25 3jwn h ARG 98 CO 0.34 0.34 1.04 2.41 -1.07 0.00 0.00 179.97 183.03 3jwn n THR 99 N -3.59 0.20 -1.91 2.04 -1.04 -1.26 -4.59 114.28 104.13 3jwn n THR 99 Ca -0.01 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 3jwn n THR 99 Cb 0.47 -2.00 -0.02 0.00 -1.82 0.00 0.00 70.33 66.96 3jwn n THR 99 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3jwn s ASP 100 N 2.03 6.51 0.05 8.00 1.01 -1.26 -4.60 116.67 128.41 3jwn s ASP 100 Ca 0.80 2.84 0.02 0.00 0.71 0.00 0.00 52.55 56.91 3jwn s ASP 100 Cb -0.52 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 40.74 3jwn s ASP 100 CO 0.36 -0.79 -0.07 -1.59 0.21 0.00 0.00 175.17 173.29 3jwn s LYS 101 N -0.92 0.57 0.57 8.23 -2.85 -0.44 -4.91 119.74 119.98 3jwn s LYS 101 Ca 0.58 -0.84 -0.19 0.00 -1.00 0.00 0.00 55.97 54.52 3jwn s LYS 101 Cb -0.44 -0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 35.00 3jwn s LYS 101 CO 0.50 0.03 0.76 -2.30 0.10 0.00 0.00 175.35 174.45 3jwn n PRO 102 N 1.23 0.75 -2.76 1.78 -0.02 -1.26 -1.16 135.00 133.56 3jwn n PRO 102 Ca -0.21 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 3jwn n PRO 102 Cb 0.56 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 3jwn n PRO 102 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3jwn s TRP 103 N -1.58 2.82 -1.45 6.00 -0.00 -0.15 -4.73 118.94 119.85 3jwn s TRP 103 Ca 0.71 0.32 -0.13 0.00 -0.00 0.00 0.00 56.10 57.01 3jwn s TRP 103 Cb -0.45 -4.15 0.05 0.00 -0.00 0.00 0.00 33.47 28.92 3jwn s TRP 103 CO 0.51 -1.27 2.25 -0.35 -0.00 0.00 0.00 176.95 178.10 3jwn n PRO 104 N 7.54 3.06 -4.71 5.86 -0.04 -1.26 -3.24 135.00 142.21 3jwn n PRO 104 Ca 0.06 -2.70 -0.27 0.00 -0.04 0.00 0.00 63.50 60.56 3jwn n PRO 104 Cb 0.48 -3.18 -0.14 0.00 -0.04 0.00 0.00 33.50 30.62 3jwn n PRO 104 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3jwn s VAL 105 N 2.66 1.76 -0.17 0.52 1.01 -1.25 -0.29 120.40 124.64 3jwn s VAL 105 Ca 0.48 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 3jwn s VAL 105 Cb 0.14 -1.53 0.07 0.00 0.00 0.00 0.00 36.38 35.06 3jwn s VAL 105 CO -0.07 0.25 0.37 0.00 0.00 0.00 0.00 175.10 175.65 3jwn s ALA 106 N -0.79 -0.96 0.02 5.51 0.00 -0.76 -1.59 121.76 123.19 3jwn s ALA 106 Ca 0.08 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 3jwn s ALA 106 Cb -0.09 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 3jwn s ALA 106 CO 0.02 -0.53 0.42 -0.51 0.00 0.00 0.00 175.76 175.15 3jwn s LEU 107 N 2.08 4.46 0.24 0.00 1.43 -0.28 -0.33 118.68 126.28 3jwn s LEU 107 Ca -0.04 0.96 0.04 0.00 -1.03 0.00 0.00 54.13 54.05 3jwn s LEU 107 Cb -0.11 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 3jwn s LEU 107 CO -0.12 0.29 -0.01 -0.31 0.23 0.00 0.00 176.35 176.43 3jwn s TYR 108 N -1.14 1.64 -0.01 0.29 1.51 -0.00 -1.67 117.35 117.97 3jwn s TYR 108 Ca 0.26 -0.88 0.03 0.00 -1.01 0.00 0.00 57.07 55.47 3jwn s TYR 108 Cb -0.16 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 3jwn s TYR 108 CO 0.14 0.03 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.34 3jwn s LEU 109 N -3.34 2.02 -0.24 -1.29 0.20 0.47 -3.00 118.68 113.52 3jwn s LEU 109 Ca 0.29 -0.19 -0.27 0.00 0.69 0.00 0.00 54.13 54.65 3jwn s LEU 109 Cb 0.05 -0.52 0.00 0.00 -0.43 0.00 0.00 46.19 45.30 3jwn s LEU 109 CO 0.09 0.12 0.95 -0.89 -0.29 0.00 0.00 176.35 176.34 3jwn s THR 110 N -0.25 4.74 0.28 3.68 2.01 0.53 -1.14 115.64 125.50 3jwn s THR 110 Ca 0.04 1.84 -0.30 0.00 0.31 0.00 0.00 61.69 63.58 3jwn s THR 110 Cb -0.04 -4.23 -0.13 0.00 0.01 0.00 0.00 72.50 68.11 3jwn s THR 110 CO -0.00 -0.14 1.36 -2.65 -0.69 0.00 0.00 174.62 172.50 3jwn n PRO 111 N 6.19 2.10 0.00 4.92 -0.02 -1.26 -4.83 135.00 142.09 3jwn n PRO 111 Ca 0.09 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3jwn n PRO 111 Cb 0.47 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3jwn n PRO 111 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3jwn n VAL 112 N 1.27 0.13 -3.15 -1.45 0.24 0.18 -4.95 118.33 110.60 3jwn n VAL 112 Ca 0.09 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3jwn n VAL 112 Cb 0.34 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 3jwn n VAL 112 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3jwn n SER 113 N -0.06 0.19 -0.07 -1.34 3.41 -0.69 -4.98 113.62 110.07 3jwn n SER 113 Ca 0.00 -0.15 -0.15 0.00 -0.26 0.00 0.00 58.87 58.32 3jwn n SER 113 Cb 0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3jwn n SER 113 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3jwn n SER 114 N -0.41 0.97 -0.66 4.04 7.64 -1.26 -3.54 113.62 120.40 3jwn n SER 114 Ca 0.00 0.17 0.02 0.00 1.01 0.00 0.00 58.87 60.07 3jwn n SER 114 Cb 0.00 -0.41 0.03 0.00 -1.01 0.00 0.00 64.21 62.83 3jwn n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jwn n ALA 115 N -3.62 2.18 -0.71 -0.43 0.00 -1.26 -0.04 120.51 116.63 3jwn n ALA 115 Ca -0.27 -1.59 -0.29 0.00 0.00 0.00 0.00 53.44 51.29 3jwn n ALA 115 Cb 0.69 -0.53 0.21 0.00 0.00 0.00 0.00 19.45 19.82 3jwn n ALA 115 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3jwn s GLY 116 N -1.55 1.59 0.22 0.00 0.00 -1.26 -4.86 107.32 101.46 3jwn s GLY 116 Ca 0.13 0.03 -0.16 0.00 0.00 0.00 0.00 44.72 44.72 3jwn s GLY 116 CO -0.04 0.64 0.51 -0.32 0.00 0.00 0.00 173.10 173.90 3jwn s GLY 117 N -2.74 0.16 -0.03 0.20 0.00 -1.26 -1.51 107.32 102.13 3jwn s GLY 117 Ca 0.67 -0.50 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 3jwn s GLY 117 CO 0.62 -0.41 0.02 0.14 0.00 0.00 0.00 173.10 173.47 3jwn s VAL 118 N -3.93 0.06 -0.12 1.40 1.01 -0.42 -4.89 120.40 113.50 3jwn s VAL 118 Ca 0.14 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 3jwn s VAL 118 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 3jwn s VAL 118 CO 0.02 0.15 0.94 0.00 0.00 0.00 0.00 175.10 176.21 3jwn s ALA 119 N 1.42 3.43 -0.30 5.51 0.00 -1.26 -0.95 121.76 129.61 3jwn s ALA 119 Ca -0.04 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 3jwn s ALA 119 Cb -0.13 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3jwn s ALA 119 CO -0.03 -0.59 0.03 0.42 0.00 0.00 0.00 175.76 175.59 3jwn s ILE 120 N 1.98 3.39 0.25 0.00 -1.09 0.12 -4.98 121.20 120.88 3jwn s ILE 120 Ca 0.45 -1.07 -0.21 0.00 -2.23 0.00 0.00 60.65 57.59 3jwn s ILE 120 Cb -0.18 -2.84 -0.09 0.00 -1.58 0.00 0.00 42.46 37.78 3jwn s ILE 120 CO 0.16 -0.01 0.78 -1.59 -1.23 0.00 0.00 174.94 173.05 3jwn s LYS 121 N 1.37 4.30 0.62 2.79 -2.85 -1.26 -0.43 119.74 124.27 3jwn s LYS 121 Ca -0.01 0.95 -0.18 0.00 -1.00 0.00 0.00 55.97 55.74 3jwn s LYS 121 Cb -0.18 -2.81 -0.05 0.00 -2.06 0.00 0.00 37.83 32.72 3jwn s LYS 121 CO -0.00 0.34 0.82 0.00 0.10 0.00 0.00 175.35 176.61 3jwn n ALA 122 N 0.58 -0.34 -0.45 0.59 0.00 -1.26 -3.10 120.51 116.54 3jwn n ALA 122 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3jwn n ALA 122 Cb 0.51 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3jwn n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jwn n GLY 123 N 1.43 0.94 3.74 0.00 0.00 0.13 -4.92 105.19 106.51 3jwn n GLY 123 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3jwn n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwn s SER 124 N -3.02 4.67 0.13 1.61 1.04 -1.18 -4.90 113.70 112.05 3jwn s SER 124 Ca 0.00 -0.81 -0.29 0.00 0.48 0.00 0.00 55.95 55.33 3jwn s SER 124 Cb 0.00 -0.69 -0.06 0.00 0.10 0.00 0.00 66.02 65.37 3jwn s SER 124 CO 0.00 -0.34 0.93 -0.22 0.98 0.00 0.00 173.24 174.58 3jwn s LEU 125 N -3.87 4.53 -0.20 2.42 2.96 -1.26 -1.59 118.68 121.67 3jwn s LEU 125 Ca 0.39 1.78 -0.10 0.00 -0.22 0.00 0.00 54.13 55.98 3jwn s LEU 125 Cb -0.02 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 3jwn s LEU 125 CO 0.23 -0.00 -0.26 -0.38 -1.32 0.00 0.00 176.35 174.62 3jwn n ILE 126 N 2.48 1.09 -3.64 6.68 5.41 0.68 -4.35 119.36 127.72 3jwn n ILE 126 Ca 0.01 -0.28 -0.13 0.00 1.00 0.00 0.00 62.75 63.34 3jwn n ILE 126 Cb 0.49 -1.77 -0.06 0.00 -0.71 0.00 0.00 39.64 37.59 3jwn n ILE 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3jwn s ALA 127 N -2.36 -1.12 -0.24 -1.39 0.00 -1.19 -0.47 121.76 115.00 3jwn s ALA 127 Ca -0.28 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 3jwn s ALA 127 Cb 0.11 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3jwn s ALA 127 CO 0.35 -0.44 -0.03 0.08 0.00 0.00 0.00 175.76 175.71 3jwn s VAL 128 N -2.27 3.34 -0.22 0.00 1.01 0.35 -0.85 120.40 121.74 3jwn s VAL 128 Ca -0.06 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3jwn s VAL 128 Cb -0.01 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3jwn s VAL 128 CO -0.01 0.33 -0.09 -0.76 0.00 0.00 0.00 175.10 174.58 3jwn s LEU 129 N 1.45 2.86 -0.21 3.92 1.43 -0.50 -1.49 118.68 126.15 3jwn s LEU 129 Ca 0.04 -0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 52.27 3jwn s LEU 129 Cb -0.15 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3jwn s LEU 129 CO -0.03 -0.07 0.60 -0.63 0.23 0.00 0.00 176.35 176.46 3jwn s ILE 130 N 1.37 5.04 -0.00 -0.59 1.01 -1.26 -0.84 121.20 125.92 3jwn s ILE 130 Ca 0.03 1.12 0.04 0.00 0.00 0.00 0.00 60.65 61.84 3jwn s ILE 130 Cb -0.15 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3jwn s ILE 130 CO -0.06 0.11 -0.13 -0.76 0.00 0.00 0.00 174.94 174.11 3jwn s LEU 131 N 1.94 2.86 -0.08 2.97 1.02 -0.21 -0.78 118.68 126.40 3jwn s LEU 131 Ca 0.27 -0.24 0.04 0.00 0.02 0.00 0.00 54.13 54.22 3jwn s LEU 131 Cb -0.16 -1.64 -0.00 0.00 0.02 0.00 0.00 46.19 44.41 3jwn s LEU 131 CO 0.10 0.30 -0.23 -0.60 0.02 0.00 0.00 176.35 175.94 3jwn s ARG 132 N -1.19 2.72 -0.08 1.70 3.52 -0.36 -1.60 118.95 123.66 3jwn s ARG 132 Ca 0.14 -0.83 0.05 0.00 -0.13 0.00 0.00 55.73 54.97 3jwn s ARG 132 Cb -0.11 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.14 3jwn s ARG 132 CO 0.04 0.22 -0.24 -1.14 -0.81 0.00 0.00 175.30 173.38 3jwn s GLN 133 N 0.22 2.79 0.14 5.12 0.74 -0.02 -0.55 119.66 128.09 3jwn s GLN 133 Ca -0.14 -0.88 -0.00 0.00 0.05 0.00 0.00 55.36 54.39 3jwn s GLN 133 Cb -0.16 -2.24 -0.04 0.00 1.10 0.00 0.00 33.01 31.66 3jwn s GLN 133 CO 0.07 0.30 0.04 0.95 -0.55 0.00 0.00 175.29 176.09 3jwn s THR 134 N 0.05 0.25 0.31 -0.34 -4.23 0.02 -2.08 115.64 109.63 3jwn s THR 134 Ca -0.10 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3jwn s THR 134 Cb -0.16 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 3jwn s THR 134 CO 0.06 -0.49 0.11 0.54 -0.54 0.00 0.00 174.62 174.30 3jwn s ASN 135 N -3.07 1.83 -0.26 3.99 2.20 -1.26 0.51 114.94 118.87 3jwn s ASN 135 Ca 0.23 -1.49 0.12 0.00 -0.94 0.00 0.00 52.86 50.78 3jwn s ASN 135 Cb 0.07 0.24 0.77 0.00 -2.00 0.00 0.00 41.25 40.34 3jwn s ASN 135 CO 0.02 -0.79 1.73 -0.46 -2.94 0.00 0.00 177.10 174.66 3jwn n ASN 136 N -0.81 5.30 -0.03 3.54 6.94 -0.83 -4.41 115.26 124.97 3jwn n ASN 136 Ca -0.01 -3.00 -0.05 0.00 -0.02 0.00 0.00 54.58 51.50 3jwn n ASN 136 Cb 0.66 -0.70 -0.02 0.00 -2.36 0.00 0.00 39.78 37.35 3jwn n ASN 136 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3jwn n TYR 137 N 0.34 0.00 -4.40 -2.53 9.36 -1.26 -4.91 117.16 113.76 3jwn n TYR 137 Ca 0.32 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.35 3jwn n TYR 137 Cb 1.24 -0.20 -0.05 0.00 -0.63 0.00 0.00 39.34 39.71 3jwn n TYR 137 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3jwn n ASN 138 N -2.93 1.93 -1.48 2.98 0.23 -1.26 -5.06 115.26 109.67 3jwn n ASN 138 Ca -0.10 -2.43 0.05 0.00 -0.53 0.00 0.00 54.58 51.58 3jwn n ASN 138 Cb 0.59 0.48 0.33 0.00 -2.08 0.00 0.00 39.78 39.09 3jwn n ASN 138 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3jwn n SER 139 N -1.48 4.76 -4.77 0.53 3.41 -1.26 -4.53 113.62 110.27 3jwn n SER 139 Ca -0.08 -3.05 -0.37 0.00 -0.26 0.00 0.00 58.87 55.11 3jwn n SER 139 Cb 0.41 -0.64 -0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3jwn n SER 139 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3jwn s ASP 140 N -1.36 6.06 -0.09 4.04 -0.00 -1.26 -5.04 116.67 119.03 3jwn s ASP 140 Ca 0.49 2.34 -0.06 0.00 -0.00 0.00 0.00 52.55 55.33 3jwn s ASP 140 Cb 0.39 -2.60 0.04 0.00 -0.00 0.00 0.00 42.92 40.74 3jwn s ASP 140 CO 0.12 -0.99 0.22 1.51 -0.00 0.00 0.00 175.17 176.02 3jwn s ASP 141 N -1.35 -0.22 0.15 0.27 3.84 -1.26 -4.23 116.67 113.88 3jwn s ASP 141 Ca 0.65 0.45 0.05 0.00 -0.00 0.00 0.00 52.55 53.70 3jwn s ASP 141 Cb -0.29 0.38 -0.04 0.00 -1.38 0.00 0.00 42.92 41.58 3jwn s ASP 141 CO 0.35 -0.13 -0.12 0.72 -0.00 0.00 0.00 175.17 175.99 3jwn s PHE 142 N 0.84 1.39 0.08 2.11 -0.12 -0.88 -4.96 117.98 116.43 3jwn s PHE 142 Ca -0.06 -0.67 0.09 0.00 -0.05 0.00 0.00 56.93 56.24 3jwn s PHE 142 Cb -0.07 -0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 41.59 3jwn s PHE 142 CO -0.05 0.16 -0.22 -0.65 -0.05 0.00 0.00 175.22 174.40 3jwn s GLN 143 N -3.44 1.79 0.06 1.99 -0.21 -1.26 -0.84 119.66 117.75 3jwn s GLN 143 Ca 0.16 -1.14 -0.12 0.00 0.02 0.00 0.00 55.36 54.28 3jwn s GLN 143 Cb -0.00 -2.05 0.01 0.00 1.00 0.00 0.00 33.01 31.97 3jwn s GLN 143 CO 0.02 0.50 0.27 -0.59 -2.12 0.00 0.00 175.29 173.37 3jwn s PHE 144 N -0.96 -0.03 -0.09 0.91 -0.12 -0.63 -4.41 117.98 112.65 3jwn s PHE 144 Ca 0.14 -0.21 -0.02 0.00 -0.05 0.00 0.00 56.93 56.80 3jwn s PHE 144 Cb -0.10 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.31 3jwn s PHE 144 CO 0.05 -0.52 -0.02 0.08 -0.05 0.00 0.00 175.22 174.77 3jwn s VAL 145 N -2.97 4.13 -0.31 -2.49 1.01 -0.59 -1.04 120.40 118.14 3jwn s VAL 145 Ca -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 3jwn s VAL 145 Cb 0.01 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.68 3jwn s VAL 145 CO -0.06 0.59 0.06 0.26 0.00 0.00 0.00 175.10 175.95 3jwn s TRP 146 N -0.70 3.21 -0.39 5.22 0.51 -0.02 -1.37 118.94 125.40 3jwn s TRP 146 Ca 0.11 -1.43 -0.25 0.00 -2.12 0.00 0.00 56.10 52.41 3jwn s TRP 146 Cb -0.12 -2.21 0.02 0.00 -0.81 0.00 0.00 33.47 30.35 3jwn s TRP 146 CO 0.02 -0.71 0.88 -0.80 -0.51 0.00 0.00 176.95 175.83 3jwn s ASN 147 N 1.39 6.59 -0.40 2.95 0.02 -0.13 -1.41 114.94 123.95 3jwn s ASN 147 Ca -0.01 0.38 -0.24 0.00 -1.02 0.00 0.00 52.86 51.96 3jwn s ASN 147 Cb -0.19 -2.44 0.02 0.00 0.02 0.00 0.00 41.25 38.66 3jwn s ASN 147 CO 0.01 -0.88 0.85 -0.63 0.02 0.00 0.00 177.10 176.47 3jwn s ILE 148 N 3.45 4.62 -0.13 0.60 -1.09 -0.03 -0.18 121.20 128.44 3jwn s ILE 148 Ca 0.36 0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 59.57 3jwn s ILE 148 Cb -0.12 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 3jwn s ILE 148 CO 0.20 -0.61 0.03 -0.31 -1.23 0.00 0.00 174.94 173.03 3jwn s TYR 149 N 3.38 3.22 0.21 3.97 1.51 0.16 -0.23 117.35 129.57 3jwn s TYR 149 Ca 0.34 0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 56.23 3jwn s TYR 149 Cb -0.12 -1.91 -0.08 0.00 -0.11 0.00 0.00 41.96 39.73 3jwn s TYR 149 CO 0.21 0.34 1.17 0.00 -1.11 0.00 0.00 175.55 176.16 3jwn s ALA 150 N -0.37 3.43 -0.25 3.71 0.00 -0.62 -1.25 121.76 126.41 3jwn s ALA 150 Ca 0.08 0.94 0.11 0.00 0.00 0.00 0.00 51.96 53.09 3jwn s ALA 150 Cb -0.12 -3.39 0.47 0.00 0.00 0.00 0.00 23.12 20.08 3jwn s ALA 150 CO 0.02 -0.32 1.38 0.27 0.00 0.00 0.00 175.76 177.10 3jwn n ASN 151 N 2.12 2.36 -3.65 0.00 0.23 -0.70 0.23 115.26 115.85 3jwn n ASN 151 Ca 0.03 -3.72 -0.14 0.00 -0.53 0.00 0.00 54.58 50.22 3jwn n ASN 151 Cb 0.45 -0.59 -0.08 0.00 -2.08 0.00 0.00 39.78 37.48 3jwn n ASN 151 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3jwn s ASN 152 N -2.71 -0.67 0.25 0.53 4.22 -1.26 -4.86 114.94 110.45 3jwn s ASN 152 Ca 0.42 1.26 -0.30 0.00 -2.14 0.00 0.00 52.86 52.09 3jwn s ASN 152 Cb 0.38 1.27 -0.10 0.00 1.28 0.00 0.00 41.25 44.08 3jwn s ASN 152 CO -0.01 -0.25 1.50 -1.81 -2.04 0.00 0.00 177.10 174.48 3jwn s ASP 153 N 0.23 6.57 0.01 3.54 1.11 -1.26 -3.99 116.67 122.89 3jwn s ASP 153 Ca -0.01 2.73 -0.15 0.00 0.18 0.00 0.00 52.55 55.30 3jwn s ASP 153 Cb -0.04 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.35 3jwn s ASP 153 CO 0.01 -0.77 0.33 -0.69 1.18 0.00 0.00 175.17 175.23 3jwn s VAL 154 N 0.14 0.07 -0.28 -1.27 1.01 0.42 -4.94 120.40 115.56 3jwn s VAL 154 Ca 0.62 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3jwn s VAL 154 Cb -0.44 -0.79 0.06 0.00 0.00 0.00 0.00 36.38 35.22 3jwn s VAL 154 CO 0.43 -0.30 -0.07 -0.69 0.00 0.00 0.00 175.10 174.47 3jwn s VAL 155 N -1.92 2.34 -0.17 2.92 1.01 -1.26 0.15 120.40 123.47 3jwn s VAL 155 Ca -0.09 -1.67 -0.29 0.00 0.00 0.00 0.00 61.98 59.93 3jwn s VAL 155 Cb -0.03 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3jwn s VAL 155 CO 0.01 -0.11 1.14 -0.69 0.00 0.00 0.00 175.10 175.45 3jwn s VAL 156 N 1.11 4.50 0.43 2.92 1.01 -0.13 -4.80 120.40 125.44 3jwn s VAL 156 Ca -0.06 1.80 -0.24 0.00 0.00 0.00 0.00 61.98 63.48 3jwn s VAL 156 Cb -0.20 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 31.94 3jwn s VAL 156 CO -0.05 -0.12 1.21 -2.84 0.00 0.00 0.00 175.10 173.30 3jwn s PRO 157 N 3.07 3.86 0.00 2.72 0.02 -1.26 -1.30 135.00 142.10 3jwn s PRO 157 Ca 0.50 1.91 0.03 0.00 0.02 0.00 0.00 61.00 63.45 3jwn s PRO 157 Cb -0.19 -2.56 -0.01 0.00 0.02 0.00 0.00 34.50 31.77 3jwn s PRO 157 CO 0.12 -0.51 0.30 2.41 -0.33 0.00 0.00 177.00 179.00 3jwn n THR 158 N -0.21 0.00 -3.17 0.99 -1.04 -0.57 -4.92 114.28 105.37 3jwn n THR 158 Ca 0.06 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 3jwn n THR 158 Cb 0.46 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 3jwn n THR 158 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3jwn n GLY 159 N 0.69 6.51 0.11 3.41 0.00 -1.26 0.47 105.19 115.12 3jwn n GLY 159 Ca 0.01 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.29 3jwn n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwn n GLY 160 N 3.35 -0.94 3.24 -0.02 0.00 -0.96 -4.81 105.19 105.06 3jwn n GLY 160 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 3jwn n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s ASP 162 N -2.77 1.45 0.13 0.00 3.68 0.20 -4.13 116.67 115.23 3jwn s ASP 162 Ca 0.12 -1.36 0.09 0.00 2.13 0.00 0.00 52.55 53.53 3jwn s ASP 162 Cb -0.01 0.11 -0.04 0.00 -1.45 0.00 0.00 42.92 41.52 3jwn s ASP 162 CO 0.02 -0.69 -0.22 0.68 0.13 0.00 0.00 175.17 175.09 3jwn s VAL 163 N -3.65 1.94 0.40 1.11 -7.23 -1.26 -1.88 120.40 109.83 3jwn s VAL 163 Ca 0.36 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 58.88 3jwn s VAL 163 Cb 0.08 -1.79 0.29 0.00 0.56 0.00 0.00 36.38 35.52 3jwn s VAL 163 CO 0.13 -0.09 2.01 0.77 -0.31 0.00 0.00 175.10 177.61 3jwn h SER 164 N 3.75 0.53 -5.01 4.85 4.64 -1.61 -3.44 113.55 117.26 3jwn h SER 164 Ca -0.46 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 3jwn h SER 164 Cb 1.19 -0.12 -0.14 0.00 -0.31 0.00 0.00 62.40 63.01 3jwn h SER 164 CO 0.43 0.36 0.17 0.00 -0.87 0.00 0.00 176.83 176.92 3jwn s ALA 165 N -5.55 -1.58 -0.71 5.18 0.00 -1.26 -5.03 121.76 112.81 3jwn s ALA 165 Ca -0.09 0.69 0.20 0.00 0.00 0.00 0.00 51.96 52.76 3jwn s ALA 165 Cb 0.18 0.60 -0.24 0.00 0.00 0.00 0.00 23.12 23.66 3jwn s ALA 165 CO 0.75 -0.63 0.74 0.54 0.00 0.00 0.00 175.76 177.16 3jwn n ARG 166 N 0.05 0.54 -4.03 0.00 1.74 -1.26 -4.84 116.66 108.85 3jwn n ARG 166 Ca -0.18 -0.05 -0.19 0.00 -0.77 0.00 0.00 57.85 56.66 3jwn n ARG 166 Cb 0.62 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 3jwn n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3jwn s ASP 167 N -3.21 0.88 -0.10 0.55 1.01 -1.26 -5.10 116.67 109.43 3jwn s ASP 167 Ca 0.04 -0.09 -0.02 0.00 0.71 0.00 0.00 52.55 53.19 3jwn s ASP 167 Cb 0.14 -0.38 0.04 0.00 1.01 0.00 0.00 42.92 43.73 3jwn s ASP 167 CO 0.81 -0.09 0.01 -0.69 0.21 0.00 0.00 175.17 175.43 3jwn s VAL 168 N 1.10 0.40 -0.08 -1.27 1.01 -1.26 -5.13 120.40 115.17 3jwn s VAL 168 Ca -0.08 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3jwn s VAL 168 Cb -0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3jwn s VAL 168 CO -0.01 0.15 0.34 -0.89 0.00 0.00 0.00 175.10 174.68 3jwn s THR 169 N 1.95 5.20 0.01 3.92 2.01 -1.26 -5.10 115.64 122.38 3jwn s THR 169 Ca 0.04 0.66 0.03 0.00 0.31 0.00 0.00 61.69 62.72 3jwn s THR 169 Cb -0.13 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 3jwn s THR 169 CO -0.06 0.51 -0.09 0.54 -0.69 0.00 0.00 174.62 174.83 3jwn s VAL 170 N -0.46 0.67 -0.22 3.82 0.11 -1.26 -5.05 120.40 118.02 3jwn s VAL 170 Ca 0.20 -0.60 -0.00 0.00 -2.93 0.00 0.00 61.98 58.65 3jwn s VAL 170 Cb -0.15 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 3jwn s VAL 170 CO 0.09 0.02 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.87 3jwn s THR 171 N -0.55 2.51 0.70 5.04 2.01 -1.26 -5.12 115.64 118.97 3jwn s THR 171 Ca -0.00 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 60.86 3jwn s THR 171 Cb -0.05 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.28 3jwn s THR 171 CO 0.00 0.34 1.10 -0.76 -0.69 0.00 0.00 174.62 174.61 3jwn s LEU 172 N 1.30 3.24 0.96 4.42 1.43 -1.26 -4.81 118.68 123.96 3jwn s LEU 172 Ca 0.02 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 3jwn s LEU 172 Cb -0.15 -4.54 0.17 0.00 0.03 0.00 0.00 46.19 41.70 3jwn s LEU 172 CO -0.08 -1.77 1.12 -2.16 0.23 0.00 0.00 176.35 173.68 3jwn s PRO 173 N -4.46 0.73 0.00 1.29 0.04 -1.26 -4.90 135.00 126.44 3jwn s PRO 173 Ca 0.64 0.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 3jwn s PRO 173 Cb -0.19 -1.78 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 3jwn s PRO 173 CO 0.48 -2.50 2.82 -0.25 0.04 0.00 0.00 177.00 177.59 3jwn n ASP 174 N -3.99 4.37 -0.93 6.66 10.43 -1.26 -4.55 116.55 127.28 3jwn n ASP 174 Ca 0.06 -2.29 0.00 0.00 2.57 0.00 0.00 54.79 55.13 3jwn n ASP 174 Cb 0.58 -1.13 0.00 0.00 1.84 0.00 0.00 41.12 42.41 3jwn n ASP 174 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3jwn n TYR 175 N 2.39 -2.49 -1.16 1.24 9.36 -1.26 -4.89 117.16 120.35 3jwn n TYR 175 Ca 0.29 1.32 -0.28 0.00 3.32 0.00 0.00 57.90 62.54 3jwn n TYR 175 Cb 0.70 -2.51 0.10 0.00 -0.63 0.00 0.00 39.34 37.00 3jwn n TYR 175 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3jwn n PRO 176 N -0.54 2.38 0.00 2.98 -0.04 -1.26 -5.11 135.00 133.40 3jwn n PRO 176 Ca 0.00 -2.85 0.00 0.00 -0.04 0.00 0.00 63.50 60.61 3jwn n PRO 176 Cb 0.00 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 3jwn n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3jwn n GLY 177 N -0.76 -1.13 3.33 0.55 0.00 -1.26 -4.75 105.19 101.17 3jwn n GLY 177 Ca 0.55 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 3jwn n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwn s SER 178 N -1.12 -0.02 -0.01 1.61 1.04 -1.26 -4.08 113.70 109.86 3jwn s SER 178 Ca 0.00 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 3jwn s SER 178 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3jwn s SER 178 CO 0.00 -0.87 0.03 0.68 0.98 0.00 0.00 173.24 174.05 3jwn s VAL 179 N -3.91 -0.00 0.25 5.02 -7.23 -1.04 -4.57 120.40 108.92 3jwn s VAL 179 Ca 0.11 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 3jwn s VAL 179 Cb 0.03 -0.05 -0.09 0.00 0.56 0.00 0.00 36.38 36.83 3jwn s VAL 179 CO -0.05 0.00 1.03 -2.16 -0.31 0.00 0.00 175.10 173.62 3jwn s PRO 180 N 0.05 4.73 -0.23 4.82 0.04 -1.26 -0.82 135.00 142.32 3jwn s PRO 180 Ca -0.00 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 3jwn s PRO 180 Cb -0.01 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 3jwn s PRO 180 CO -0.00 0.33 0.58 0.42 0.04 0.00 0.00 177.00 178.37 3jwn s ILE 181 N -1.06 5.03 -0.72 0.56 1.01 0.22 -4.90 121.20 121.34 3jwn s ILE 181 Ca 0.43 1.05 -0.25 0.00 0.00 0.00 0.00 60.65 61.89 3jwn s ILE 181 Cb -0.29 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.34 3jwn s ILE 181 CO 0.37 0.09 1.15 -2.16 0.00 0.00 0.00 174.94 174.39 3jwn s PRO 182 N 2.17 3.18 -0.22 2.79 0.04 -1.26 -4.47 135.00 137.23 3jwn s PRO 182 Ca 0.25 -0.55 -0.04 0.00 0.04 0.00 0.00 61.00 60.69 3jwn s PRO 182 Cb -0.16 -4.27 0.12 0.00 0.04 0.00 0.00 34.50 30.23 3jwn s PRO 182 CO 0.09 -2.01 0.39 -1.17 0.04 0.00 0.00 177.00 174.35 3jwn s LEU 183 N 4.95 -0.64 0.21 -3.56 0.20 -1.26 -4.93 118.68 113.65 3jwn s LEU 183 Ca 0.30 0.56 0.11 0.00 0.69 0.00 0.00 54.13 55.80 3jwn s LEU 183 Cb -0.11 1.22 -0.05 0.00 -0.43 0.00 0.00 46.19 46.82 3jwn s LEU 183 CO 0.11 -0.27 -0.23 0.42 -0.29 0.00 0.00 176.35 176.10 3jwn s THR 184 N 2.58 2.35 -0.01 3.68 -4.23 -1.26 -2.15 115.64 116.59 3jwn s THR 184 Ca 0.07 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 3jwn s THR 184 Cb -0.14 -2.15 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 3jwn s THR 184 CO -0.14 -0.21 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.95 3jwn s VAL 185 N -1.93 0.69 0.08 2.29 1.01 -0.03 -1.36 120.40 121.17 3jwn s VAL 185 Ca 0.23 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3jwn s VAL 185 Cb -0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3jwn s VAL 185 CO 0.11 0.20 -0.08 -0.72 0.00 0.00 0.00 175.10 174.61 3jwn s TYR 186 N -0.12 0.90 0.03 5.22 -0.85 -0.79 -1.00 117.35 120.74 3jwn s TYR 186 Ca 0.02 -0.72 0.07 0.00 -0.52 0.00 0.00 57.07 55.92 3jwn s TYR 186 Cb -0.04 -0.51 -0.02 0.00 0.38 0.00 0.00 41.96 41.76 3jwn s TYR 186 CO -0.00 -0.08 -0.21 0.00 -1.52 0.00 0.00 175.55 173.74 3jwn h ALA 188 N 5.04 1.62 -2.96 0.00 0.00 -1.68 -2.70 119.26 118.57 3jwn h ALA 188 Ca -0.42 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.07 3jwn h ALA 188 Cb 1.15 -0.23 -0.19 0.00 0.00 0.00 0.00 17.79 18.53 3jwn h ALA 188 CO 0.45 0.30 -0.76 0.21 0.00 0.00 0.00 179.25 179.45 3jwn s LYS 189 N -5.73 0.92 -0.06 0.00 2.20 -1.26 -4.72 119.74 111.10 3jwn s LYS 189 Ca -0.10 -1.15 -0.31 0.00 -0.36 0.00 0.00 55.97 54.05 3jwn s LYS 189 Cb 0.19 -0.78 -0.09 0.00 -1.51 0.00 0.00 37.83 35.64 3jwn s LYS 189 CO 0.77 0.15 2.00 0.45 -0.36 0.00 0.00 175.35 178.37 3jwn n SER 190 N 0.71 3.72 -4.48 1.43 2.88 -1.26 -4.75 113.62 111.87 3jwn n SER 190 Ca -0.17 0.78 -0.23 0.00 -1.33 0.00 0.00 58.87 57.91 3jwn n SER 190 Cb 0.57 -1.48 -0.10 0.00 -0.75 0.00 0.00 64.21 62.45 3jwn n SER 190 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3jwn s GLN 191 N 4.78 1.67 -0.88 -1.46 -1.52 -0.71 -4.94 119.66 116.60 3jwn s GLN 191 Ca 0.93 -1.84 -0.14 0.00 -1.95 0.00 0.00 55.36 52.36 3jwn s GLN 191 Cb -0.51 -1.47 0.21 0.00 -0.22 0.00 0.00 33.01 31.02 3jwn s GLN 191 CO 0.44 0.13 0.86 -0.80 -0.25 0.00 0.00 175.29 175.67 3jwn s ASN 192 N -3.51 6.81 0.45 5.90 0.01 -1.26 -0.83 114.94 122.50 3jwn s ASN 192 Ca 0.30 -2.71 -0.07 0.00 -0.71 0.00 0.00 52.86 49.68 3jwn s ASN 192 Cb 0.02 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 3jwn s ASN 192 CO 0.14 -0.61 0.78 -0.76 -1.51 0.00 0.00 177.10 175.14 3jwn s LEU 193 N 0.36 3.70 -0.03 0.60 1.43 0.25 0.07 118.68 125.07 3jwn s LEU 193 Ca 0.21 1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 3jwn s LEU 193 Cb -0.09 -3.92 0.09 0.00 0.03 0.00 0.00 46.19 42.29 3jwn s LEU 193 CO -0.09 -0.51 0.77 -0.83 0.23 0.00 0.00 176.35 175.91 3jwn s GLY 194 N -3.77 -0.50 0.09 -3.19 0.00 -0.09 -2.40 107.32 97.45 3jwn s GLY 194 Ca 0.49 1.28 0.04 0.00 0.00 0.00 0.00 44.72 46.52 3jwn s GLY 194 CO 0.40 0.73 -0.10 -2.52 0.00 0.00 0.00 173.10 171.62 3jwn s TYR 195 N -1.93 1.03 0.05 1.90 1.13 -0.18 0.60 117.35 119.95 3jwn s TYR 195 Ca -0.04 -0.64 0.03 0.00 -1.41 0.00 0.00 57.07 55.01 3jwn s TYR 195 Cb -0.00 -0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 40.26 3jwn s TYR 195 CO 0.01 -0.01 -0.10 1.52 -2.51 0.00 0.00 175.55 174.46 3jwn s TYR 196 N -2.30 0.84 0.50 -3.49 -0.85 -0.47 -0.09 117.35 111.49 3jwn s TYR 196 Ca 0.04 -0.46 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 3jwn s TYR 196 Cb -0.04 -0.49 0.02 0.00 0.38 0.00 0.00 41.96 41.83 3jwn s TYR 196 CO 0.00 -0.04 0.72 -0.51 -1.52 0.00 0.00 175.55 174.20 3jwn s LEU 197 N -1.54 3.45 -0.02 -3.49 1.43 -1.26 -1.53 118.68 115.71 3jwn s LEU 197 Ca -0.07 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 3jwn s LEU 197 Cb -0.10 -2.98 0.08 0.00 0.03 0.00 0.00 46.19 43.23 3jwn s LEU 197 CO 0.01 -0.94 0.74 -0.94 0.23 0.00 0.00 176.35 175.46 3jwn s SER 198 N -4.33 -0.55 0.00 2.29 1.04 0.22 -0.91 113.70 111.45 3jwn s SER 198 Ca 0.53 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.39 3jwn s SER 198 Cb -0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3jwn s SER 198 CO 0.38 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.57 3jwn n GLY 199 N 0.47 -0.65 3.73 7.32 0.00 -1.26 0.05 105.19 114.85 3jwn n GLY 199 Ca -0.16 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 3jwn n GLY 199 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwn s THR 200 N -2.41 4.85 0.10 2.61 2.01 -1.26 -5.05 115.64 116.49 3jwn s THR 200 Ca 0.00 1.65 0.10 0.00 0.31 0.00 0.00 61.69 63.75 3jwn s THR 200 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 3jwn s THR 200 CO 0.00 0.29 -0.25 0.28 -0.69 0.00 0.00 174.62 174.26 3jwn s THR 201 N 0.39 2.37 -0.22 -0.82 -1.32 -1.26 -1.80 115.64 112.98 3jwn s THR 201 Ca 0.41 -1.56 -0.19 0.00 -1.21 0.00 0.00 61.69 59.13 3jwn s THR 201 Cb -0.20 -2.02 -0.18 0.00 -1.51 0.00 0.00 72.50 68.60 3jwn s THR 201 CO 0.22 0.19 0.08 0.00 -2.21 0.00 0.00 174.62 172.91 3jwn n ALA 202 N 1.20 0.89 -1.81 11.08 0.00 -0.38 -4.76 120.51 126.73 3jwn n ALA 202 Ca -0.17 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.33 3jwn n ALA 202 Cb 0.53 -0.40 0.12 0.00 0.00 0.00 0.00 19.45 19.70 3jwn n ALA 202 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3jwn s ASP 203 N -7.01 3.90 0.15 0.00 3.84 -1.26 -4.99 116.67 111.29 3jwn s ASP 203 Ca -0.31 0.70 -0.01 0.00 -0.00 0.00 0.00 52.55 52.93 3jwn s ASP 203 Cb 0.08 -1.09 -0.05 0.00 -1.38 0.00 0.00 42.92 40.47 3jwn s ASP 203 CO 0.58 -2.28 1.34 0.00 -0.00 0.00 0.00 175.17 174.80 3jwn h ALA 204 N -1.32 0.44 0.00 2.11 0.00 -1.98 -3.12 119.26 115.40 3jwn h ALA 204 Ca -0.46 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3jwn h ALA 204 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3jwn h ALA 204 CO 0.58 0.87 0.00 0.41 0.00 0.00 0.00 179.25 181.11 3jwn n GLY 205 N 0.92 -0.91 3.84 0.00 0.00 -1.26 -4.91 105.19 102.87 3jwn n GLY 205 Ca -0.05 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 3jwn n GLY 205 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jwn n ASN 206 N -1.40 -1.75 -0.00 1.61 4.13 -1.18 -4.81 115.26 111.85 3jwn n ASN 206 Ca 0.05 -0.87 0.01 0.00 1.68 0.00 0.00 54.58 55.45 3jwn n ASN 206 Cb 0.15 -3.69 -0.03 0.00 -1.54 0.00 0.00 39.78 34.67 3jwn n ASN 206 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3jwn n SER 207 N -2.97 4.07 -4.28 6.41 3.41 -1.26 -1.10 113.62 117.88 3jwn n SER 207 Ca -0.22 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.04 3jwn n SER 207 Cb 0.64 1.08 -0.14 0.00 -0.26 0.00 0.00 64.21 65.54 3jwn n SER 207 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jwn s ILE 208 N -2.25 3.34 0.12 -1.33 1.01 -1.26 -4.46 121.20 116.37 3jwn s ILE 208 Ca -0.02 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 3jwn s ILE 208 Cb 0.02 -2.60 -0.06 0.00 0.01 0.00 0.00 42.46 39.83 3jwn s ILE 208 CO 0.17 0.30 0.90 -0.36 0.00 0.00 0.00 174.94 175.95 3jwn s PHE 209 N 1.44 3.83 0.63 3.97 0.40 0.13 -1.25 117.98 127.12 3jwn s PHE 209 Ca 0.04 1.73 -0.18 0.00 -0.60 0.00 0.00 56.93 57.93 3jwn s PHE 209 Cb -0.15 -2.97 -0.02 0.00 0.51 0.00 0.00 43.02 40.38 3jwn s PHE 209 CO -0.03 0.28 1.19 0.95 0.70 0.00 0.00 175.22 178.31 3jwn s THR 210 N -0.25 2.69 -0.40 0.64 -4.23 -0.74 -1.61 115.64 111.74 3jwn s THR 210 Ca 0.44 0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 61.05 3jwn s THR 210 Cb -0.23 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.56 3jwn s THR 210 CO 0.28 -0.13 1.22 0.21 -0.54 0.00 0.00 174.62 175.67 3jwn s ASN 211 N -1.83 6.63 0.00 3.99 2.47 -1.26 -4.61 114.94 120.33 3jwn s ASN 211 Ca 0.75 0.81 0.23 0.00 0.42 0.00 0.00 52.86 55.08 3jwn s ASN 211 Cb -0.28 -2.54 0.31 0.00 -1.45 0.00 0.00 41.25 37.28 3jwn s ASN 211 CO 0.36 -1.19 1.32 0.41 -3.72 0.00 0.00 177.10 174.29 3jwn n THR 212 N 6.58 0.26 -1.59 -5.21 -1.04 0.11 -4.92 114.28 108.46 3jwn n THR 212 Ca 0.14 -0.63 -0.46 0.00 -2.04 0.00 0.00 64.05 61.06 3jwn n THR 212 Cb 0.48 1.23 -0.02 0.00 -1.82 0.00 0.00 70.33 70.20 3jwn n THR 212 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3jwn n ALA 213 N 1.41 -0.24 -0.09 2.41 0.00 -1.18 -4.89 120.51 117.92 3jwn n ALA 213 Ca 0.17 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.79 3jwn n ALA 213 Cb 0.60 -2.05 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 3jwn n ALA 213 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3jwn n SER 214 N 1.53 1.97 -4.66 0.00 2.88 -1.26 -4.60 113.62 109.48 3jwn n SER 214 Ca 0.11 0.26 -0.36 0.00 -1.33 0.00 0.00 58.87 57.55 3jwn n SER 214 Cb 0.30 -0.82 -0.09 0.00 -0.75 0.00 0.00 64.21 62.85 3jwn n SER 214 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3jwn s PHE 215 N -2.47 3.32 -1.12 0.66 2.19 -1.26 -4.63 117.98 114.67 3jwn s PHE 215 Ca -0.31 0.20 -0.23 0.00 0.33 0.00 0.00 56.93 56.93 3jwn s PHE 215 Cb 0.09 -2.22 0.01 0.00 -1.31 0.00 0.00 43.02 39.59 3jwn s PHE 215 CO 0.61 0.11 0.74 0.45 1.83 0.00 0.00 175.22 178.97 3jwn n SER 216 N 4.04 -5.06 -4.74 6.13 2.88 -1.26 -4.47 113.62 111.14 3jwn n SER 216 Ca -0.15 -1.06 -0.41 0.00 -1.33 0.00 0.00 58.87 55.92 3jwn n SER 216 Cb 0.52 -2.80 -0.04 0.00 -0.75 0.00 0.00 64.21 61.13 3jwn n SER 216 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3jwn s PRO 217 N -6.20 4.67 1.21 -1.46 0.04 -1.26 0.25 135.00 132.25 3jwn s PRO 217 Ca 0.42 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 3jwn s PRO 217 Cb -0.18 -3.30 0.30 0.00 0.04 0.00 0.00 34.50 31.36 3jwn s PRO 217 CO 0.89 0.19 1.01 0.00 0.04 0.00 0.00 177.00 179.14 3jwn s ALA 218 N -0.40 -0.47 0.12 8.56 0.00 0.19 -4.58 121.76 125.17 3jwn s ALA 218 Ca 0.47 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.14 3jwn s ALA 218 Cb -0.27 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3jwn s ALA 218 CO 0.34 -3.94 -0.07 -0.65 0.00 0.00 0.00 175.76 171.43 3jwn s GLN 219 N -4.62 0.92 0.00 0.00 -0.21 -1.19 -4.84 119.66 109.71 3jwn s GLN 219 Ca 0.68 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 54.68 3jwn s GLN 219 Cb -0.22 -0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.45 3jwn s GLN 219 CO 0.63 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 174.21 3jwn n GLY 220 N -0.10 0.36 3.11 3.09 0.00 -1.26 -3.13 105.19 107.26 3jwn n GLY 220 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3jwn n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jwn s VAL 221 N -1.88 0.85 0.34 1.61 1.01 -1.26 -0.77 120.40 120.31 3jwn s VAL 221 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.94 3jwn s VAL 221 Cb 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 3jwn s VAL 221 CO 0.00 -0.19 0.40 -0.83 0.00 0.00 0.00 175.10 174.48 3jwn s GLY 222 N -1.39 1.83 -0.10 4.51 0.00 0.14 -4.25 107.32 108.06 3jwn s GLY 222 Ca -0.03 -1.74 -0.08 0.00 0.00 0.00 0.00 44.72 42.86 3jwn s GLY 222 CO 0.01 -1.19 0.19 0.14 0.00 0.00 0.00 173.10 172.25 3jwn s VAL 223 N -3.18 5.43 -0.02 1.40 1.01 -0.63 -0.28 120.40 124.12 3jwn s VAL 223 Ca 0.35 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 3jwn s VAL 223 Cb 0.01 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.96 3jwn s VAL 223 CO 0.23 0.61 0.03 -1.58 0.00 0.00 0.00 175.10 174.39 3jwn s GLN 224 N -1.03 -0.00 0.03 2.72 0.74 0.61 0.19 119.66 122.92 3jwn s GLN 224 Ca 0.16 0.19 -0.05 0.00 0.05 0.00 0.00 55.36 55.72 3jwn s GLN 224 Cb -0.13 -0.30 -0.05 0.00 1.10 0.00 0.00 33.01 33.64 3jwn s GLN 224 CO 0.06 -0.18 0.26 -0.51 -0.55 0.00 0.00 175.29 174.36 3jwn s LEU 225 N 1.15 4.35 0.01 3.68 1.43 -1.26 -0.40 118.68 127.64 3jwn s LEU 225 Ca -0.08 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3jwn s LEU 225 Cb -0.13 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 3jwn s LEU 225 CO -0.03 0.22 -0.01 0.28 0.23 0.00 0.00 176.35 177.04 3jwn s THR 226 N -1.38 0.07 -0.02 5.49 -1.32 0.04 -2.26 115.64 116.26 3jwn s THR 226 Ca 0.30 -0.60 0.04 0.00 -1.21 0.00 0.00 61.69 60.22 3jwn s THR 226 Cb -0.13 -0.19 -0.01 0.00 -1.51 0.00 0.00 72.50 70.66 3jwn s THR 226 CO 0.19 -0.33 -0.14 0.00 -2.21 0.00 0.00 174.62 172.14 3jwn s ARG 227 N -0.97 1.25 0.00 7.08 1.70 -1.08 -0.13 118.95 126.81 3jwn s ARG 227 Ca -0.11 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 3jwn s ARG 227 Cb -0.07 -1.17 0.00 0.00 -0.57 0.00 0.00 34.95 33.15 3jwn s ARG 227 CO -0.01 0.24 0.00 0.09 -1.08 0.00 0.00 175.30 174.55 3jwn n ASN 228 N 2.97 0.00 0.00 -2.89 5.03 -1.25 -1.55 115.26 117.56 3jwn n ASN 228 Ca -0.16 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.29 3jwn n ASN 228 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.30 3jwn n ASN 228 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3jwn n GLY 229 N 0.00 -0.05 2.87 7.41 0.00 -1.26 -5.17 105.19 108.99 3jwn n GLY 229 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3jwn n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwn s THR 230 N 0.00 -0.02 0.08 2.61 2.01 -0.60 -5.13 115.64 114.59 3jwn s THR 230 Ca 0.00 0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 3jwn s THR 230 Cb 0.00 -0.07 -0.08 0.00 0.01 0.00 0.00 72.50 72.36 3jwn s THR 230 CO 0.00 0.03 1.48 -0.63 -0.69 0.00 0.00 174.62 174.81 3jwn s ILE 231 N 0.40 3.27 -0.42 1.82 1.01 -1.26 -2.62 121.20 123.40 3jwn s ILE 231 Ca -0.03 0.81 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 3jwn s ILE 231 Cb -0.05 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 38.99 3jwn s ILE 231 CO -0.01 0.03 0.24 -0.63 0.00 0.00 0.00 174.94 174.57 3jwn s ILE 232 N 1.84 3.90 0.85 2.92 1.01 -0.96 -5.00 121.20 125.76 3jwn s ILE 232 Ca 0.67 -1.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 3jwn s ILE 232 Cb -0.37 -3.48 0.10 0.00 0.01 0.00 0.00 42.46 38.73 3jwn s ILE 232 CO 0.30 -0.58 1.11 -2.16 0.00 0.00 0.00 174.94 173.61 3jwn s PRO 233 N 1.33 1.63 0.60 2.79 0.04 -1.26 -4.64 135.00 135.49 3jwn s PRO 233 Ca 0.04 0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.47 3jwn s PRO 233 Cb -0.23 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3jwn s PRO 233 CO -0.00 -1.92 1.09 0.00 0.04 0.00 0.00 177.00 176.21 3jwn s ALA 234 N -3.16 2.63 -1.42 8.56 0.00 -0.26 -3.75 121.76 124.37 3jwn s ALA 234 Ca 0.62 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 3jwn s ALA 234 Cb -0.15 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.70 3jwn s ALA 234 CO 0.54 -0.96 0.58 0.09 0.00 0.00 0.00 175.76 176.01 3jwn n ASN 235 N -1.98 -1.20 -3.43 0.00 3.02 -0.09 -4.91 115.26 106.67 3jwn n ASN 235 Ca 0.10 -0.93 -0.19 0.00 -0.03 0.00 0.00 54.58 53.52 3jwn n ASN 235 Cb 0.52 -3.39 -0.11 0.00 -0.61 0.00 0.00 39.78 36.20 3jwn n ASN 235 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3jwn s ASN 236 N -4.18 2.00 -0.22 6.41 2.47 -1.25 -5.00 114.94 115.16 3jwn s ASN 236 Ca 0.13 -0.83 -0.28 0.00 0.42 0.00 0.00 52.86 52.29 3jwn s ASN 236 Cb -0.07 0.35 -0.04 0.00 -1.45 0.00 0.00 41.25 40.04 3jwn s ASN 236 CO 0.86 -0.40 1.97 -0.89 -3.72 0.00 0.00 177.10 174.93 3jwn s THR 237 N 2.31 3.25 0.47 -5.21 2.01 -1.26 -4.68 115.64 112.54 3jwn s THR 237 Ca 0.09 0.27 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 3jwn s THR 237 Cb -0.14 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 3jwn s THR 237 CO -0.33 -0.17 1.05 -0.69 -0.69 0.00 0.00 174.62 173.79 3jwn s VAL 238 N 7.00 3.73 -0.16 3.82 1.01 0.87 -4.90 120.40 131.77 3jwn s VAL 238 Ca 0.89 1.13 0.01 0.00 0.00 0.00 0.00 61.98 64.01 3jwn s VAL 238 Cb -0.30 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3jwn s VAL 238 CO 0.35 -0.18 -0.20 -0.55 0.00 0.00 0.00 175.10 174.52 3jwn s SER 239 N -1.87 3.21 0.00 3.32 0.15 -1.26 -1.01 113.70 116.24 3jwn s SER 239 Ca 0.66 -0.61 0.27 0.00 0.70 0.00 0.00 55.95 56.97 3jwn s SER 239 Cb -0.18 -1.48 0.87 0.00 -1.71 0.00 0.00 66.02 63.52 3jwn s SER 239 CO 0.22 0.04 1.64 0.18 1.20 0.00 0.00 173.24 176.52 3jwn n LEU 240 N 4.34 0.84 0.00 3.45 4.77 -1.01 -4.99 117.00 124.40 3jwn n LEU 240 Ca -0.20 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3jwn n LEU 240 Cb 0.51 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3jwn n LEU 240 CO 0.27 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3jwn n GLY 241 N 1.33 2.71 3.35 -0.72 0.00 -1.17 -4.69 105.19 106.00 3jwn n GLY 241 Ca 0.12 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3jwn n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s ALA 242 N -1.74 2.89 -0.11 4.61 0.00 -1.26 -0.58 121.76 125.57 3jwn s ALA 242 Ca 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.85 3jwn s ALA 242 Cb 0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 3jwn s ALA 242 CO 0.00 -0.41 -0.22 0.08 0.00 0.00 0.00 175.76 175.21 3jwn s VAL 243 N 1.46 2.20 0.00 0.00 1.01 -0.01 -4.94 120.40 120.10 3jwn s VAL 243 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3jwn s VAL 243 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3jwn s VAL 243 CO -0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3jwn n GLY 244 N 3.62 2.94 0.16 4.51 0.00 -1.26 -1.74 105.19 113.42 3jwn n GLY 244 Ca -0.19 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.11 3jwn n GLY 244 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3jwn h THR 245 N 0.00 0.00 -3.42 2.61 1.35 -1.76 0.23 112.91 111.92 3jwn h THR 245 Ca 0.00 -0.57 -0.54 0.00 -0.55 0.00 0.00 66.41 64.74 3jwn h THR 245 Cb 0.00 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 3jwn h THR 245 CO 0.00 0.00 0.24 -0.44 -0.25 0.00 0.00 175.52 175.07 3jwn s SER 246 N -5.07 7.24 0.52 5.36 0.01 -1.26 -4.71 113.70 115.79 3jwn s SER 246 Ca 0.07 1.49 -0.23 0.00 1.31 0.00 0.00 55.95 58.59 3jwn s SER 246 Cb 0.09 -2.50 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 3jwn s SER 246 CO 0.57 -0.14 1.38 0.00 0.41 0.00 0.00 173.24 175.46 3jwn n ALA 247 N 3.54 1.71 -3.64 1.44 0.00 -1.26 -4.71 120.51 117.59 3jwn n ALA 247 Ca 0.02 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.40 3jwn n ALA 247 Cb 0.51 -2.37 -0.17 0.00 0.00 0.00 0.00 19.45 17.43 3jwn n ALA 247 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3jwn s VAL 248 N -1.26 0.65 0.32 0.00 1.01 -0.17 -4.89 120.40 116.06 3jwn s VAL 248 Ca 0.69 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 3jwn s VAL 248 Cb -0.43 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 3jwn s VAL 248 CO 0.51 0.26 1.13 -0.55 0.00 0.00 0.00 175.10 176.45 3jwn s SER 249 N 1.08 7.05 0.53 3.32 0.15 -1.26 -0.85 113.70 123.72 3jwn s SER 249 Ca -0.08 2.30 0.32 0.00 0.70 0.00 0.00 55.95 59.19 3jwn s SER 249 Cb -0.14 -2.62 1.24 0.00 -1.71 0.00 0.00 66.02 62.78 3jwn s SER 249 CO -0.01 -0.30 1.94 -0.07 1.20 0.00 0.00 173.24 176.00 3jwn h LEU 250 N 3.44 0.00 0.43 3.45 3.38 -1.79 -3.47 115.31 120.74 3jwn h LEU 250 Ca -0.47 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 3jwn h LEU 250 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3jwn h LEU 250 CO 0.66 0.02 -0.09 0.61 0.09 0.00 0.00 178.44 179.73 3jwn n GLY 251 N 0.13 0.25 3.84 0.83 0.00 -1.26 -4.97 105.19 104.01 3jwn n GLY 251 Ca 0.01 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 3jwn n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwn s LEU 252 N -1.09 4.29 -0.03 0.99 1.43 -1.26 -3.97 118.68 119.04 3jwn s LEU 252 Ca 0.01 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 54.26 3jwn s LEU 252 Cb -0.00 -3.49 0.03 0.00 0.03 0.00 0.00 46.19 42.76 3jwn s LEU 252 CO 0.01 0.03 0.06 -0.89 0.23 0.00 0.00 176.35 175.78 3jwn s THR 253 N -1.58 -0.06 0.20 5.49 2.01 0.81 -0.61 115.64 121.90 3jwn s THR 253 Ca 0.42 0.23 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 3jwn s THR 253 Cb -0.14 -0.12 -0.08 0.00 0.01 0.00 0.00 72.50 72.16 3jwn s THR 253 CO 0.20 0.09 0.82 0.00 -0.69 0.00 0.00 174.62 175.04 3jwn s ALA 254 N 1.18 3.40 0.08 7.40 0.00 0.00 -0.78 121.76 133.05 3jwn s ALA 254 Ca -0.08 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.31 3jwn s ALA 254 Cb -0.13 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 3jwn s ALA 254 CO -0.04 0.27 -0.06 -0.80 0.00 0.00 0.00 175.76 175.13 3jwn s ASN 255 N -1.23 0.95 0.35 0.00 -0.87 0.47 -2.50 114.94 112.11 3jwn s ASN 255 Ca 0.39 -0.89 -0.25 0.00 -1.57 0.00 0.00 52.86 50.54 3jwn s ASN 255 Cb -0.23 0.10 -0.10 0.00 -0.02 0.00 0.00 41.25 41.00 3jwn s ASN 255 CO 0.27 -0.43 0.94 -0.31 -2.57 0.00 0.00 177.10 175.00 3jwn s TYR 256 N -3.13 3.59 -0.01 2.20 1.51 -1.26 -0.29 117.35 119.96 3jwn s TYR 256 Ca 0.06 1.73 -0.08 0.00 -1.01 0.00 0.00 57.07 57.77 3jwn s TYR 256 Cb 0.02 -2.90 0.01 0.00 -0.11 0.00 0.00 41.96 38.98 3jwn s TYR 256 CO -0.04 0.13 0.16 0.00 -1.11 0.00 0.00 175.55 174.69 3jwn s ALA 257 N -1.77 -0.40 -0.04 3.71 0.00 0.61 -4.77 121.76 119.11 3jwn s ALA 257 Ca 0.53 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 3jwn s ALA 257 Cb -0.16 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3jwn s ALA 257 CO 0.21 -0.20 0.36 0.50 0.00 0.00 0.00 175.76 176.63 3jwn s ARG 258 N -1.15 3.89 0.00 0.00 3.52 -1.26 0.25 118.95 124.20 3jwn s ARG 258 Ca -0.12 0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.78 3jwn s ARG 258 Cb -0.06 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3jwn s ARG 258 CO 0.02 0.65 -0.01 0.25 -0.81 0.00 0.00 175.30 175.39 3jwn n THR 259 N 2.07 0.14 -2.33 4.11 -2.24 0.05 -4.90 114.28 111.18 3jwn n THR 259 Ca -0.14 0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 3jwn n THR 259 Cb 0.53 -1.21 0.02 0.00 -2.10 0.00 0.00 70.33 67.57 3jwn n THR 259 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jwn n GLY 260 N 2.93 0.78 0.00 3.38 0.00 -1.23 -5.03 105.19 106.02 3jwn n GLY 260 Ca -0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3jwn n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwn n GLY 261 N 3.62 1.50 3.63 -0.02 0.00 -1.26 -4.76 105.19 107.89 3jwn n GLY 261 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3jwn n GLY 261 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jwn s GLN 262 N -0.04 3.72 -0.91 1.61 2.00 -1.26 -4.91 119.66 119.87 3jwn s GLN 262 Ca 0.00 1.81 -0.22 0.00 -2.00 0.00 0.00 55.36 54.96 3jwn s GLN 262 Cb 0.00 -4.10 0.08 0.00 0.80 0.00 0.00 33.01 29.79 3jwn s GLN 262 CO 0.00 -1.39 1.24 0.08 -0.50 0.00 0.00 175.29 174.72 3jwn s VAL 263 N 5.61 4.29 0.69 1.34 1.01 -1.26 -4.25 120.40 127.82 3jwn s VAL 263 Ca 0.78 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 3jwn s VAL 263 Cb -0.28 -4.88 0.02 0.00 0.00 0.00 0.00 36.38 31.23 3jwn s VAL 263 CO 0.32 -1.69 1.19 -0.89 0.00 0.00 0.00 175.10 174.03 3jwn s THR 264 N 3.99 2.51 0.47 3.92 2.01 -1.18 -4.90 115.64 122.45 3jwn s THR 264 Ca 0.37 0.26 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 3jwn s THR 264 Cb -0.05 -2.87 -0.07 0.00 0.01 0.00 0.00 72.50 69.52 3jwn s THR 264 CO -0.05 -0.12 0.88 0.00 -0.69 0.00 0.00 174.62 174.64 3jwn s ALA 265 N -1.95 3.22 0.00 7.40 0.00 -1.26 -3.20 121.76 125.97 3jwn s ALA 265 Ca 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3jwn s ALA 265 Cb -0.28 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3jwn s ALA 265 CO 0.42 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.42 3jwn n GLY 266 N -1.58 -0.33 3.86 0.00 0.00 -1.26 -4.18 105.19 101.69 3jwn n GLY 266 Ca 0.04 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 3jwn n GLY 266 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jwn s ASN 267 N -4.00 6.71 -0.11 1.61 0.01 0.14 -4.13 114.94 115.18 3jwn s ASN 267 Ca 0.00 1.18 0.00 0.00 -0.71 0.00 0.00 52.86 53.34 3jwn s ASN 267 Cb 0.00 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.35 3jwn s ASN 267 CO 0.00 -0.20 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.61 3jwn s VAL 268 N -1.99 1.10 0.01 1.60 1.01 -1.26 -0.64 120.40 120.22 3jwn s VAL 268 Ca 0.52 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3jwn s VAL 268 Cb -0.10 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3jwn s VAL 268 CO 0.20 0.37 -0.09 -1.58 0.00 0.00 0.00 175.10 174.00 3jwn s GLN 269 N 1.51 0.66 -0.13 2.72 0.74 -1.26 -4.91 119.66 118.99 3jwn s GLN 269 Ca 0.02 -0.41 -0.06 0.00 0.05 0.00 0.00 55.36 54.95 3jwn s GLN 269 Cb -0.13 -0.61 0.05 0.00 1.10 0.00 0.00 33.01 33.43 3jwn s GLN 269 CO -0.07 0.16 0.29 0.45 -0.55 0.00 0.00 175.29 175.58 3jwn s SER 270 N -0.52 -0.19 -0.30 6.67 0.15 -1.26 0.10 113.70 118.35 3jwn s SER 270 Ca 0.01 0.64 -0.12 0.00 0.70 0.00 0.00 55.95 57.18 3jwn s SER 270 Cb -0.05 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 3jwn s SER 270 CO 0.00 -0.19 0.21 -0.63 1.20 0.00 0.00 173.24 173.83 3jwn s ILE 271 N 1.59 5.30 -0.14 6.45 1.09 -1.26 -5.06 121.20 129.17 3jwn s ILE 271 Ca -0.07 0.09 0.01 0.00 -1.10 0.00 0.00 60.65 59.58 3jwn s ILE 271 Cb -0.10 -3.59 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 3jwn s ILE 271 CO -0.10 0.18 -0.18 -0.63 -0.10 0.00 0.00 174.94 174.12 3jwn s ILE 272 N 1.77 2.48 0.12 2.92 1.01 -1.26 -4.67 121.20 123.57 3jwn s ILE 272 Ca 0.07 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 3jwn s ILE 272 Cb -0.16 -2.03 -0.07 0.00 0.01 0.00 0.00 42.46 40.21 3jwn s ILE 272 CO 0.11 0.53 0.56 -0.83 0.00 0.00 0.00 174.94 175.30 3jwn s GLY 273 N 0.74 2.53 -0.11 6.18 0.00 0.11 -4.91 107.32 111.86 3jwn s GLY 273 Ca -0.07 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.61 3jwn s GLY 273 CO 0.01 0.26 -0.22 0.14 0.00 0.00 0.00 173.10 173.28 3jwn s VAL 274 N -1.34 1.96 -0.09 1.40 1.01 -1.26 -0.61 120.40 121.47 3jwn s VAL 274 Ca 0.35 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3jwn s VAL 274 Cb -0.16 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3jwn s VAL 274 CO 0.19 0.53 -0.17 -0.89 0.00 0.00 0.00 175.10 174.76 3jwn s THR 275 N 0.57 1.54 0.20 3.92 2.01 -0.59 -4.99 115.64 118.30 3jwn s THR 275 Ca -0.14 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 3jwn s THR 275 Cb -0.17 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 3jwn s THR 275 CO 0.04 0.45 0.48 -0.36 -0.69 0.00 0.00 174.62 174.54 3jwn s PHE 276 N 0.59 3.45 0.02 4.92 0.40 -1.26 -1.37 117.98 124.72 3jwn s PHE 276 Ca -0.15 0.73 -0.07 0.00 -0.60 0.00 0.00 56.93 56.84 3jwn s PHE 276 Cb -0.16 -2.15 -0.00 0.00 0.51 0.00 0.00 43.02 41.21 3jwn s PHE 276 CO 0.05 0.33 0.12 0.08 0.70 0.00 0.00 175.22 176.50 3jwn s VAL 277 N -1.78 0.10 0.21 -0.44 1.01 0.20 -4.60 120.40 115.11 3jwn s VAL 277 Ca 0.45 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 3jwn s VAL 277 Cb -0.11 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.57 3jwn s VAL 277 CO 0.23 -0.47 0.65 -0.31 0.00 0.00 0.00 175.10 175.20 3jwn s TYR 278 N -1.90 3.58 0.00 5.22 4.12 -1.26 -0.92 117.35 126.18 3jwn s TYR 278 Ca -0.11 1.21 0.00 0.00 0.02 0.00 0.00 57.07 58.19 3jwn s TYR 278 Cb -0.05 -2.49 0.00 0.00 -1.52 0.00 0.00 41.96 37.90 3jwn s TYR 278 CO -0.01 0.33 0.40 1.04 0.02 0.00 0.00 175.55 177.33