#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 -0.26 0.02 3.13 0.00 -0.28 -4.99 121.76 119.38 3jwn s ALA 2 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.45 3jwn s ALA 2 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3jwn s ALA 2 CO 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 175.76 175.51 3jwn s LYS 4 N -0.88 0.81 0.75 0.00 -2.85 -0.11 -0.49 119.74 116.98 3jwn s LYS 4 Ca 0.04 -1.21 -0.11 0.00 -1.00 0.00 0.00 55.97 53.69 3jwn s LYS 4 Cb -0.07 -0.35 0.05 0.00 -2.06 0.00 0.00 37.83 35.39 3jwn s LYS 4 CO 0.01 0.03 1.13 0.99 0.10 0.00 0.00 175.35 177.61 3jwn s THR 5 N -2.93 2.75 0.34 3.79 2.01 0.14 -1.29 115.64 120.45 3jwn s THR 5 Ca 0.07 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.35 3jwn s THR 5 Cb 0.00 -3.24 0.30 0.00 0.01 0.00 0.00 72.50 69.58 3jwn s THR 5 CO -0.02 -0.31 1.90 0.00 -0.69 0.00 0.00 174.62 175.50 3jwn h ALA 6 N -0.84 1.68 0.00 7.40 0.00 -0.23 0.91 119.26 128.18 3jwn h ALA 6 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3jwn h ALA 6 Cb 1.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3jwn h ALA 6 CO 0.65 0.14 0.00 -0.91 0.00 0.00 0.00 179.25 179.13 3jwn h ASN 7 N 0.83 0.00 0.00 0.00 2.35 -1.92 -3.46 115.58 113.37 3jwn h ASN 7 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3jwn h ASN 7 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3jwn h ASN 7 CO -0.17 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.22 3jwn n GLY 8 N -0.63 0.46 3.75 2.83 0.00 0.31 -5.07 105.19 106.85 3jwn n GLY 8 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3jwn n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jwn s THR 9 N -2.00 2.97 0.09 2.61 -4.23 -1.26 -4.61 115.64 109.21 3jwn s THR 9 Ca 0.00 0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 61.08 3jwn s THR 9 Cb 0.00 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 3jwn s THR 9 CO 0.00 0.17 0.99 0.00 -0.54 0.00 0.00 174.62 175.24 3jwn s ALA 10 N -0.50 3.24 -0.27 3.99 0.00 -1.26 0.27 121.76 127.24 3jwn s ALA 10 Ca 0.53 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.84 3jwn s ALA 10 Cb -0.38 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3jwn s ALA 10 CO 0.45 -0.12 0.90 0.42 0.00 0.00 0.00 175.76 177.41 3jwn s ILE 11 N 0.28 4.74 0.55 0.00 1.01 0.36 -4.93 121.20 123.20 3jwn s ILE 11 Ca 0.49 1.60 -0.22 0.00 0.00 0.00 0.00 60.65 62.53 3jwn s ILE 11 Cb -0.24 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 3jwn s ILE 11 CO 0.30 -0.20 1.33 -0.81 0.00 0.00 0.00 174.94 175.56 3jwn n PRO 12 N 6.25 1.64 -3.64 2.79 -0.04 -1.26 -4.60 135.00 136.14 3jwn n PRO 12 Ca 0.07 0.60 -0.37 0.00 -0.04 0.00 0.00 63.50 63.77 3jwn n PRO 12 Cb 0.47 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 3jwn n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3jwn s ILE 13 N -1.30 5.26 -2.26 0.52 1.01 -1.26 -4.94 121.20 118.23 3jwn s ILE 13 Ca 0.72 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.92 3jwn s ILE 13 Cb -0.42 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3jwn s ILE 13 CO 0.49 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.59 3jwn n GLY 14 N 2.25 -1.39 1.36 6.18 0.00 -1.26 -5.00 105.19 107.33 3jwn n GLY 14 Ca -0.16 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.06 5.26 0.00 -0.02 0.00 -1.26 -4.70 105.19 104.41 3jwn n GLY 15 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.04 3.33 3.38 -0.02 0.00 -1.26 -4.71 105.19 104.86 3jwn n GLY 16 Ca 0.36 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3jwn n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jwn s SER 17 N 1.00 3.40 -0.04 1.61 0.01 -1.26 -0.43 113.70 117.99 3jwn s SER 17 Ca 0.00 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.83 3jwn s SER 17 Cb 0.00 -0.47 0.01 0.00 0.21 0.00 0.00 66.02 65.77 3jwn s SER 17 CO 0.00 0.30 -0.09 0.00 0.41 0.00 0.00 173.24 173.86 3jwn s ALA 18 N -0.75 0.91 -0.16 1.44 0.00 -0.29 -4.96 121.76 117.95 3jwn s ALA 18 Ca 0.12 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 3jwn s ALA 18 Cb -0.10 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3jwn s ALA 18 CO 0.01 0.11 0.78 -0.80 0.00 0.00 0.00 175.76 175.86 3jwn s ASN 19 N 0.43 6.91 -0.23 0.00 0.01 -1.26 -0.54 114.94 120.25 3jwn s ASN 19 Ca -0.07 1.11 0.02 0.00 -0.71 0.00 0.00 52.86 53.21 3jwn s ASN 19 Cb -0.11 -2.43 0.05 0.00 0.41 0.00 0.00 41.25 39.17 3jwn s ASN 19 CO 0.01 -0.35 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.45 3jwn s VAL 20 N 1.96 1.95 -0.13 1.60 1.01 0.51 -4.95 120.40 122.35 3jwn s VAL 20 Ca 0.36 -1.36 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 3jwn s VAL 20 Cb -0.17 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3jwn s VAL 20 CO 0.13 0.07 0.56 -0.31 0.00 0.00 0.00 175.10 175.55 3jwn s TYR 21 N 1.23 3.49 0.06 5.22 1.51 -1.26 -0.47 117.35 127.13 3jwn s TYR 21 Ca -0.05 0.97 0.01 0.00 -1.01 0.00 0.00 57.07 56.98 3jwn s TYR 21 Cb -0.18 -2.67 -0.03 0.00 -0.11 0.00 0.00 41.96 38.97 3jwn s TYR 21 CO -0.07 0.06 -0.05 0.14 -1.11 0.00 0.00 175.55 174.52 3jwn s VAL 22 N 0.99 0.45 -0.14 0.71 -7.23 0.11 -4.89 120.40 110.39 3jwn s VAL 22 Ca 0.29 -1.55 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 3jwn s VAL 22 Cb -0.16 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 3jwn s VAL 22 CO 0.12 -0.74 0.51 0.20 -0.31 0.00 0.00 175.10 174.89 3jwn s ASN 23 N -2.44 6.68 -0.01 4.85 0.01 -1.26 -0.35 114.94 122.42 3jwn s ASN 23 Ca 0.01 0.81 0.06 0.00 -0.71 0.00 0.00 52.86 53.04 3jwn s ASN 23 Cb 0.00 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 3jwn s ASN 23 CO -0.04 -0.07 -0.20 -1.48 -1.51 0.00 0.00 177.10 173.80 3jwn s LEU 24 N 0.95 2.44 -0.53 0.60 2.34 -1.26 -4.82 118.68 118.40 3jwn s LEU 24 Ca 0.27 -0.38 0.06 0.00 0.06 0.00 0.00 54.13 54.14 3jwn s LEU 24 Cb -0.15 -1.46 0.22 0.00 -0.56 0.00 0.00 46.19 44.24 3jwn s LEU 24 CO 0.11 0.31 0.56 0.00 -1.06 0.00 0.00 176.35 176.27 3jwn n ALA 25 N 2.09 3.22 -0.95 1.48 0.00 -1.26 -4.97 120.51 120.12 3jwn n ALA 25 Ca -0.17 -4.00 -0.33 0.00 0.00 0.00 0.00 53.44 48.94 3jwn n ALA 25 Cb 0.52 -0.87 0.13 0.00 0.00 0.00 0.00 19.45 19.23 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 1.56 -0.08 -3.60 0.00 -0.02 -1.25 -4.92 135.00 126.68 3jwn n PRO 26 Ca 0.25 0.04 -0.15 0.00 -2.02 0.00 0.00 63.50 61.63 3jwn n PRO 26 Cb 0.45 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.28 -1.79 -0.09 3.55 0.00 -0.76 -4.96 121.76 115.42 3jwn s ALA 27 Ca 0.66 1.85 -0.30 0.00 0.00 0.00 0.00 51.96 54.18 3jwn s ALA 27 Cb -0.26 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3jwn s ALA 27 CO 0.58 -0.34 1.09 0.08 0.00 0.00 0.00 175.76 177.18 3jwn s VAL 28 N -0.01 4.55 0.39 0.00 1.01 -1.26 -1.04 120.40 124.05 3jwn s VAL 28 Ca -0.02 1.84 0.07 0.00 0.00 0.00 0.00 61.98 63.87 3jwn s VAL 28 Cb -0.04 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 3jwn s VAL 28 CO 0.03 -0.01 -0.01 0.20 0.00 0.00 0.00 175.10 175.31 3jwn s ASN 29 N 1.28 3.77 -0.12 3.32 0.01 -1.24 -4.92 114.94 117.05 3jwn s ASN 29 Ca 0.51 -1.34 -0.29 0.00 -0.71 0.00 0.00 52.86 51.03 3jwn s ASN 29 Cb -0.21 -0.37 -0.06 0.00 0.41 0.00 0.00 41.25 41.02 3jwn s ASN 29 CO 0.19 -0.41 1.88 -0.69 -1.51 0.00 0.00 177.10 176.56 3jwn s VAL 30 N -2.72 3.29 0.00 1.60 1.01 -1.26 -3.26 120.40 119.05 3jwn s VAL 30 Ca 0.35 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3jwn s VAL 30 Cb 0.09 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3jwn s VAL 30 CO 0.18 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3jwn n GLY 31 N 4.83 2.83 3.48 4.51 0.00 -1.26 -4.91 105.19 114.67 3jwn n GLY 31 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 3jwn n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jwn s GLN 32 N -0.11 0.52 -0.15 1.61 2.00 -1.20 -4.46 119.66 117.87 3jwn s GLN 32 Ca 0.00 1.28 -0.19 0.00 -2.00 0.00 0.00 55.36 54.45 3jwn s GLN 32 Cb 0.00 0.68 -0.04 0.00 0.80 0.00 0.00 33.01 34.45 3jwn s GLN 32 CO 0.00 -0.28 0.53 -0.80 -0.50 0.00 0.00 175.29 174.24 3jwn s ASN 33 N 2.82 6.68 0.09 6.67 0.01 -0.76 -3.61 114.94 126.85 3jwn s ASN 33 Ca -0.01 0.81 -0.31 0.00 -0.71 0.00 0.00 52.86 52.65 3jwn s ASN 33 Cb -0.13 -2.31 -0.07 0.00 0.41 0.00 0.00 41.25 39.15 3jwn s ASN 33 CO -0.18 -0.10 1.36 -0.22 -1.51 0.00 0.00 177.10 176.46 3jwn s LEU 34 N 1.09 4.36 -0.18 0.60 1.98 -0.21 -0.21 118.68 126.11 3jwn s LEU 34 Ca 0.27 2.25 -0.15 0.00 -2.89 0.00 0.00 54.13 53.60 3jwn s LEU 34 Cb -0.16 -3.58 -0.07 0.00 0.66 0.00 0.00 46.19 43.05 3jwn s LEU 34 CO 0.11 -0.63 -0.28 0.52 -1.89 0.00 0.00 176.35 174.18 3jwn n VAL 35 N 4.05 1.48 -4.07 1.68 0.31 0.00 -1.83 118.33 119.95 3jwn n VAL 35 Ca 0.11 0.09 -0.14 0.00 -0.01 0.00 0.00 64.34 64.40 3jwn n VAL 35 Cb 0.43 -2.29 -0.13 0.00 -0.91 0.00 0.00 33.84 30.94 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 -2.66 0.39 -0.57 2.52 1.01 -1.13 -3.78 120.40 116.18 3jwn s VAL 36 Ca -0.26 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3jwn s VAL 36 Cb 0.05 -0.40 0.15 0.00 0.00 0.00 0.00 36.38 36.17 3jwn s VAL 36 CO 0.39 -0.15 0.40 -0.62 0.00 0.00 0.00 175.10 175.12 3jwn s ASP 37 N -0.81 5.40 0.31 3.32 -1.08 -1.26 -1.70 116.67 120.84 3jwn s ASP 37 Ca -0.05 -2.56 0.26 0.00 -0.52 0.00 0.00 52.55 49.68 3jwn s ASP 37 Cb -0.06 -1.89 0.99 0.00 -1.46 0.00 0.00 42.92 40.50 3jwn s ASP 37 CO -0.00 -0.46 1.77 -0.07 0.52 0.00 0.00 175.17 176.93 3jwn h LEU 38 N 7.46 0.00 -1.88 -1.34 3.38 -1.52 -2.54 115.31 118.87 3jwn h LEU 38 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3jwn h LEU 38 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3jwn h LEU 38 CO 0.73 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.03 3jwn h SER 39 N 0.00 0.00 0.55 -0.43 4.64 -1.51 0.15 113.55 116.95 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 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3jwn h SER 39 CO 0.00 0.00 -0.82 0.41 -0.87 0.00 0.00 176.83 175.55 3jwn n THR 40 N -2.85 0.18 -0.06 2.95 -1.04 -0.96 -4.58 114.28 107.94 3jwn n THR 40 Ca -0.01 -0.20 -0.07 0.00 -2.04 0.00 0.00 64.05 61.74 3jwn n THR 40 Cb 0.17 0.15 -0.08 0.00 -1.82 0.00 0.00 70.33 68.76 3jwn n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3jwn n GLN 41 N -1.90 1.67 -5.15 -2.82 1.13 -0.39 -4.65 117.38 105.27 3jwn n GLN 41 Ca 0.03 0.02 -0.31 0.00 -1.94 0.00 0.00 57.00 54.80 3jwn n GLN 41 Cb 0.41 -1.28 -0.17 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.27 1.95 -0.04 5.09 1.01 -0.10 0.48 121.20 127.32 3jwn s ILE 42 Ca -0.09 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.62 3jwn s ILE 42 Cb 0.04 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.83 3jwn s ILE 42 CO 0.41 0.54 -0.12 -0.36 0.00 0.00 0.00 174.94 175.41 3jwn s PHE 43 N 0.29 1.25 0.08 3.97 0.40 -0.41 -1.48 117.98 122.07 3jwn s PHE 43 Ca -0.16 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 55.87 3jwn s PHE 43 Cb -0.17 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 3jwn s PHE 43 CO 0.07 -0.16 -0.15 0.00 0.70 0.00 0.00 175.22 175.69 3jwn s HIS 45 N -1.37 0.90 -0.24 0.00 -3.43 -0.39 -1.36 115.29 109.40 3jwn s HIS 45 Ca 0.01 -1.17 -0.01 0.00 -0.80 0.00 0.00 55.06 53.09 3jwn s HIS 45 Cb -0.09 -0.33 0.03 0.00 -1.43 0.00 0.00 32.58 30.75 3jwn s HIS 45 CO 0.03 -0.73 -0.08 1.21 -2.00 0.00 0.00 174.74 173.16 3jwn s ASN 46 N -3.11 4.21 0.53 7.38 3.84 0.71 -1.12 114.94 127.37 3jwn s ASN 46 Ca 0.33 -0.89 0.32 0.00 0.21 0.00 0.00 52.86 52.83 3jwn s ASN 46 Cb 0.05 -1.64 1.26 0.00 -0.55 0.00 0.00 41.25 40.37 3jwn s ASN 46 CO 0.10 -0.12 1.95 0.44 -2.79 0.00 0.00 177.10 176.68 3jwn h ASP 47 N 7.99 0.00 -2.16 -4.21 3.32 -1.90 -2.90 116.42 116.56 3jwn h ASP 47 Ca -0.33 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.18 3jwn h ASP 47 Cb 1.11 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.25 3jwn h ASP 47 CO 0.57 0.03 -0.89 -1.22 -1.72 0.00 0.00 179.24 176.01 3jwn n TYR 48 N -3.13 2.27 0.06 4.55 4.02 -1.26 -4.90 117.16 118.76 3jwn n TYR 48 Ca 0.01 -3.92 -0.00 0.00 -0.01 0.00 0.00 57.90 53.98 3jwn n TYR 48 Cb 0.33 -0.46 0.30 0.00 -0.02 0.00 0.00 39.34 39.50 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 3.05 0.38 0.00 -0.72 0.13 -1.73 -1.58 132.00 131.53 3jwn h PRO 49 Ca 0.12 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 3jwn h PRO 49 Cb 0.72 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3jwn h PRO 49 CO 0.67 0.53 -0.21 1.05 -0.23 0.00 0.00 178.00 179.81 3jwn h GLU 50 N 0.35 0.00 0.04 0.86 -0.00 -1.91 -3.27 114.58 110.65 3jwn h GLU 50 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 59.36 59.08 3jwn h GLU 50 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.17 3jwn h GLU 50 CO 0.03 0.21 -2.09 2.41 -0.00 0.00 0.00 179.01 179.57 3jwn n THR 51 N -3.83 1.59 -3.54 -1.06 -1.04 -0.89 -5.04 114.28 100.47 3jwn n THR 51 Ca -0.02 -0.73 -0.17 0.00 -2.04 0.00 0.00 64.05 61.10 3jwn n THR 51 Cb 0.31 -1.18 -0.06 0.00 -1.82 0.00 0.00 70.33 67.58 3jwn n THR 51 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jwn s ILE 52 N -2.55 0.01 -0.09 12.58 2.07 -0.65 -5.01 121.20 127.56 3jwn s ILE 52 Ca -0.17 -0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.04 3jwn s ILE 52 Cb 0.07 -0.96 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 3jwn s ILE 52 CO 0.77 -0.04 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.68 3jwn s THR 53 N -1.53 2.56 0.08 4.00 2.01 -1.26 -4.18 115.64 117.32 3jwn s THR 53 Ca -0.10 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.07 3jwn s THR 53 Cb -0.01 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3jwn s THR 53 CO 0.07 0.55 0.08 -1.81 -0.69 0.00 0.00 174.62 172.82 3jwn s ASP 54 N 0.05 5.52 0.03 3.53 1.01 -1.16 -1.98 116.67 123.68 3jwn s ASP 54 Ca -0.08 -0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.22 3jwn s ASP 54 Cb -0.15 -1.48 -0.02 0.00 1.01 0.00 0.00 42.92 42.28 3jwn s ASP 54 CO 0.05 0.17 -0.14 -0.31 0.21 0.00 0.00 175.17 175.15 3jwn s TYR 55 N -1.38 1.26 -0.01 4.23 1.51 0.02 -1.03 117.35 121.94 3jwn s TYR 55 Ca 0.29 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.05 3jwn s TYR 55 Cb -0.12 -0.76 -0.00 0.00 -0.11 0.00 0.00 41.96 40.97 3jwn s TYR 55 CO 0.22 0.03 -0.08 0.08 -1.11 0.00 0.00 175.55 174.68 3jwn s VAL 56 N -0.74 0.65 0.27 0.71 1.01 -0.75 -1.65 120.40 119.90 3jwn s VAL 56 Ca 0.03 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.73 3jwn s VAL 56 Cb -0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 3jwn s VAL 56 CO 0.01 0.19 -0.06 0.42 0.00 0.00 0.00 175.10 175.66 3jwn s THR 57 N -0.08 1.57 -0.22 3.92 -4.23 -0.31 -0.39 115.64 115.90 3jwn s THR 57 Ca 0.02 -2.12 -0.09 0.00 -1.18 0.00 0.00 61.69 58.31 3jwn s THR 57 Cb -0.04 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 3jwn s THR 57 CO -0.00 -0.33 0.11 -0.22 -0.54 0.00 0.00 174.62 173.64 3jwn s LEU 58 N -3.41 3.94 0.47 4.79 2.96 -1.26 -1.58 118.68 124.59 3jwn s LEU 58 Ca 0.29 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3jwn s LEU 58 Cb 0.04 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3jwn s LEU 58 CO 0.11 0.11 0.73 -1.10 -1.32 0.00 0.00 176.35 174.87 3jwn s GLN 59 N 0.80 3.22 0.61 1.98 -1.52 0.56 -1.59 119.66 123.71 3jwn s GLN 59 Ca 0.06 -0.18 -0.18 0.00 -1.95 0.00 0.00 55.36 53.10 3jwn s GLN 59 Cb -0.13 -2.47 -0.03 0.00 -0.22 0.00 0.00 33.01 30.16 3jwn s GLN 59 CO 0.02 -0.28 1.22 -0.98 -0.25 0.00 0.00 175.29 175.02 3jwn s ARG 60 N -4.66 2.88 0.00 2.91 1.70 -1.25 -3.15 118.95 117.38 3jwn s ARG 60 Ca 0.48 1.85 0.00 0.00 -0.47 0.00 0.00 55.73 57.59 3jwn s ARG 60 Cb -0.10 -1.91 0.00 0.00 -0.57 0.00 0.00 34.95 32.36 3jwn s ARG 60 CO 0.41 -1.28 0.00 0.41 -1.08 0.00 0.00 175.30 173.76 3jwn n GLY 61 N 0.55 0.99 3.74 3.88 0.00 0.29 -4.93 105.19 109.70 3jwn n GLY 61 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.97 6.74 0.27 1.61 0.01 -1.19 -4.84 113.70 113.34 3jwn s SER 62 Ca 0.00 2.57 -0.13 0.00 1.31 0.00 0.00 55.95 59.70 3jwn s SER 62 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 3jwn s SER 62 CO 0.00 -0.64 0.54 0.00 0.41 0.00 0.00 173.24 173.55 3jwn s ALA 63 N 0.06 -0.32 0.47 1.44 0.00 -0.54 -1.56 121.76 121.32 3jwn s ALA 63 Ca 0.59 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 3jwn s ALA 63 Cb -0.40 1.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 3jwn s ALA 63 CO 0.41 -0.89 1.01 0.71 0.00 0.00 0.00 175.76 177.00 3jwn s TYR 64 N -3.75 3.11 0.09 0.00 4.12 -1.26 -0.09 117.35 119.56 3jwn s TYR 64 Ca 0.21 1.59 0.00 0.00 0.02 0.00 0.00 57.07 58.89 3jwn s TYR 64 Cb -0.02 -2.99 0.00 0.00 -1.52 0.00 0.00 41.96 37.44 3jwn s TYR 64 CO 0.10 -0.58 0.01 0.41 0.02 0.00 0.00 175.55 175.52 3jwn n GLY 65 N -0.40 3.88 7.00 0.71 0.00 0.10 -4.33 105.19 112.15 3jwn n GLY 65 Ca 0.08 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 3.93 2.39 0.24 -0.02 0.00 -1.18 -1.99 105.19 108.56 3jwn n GLY 66 Ca -0.03 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.45 -0.00 1.61 -1.51 -1.93 -2.36 116.25 112.51 3jwn h VAL 67 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 3jwn h VAL 67 Cb 0.00 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3jwn h VAL 67 CO 0.00 0.17 -0.00 0.18 -1.23 0.00 0.00 177.57 176.68 3jwn n LEU 68 N -3.37 0.06 0.29 4.19 4.77 -0.84 -4.45 117.00 117.64 3jwn n LEU 68 Ca -0.00 0.09 0.18 0.00 -0.03 0.00 0.00 56.01 56.25 3jwn n LEU 68 Cb 0.38 -0.11 0.82 0.00 -2.33 0.00 0.00 43.42 42.18 3jwn n LEU 68 CO 0.32 0.01 1.04 0.77 -1.33 0.00 0.00 177.39 178.19 3jwn h SER 69 N 0.08 0.00 0.12 -1.43 4.64 -0.84 -1.97 113.55 114.15 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 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3jwn h SER 69 CO 0.00 0.01 -0.22 -1.54 -0.87 0.00 0.00 176.83 174.22 3jwn n SER 70 N -3.12 1.43 -4.89 4.97 3.41 -1.26 -4.77 113.62 109.38 3jwn n SER 70 Ca -0.00 -1.21 -0.30 0.00 -0.26 0.00 0.00 58.87 57.10 3jwn n SER 70 Cb 0.25 0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.35 3.46 0.20 7.33 0.40 -0.74 -5.11 117.98 121.18 3jwn s PHE 71 Ca 0.27 0.71 0.10 0.00 -0.60 0.00 0.00 56.93 57.41 3jwn s PHE 71 Cb 0.19 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 3jwn s PHE 71 CO 0.47 0.21 -0.21 -1.54 0.70 0.00 0.00 175.22 174.86 3jwn s SER 72 N -2.88 3.16 0.00 1.36 1.04 -1.26 -4.76 113.70 110.35 3jwn s SER 72 Ca 0.45 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3jwn s SER 72 Cb -0.11 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.79 3jwn s SER 72 CO 0.27 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.13 3jwn n GLY 73 N 0.03 2.99 2.98 7.32 0.00 0.68 -1.33 105.19 117.87 3jwn n GLY 73 Ca -0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.44 0.08 -0.11 2.61 -4.23 -1.14 -1.02 115.64 112.27 3jwn s THR 74 Ca 0.00 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 59.78 3jwn s THR 74 Cb 0.00 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 3jwn s THR 74 CO 0.00 -0.38 0.02 0.54 -0.54 0.00 0.00 174.62 174.26 3jwn s VAL 75 N -1.15 4.44 -0.42 2.29 0.11 0.29 -0.50 120.40 125.45 3jwn s VAL 75 Ca -0.13 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 58.63 3jwn s VAL 75 Cb -0.08 -2.91 0.07 0.00 -1.53 0.00 0.00 36.38 31.94 3jwn s VAL 75 CO -0.00 0.57 0.28 -0.75 -3.33 0.00 0.00 175.10 171.87 3jwn s LYS 76 N -0.51 2.73 -0.29 1.54 2.20 0.28 -0.79 119.74 124.89 3jwn s LYS 76 Ca 0.09 -1.37 -0.04 0.00 -0.36 0.00 0.00 55.97 54.29 3jwn s LYS 76 Cb -0.12 -3.86 0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3jwn s LYS 76 CO 0.02 -0.93 0.03 -0.47 -0.36 0.00 0.00 175.35 173.64 3jwn s TYR 77 N 1.50 3.17 -1.46 4.03 5.04 0.13 -1.93 117.35 127.84 3jwn s TYR 77 Ca 0.03 -1.41 -0.11 0.00 -2.44 0.00 0.00 57.07 53.14 3jwn s TYR 77 Cb -0.23 -2.18 0.05 0.00 0.35 0.00 0.00 41.96 39.96 3jwn s TYR 77 CO 0.04 -0.70 1.04 -1.71 -1.34 0.00 0.00 175.55 172.88 3jwn n ASN 78 N 4.75 -5.03 0.00 4.32 5.15 -0.01 -2.31 115.26 122.13 3jwn n ASN 78 Ca -0.14 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 3jwn n ASN 78 Cb 0.46 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 35.41 3jwn n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3jwn n GLY 79 N -1.78 0.74 3.05 8.20 0.00 -1.26 -5.07 105.19 109.07 3jwn n GLY 79 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.13 0.20 -0.15 1.61 0.01 -0.98 -5.15 113.70 107.10 3jwn s SER 80 Ca 0.00 -0.49 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 3jwn s SER 80 Cb 0.00 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 3jwn s SER 80 CO 0.00 -0.40 0.12 -0.44 0.41 0.00 0.00 173.24 172.93 3jwn s SER 81 N -1.76 6.20 0.04 2.44 0.01 -1.26 0.21 113.70 119.57 3jwn s SER 81 Ca -0.11 0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.50 3jwn s SER 81 Cb -0.05 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 3jwn s SER 81 CO -0.02 0.30 -0.06 -0.31 0.41 0.00 0.00 173.24 173.56 3jwn s TYR 82 N -0.40 0.57 0.35 2.43 1.51 0.02 -4.99 117.35 116.85 3jwn s TYR 82 Ca 0.11 -0.57 -0.27 0.00 -1.01 0.00 0.00 57.07 55.34 3jwn s TYR 82 Cb -0.12 -0.36 -0.13 0.00 -0.11 0.00 0.00 41.96 41.25 3jwn s TYR 82 CO 0.01 -0.13 1.03 -2.30 -1.11 0.00 0.00 175.55 173.05 3jwn n PRO 83 N 1.30 1.43 -4.40 -1.71 -0.02 -1.26 -0.55 135.00 129.79 3jwn n PRO 83 Ca -0.22 0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 3jwn n PRO 83 Cb 0.56 -1.97 -0.17 0.00 -0.02 0.00 0.00 33.50 31.90 3jwn n PRO 83 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3jwn s PHE 84 N -1.15 1.23 0.62 6.00 5.36 -0.19 -3.40 117.98 126.44 3jwn s PHE 84 Ca 0.60 -0.44 -0.18 0.00 -0.96 0.00 0.00 56.93 55.94 3jwn s PHE 84 Cb -0.63 -0.95 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 3jwn s PHE 84 CO 0.59 -0.27 1.03 -2.30 -1.46 0.00 0.00 175.22 172.81 3jwn n PRO 85 N 3.97 0.91 -2.43 10.12 -0.02 -1.26 -0.23 135.00 146.07 3jwn n PRO 85 Ca -0.23 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 3jwn n PRO 85 Cb 0.51 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3jwn n PRO 85 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3jwn s THR 86 N -1.50 4.18 -2.20 3.45 -4.23 -0.60 -4.92 115.64 109.82 3jwn s THR 86 Ca 0.78 1.51 0.22 0.00 -1.18 0.00 0.00 61.69 63.01 3jwn s THR 86 Cb -0.41 -3.97 0.52 0.00 1.34 0.00 0.00 72.50 69.98 3jwn s THR 86 CO 0.45 -0.00 1.46 0.35 -0.54 0.00 0.00 174.62 176.34 3jwn n THR 87 N 4.64 0.69 -3.57 3.99 -2.24 -1.26 -0.55 114.28 115.98 3jwn n THR 87 Ca 0.11 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 61.02 3jwn n THR 87 Cb 0.46 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.23 -0.35 0.38 3.42 1.04 -1.26 -4.95 113.70 110.75 3jwn s SER 88 Ca 0.41 -0.14 -0.25 0.00 0.48 0.00 0.00 55.95 56.45 3jwn s SER 88 Cb 0.23 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.73 3jwn s SER 88 CO 0.30 -0.80 1.10 -0.70 0.98 0.00 0.00 173.24 174.13 3jwn s GLU 89 N -3.32 4.20 0.52 4.02 2.12 -1.26 -3.77 118.70 121.21 3jwn s GLU 89 Ca 0.06 1.68 -0.02 0.00 0.36 0.00 0.00 54.97 57.05 3jwn s GLU 89 Cb -0.01 -2.70 0.01 0.00 0.26 0.00 0.00 34.13 31.68 3jwn s GLU 89 CO -0.06 -0.15 0.78 -0.08 -0.54 0.00 0.00 175.26 175.22 3jwn s THR 90 N -1.48 3.66 0.86 -1.70 -1.32 -0.62 -4.99 115.64 110.05 3jwn s THR 90 Ca 0.55 -0.32 -0.10 0.00 -1.21 0.00 0.00 61.69 60.61 3jwn s THR 90 Cb -0.27 -3.40 0.11 0.00 -1.51 0.00 0.00 72.50 67.43 3jwn s THR 90 CO 0.34 -0.34 1.12 -2.84 -2.21 0.00 0.00 174.62 170.69 3jwn s PRO 91 N -4.77 1.49 0.44 7.08 0.02 -1.26 -4.64 135.00 133.36 3jwn s PRO 91 Ca 0.52 1.34 -0.03 0.00 0.02 0.00 0.00 61.00 62.84 3jwn s PRO 91 Cb -0.10 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3jwn s PRO 91 CO 0.41 -2.24 0.70 -0.98 -0.33 0.00 0.00 177.00 174.57 3jwn s ARG 92 N -4.76 3.51 -0.14 5.54 1.70 -1.26 -4.64 118.95 118.89 3jwn s ARG 92 Ca 0.64 0.01 -0.02 0.00 -0.47 0.00 0.00 55.73 55.89 3jwn s ARG 92 Cb -0.20 -2.47 -0.02 0.00 -0.57 0.00 0.00 34.95 31.68 3jwn s ARG 92 CO 0.57 -0.09 -0.09 0.08 -1.08 0.00 0.00 175.30 174.70 3jwn s VAL 93 N -2.60 3.44 0.04 4.99 1.01 0.47 -4.92 120.40 122.83 3jwn s VAL 93 Ca 0.45 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 3jwn s VAL 93 Cb -0.10 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 3jwn s VAL 93 CO 0.42 0.51 0.60 0.68 0.00 0.00 0.00 175.10 177.31 3jwn s VAL 94 N 0.33 4.79 -0.32 2.92 -7.23 -1.26 -1.81 120.40 117.82 3jwn s VAL 94 Ca -0.08 1.27 0.03 0.00 -1.81 0.00 0.00 61.98 61.39 3jwn s VAL 94 Cb -0.15 -3.93 0.09 0.00 0.56 0.00 0.00 36.38 32.95 3jwn s VAL 94 CO 0.04 0.49 0.03 -0.31 -0.31 0.00 0.00 175.10 175.05 3jwn s TYR 95 N -0.69 3.45 -0.27 2.82 1.51 -0.20 -4.99 117.35 118.98 3jwn s TYR 95 Ca 0.30 -2.75 0.17 0.00 -1.01 0.00 0.00 57.07 53.78 3jwn s TYR 95 Cb -0.19 -2.63 0.49 0.00 -0.11 0.00 0.00 41.96 39.51 3jwn s TYR 95 CO 0.19 -0.93 1.14 0.27 -1.11 0.00 0.00 175.55 175.11 3jwn n ASN 96 N 4.35 2.91 -3.57 2.29 0.23 -1.26 -2.97 115.26 117.23 3jwn n ASN 96 Ca 0.01 -2.72 -0.16 0.00 -0.53 0.00 0.00 54.58 51.17 3jwn n ASN 96 Cb 0.42 -0.43 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 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 -3.72 -0.65 0.27 0.53 0.15 -1.26 -4.85 113.70 104.18 3jwn s SER 97 Ca 0.37 0.88 0.06 0.00 0.70 0.00 0.00 55.95 57.96 3jwn s SER 97 Cb 0.36 0.79 0.35 0.00 -1.71 0.00 0.00 66.02 65.81 3jwn s SER 97 CO -0.01 -0.48 1.63 0.03 1.20 0.00 0.00 173.24 175.61 3jwn h ARG 98 N 3.69 0.23 -6.73 5.44 3.08 -1.86 0.20 114.38 118.44 3jwn h ARG 98 Ca -0.28 -0.13 -0.53 0.00 0.07 0.00 0.00 59.98 59.11 3jwn h ARG 98 Cb 1.15 0.01 0.06 0.00 0.08 0.00 0.00 29.97 31.27 3jwn h ARG 98 CO 0.29 0.69 0.85 0.99 -1.07 0.00 0.00 179.97 181.72 3jwn s THR 99 N -3.94 2.41 0.79 2.04 2.01 -1.26 -4.61 115.64 113.08 3jwn s THR 99 Ca -0.04 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 3jwn s THR 99 Cb 0.13 -3.21 0.07 0.00 0.01 0.00 0.00 72.50 69.50 3jwn s THR 99 CO 0.78 0.04 1.14 -1.81 -0.69 0.00 0.00 174.62 174.09 3jwn s ASP 100 N 0.64 4.01 -0.18 3.53 -0.00 -1.26 -4.70 116.67 118.71 3jwn s ASP 100 Ca 0.64 2.10 -0.18 0.00 -0.00 0.00 0.00 52.55 55.11 3jwn s ASP 100 Cb -0.45 -2.56 0.05 0.00 -0.00 0.00 0.00 42.92 39.96 3jwn s ASP 100 CO 0.41 -2.37 0.50 -0.75 -0.00 0.00 0.00 175.17 172.96 3jwn s LYS 101 N -4.46 0.61 0.61 8.23 2.20 -0.47 -4.95 119.74 121.51 3jwn s LYS 101 Ca 0.67 0.66 -0.19 0.00 -0.36 0.00 0.00 55.97 56.75 3jwn s LYS 101 Cb -0.22 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 3jwn s LYS 101 CO 0.52 -0.08 1.26 -2.14 -0.36 0.00 0.00 175.35 174.55 3jwn s PRO 102 N 0.17 2.79 -0.65 4.03 0.02 -1.26 -0.46 135.00 139.64 3jwn s PRO 102 Ca -0.01 1.97 -0.27 0.00 0.02 0.00 0.00 61.00 62.70 3jwn s PRO 102 Cb -0.03 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.59 3jwn s PRO 102 CO 0.01 -1.38 1.32 -0.46 -0.33 0.00 0.00 177.00 176.16 3jwn s TRP 103 N -1.48 2.33 -1.17 6.54 -0.00 -0.55 -4.73 118.94 119.88 3jwn s TRP 103 Ca 0.79 0.24 -0.18 0.00 -0.00 0.00 0.00 56.10 56.95 3jwn s TRP 103 Cb -0.34 -4.52 -0.04 0.00 -0.00 0.00 0.00 33.47 28.57 3jwn s TRP 103 CO 0.37 -1.94 2.05 -0.35 -0.00 0.00 0.00 176.95 177.09 3jwn n PRO 104 N 8.96 2.30 -4.75 5.86 -0.04 -1.26 -3.44 135.00 142.63 3jwn n PRO 104 Ca 0.07 -2.38 -0.25 0.00 -0.04 0.00 0.00 63.50 60.91 3jwn n PRO 104 Cb 0.49 -3.20 -0.16 0.00 -0.04 0.00 0.00 33.50 30.59 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 4.49 1.31 -0.02 0.52 1.01 -1.26 -0.83 120.40 125.62 3jwn s VAL 105 Ca 0.53 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3jwn s VAL 105 Cb 0.12 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3jwn s VAL 105 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.50 3jwn s ALA 106 N 0.02 0.25 -0.20 5.51 0.00 -0.81 -1.33 121.76 125.20 3jwn s ALA 106 Ca -0.03 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 3jwn s ALA 106 Cb -0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3jwn s ALA 106 CO 0.02 -0.06 0.12 -0.51 0.00 0.00 0.00 175.76 175.33 3jwn s LEU 107 N 0.88 4.11 0.35 0.00 1.43 -0.69 -0.56 118.68 124.20 3jwn s LEU 107 Ca -0.08 0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 3jwn s LEU 107 Cb -0.12 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 3jwn s LEU 107 CO -0.02 0.16 -0.06 -0.31 0.23 0.00 0.00 176.35 176.35 3jwn s TYR 108 N 0.47 2.36 0.02 0.29 1.51 0.34 -0.82 117.35 121.53 3jwn s TYR 108 Ca 0.07 -0.58 0.08 0.00 -1.01 0.00 0.00 57.07 55.63 3jwn s TYR 108 Cb -0.12 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 3jwn s TYR 108 CO -0.01 0.50 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.52 3jwn s LEU 109 N -3.61 2.12 -0.21 -1.29 2.96 0.71 -2.87 118.68 116.49 3jwn s LEU 109 Ca 0.33 -0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 53.46 3jwn s LEU 109 Cb 0.05 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.56 3jwn s LEU 109 CO 0.16 0.25 0.97 -0.89 -1.32 0.00 0.00 176.35 175.52 3jwn s THR 110 N -0.70 4.74 0.15 3.68 2.01 -0.44 -1.82 115.64 123.27 3jwn s THR 110 Ca 0.10 1.90 -0.31 0.00 0.31 0.00 0.00 61.69 63.68 3jwn s THR 110 Cb -0.09 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.06 3jwn s THR 110 CO 0.01 -0.12 1.69 -2.16 -0.69 0.00 0.00 174.62 173.36 3jwn s PRO 111 N 2.88 4.16 0.00 4.92 0.04 -1.26 -4.88 135.00 140.86 3jwn s PRO 111 Ca 0.42 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.95 3jwn s PRO 111 Cb -0.16 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3jwn s PRO 111 CO 0.08 -0.73 0.67 1.33 0.04 0.00 0.00 177.00 178.39 3jwn n VAL 112 N 4.28 0.39 -4.04 -0.36 0.24 0.69 -4.92 118.33 114.61 3jwn n VAL 112 Ca 0.16 -0.65 -0.03 0.00 -2.04 0.00 0.00 64.34 61.78 3jwn n VAL 112 Cb 0.38 0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 33.59 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 -0.20 -0.03 -0.11 -1.34 3.41 -0.87 -5.01 113.62 109.47 3jwn n SER 113 Ca 0.00 -1.28 -0.25 0.00 -0.26 0.00 0.00 58.87 57.09 3jwn n SER 113 Cb 0.13 0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.79 1.92 -1.24 4.04 7.64 -1.26 -3.48 113.62 118.45 3jwn n SER 114 Ca 0.01 0.36 -0.02 0.00 1.01 0.00 0.00 58.87 60.23 3jwn n SER 114 Cb 0.08 -0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 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 -3.69 3.08 -1.30 -0.43 0.00 -1.26 -0.94 120.51 115.97 3jwn n ALA 115 Ca -0.41 -1.50 -0.16 0.00 0.00 0.00 0.00 53.44 51.37 3jwn n ALA 115 Cb 0.79 -0.53 0.19 0.00 0.00 0.00 0.00 19.45 19.90 3jwn n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jwn n GLY 116 N 0.24 -2.24 3.55 0.00 0.00 -1.26 -4.84 105.19 100.64 3jwn n GLY 116 Ca -0.11 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 3jwn n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jwn s GLY 117 N -4.53 -0.34 -0.08 -0.02 0.00 -1.26 -1.97 107.32 99.11 3jwn s GLY 117 Ca 0.58 1.55 0.04 0.00 0.00 0.00 0.00 44.72 46.89 3jwn s GLY 117 CO 0.43 0.65 -0.20 0.14 0.00 0.00 0.00 173.10 174.11 3jwn s VAL 118 N -2.20 1.75 -0.13 1.40 1.01 -0.46 -4.93 120.40 116.84 3jwn s VAL 118 Ca 0.04 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 3jwn s VAL 118 Cb -0.01 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3jwn s VAL 118 CO -0.04 0.49 0.89 0.00 0.00 0.00 0.00 175.10 176.44 3jwn s ALA 119 N 0.36 3.44 -0.27 5.51 0.00 -1.26 -0.97 121.76 128.57 3jwn s ALA 119 Ca -0.15 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 3jwn s ALA 119 Cb -0.16 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3jwn s ALA 119 CO 0.07 -0.56 0.06 0.42 0.00 0.00 0.00 175.76 175.74 3jwn s ILE 120 N 1.92 3.98 0.10 0.00 -1.09 0.10 -4.96 121.20 121.26 3jwn s ILE 120 Ca 0.43 -0.48 -0.13 0.00 -2.23 0.00 0.00 60.65 58.24 3jwn s ILE 120 Cb -0.17 -2.95 -0.06 0.00 -1.58 0.00 0.00 42.46 37.70 3jwn s ILE 120 CO 0.16 0.23 0.49 -1.59 -1.23 0.00 0.00 174.94 173.00 3jwn s LYS 121 N 1.54 3.92 0.25 2.79 -2.85 -1.26 -0.65 119.74 123.47 3jwn s LYS 121 Ca 0.04 0.41 -0.28 0.00 -1.00 0.00 0.00 55.97 55.14 3jwn s LYS 121 Cb -0.16 -3.01 -0.15 0.00 -2.06 0.00 0.00 37.83 32.45 3jwn s LYS 121 CO 0.02 0.54 0.81 0.00 0.10 0.00 0.00 175.35 176.82 3jwn n ALA 122 N 1.02 -1.32 -0.56 0.59 0.00 -1.21 -2.05 120.51 116.97 3jwn n ALA 122 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3jwn n ALA 122 Cb 0.52 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.55 0.77 3.87 0.00 0.00 0.21 -4.98 105.19 106.61 3jwn n GLY 123 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3jwn n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jwn s SER 124 N -2.75 6.61 -0.13 1.61 0.01 -0.87 -4.82 113.70 113.37 3jwn s SER 124 Ca 0.00 0.78 -0.29 0.00 1.31 0.00 0.00 55.95 57.75 3jwn s SER 124 Cb 0.00 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 3jwn s SER 124 CO 0.00 0.09 1.31 -0.22 0.41 0.00 0.00 173.24 174.83 3jwn s LEU 125 N -2.28 4.22 -0.21 2.44 2.96 -1.26 -1.06 118.68 123.48 3jwn s LEU 125 Ca 0.38 1.80 -0.20 0.00 -0.22 0.00 0.00 54.13 55.89 3jwn s LEU 125 Cb -0.13 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.85 3jwn s LEU 125 CO 0.20 -0.76 0.13 -0.38 -1.32 0.00 0.00 176.35 174.23 3jwn n ILE 126 N 5.24 1.53 -3.70 6.68 5.41 0.18 -3.09 119.36 131.62 3jwn n ILE 126 Ca 0.14 -0.04 -0.14 0.00 1.00 0.00 0.00 62.75 63.71 3jwn n ILE 126 Cb 0.45 -2.05 -0.08 0.00 -0.71 0.00 0.00 39.64 37.25 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 -2.40 -1.01 -0.32 -1.39 0.00 -1.18 0.02 121.76 115.47 3jwn s ALA 127 Ca -0.29 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.14 3jwn s ALA 127 Cb 0.06 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.33 3jwn s ALA 127 CO 0.56 -0.31 0.06 0.08 0.00 0.00 0.00 175.76 176.15 3jwn s VAL 128 N -1.49 3.48 -0.20 0.00 1.01 0.87 -0.06 120.40 124.02 3jwn s VAL 128 Ca -0.12 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.62 3jwn s VAL 128 Cb -0.03 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3jwn s VAL 128 CO 0.04 -0.13 -0.04 -0.76 0.00 0.00 0.00 175.10 174.21 3jwn s LEU 129 N 1.35 3.04 -0.25 3.92 1.43 -0.42 -1.46 118.68 126.29 3jwn s LEU 129 Ca -0.03 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3jwn s LEU 129 Cb -0.19 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3jwn s LEU 129 CO 0.01 0.05 0.31 -0.63 0.23 0.00 0.00 176.35 176.32 3jwn s ILE 130 N 1.05 5.24 0.03 -0.59 1.01 -1.26 0.07 121.20 126.75 3jwn s ILE 130 Ca 0.01 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.17 3jwn s ILE 130 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3jwn s ILE 130 CO 0.00 0.24 -0.08 -0.76 0.00 0.00 0.00 174.94 174.34 3jwn s LEU 131 N 1.60 3.12 -0.15 2.97 1.02 0.21 -0.32 118.68 127.12 3jwn s LEU 131 Ca 0.13 -0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.08 3jwn s LEU 131 Cb -0.15 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.26 3jwn s LEU 131 CO 0.08 0.26 -0.17 -0.60 0.02 0.00 0.00 176.35 175.94 3jwn s ARG 132 N -1.61 2.57 -0.05 1.70 3.52 -0.61 -1.50 118.95 122.96 3jwn s ARG 132 Ca 0.18 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 3jwn s ARG 132 Cb -0.11 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 3jwn s ARG 132 CO 0.09 -0.19 -0.08 -1.14 -0.81 0.00 0.00 175.30 173.17 3jwn s GLN 133 N 1.31 2.66 0.32 5.12 0.74 0.40 -1.16 119.66 129.04 3jwn s GLN 133 Ca 0.03 -0.61 0.03 0.00 0.05 0.00 0.00 55.36 54.86 3jwn s GLN 133 Cb -0.13 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.42 3jwn s GLN 133 CO -0.10 0.65 0.33 0.95 -0.55 0.00 0.00 175.29 176.57 3jwn s THR 134 N -0.83 0.00 0.31 -0.34 -4.23 -0.66 -1.61 115.64 108.28 3jwn s THR 134 Ca 0.13 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 3jwn s THR 134 Cb -0.11 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 3jwn s THR 134 CO 0.02 0.00 0.33 0.54 -0.54 0.00 0.00 174.62 174.97 3jwn s ASN 135 N -3.30 1.13 -0.01 3.99 2.20 -1.26 -0.80 114.94 116.89 3jwn s ASN 135 Ca 0.37 -1.58 0.19 0.00 -0.94 0.00 0.00 52.86 50.90 3jwn s ASN 135 Cb 0.02 0.57 0.56 0.00 -2.00 0.00 0.00 41.25 40.40 3jwn s ASN 135 CO 0.23 -1.11 1.47 -0.46 -2.94 0.00 0.00 177.10 174.29 3jwn n ASN 136 N -1.27 3.76 -0.08 3.54 6.94 -0.83 -4.53 115.26 122.79 3jwn n ASN 136 Ca 0.04 -2.06 -0.07 0.00 -0.02 0.00 0.00 54.58 52.48 3jwn n ASN 136 Cb 0.63 -0.43 -0.02 0.00 -2.36 0.00 0.00 39.78 37.59 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 1.27 0.49 -3.89 -2.53 9.36 -1.26 -4.95 117.16 115.65 3jwn n TYR 137 Ca 0.21 0.21 -0.02 0.00 3.32 0.00 0.00 57.90 61.62 3jwn n TYR 137 Cb 0.60 -0.65 -0.00 0.00 -0.63 0.00 0.00 39.34 38.66 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 -4.54 1.79 -1.17 2.98 0.23 -1.26 -5.06 115.26 108.22 3jwn n ASN 138 Ca -0.11 -1.15 0.05 0.00 -0.53 0.00 0.00 54.58 52.85 3jwn n ASN 138 Cb 0.39 0.02 0.28 0.00 -2.08 0.00 0.00 39.78 38.38 3jwn n ASN 138 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3jwn n SER 139 N -1.32 4.07 -4.77 0.53 7.64 -1.26 -4.57 113.62 113.93 3jwn n SER 139 Ca -0.01 -3.12 -0.37 0.00 1.01 0.00 0.00 58.87 56.37 3jwn n SER 139 Cb 0.04 -0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 62.64 3jwn n SER 139 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3jwn s ASP 140 N -1.77 6.18 0.01 6.43 -0.00 -1.26 -5.04 116.67 121.22 3jwn s ASP 140 Ca 0.46 2.35 0.01 0.00 -0.00 0.00 0.00 52.55 55.36 3jwn s ASP 140 Cb 0.37 -2.61 -0.01 0.00 -0.00 0.00 0.00 42.92 40.67 3jwn s ASP 140 CO 0.09 -0.92 -0.04 1.51 -0.00 0.00 0.00 175.17 175.82 3jwn s ASP 141 N -1.28 0.41 0.05 0.27 -4.77 -1.26 -4.20 116.67 105.88 3jwn s ASP 141 Ca 0.63 -0.25 -0.05 0.00 -3.30 0.00 0.00 52.55 49.57 3jwn s ASP 141 Cb -0.30 0.01 -0.01 0.00 -1.09 0.00 0.00 42.92 41.53 3jwn s ASP 141 CO 0.36 -0.09 0.09 0.72 0.70 0.00 0.00 175.17 176.95 3jwn s PHE 142 N -0.64 0.24 0.18 2.11 -0.12 -0.64 -4.98 117.98 114.13 3jwn s PHE 142 Ca -0.05 -0.59 0.11 0.00 -0.05 0.00 0.00 56.93 56.35 3jwn s PHE 142 Cb -0.05 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3jwn s PHE 142 CO -0.00 -0.39 -0.24 -0.65 -0.05 0.00 0.00 175.22 173.89 3jwn s GLN 143 N -2.92 1.50 0.11 1.99 -0.21 -1.26 -0.46 119.66 118.41 3jwn s GLN 143 Ca -0.02 -1.49 -0.19 0.00 0.02 0.00 0.00 55.36 53.68 3jwn s GLN 143 Cb 0.01 -1.86 0.05 0.00 1.00 0.00 0.00 33.01 32.20 3jwn s GLN 143 CO -0.06 0.41 0.47 -0.59 -2.12 0.00 0.00 175.29 173.40 3jwn s PHE 144 N -1.55 -0.33 -0.09 0.91 -0.12 -0.56 -4.41 117.98 111.83 3jwn s PHE 144 Ca 0.19 0.14 -0.02 0.00 -0.05 0.00 0.00 56.93 57.19 3jwn s PHE 144 Cb -0.08 0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 3jwn s PHE 144 CO 0.09 -0.71 0.01 0.08 -0.05 0.00 0.00 175.22 174.65 3jwn s VAL 145 N -3.36 4.42 -0.35 -2.49 1.01 0.43 -0.62 120.40 119.44 3jwn s VAL 145 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 3jwn s VAL 145 Cb 0.00 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.58 3jwn s VAL 145 CO -0.09 0.61 0.10 0.26 0.00 0.00 0.00 175.10 175.97 3jwn s TRP 146 N -0.88 3.36 -0.39 5.22 0.51 0.11 -1.14 118.94 125.74 3jwn s TRP 146 Ca 0.13 -1.92 -0.29 0.00 -2.12 0.00 0.00 56.10 51.91 3jwn s TRP 146 Cb -0.11 -2.53 0.02 0.00 -0.81 0.00 0.00 33.47 30.04 3jwn s TRP 146 CO 0.02 -0.84 1.10 -0.80 -0.51 0.00 0.00 176.95 175.93 3jwn s ASN 147 N 1.51 6.80 -0.25 2.95 0.01 0.30 -1.31 114.94 124.94 3jwn s ASN 147 Ca 0.00 0.79 -0.21 0.00 -0.71 0.00 0.00 52.86 52.73 3jwn s ASN 147 Cb -0.21 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.89 3jwn s ASN 147 CO -0.01 -1.05 0.66 -0.63 -1.51 0.00 0.00 177.10 174.57 3jwn s ILE 148 N 4.01 4.96 0.08 0.60 -1.09 0.91 -0.37 121.20 130.30 3jwn s ILE 148 Ca 0.47 1.21 0.06 0.00 -2.23 0.00 0.00 60.65 60.16 3jwn s ILE 148 Cb -0.10 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 3jwn s ILE 148 CO 0.23 0.01 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.55 3jwn s TYR 149 N 2.53 2.78 0.07 3.97 1.51 0.38 0.52 117.35 129.11 3jwn s TYR 149 Ca 0.28 -0.13 -0.22 0.00 -1.01 0.00 0.00 57.07 55.99 3jwn s TYR 149 Cb -0.15 -1.48 -0.06 0.00 -0.11 0.00 0.00 41.96 40.15 3jwn s TYR 149 CO 0.08 0.41 0.66 0.00 -1.11 0.00 0.00 175.55 175.59 3jwn s ALA 150 N -1.16 3.50 -0.02 3.71 0.00 -0.23 0.06 121.76 127.62 3jwn s ALA 150 Ca 0.20 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.13 3jwn s ALA 150 Cb -0.11 -2.80 -0.33 0.00 0.00 0.00 0.00 23.12 19.88 3jwn s ALA 150 CO 0.12 0.26 0.92 -0.91 0.00 0.00 0.00 175.76 176.15 3jwn h ASN 151 N 4.95 0.64 -2.47 0.00 2.35 -1.04 0.62 115.58 120.62 3jwn h ASN 151 Ca -0.47 -0.94 -0.58 0.00 -0.55 0.00 0.00 56.30 53.76 3jwn h ASN 151 Cb 1.21 -0.21 -0.11 0.00 0.05 0.00 0.00 38.32 39.26 3jwn h ASN 151 CO 0.67 1.56 -0.67 0.54 -1.65 0.00 0.00 177.43 177.87 3jwn s ASN 152 N -7.26 4.45 0.24 5.81 4.22 -1.26 -4.50 114.94 116.63 3jwn s ASN 152 Ca -0.12 -0.62 -0.30 0.00 -2.14 0.00 0.00 52.86 49.68 3jwn s ASN 152 Cb 0.03 -0.80 -0.09 0.00 1.28 0.00 0.00 41.25 41.66 3jwn s ASN 152 CO 0.88 0.04 1.22 -1.81 -2.04 0.00 0.00 177.10 175.39 3jwn s ASP 153 N -3.38 7.02 0.15 3.54 -0.00 -1.26 -3.34 116.67 119.40 3jwn s ASP 153 Ca 0.29 2.37 -0.23 0.00 -0.00 0.00 0.00 52.55 54.97 3jwn s ASP 153 Cb -0.07 -2.62 0.07 0.00 -0.00 0.00 0.00 42.92 40.30 3jwn s ASP 153 CO 0.18 -0.39 0.61 0.54 -0.00 0.00 0.00 175.17 176.11 3jwn s VAL 154 N -0.45 0.00 -0.19 -1.27 0.11 0.17 -4.94 120.40 113.84 3jwn s VAL 154 Ca 0.51 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.55 3jwn s VAL 154 Cb -0.35 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.50 3jwn s VAL 154 CO 0.41 0.00 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.37 3jwn s VAL 155 N -3.62 2.84 -0.31 2.04 1.01 -1.26 0.03 120.40 121.13 3jwn s VAL 155 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 3jwn s VAL 155 Cb -0.01 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3jwn s VAL 155 CO -0.12 0.48 0.57 -0.69 0.00 0.00 0.00 175.10 175.35 3jwn s VAL 156 N 1.16 4.98 0.42 2.92 1.01 -0.15 -4.78 120.40 125.97 3jwn s VAL 156 Ca 0.01 0.72 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 3jwn s VAL 156 Cb -0.14 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 3jwn s VAL 156 CO -0.04 -0.12 1.19 -2.16 0.00 0.00 0.00 175.10 173.98 3jwn s PRO 157 N 2.50 3.92 0.00 2.72 0.04 -1.26 -1.35 135.00 141.57 3jwn s PRO 157 Ca 0.23 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.19 3jwn s PRO 157 Cb -0.15 -2.59 0.06 0.00 0.04 0.00 0.00 34.50 31.86 3jwn s PRO 157 CO 0.12 -0.44 0.79 2.41 0.04 0.00 0.00 177.00 179.92 3jwn n THR 158 N -0.12 0.34 -3.38 1.26 -1.04 -0.83 -4.88 114.28 105.63 3jwn n THR 158 Ca 0.05 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.39 3jwn n THR 158 Cb 0.46 0.89 0.00 0.00 -1.82 0.00 0.00 70.33 69.86 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 0.12 3.99 0.17 3.41 0.00 -1.26 -0.22 105.19 111.40 3jwn n GLY 159 Ca 0.03 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.77 3jwn n GLY 159 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jwn h GLY 160 N 0.00 0.00 -2.59 -0.02 0.00 -1.54 -3.47 103.07 95.46 3jwn h GLY 160 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 3jwn h GLY 160 CO 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 176.54 175.82 3jwn s ASP 162 N -3.29 0.36 0.14 0.00 2.15 -0.10 -4.33 116.67 111.60 3jwn s ASP 162 Ca 0.22 -1.27 0.09 0.00 0.43 0.00 0.00 52.55 52.02 3jwn s ASP 162 Cb 0.01 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.89 3jwn s ASP 162 CO 0.06 -0.75 -0.21 0.68 -0.17 0.00 0.00 175.17 174.77 3jwn s VAL 163 N -4.04 1.91 0.39 1.11 -7.23 -1.26 -2.00 120.40 109.27 3jwn s VAL 163 Ca 0.29 -1.76 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 3jwn s VAL 163 Cb 0.07 -1.79 0.26 0.00 0.56 0.00 0.00 36.38 35.49 3jwn s VAL 163 CO 0.06 -0.13 2.04 0.77 -0.31 0.00 0.00 175.10 177.52 3jwn h SER 164 N 3.66 0.56 -5.08 4.85 4.64 -1.69 -3.45 113.55 117.05 3jwn h SER 164 Ca -0.46 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3jwn h SER 164 Cb 1.19 -0.14 -0.12 0.00 -0.31 0.00 0.00 62.40 63.02 3jwn h SER 164 CO 0.44 0.42 -0.02 0.00 -0.87 0.00 0.00 176.83 176.80 3jwn s ALA 165 N -5.55 -0.94 -1.18 5.18 0.00 -1.26 -5.04 121.76 112.96 3jwn s ALA 165 Ca -0.09 -0.11 0.11 0.00 0.00 0.00 0.00 51.96 51.87 3jwn s ALA 165 Cb 0.17 0.78 0.03 0.00 0.00 0.00 0.00 23.12 24.10 3jwn s ALA 165 CO 0.74 -0.72 0.74 0.54 0.00 0.00 0.00 175.76 177.07 3jwn n ARG 166 N -0.28 1.56 -3.71 0.00 1.74 -1.26 -4.92 116.66 109.79 3jwn n ARG 166 Ca -0.13 -0.83 -0.13 0.00 -0.77 0.00 0.00 57.85 55.99 3jwn n ARG 166 Cb 0.63 -1.16 -0.14 0.00 -1.02 0.00 0.00 32.46 30.78 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 -1.31 0.02 -0.03 0.55 1.01 -1.26 -5.11 116.67 110.54 3jwn s ASP 167 Ca 0.11 0.45 -0.05 0.00 0.71 0.00 0.00 52.55 53.76 3jwn s ASP 167 Cb 0.09 0.38 -0.02 0.00 1.01 0.00 0.00 42.92 44.38 3jwn s ASP 167 CO 0.24 -0.18 -0.10 0.52 0.21 0.00 0.00 175.17 175.85 3jwn n VAL 168 N 4.55 0.73 -1.45 -1.27 0.31 -1.26 -5.14 118.33 114.80 3jwn n VAL 168 Ca -0.20 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3jwn n VAL 168 Cb 0.52 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 3jwn n VAL 168 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3jwn n THR 169 N -3.31 -8.32 -3.77 2.52 -1.04 -1.26 -5.09 114.28 94.00 3jwn n THR 169 Ca -0.04 2.14 -0.13 0.00 -2.04 0.00 0.00 64.05 63.98 3jwn n THR 169 Cb 0.15 -3.92 -0.13 0.00 -1.82 0.00 0.00 70.33 64.60 3jwn n THR 169 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3jwn s VAL 170 N -0.66 -0.03 -0.27 12.58 1.01 -1.26 -5.04 120.40 126.73 3jwn s VAL 170 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 3jwn s VAL 170 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3jwn s VAL 170 CO 0.00 0.04 0.13 -0.89 0.00 0.00 0.00 175.10 174.38 3jwn s THR 171 N 0.75 4.77 0.60 3.92 2.01 -1.26 -5.09 115.64 121.35 3jwn s THR 171 Ca -0.06 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.72 3jwn s THR 171 Cb -0.07 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 3jwn s THR 171 CO -0.04 0.27 1.12 -0.76 -0.69 0.00 0.00 174.62 174.52 3jwn s LEU 172 N 1.68 3.56 0.79 4.42 1.43 -1.26 -4.84 118.68 124.45 3jwn s LEU 172 Ca 0.06 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.14 3jwn s LEU 172 Cb -0.16 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 41.57 3jwn s LEU 172 CO 0.07 -1.44 1.09 -2.16 0.23 0.00 0.00 176.35 174.15 3jwn s PRO 173 N -3.71 2.09 0.58 1.29 0.04 -1.26 -4.97 135.00 129.06 3jwn s PRO 173 Ca 0.70 1.14 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 3jwn s PRO 173 Cb -0.22 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3jwn s PRO 173 CO 0.35 -1.75 1.05 -0.25 0.04 0.00 0.00 177.00 176.43 3jwn n ASP 174 N -3.59 1.17 -4.67 6.66 10.43 -1.26 -4.55 116.55 120.73 3jwn n ASP 174 Ca 0.09 0.85 -0.45 0.00 2.57 0.00 0.00 54.79 57.85 3jwn n ASP 174 Cb 0.53 -1.42 -0.03 0.00 1.84 0.00 0.00 41.12 42.04 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 -1.53 2.21 -3.04 1.24 9.36 -1.26 -4.08 117.16 120.07 3jwn n TYR 175 Ca 0.13 0.39 -0.22 0.00 3.32 0.00 0.00 57.90 61.52 3jwn n TYR 175 Cb 0.46 -2.48 0.01 0.00 -0.63 0.00 0.00 39.34 36.70 3jwn n TYR 175 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3jwn s PRO 176 N -0.08 3.02 0.00 2.98 0.04 -1.26 -5.20 135.00 134.50 3jwn s PRO 176 Ca 0.71 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.13 3jwn s PRO 176 Cb -0.65 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3jwn s PRO 176 CO 0.47 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.66 3jwn n GLY 177 N -2.02 -2.26 3.35 0.56 0.00 -1.26 -4.96 105.19 98.60 3jwn n GLY 177 Ca 0.02 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.51 -0.35 0.03 1.61 1.04 -1.26 -3.82 113.70 109.44 3jwn s SER 178 Ca 0.00 0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.62 3jwn s SER 178 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3jwn s SER 178 CO 0.00 -0.64 -0.14 0.68 0.98 0.00 0.00 173.24 174.12 3jwn s VAL 179 N -2.15 1.14 0.39 5.02 -7.23 -0.69 -4.69 120.40 112.19 3jwn s VAL 179 Ca -0.07 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.92 3jwn s VAL 179 Cb -0.01 -1.02 -0.10 0.00 0.56 0.00 0.00 36.38 35.81 3jwn s VAL 179 CO 0.00 0.06 0.99 -2.16 -0.31 0.00 0.00 175.10 173.68 3jwn s PRO 180 N -1.02 4.29 -0.31 4.82 0.04 -1.26 0.44 135.00 142.00 3jwn s PRO 180 Ca 0.02 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 3jwn s PRO 180 Cb -0.07 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 3jwn s PRO 180 CO 0.01 0.00 0.20 0.42 0.04 0.00 0.00 177.00 177.67 3jwn s ILE 181 N -1.82 5.11 -0.92 0.56 1.01 0.36 -4.84 121.20 120.65 3jwn s ILE 181 Ca 0.57 -0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.84 3jwn s ILE 181 Cb -0.17 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3jwn s ILE 181 CO 0.21 0.10 1.58 -2.16 0.00 0.00 0.00 174.94 174.68 3jwn s PRO 182 N 1.71 3.20 -0.06 2.79 0.04 -1.26 -4.42 135.00 137.00 3jwn s PRO 182 Ca 0.06 -0.66 0.01 0.00 0.04 0.00 0.00 61.00 60.45 3jwn s PRO 182 Cb -0.17 -5.05 0.02 0.00 0.04 0.00 0.00 34.50 29.34 3jwn s PRO 182 CO 0.09 -2.54 -0.08 -0.51 0.04 0.00 0.00 177.00 174.00 3jwn s LEU 183 N 6.70 1.45 0.08 -3.56 1.43 -1.26 -4.91 118.68 118.60 3jwn s LEU 183 Ca 0.52 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3jwn s LEU 183 Cb -0.04 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 3jwn s LEU 183 CO -0.02 -0.02 -0.09 0.28 0.23 0.00 0.00 176.35 176.72 3jwn s THR 184 N 0.86 0.83 -0.04 5.49 -1.32 -1.26 -2.19 115.64 118.00 3jwn s THR 184 Ca -0.12 -1.51 -0.04 0.00 -1.21 0.00 0.00 61.69 58.82 3jwn s THR 184 Cb -0.15 -1.19 0.01 0.00 -1.51 0.00 0.00 72.50 69.66 3jwn s THR 184 CO 0.01 -0.52 0.11 -0.69 -2.21 0.00 0.00 174.62 171.32 3jwn s VAL 185 N -2.22 -0.00 0.06 5.08 1.01 -0.10 -1.56 120.40 122.67 3jwn s VAL 185 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3jwn s VAL 185 Cb -0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3jwn s VAL 185 CO -0.00 0.00 -0.05 -0.72 0.00 0.00 0.00 175.10 174.33 3jwn s TYR 186 N 0.09 0.64 0.07 5.22 -0.85 -0.85 -0.55 117.35 121.12 3jwn s TYR 186 Ca -0.00 -0.94 0.08 0.00 -0.52 0.00 0.00 57.07 55.68 3jwn s TYR 186 Cb -0.01 -0.42 -0.03 0.00 0.38 0.00 0.00 41.96 41.88 3jwn s TYR 186 CO 0.00 -0.27 -0.21 0.00 -1.52 0.00 0.00 175.55 173.55 3jwn h ALA 188 N 4.48 1.25 -2.26 0.00 0.00 -1.51 -2.89 119.26 118.33 3jwn h ALA 188 Ca -0.45 0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.20 3jwn h ALA 188 Cb 1.17 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 3jwn h ALA 188 CO 0.42 -0.03 -0.65 -1.59 0.00 0.00 0.00 179.25 177.40 3jwn s LYS 189 N -5.99 1.25 0.28 0.00 -2.85 -1.26 -4.70 119.74 106.47 3jwn s LYS 189 Ca -0.12 -1.63 -0.30 0.00 -1.00 0.00 0.00 55.97 52.92 3jwn s LYS 189 Cb 0.21 -0.40 -0.11 0.00 -2.06 0.00 0.00 37.83 35.47 3jwn s LYS 189 CO 0.78 -0.15 1.61 0.45 0.10 0.00 0.00 175.35 178.15 3jwn s SER 190 N -3.25 6.37 0.24 0.03 0.15 -1.26 -4.67 113.70 111.31 3jwn s SER 190 Ca 0.28 2.94 -0.20 0.00 0.70 0.00 0.00 55.95 59.67 3jwn s SER 190 Cb 0.06 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3jwn s SER 190 CO 0.08 -0.93 0.64 0.00 1.20 0.00 0.00 173.24 174.23 3jwn s GLN 191 N -0.26 1.59 -1.15 5.44 -2.07 -0.95 -4.95 119.66 117.31 3jwn s GLN 191 Ca 0.65 -0.89 -0.19 0.00 -1.82 0.00 0.00 55.36 53.11 3jwn s GLN 191 Cb -0.48 0.58 0.09 0.00 -1.09 0.00 0.00 33.01 32.10 3jwn s GLN 191 CO 0.46 -0.71 1.52 -0.80 -1.32 0.00 0.00 175.29 174.44 3jwn s ASN 192 N -2.89 6.74 0.53 12.60 0.02 -1.26 -1.10 114.94 129.58 3jwn s ASN 192 Ca 0.10 -2.15 -0.17 0.00 -1.02 0.00 0.00 52.86 49.62 3jwn s ASN 192 Cb -0.04 -2.53 -0.07 0.00 0.02 0.00 0.00 41.25 38.64 3jwn s ASN 192 CO 0.01 -1.21 1.02 -0.76 0.02 0.00 0.00 177.10 176.19 3jwn s LEU 193 N 3.90 3.65 0.17 0.60 1.43 -0.54 -1.43 118.68 126.47 3jwn s LEU 193 Ca 0.47 1.75 -0.18 0.00 -1.03 0.00 0.00 54.13 55.14 3jwn s LEU 193 Cb 0.01 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.73 3jwn s LEU 193 CO -0.01 -0.84 0.52 -0.83 0.23 0.00 0.00 176.35 175.41 3jwn s GLY 194 N -2.66 -0.24 0.04 -3.19 0.00 0.10 -1.61 107.32 99.77 3jwn s GLY 194 Ca 0.63 -0.04 -0.04 0.00 0.00 0.00 0.00 44.72 45.27 3jwn s GLY 194 CO 0.30 -0.18 0.05 -2.52 0.00 0.00 0.00 173.10 170.75 3jwn s TYR 195 N -3.83 0.30 0.06 1.90 1.13 -0.46 0.02 117.35 116.46 3jwn s TYR 195 Ca 0.06 -0.68 0.04 0.00 -1.41 0.00 0.00 57.07 55.07 3jwn s TYR 195 Cb -0.00 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 3jwn s TYR 195 CO -0.07 -0.37 -0.11 1.52 -2.51 0.00 0.00 175.55 174.02 3jwn s TYR 196 N -3.00 0.94 0.32 -3.49 -0.85 -0.32 -0.13 117.35 110.81 3jwn s TYR 196 Ca -0.02 -0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 56.01 3jwn s TYR 196 Cb 0.01 -0.54 -0.04 0.00 0.38 0.00 0.00 41.96 41.77 3jwn s TYR 196 CO -0.06 -0.02 0.56 -0.51 -1.52 0.00 0.00 175.55 174.00 3jwn s LEU 197 N -1.71 4.02 0.09 -3.49 1.43 -1.26 -1.39 118.68 116.36 3jwn s LEU 197 Ca -0.05 0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 53.58 3jwn s LEU 197 Cb -0.09 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.66 3jwn s LEU 197 CO 0.01 -0.25 0.23 -0.94 0.23 0.00 0.00 176.35 175.64 3jwn s SER 198 N -3.50 0.03 0.00 2.29 1.04 -0.35 -0.02 113.70 113.19 3jwn s SER 198 Ca 0.43 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3jwn s SER 198 Cb -0.10 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3jwn s SER 198 CO 0.33 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3jwn n GLY 199 N 0.04 0.69 3.71 7.32 0.00 -1.26 -1.21 105.19 114.48 3jwn n GLY 199 Ca -0.16 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.36 4.64 0.06 2.61 2.01 -1.26 -5.05 115.64 117.29 3jwn s THR 200 Ca 0.00 1.92 0.07 0.00 0.31 0.00 0.00 61.69 63.99 3jwn s THR 200 Cb 0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 3jwn s THR 200 CO 0.00 0.16 -0.19 0.42 -0.69 0.00 0.00 174.62 174.32 3jwn s THR 201 N 0.92 1.52 -0.12 -0.82 -4.23 -1.26 -2.23 115.64 109.42 3jwn s THR 201 Ca 0.53 -1.25 -0.20 0.00 -1.18 0.00 0.00 61.69 59.59 3jwn s THR 201 Cb -0.23 -1.35 -0.26 0.00 1.34 0.00 0.00 72.50 71.99 3jwn s THR 201 CO 0.29 0.06 0.58 0.00 -0.54 0.00 0.00 174.62 175.01 3jwn h ALA 202 N 4.63 0.12 -2.41 3.99 0.00 -1.40 -3.45 119.26 120.74 3jwn h ALA 202 Ca -0.42 -0.94 -0.49 0.00 0.00 0.00 0.00 54.91 53.05 3jwn h ALA 202 Cb 1.17 0.38 0.07 0.00 0.00 0.00 0.00 17.79 19.41 3jwn h ALA 202 CO 0.42 0.58 0.36 0.16 0.00 0.00 0.00 179.25 180.77 3jwn s ASP 203 N -6.83 5.68 0.45 0.00 3.84 -1.26 -4.98 116.67 113.57 3jwn s ASP 203 Ca -0.20 1.11 0.29 0.00 -0.00 0.00 0.00 52.55 53.74 3jwn s ASP 203 Cb 0.03 -2.02 0.97 0.00 -1.38 0.00 0.00 42.92 40.51 3jwn s ASP 203 CO 0.73 -1.15 1.82 0.00 -0.00 0.00 0.00 175.17 176.57 3jwn h ALA 204 N -0.46 1.00 0.00 2.11 0.00 -1.98 -2.60 119.26 117.34 3jwn h ALA 204 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3jwn h ALA 204 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3jwn h ALA 204 CO 0.63 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3jwn n GLY 205 N 0.46 -1.31 4.07 0.00 0.00 -1.26 -4.94 105.19 102.20 3jwn n GLY 205 Ca 0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.33 -4.15 -0.01 1.61 4.13 -0.98 -4.77 115.26 109.76 3jwn n ASN 206 Ca 0.13 -0.89 0.06 0.00 1.68 0.00 0.00 54.58 55.56 3jwn n ASN 206 Cb 0.26 -3.34 -0.09 0.00 -1.54 0.00 0.00 39.78 35.06 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 -2.74 1.94 -4.25 6.41 3.41 -1.26 -0.32 113.62 116.81 3jwn n SER 207 Ca 0.06 -0.10 -0.34 0.00 -0.26 0.00 0.00 58.87 58.24 3jwn n SER 207 Cb 0.51 1.50 -0.15 0.00 -0.26 0.00 0.00 64.21 65.81 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 -2.78 2.92 -0.09 -1.33 1.01 -1.26 -4.46 121.20 115.21 3jwn s ILE 208 Ca -0.03 -0.65 -0.27 0.00 0.00 0.00 0.00 60.65 59.70 3jwn s ILE 208 Cb 0.08 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3jwn s ILE 208 CO 0.52 0.46 0.88 -0.36 0.00 0.00 0.00 174.94 176.45 3jwn s PHE 209 N 1.39 3.54 0.70 3.97 0.40 0.11 -1.03 117.98 127.05 3jwn s PHE 209 Ca 0.05 1.45 -0.16 0.00 -0.60 0.00 0.00 56.93 57.67 3jwn s PHE 209 Cb -0.14 -3.04 0.02 0.00 0.51 0.00 0.00 43.02 40.38 3jwn s PHE 209 CO -0.06 -0.11 1.21 0.95 0.70 0.00 0.00 175.22 177.91 3jwn s THR 210 N 1.54 2.40 -0.34 0.64 -4.23 -0.95 -1.65 115.64 113.05 3jwn s THR 210 Ca 0.44 0.21 -0.29 0.00 -1.18 0.00 0.00 61.69 60.87 3jwn s THR 210 Cb -0.18 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 70.83 3jwn s THR 210 CO 0.19 -0.10 1.24 0.21 -0.54 0.00 0.00 174.62 175.62 3jwn s ASN 211 N -1.97 6.68 0.00 3.99 2.47 -1.26 -4.54 114.94 120.32 3jwn s ASN 211 Ca 0.75 1.02 0.23 0.00 0.42 0.00 0.00 52.86 55.28 3jwn s ASN 211 Cb -0.29 -2.54 0.11 0.00 -1.45 0.00 0.00 41.25 37.08 3jwn s ASN 211 CO 0.43 -1.10 1.18 0.41 -3.72 0.00 0.00 177.10 174.29 3jwn n THR 212 N 6.33 0.00 -1.60 -5.21 -1.04 0.13 -4.91 114.28 107.97 3jwn n THR 212 Ca 0.14 -0.41 -0.51 0.00 -2.04 0.00 0.00 64.05 61.23 3jwn n THR 212 Cb 0.47 1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 70.33 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 0.82 -0.62 -0.07 2.41 0.00 -1.23 -4.90 120.51 116.93 3jwn n ALA 213 Ca 0.12 0.50 -0.19 0.00 0.00 0.00 0.00 53.44 53.88 3jwn n ALA 213 Cb 0.54 -2.11 -0.13 0.00 0.00 0.00 0.00 19.45 17.75 3jwn n ALA 213 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3jwn n SER 214 N 2.59 1.90 -4.64 0.00 3.41 -1.26 -4.51 113.62 111.11 3jwn n SER 214 Ca 0.18 0.02 -0.40 0.00 -0.26 0.00 0.00 58.87 58.41 3jwn n SER 214 Cb 0.21 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 3jwn n SER 214 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3jwn s PHE 215 N -2.54 3.32 -1.28 7.33 2.19 -1.26 -4.49 117.98 121.25 3jwn s PHE 215 Ca -0.28 0.85 -0.19 0.00 0.33 0.00 0.00 56.93 57.64 3jwn s PHE 215 Cb 0.08 -2.81 0.02 0.00 -1.31 0.00 0.00 43.02 39.00 3jwn s PHE 215 CO 0.69 -0.25 0.56 0.45 1.83 0.00 0.00 175.22 178.50 3jwn n SER 216 N 5.38 -2.98 -4.77 6.13 2.88 -1.26 -4.51 113.62 114.50 3jwn n SER 216 Ca -0.01 -1.17 -0.38 0.00 -1.33 0.00 0.00 58.87 55.98 3jwn n SER 216 Cb 0.49 -2.38 -0.01 0.00 -0.75 0.00 0.00 64.21 61.56 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 -6.87 3.89 0.36 -1.46 0.04 -1.26 -0.60 135.00 129.10 3jwn s PRO 217 Ca 0.32 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 3jwn s PRO 217 Cb -0.15 -2.57 0.09 0.00 0.04 0.00 0.00 34.50 31.91 3jwn s PRO 217 CO 0.93 -0.47 0.24 0.00 0.04 0.00 0.00 177.00 177.74 3jwn n ALA 218 N -0.18 -1.23 -3.32 8.56 0.00 0.82 -4.41 120.51 120.75 3jwn n ALA 218 Ca 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 3jwn n ALA 218 Cb 0.46 -0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 3jwn n ALA 218 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3jwn s GLN 219 N -3.56 0.40 -0.30 0.00 0.74 -1.20 -4.86 119.66 110.87 3jwn s GLN 219 Ca 0.18 0.53 0.00 0.00 0.05 0.00 0.00 55.36 56.11 3jwn s GLN 219 Cb -0.03 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.24 3jwn s GLN 219 CO 0.14 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.23 3jwn n GLY 220 N 3.12 0.53 3.07 2.59 0.00 -1.26 -2.18 105.19 111.05 3jwn n GLY 220 Ca -0.15 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.79 0.82 0.35 1.61 1.01 -1.26 -1.06 120.40 120.08 3jwn s VAL 221 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3jwn s VAL 221 Cb 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3jwn s VAL 221 CO 0.00 0.05 0.22 0.61 0.00 0.00 0.00 175.10 175.98 3jwn n GLY 222 N 2.33 3.08 3.84 4.51 0.00 0.96 -4.28 105.19 115.63 3jwn n GLY 222 Ca -0.16 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 3jwn n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jwn s VAL 223 N -3.19 5.26 -0.05 1.61 1.01 -0.66 0.18 120.40 124.57 3jwn s VAL 223 Ca 0.31 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 3jwn s VAL 223 Cb 0.02 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3jwn s VAL 223 CO 0.22 0.59 0.03 -1.58 0.00 0.00 0.00 175.10 174.37 3jwn s GLN 224 N -1.08 0.16 0.15 2.72 0.74 0.32 0.06 119.66 122.73 3jwn s GLN 224 Ca 0.16 0.26 -0.12 0.00 0.05 0.00 0.00 55.36 55.71 3jwn s GLN 224 Cb -0.12 -0.62 -0.07 0.00 1.10 0.00 0.00 33.01 33.31 3jwn s GLN 224 CO 0.05 -0.29 0.51 -0.51 -0.55 0.00 0.00 175.29 174.50 3jwn s LEU 225 N 1.91 4.30 0.08 3.68 1.43 -1.26 -1.10 118.68 127.72 3jwn s LEU 225 Ca 0.02 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 3jwn s LEU 225 Cb -0.12 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 3jwn s LEU 225 CO -0.03 0.08 -0.07 0.42 0.23 0.00 0.00 176.35 176.97 3jwn s THR 226 N -1.54 0.64 -0.07 5.49 -4.23 0.87 -2.11 115.64 114.68 3jwn s THR 226 Ca 0.39 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3jwn s THR 226 Cb -0.14 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.47 3jwn s THR 226 CO 0.20 -0.67 -0.09 0.00 -0.54 0.00 0.00 174.62 173.51 3jwn s ARG 227 N -2.93 1.43 -1.49 3.99 1.70 -0.43 -0.14 118.95 121.07 3jwn s ARG 227 Ca 0.03 -0.29 -0.01 0.00 -0.47 0.00 0.00 55.73 55.00 3jwn s ARG 227 Cb -0.01 -1.32 0.00 0.00 -0.57 0.00 0.00 34.95 33.06 3jwn s ARG 227 CO -0.03 -0.08 0.15 0.09 -1.08 0.00 0.00 175.30 174.35 3jwn n ASN 228 N 4.20 0.43 0.00 -2.89 4.13 -1.26 -1.48 115.26 118.39 3jwn n ASN 228 Ca -0.20 -1.19 0.00 0.00 1.68 0.00 0.00 54.58 54.87 3jwn n ASN 228 Cb 0.51 -2.08 0.00 0.00 -1.54 0.00 0.00 39.78 36.67 3jwn n ASN 228 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3jwn n GLY 229 N -2.38 2.33 3.74 7.41 0.00 -1.26 -5.02 105.19 110.02 3jwn n GLY 229 Ca -0.32 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.44 3.82 0.21 2.61 2.01 -0.55 -4.98 115.64 118.32 3jwn s THR 230 Ca 0.00 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.31 3jwn s THR 230 Cb 0.00 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 3jwn s THR 230 CO 0.00 0.29 1.31 -0.63 -0.69 0.00 0.00 174.62 174.90 3jwn s ILE 231 N -0.38 3.17 -0.42 1.82 1.01 -1.26 -1.32 121.20 123.82 3jwn s ILE 231 Ca 0.49 0.98 -0.08 0.00 0.00 0.00 0.00 60.65 62.04 3jwn s ILE 231 Cb -0.30 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 38.63 3jwn s ILE 231 CO 0.36 0.15 0.25 -0.63 0.00 0.00 0.00 174.94 175.07 3jwn s ILE 232 N -0.01 4.05 0.89 2.92 1.01 -0.90 -4.91 121.20 124.25 3jwn s ILE 232 Ca 0.56 -1.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 3jwn s ILE 232 Cb -0.37 -3.53 0.12 0.00 0.01 0.00 0.00 42.46 38.69 3jwn s ILE 232 CO 0.39 -0.55 1.11 -2.16 0.00 0.00 0.00 174.94 173.74 3jwn s PRO 233 N 1.37 1.32 0.68 2.79 0.04 -1.26 -4.63 135.00 135.31 3jwn s PRO 233 Ca 0.04 0.48 -0.14 0.00 0.04 0.00 0.00 61.00 61.42 3jwn s PRO 233 Cb -0.23 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3jwn s PRO 233 CO 0.01 -2.11 1.10 0.00 0.04 0.00 0.00 177.00 176.03 3jwn s ALA 234 N -3.16 2.44 -1.55 8.56 0.00 0.56 -3.96 121.76 124.65 3jwn s ALA 234 Ca 0.63 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 3jwn s ALA 234 Cb -0.16 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.74 3jwn s ALA 234 CO 0.55 -1.36 0.59 0.09 0.00 0.00 0.00 175.76 175.62 3jwn n ASN 235 N -2.69 -1.80 -3.52 0.00 3.02 0.96 -4.90 115.26 106.34 3jwn n ASN 235 Ca 0.10 -1.01 -0.19 0.00 -0.03 0.00 0.00 54.58 53.45 3jwn n ASN 235 Cb 0.52 -2.91 -0.14 0.00 -0.61 0.00 0.00 39.78 36.64 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 -3.85 1.52 0.15 6.41 2.47 -1.25 -5.01 114.94 115.37 3jwn s ASN 236 Ca 0.36 -0.27 -0.31 0.00 0.42 0.00 0.00 52.86 53.05 3jwn s ASN 236 Cb -0.19 0.28 -0.09 0.00 -1.45 0.00 0.00 41.25 39.79 3jwn s ASN 236 CO 0.91 -0.33 1.48 -0.89 -3.72 0.00 0.00 177.10 174.55 3jwn s THR 237 N 2.30 2.91 -0.27 -5.21 2.01 -1.26 -4.62 115.64 111.50 3jwn s THR 237 Ca 0.06 0.66 -0.06 0.00 0.31 0.00 0.00 61.69 62.67 3jwn s THR 237 Cb -0.16 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.93 3jwn s THR 237 CO -0.11 0.06 0.03 -0.69 -0.69 0.00 0.00 174.62 173.22 3jwn s VAL 238 N 1.02 3.73 0.16 3.82 1.01 0.81 -4.95 120.40 126.01 3jwn s VAL 238 Ca 0.67 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3jwn s VAL 238 Cb -0.41 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 3jwn s VAL 238 CO 0.32 0.20 1.16 -0.55 0.00 0.00 0.00 175.10 176.23 3jwn s SER 239 N 1.49 7.15 0.00 3.32 0.15 -1.26 -1.36 113.70 123.19 3jwn s SER 239 Ca 0.03 2.14 0.19 0.00 0.70 0.00 0.00 55.95 59.01 3jwn s SER 239 Cb -0.16 -2.60 0.27 0.00 -1.71 0.00 0.00 66.02 61.81 3jwn s SER 239 CO 0.00 -0.33 1.20 0.18 1.20 0.00 0.00 173.24 175.50 3jwn n LEU 240 N 2.69 2.89 0.00 3.45 4.77 -0.63 -4.97 117.00 125.20 3jwn n LEU 240 Ca 0.04 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 3jwn n LEU 240 Cb 0.46 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3jwn n LEU 240 CO 0.55 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3jwn n GLY 241 N 1.11 0.45 3.55 -0.72 0.00 -1.23 -4.59 105.19 103.77 3jwn n GLY 241 Ca 0.14 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.56 3.22 -0.21 4.61 0.00 -1.26 -1.47 121.76 125.09 3jwn s ALA 242 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 3jwn s ALA 242 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 3jwn s ALA 242 CO 0.00 -2.14 0.05 0.08 0.00 0.00 0.00 175.76 173.75 3jwn s VAL 243 N 3.74 4.35 0.00 0.00 1.01 -0.26 -4.86 120.40 124.38 3jwn s VAL 243 Ca 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3jwn s VAL 243 Cb -0.11 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3jwn s VAL 243 CO 0.24 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3jwn n GLY 244 N 4.30 3.04 0.13 4.51 0.00 -1.26 -2.25 105.19 113.67 3jwn n GLY 244 Ca -0.16 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.19 2.61 1.35 -1.79 0.10 112.91 112.00 3jwn h THR 245 Ca 0.00 -0.44 -0.58 0.00 -0.55 0.00 0.00 66.41 64.84 3jwn h THR 245 Cb 0.00 1.35 -0.07 0.00 -1.73 0.00 0.00 68.15 67.70 3jwn h THR 245 CO 0.00 0.00 0.77 -0.44 -0.25 0.00 0.00 175.52 175.60 3jwn s SER 246 N -4.64 7.00 0.31 5.36 0.01 -1.26 -4.77 113.70 115.71 3jwn s SER 246 Ca 0.08 1.21 -0.29 0.00 1.31 0.00 0.00 55.95 58.26 3jwn s SER 246 Cb 0.10 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.68 3jwn s SER 246 CO 0.53 -0.72 1.31 0.00 0.41 0.00 0.00 173.24 174.77 3jwn n ALA 247 N 6.47 1.20 -3.32 1.44 0.00 -1.26 -4.76 120.51 120.28 3jwn n ALA 247 Ca 0.11 0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.70 3jwn n ALA 247 Cb 0.47 -2.25 -0.16 0.00 0.00 0.00 0.00 19.45 17.50 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 -0.80 1.00 0.35 0.00 1.01 0.29 -4.88 120.40 117.36 3jwn s VAL 248 Ca 0.59 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 3jwn s VAL 248 Cb -0.59 -0.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.78 3jwn s VAL 248 CO 0.59 0.32 0.99 -0.55 0.00 0.00 0.00 175.10 176.45 3jwn s SER 249 N 0.52 7.11 0.49 3.32 0.15 -1.26 -0.92 113.70 123.10 3jwn s SER 249 Ca -0.10 1.94 0.28 0.00 0.70 0.00 0.00 55.95 58.76 3jwn s SER 249 Cb -0.13 -2.58 1.07 0.00 -1.71 0.00 0.00 66.02 62.66 3jwn s SER 249 CO 0.02 -0.23 1.88 -0.07 1.20 0.00 0.00 173.24 176.04 3jwn h LEU 250 N 2.94 0.00 1.04 3.45 3.38 -1.80 -3.48 115.31 120.85 3jwn h LEU 250 Ca -0.47 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 3jwn h LEU 250 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3jwn h LEU 250 CO 0.64 0.12 -0.21 0.61 0.09 0.00 0.00 178.44 179.69 3jwn n GLY 251 N 0.16 0.05 3.76 0.83 0.00 -1.26 -4.97 105.19 103.76 3jwn n GLY 251 Ca 0.01 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.40 4.61 -0.03 0.99 1.43 -1.26 -4.15 118.68 117.88 3jwn s LEU 252 Ca 0.01 1.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 3jwn s LEU 252 Cb -0.01 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.72 3jwn s LEU 252 CO 0.02 0.17 -0.05 -0.89 0.23 0.00 0.00 176.35 175.83 3jwn s THR 253 N -1.19 0.47 -0.04 5.49 2.01 0.80 -0.49 115.64 122.69 3jwn s THR 253 Ca 0.39 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 3jwn s THR 253 Cb -0.24 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 3jwn s THR 253 CO 0.29 0.18 0.44 0.00 -0.69 0.00 0.00 174.62 174.85 3jwn s ALA 254 N 0.48 3.60 0.13 7.40 0.00 0.17 -0.09 121.76 133.45 3jwn s ALA 254 Ca -0.06 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.75 3jwn s ALA 254 Cb -0.10 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 3jwn s ALA 254 CO -0.00 0.28 -0.11 -0.80 0.00 0.00 0.00 175.76 175.13 3jwn s ASN 255 N -0.38 1.74 0.49 0.00 0.01 -0.26 -1.70 114.94 114.85 3jwn s ASN 255 Ca 0.25 -0.93 -0.19 0.00 -0.71 0.00 0.00 52.86 51.28 3jwn s ASN 255 Cb -0.16 -0.02 -0.09 0.00 0.41 0.00 0.00 41.25 41.40 3jwn s ASN 255 CO 0.12 -0.28 0.99 -0.31 -1.51 0.00 0.00 177.10 176.11 3jwn s TYR 256 N -2.91 3.24 -0.11 2.20 1.51 -1.25 -0.52 117.35 119.50 3jwn s TYR 256 Ca 0.13 1.55 -0.13 0.00 -1.01 0.00 0.00 57.07 57.61 3jwn s TYR 256 Cb -0.00 -2.90 0.03 0.00 -0.11 0.00 0.00 41.96 38.98 3jwn s TYR 256 CO 0.01 -0.48 0.35 0.00 -1.11 0.00 0.00 175.55 174.31 3jwn s ALA 257 N -2.30 -0.87 -0.06 3.71 0.00 0.13 -4.71 121.76 117.66 3jwn s ALA 257 Ca 0.62 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 3jwn s ALA 257 Cb -0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3jwn s ALA 257 CO 0.23 -0.18 0.97 0.50 0.00 0.00 0.00 175.76 177.28 3jwn s ARG 258 N -0.07 4.48 -0.07 0.00 3.52 -1.26 -0.03 118.95 125.51 3jwn s ARG 258 Ca -0.02 1.37 0.18 0.00 -0.13 0.00 0.00 55.73 57.12 3jwn s ARG 258 Cb -0.03 -3.50 -0.27 0.00 -1.56 0.00 0.00 34.95 29.59 3jwn s ARG 258 CO 0.01 -0.18 0.31 0.25 -0.81 0.00 0.00 175.30 174.88 3jwn n THR 259 N 4.24 0.36 -2.41 4.11 -2.24 -0.22 -4.88 114.28 113.24 3jwn n THR 259 Ca 0.07 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3jwn n THR 259 Cb 0.50 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.58 2.54 0.00 3.38 0.00 -1.16 -4.91 105.19 106.61 3jwn n GLY 260 Ca -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 -1.46 3.64 -0.02 0.00 -1.26 -4.74 105.19 101.35 3jwn n GLY 261 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.01 -0.41 1.61 2.00 -1.26 -4.94 119.66 120.67 3jwn s GLN 262 Ca 0.00 1.60 -0.29 0.00 -2.00 0.00 0.00 55.36 54.67 3jwn s GLN 262 Cb 0.00 -3.90 0.02 0.00 0.80 0.00 0.00 33.01 29.93 3jwn s GLN 262 CO 0.00 -1.02 1.20 0.08 -0.50 0.00 0.00 175.29 175.06 3jwn s VAL 263 N 4.32 4.19 0.22 1.34 1.01 -1.26 -4.21 120.40 126.01 3jwn s VAL 263 Ca 0.62 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.87 3jwn s VAL 263 Cb -0.23 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 3jwn s VAL 263 CO 0.23 -0.79 0.41 -0.89 0.00 0.00 0.00 175.10 174.06 3jwn s THR 264 N 4.49 5.20 0.58 3.92 2.01 -0.93 -4.95 115.64 125.97 3jwn s THR 264 Ca 0.51 -0.44 -0.18 0.00 0.31 0.00 0.00 61.69 61.89 3jwn s THR 264 Cb -0.11 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3jwn s THR 264 CO 0.28 -0.24 1.12 0.00 -0.69 0.00 0.00 174.62 175.09 3jwn s ALA 265 N -1.94 2.62 0.00 7.40 0.00 -1.26 -3.23 121.76 125.35 3jwn s ALA 265 Ca 0.38 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.07 3jwn s ALA 265 Cb -0.11 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3jwn s ALA 265 CO 0.30 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.52 3jwn n GLY 266 N -0.07 -0.09 3.84 0.00 0.00 -1.26 -4.24 105.19 103.37 3jwn n GLY 266 Ca 0.11 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.45 6.84 -0.09 1.61 0.01 0.23 -4.09 114.94 115.99 3jwn s ASN 267 Ca 0.00 1.25 0.00 0.00 -0.71 0.00 0.00 52.86 53.40 3jwn s ASN 267 Cb 0.00 -2.36 0.02 0.00 0.41 0.00 0.00 41.25 39.33 3jwn s ASN 267 CO 0.00 -0.09 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.73 3jwn s VAL 268 N -1.78 0.95 -0.02 1.60 1.01 -1.26 -0.13 120.40 120.77 3jwn s VAL 268 Ca 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3jwn s VAL 268 Cb -0.13 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.32 3jwn s VAL 268 CO 0.19 0.34 -0.00 -1.58 0.00 0.00 0.00 175.10 174.05 3jwn s GLN 269 N 1.40 0.21 -0.02 2.72 0.74 -1.26 -4.92 119.66 118.54 3jwn s GLN 269 Ca -0.01 0.05 0.03 0.00 0.05 0.00 0.00 55.36 55.48 3jwn s GLN 269 Cb -0.13 -0.36 -0.00 0.00 1.10 0.00 0.00 33.01 33.61 3jwn s GLN 269 CO -0.04 -0.09 -0.11 -1.12 -0.55 0.00 0.00 175.29 173.37 3jwn s SER 270 N 0.73 1.41 -0.27 6.67 0.01 -1.26 0.18 113.70 121.16 3jwn s SER 270 Ca -0.07 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 3jwn s SER 270 Cb -0.10 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.90 3jwn s SER 270 CO -0.01 0.12 0.01 -0.63 0.41 0.00 0.00 173.24 173.14 3jwn s ILE 271 N -0.09 3.41 -0.14 1.44 1.01 -1.26 -5.06 121.20 120.52 3jwn s ILE 271 Ca 0.01 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3jwn s ILE 271 Cb -0.07 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 3jwn s ILE 271 CO 0.00 0.12 -0.17 -0.63 0.00 0.00 0.00 174.94 174.26 3jwn s ILE 272 N 1.40 2.58 0.23 2.92 1.01 -1.26 -4.74 121.20 123.34 3jwn s ILE 272 Ca 0.01 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 3jwn s ILE 272 Cb -0.17 -2.07 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 3jwn s ILE 272 CO -0.01 0.53 0.64 -0.83 0.00 0.00 0.00 174.94 175.27 3jwn s GLY 273 N 0.60 2.43 -0.19 6.18 0.00 -0.35 -4.92 107.32 111.07 3jwn s GLY 273 Ca -0.10 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.59 3jwn s GLY 273 CO 0.03 0.21 -0.10 0.14 0.00 0.00 0.00 173.10 173.39 3jwn s VAL 274 N -1.69 1.55 -0.16 1.40 1.01 -1.26 -1.21 120.40 120.04 3jwn s VAL 274 Ca 0.45 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3jwn s VAL 274 Cb -0.13 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3jwn s VAL 274 CO 0.20 0.19 -0.09 -0.89 0.00 0.00 0.00 175.10 174.51 3jwn s THR 275 N 1.44 3.34 0.56 3.92 2.01 -0.49 -4.97 115.64 121.45 3jwn s THR 275 Ca -0.00 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 3jwn s THR 275 Cb -0.16 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.91 3jwn s THR 275 CO -0.08 0.49 0.86 -0.36 -0.69 0.00 0.00 174.62 174.83 3jwn s PHE 276 N 0.64 3.26 0.11 4.92 0.40 -1.26 -1.17 117.98 124.87 3jwn s PHE 276 Ca -0.05 0.58 -0.25 0.00 -0.60 0.00 0.00 56.93 56.61 3jwn s PHE 276 Cb -0.15 -2.65 0.07 0.00 0.51 0.00 0.00 43.02 40.80 3jwn s PHE 276 CO 0.03 -0.72 0.63 0.08 0.70 0.00 0.00 175.22 175.93 3jwn s VAL 277 N -2.90 0.00 -0.33 -0.44 1.01 0.10 -4.63 120.40 113.20 3jwn s VAL 277 Ca 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 3jwn s VAL 277 Cb -0.10 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.29 3jwn s VAL 277 CO 0.44 0.00 0.14 -0.31 0.00 0.00 0.00 175.10 175.37 3jwn s TYR 278 N -3.16 3.21 0.00 5.22 4.12 -1.26 -0.72 117.35 124.76 3jwn s TYR 278 Ca -0.02 -1.01 0.00 0.00 0.02 0.00 0.00 57.07 56.07 3jwn s TYR 278 Cb -0.01 -2.33 0.00 0.00 -1.52 0.00 0.00 41.96 38.10 3jwn s TYR 278 CO -0.08 -0.61 0.00 1.04 0.02 0.00 0.00 175.55 175.92