#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwn s ILE 2 N 0.00 3.75 0.03 0.00 -4.36 -1.26 -5.09 121.20 114.27 2jwn s ILE 2 Ca 0.00 -0.44 -0.14 0.00 -0.26 0.00 0.00 60.65 59.80 2jwn s ILE 2 Cb 0.00 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 41.16 2jwn s ILE 2 CO 0.00 0.56 0.32 0.00 0.24 0.00 0.00 174.94 176.06 2jwn s ALA 3 N -0.38 -0.74 0.13 2.27 0.00 -1.26 -5.12 121.76 116.66 2jwn s ALA 3 Ca 0.06 0.11 -0.33 0.00 0.00 0.00 0.00 51.96 51.80 2jwn s ALA 3 Cb -0.12 0.26 -0.13 0.00 0.00 0.00 0.00 23.12 23.13 2jwn s ALA 3 CO 0.02 -0.38 1.68 -2.30 0.00 0.00 0.00 175.76 174.78 2jwn n PRO 4 N 0.74 2.33 -2.25 0.00 -0.02 -1.26 -4.88 135.00 129.66 2jwn n PRO 4 Ca -0.19 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 2jwn n PRO 4 Cb 0.59 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 2jwn n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwn n MET 6 N 7.33 -1.77 -2.75 0.00 2.81 -1.26 -4.96 117.12 116.52 2jwn n MET 6 Ca 0.17 1.71 -0.42 0.00 -1.81 0.00 0.00 57.70 57.35 2jwn n MET 6 Cb 0.45 -4.74 -0.03 0.00 -0.71 0.00 0.00 33.22 28.20 2jwn n MET 6 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2jwn s GLN 7 N -2.31 4.36 -0.84 0.03 -0.21 -1.25 -4.97 119.66 114.47 2jwn s GLN 7 Ca 0.17 1.27 -0.24 0.00 0.02 0.00 0.00 55.36 56.58 2jwn s GLN 7 Cb -0.05 -3.57 0.05 0.00 1.00 0.00 0.00 33.01 30.44 2jwn s GLN 7 CO 0.59 -0.37 1.28 0.95 -2.12 0.00 0.00 175.29 175.63 2jwn s THR 8 N 2.23 3.95 0.00 -0.19 -4.23 -1.26 -4.74 115.64 111.40 2jwn s THR 8 Ca 0.44 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 2jwn s THR 8 Cb -0.17 -4.92 0.00 0.00 1.34 0.00 0.00 72.50 68.75 2jwn s THR 8 CO 0.14 -1.80 0.00 0.35 -0.54 0.00 0.00 174.62 172.77 2jwn n THR 9 N 6.41 0.00 -1.78 3.99 -2.24 -1.26 -4.56 114.28 114.84 2jwn n THR 9 Ca 0.14 0.35 -0.18 0.00 -2.27 0.00 0.00 64.05 62.09 2jwn n THR 9 Cb 0.49 -1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 2jwn n THR 9 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jwn n HIS 10 N -2.48 -0.42 -2.77 4.78 -0.00 -1.26 -4.86 115.22 108.20 2jwn n HIS 10 Ca 0.00 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 57.74 2jwn n HIS 10 Cb 0.00 -3.28 0.00 0.00 -0.12 0.00 0.00 29.99 26.59 2jwn n HIS 10 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2jwn n SER 11 N -1.32 5.09 -3.75 0.26 2.88 -1.26 -4.76 113.62 110.76 2jwn n SER 11 Ca -0.19 -2.96 -0.28 0.00 -1.33 0.00 0.00 58.87 54.10 2jwn n SER 11 Cb 0.62 -1.63 -0.12 0.00 -0.75 0.00 0.00 64.21 62.32 2jwn n SER 11 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2jwn s LYS 12 N 2.46 1.79 0.09 -1.46 1.02 -1.26 -5.06 119.74 117.32 2jwn s LYS 12 Ca 0.47 -2.68 -0.25 0.00 0.02 0.00 0.00 55.97 53.52 2jwn s LYS 12 Cb 0.00 -2.72 0.07 0.00 -0.52 0.00 0.00 37.83 34.66 2jwn s LYS 12 CO 0.03 -1.26 0.62 1.41 -0.92 0.00 0.00 175.35 175.23 2jwn s MET 13 N -0.57 1.20 -0.41 1.68 1.75 -1.26 -5.11 119.30 116.58 2jwn s MET 13 Ca 0.24 -0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.46 2jwn s MET 13 Cb -0.10 0.56 0.14 0.00 2.84 0.00 0.00 34.83 38.27 2jwn s MET 13 CO -0.11 -0.48 0.23 0.99 -0.65 0.00 0.00 175.02 175.00 2jwn s THR 14 N -2.90 1.00 -0.25 10.11 2.01 -1.26 -5.06 115.64 119.28 2jwn s THR 14 Ca -0.03 -2.30 -0.02 0.00 0.31 0.00 0.00 61.69 59.65 2jwn s THR 14 Cb -0.01 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.82 2jwn s THR 14 CO -0.05 -0.93 -0.06 0.00 -0.69 0.00 0.00 174.62 172.89 2jwn s ALA 15 N 0.56 2.71 0.00 7.40 0.00 -1.26 -5.08 121.76 126.09 2jwn s ALA 15 Ca 0.18 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2jwn s ALA 15 Cb -0.23 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2jwn s ALA 15 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2jwn n GLY 16 N 4.67 0.86 1.24 0.00 0.00 -1.26 -2.94 105.19 107.76 2jwn n GLY 16 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2jwn n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwn n ALA 17 N -3.00 0.24 -3.19 4.61 0.00 -1.26 -1.74 120.51 116.17 2jwn n ALA 17 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2jwn n ALA 17 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2jwn n ALA 17 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jwn n TYR 18 N -0.24 0.00 -4.02 0.00 9.36 -0.35 -4.95 117.16 116.97 2jwn n TYR 18 Ca 0.03 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.10 2jwn n TYR 18 Cb 0.23 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.80 2jwn n TYR 18 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2jwn s THR 19 N -1.20 0.22 0.80 2.97 -1.32 -1.26 -4.69 115.64 111.16 2jwn s THR 19 Ca 0.00 -0.10 -0.13 0.00 -1.21 0.00 0.00 61.69 60.25 2jwn s THR 19 Cb 0.00 -0.20 0.19 0.00 -1.51 0.00 0.00 72.50 70.98 2jwn s THR 19 CO 0.00 0.07 0.89 -0.62 -2.21 0.00 0.00 174.62 172.75 2jwn n GLU 20 N 3.12 -1.68 0.00 7.08 -0.58 -1.26 -5.12 120.64 122.19 2jwn n GLU 20 Ca -0.14 -1.40 0.00 0.00 -0.42 0.00 0.00 57.16 55.20 2jwn n GLU 20 Cb 0.58 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 2jwn n GLU 20 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jwn n GLY 21 N -2.02 0.51 0.29 0.62 0.00 -1.26 -4.94 105.19 98.40 2jwn n GLY 21 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2jwn n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jwn h PRO 22 N 0.00 0.79 -6.96 1.61 0.11 -2.01 -3.44 132.00 122.10 2jwn h PRO 22 Ca 0.00 -0.05 -0.53 0.00 0.11 0.00 0.00 66.00 65.54 2jwn h PRO 22 Cb 0.00 -0.18 0.09 0.00 0.11 0.00 0.00 31.00 31.02 2jwn h PRO 22 CO 0.00 0.52 0.60 -1.25 -0.21 0.00 0.00 178.00 177.66 2jwn s PRO 23 N -6.07 3.86 0.43 1.05 0.04 -1.26 -5.04 135.00 128.01 2jwn s PRO 23 Ca -0.13 2.13 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2jwn s PRO 23 Cb 0.18 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 32.05 2jwn s PRO 23 CO 0.78 -0.57 0.55 -0.65 0.04 0.00 0.00 177.00 177.14 2jwn s GLN 24 N -2.36 2.72 0.00 4.56 -1.52 -1.26 -4.81 119.66 116.99 2jwn s GLN 24 Ca 0.59 -1.34 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 2jwn s GLN 24 Cb -0.37 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 29.75 2jwn s GLN 24 CO 0.47 -0.31 0.00 -2.30 -0.25 0.00 0.00 175.29 172.91 2jwn n PRO 25 N -1.82 1.63 -1.51 2.91 -0.02 -1.26 -4.48 135.00 130.45 2jwn n PRO 25 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2jwn n PRO 25 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 2jwn n PRO 25 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jwn n LEU 26 N 0.00 0.00 -4.80 2.45 7.99 -1.26 -4.72 117.00 116.67 2jwn n LEU 26 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.67 2jwn n LEU 26 Cb 0.00 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.33 2jwn n LEU 26 CO 0.00 0.00 0.72 -0.55 -1.51 0.00 0.00 177.39 176.05 2jwn s SER 27 N -0.51 5.65 0.21 -1.43 0.15 -1.26 -4.85 113.70 111.66 2jwn s SER 27 Ca 0.00 1.83 -0.10 0.00 0.70 0.00 0.00 55.95 58.38 2jwn s SER 27 Cb 0.00 -2.53 0.30 0.00 -1.71 0.00 0.00 66.02 62.07 2jwn s SER 27 CO 0.00 -1.26 1.68 0.00 1.20 0.00 0.00 173.24 174.86 2jwn h ALA 28 N 0.29 0.65 -0.65 5.45 0.00 -2.00 -1.02 119.26 121.99 2jwn h ALA 28 Ca -0.47 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2jwn h ALA 28 Cb 1.22 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 2jwn h ALA 28 CO 0.57 -0.36 0.12 0.93 0.00 0.00 0.00 179.25 180.50 2jwn h GLU 29 N 0.18 1.05 -0.54 0.00 4.39 -2.00 -2.30 114.58 115.36 2jwn h GLU 29 Ca 0.32 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.76 2jwn h GLU 29 Cb 0.50 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2jwn h GLU 29 CO -0.47 0.96 0.36 0.93 -1.16 0.00 0.00 179.01 179.62 2jwn h GLU 30 N 0.99 0.70 0.04 2.33 3.07 -1.60 -1.88 114.58 118.24 2jwn h GLU 30 Ca 0.20 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2jwn h GLU 30 Cb 0.41 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2jwn h GLU 30 CO 0.01 0.46 -0.02 0.87 -1.40 0.00 0.00 179.01 178.93 2jwn h LYS 31 N 0.72 -0.06 -0.81 2.33 1.57 -0.75 -2.80 116.57 116.78 2jwn h LYS 31 Ca 0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2jwn h LYS 31 Cb -0.07 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2jwn h LYS 31 CO -0.04 0.32 0.44 0.87 -0.57 0.00 0.00 179.45 180.46 2jwn h LYS 32 N -0.44 1.12 -0.27 3.15 1.57 -1.22 -0.46 116.57 120.03 2jwn h LYS 32 Ca -0.01 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2jwn h LYS 32 Cb 0.40 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jwn h LYS 32 CO 0.01 0.82 -0.23 0.93 -0.57 0.00 0.00 179.45 180.41 2jwn h GLU 33 N 1.13 0.63 -0.12 3.15 4.39 -1.37 -3.21 114.58 119.18 2jwn h GLU 33 Ca 0.28 -0.32 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 2jwn h GLU 33 Cb 0.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jwn h GLU 33 CO -0.05 0.92 -0.54 -0.84 -1.16 0.00 0.00 179.01 177.34 2jwn h ILE 34 N 0.36 1.35 -0.59 3.13 3.07 -1.30 -3.12 117.51 120.41 2jwn h ILE 34 Ca 0.05 -1.82 0.06 0.00 1.55 0.00 0.00 64.86 64.69 2jwn h ILE 34 Cb 0.78 1.85 -0.03 0.00 -0.27 0.00 0.00 36.82 39.15 2jwn h ILE 34 CO 0.06 0.55 0.39 -0.78 -1.05 0.00 0.00 178.15 177.32 2jwn h ASP 35 N 0.27 0.50 1.48 2.16 1.82 -1.08 0.20 116.42 121.77 2jwn h ASP 35 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2jwn h ASP 35 Cb 1.04 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.94 2jwn h ASP 35 CO 0.09 0.33 0.00 0.11 -1.61 0.00 0.00 179.24 178.16 2jwn h LYS 36 N 0.57 0.00 0.00 0.28 1.57 -1.54 -3.36 116.57 114.09 2jwn h LYS 36 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2jwn h LYS 36 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2jwn h LYS 36 CO -0.07 0.00 -0.08 0.54 -0.57 0.00 0.00 179.45 179.27 2jwn n ARG 37 N -2.53 1.28 -3.70 3.15 1.74 0.04 -4.81 116.66 111.82 2jwn n ARG 37 Ca 0.04 -2.10 -0.31 0.00 -0.77 0.00 0.00 57.85 54.72 2jwn n ARG 37 Cb 0.42 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.46 30.58 2jwn n ARG 37 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jwn s SER 38 N -2.21 6.46 0.11 0.55 0.01 -1.08 -1.03 113.70 116.51 2jwn s SER 38 Ca 0.21 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.99 2jwn s SER 38 Cb 0.19 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2jwn s SER 38 CO 0.02 0.05 0.04 0.68 0.41 0.00 0.00 173.24 174.43 2jwn s VAL 39 N -1.68 0.13 -0.11 3.43 -7.23 -0.42 -0.69 120.40 113.83 2jwn s VAL 39 Ca 0.40 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 2jwn s VAL 39 Cb -0.12 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2jwn s VAL 39 CO 0.26 -0.59 -0.07 -0.47 -0.31 0.00 0.00 175.10 173.92 2jwn s TYR 40 N -4.02 2.95 -0.18 2.82 5.04 0.60 -1.95 117.35 122.61 2jwn s TYR 40 Ca 0.20 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.65 2jwn s TYR 40 Cb 0.08 -1.82 0.03 0.00 0.35 0.00 0.00 41.96 40.59 2jwn s TYR 40 CO -0.01 0.12 -0.16 0.08 -1.34 0.00 0.00 175.55 174.24 2jwn s VAL 41 N -0.21 1.87 0.36 3.14 1.01 0.31 -1.72 120.40 125.16 2jwn s VAL 41 Ca 0.03 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2jwn s VAL 41 Cb -0.13 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2jwn s VAL 41 CO 0.03 0.40 0.18 -0.83 0.00 0.00 0.00 175.10 174.88 2jwn s GLY 42 N 1.34 2.02 -1.56 4.51 0.00 0.14 0.69 107.32 114.46 2jwn s GLY 42 Ca 0.03 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.88 2jwn s GLY 42 CO -0.11 -1.76 0.00 -2.01 0.00 0.00 0.00 173.10 169.22 2jwn n ASN 43 N -1.22 -4.91 -4.77 1.64 5.15 -0.99 -2.70 115.26 107.47 2jwn n ASN 43 Ca -0.02 0.17 -0.41 0.00 -0.60 0.00 0.00 54.58 53.72 2jwn n ASN 43 Cb 0.62 -4.19 -0.01 0.00 -0.53 0.00 0.00 39.78 35.67 2jwn n ASN 43 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2jwn s VAL 44 N -2.75 2.17 0.50 3.44 0.11 -0.85 -4.76 120.40 118.25 2jwn s VAL 44 Ca 0.00 0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 2jwn s VAL 44 Cb 0.00 -3.10 -0.08 0.00 -1.53 0.00 0.00 36.38 31.67 2jwn s VAL 44 CO 0.00 0.04 1.04 -0.62 -3.33 0.00 0.00 175.10 172.23 2jwn s ASP 45 N -0.02 6.26 0.26 3.54 -1.08 -1.26 -3.23 116.67 121.14 2jwn s ASP 45 Ca 0.55 1.93 0.21 0.00 -0.52 0.00 0.00 52.55 54.72 2jwn s ASP 45 Cb -0.46 -2.56 0.98 0.00 -1.46 0.00 0.00 42.92 39.43 2jwn s ASP 45 CO 0.57 -0.84 1.64 0.00 0.52 0.00 0.00 175.17 177.07 2jwn n TYR 46 N -1.07 0.69 1.06 -5.34 9.36 -1.26 -1.01 117.16 119.59 2jwn n TYR 46 Ca 0.09 0.31 0.11 0.00 3.32 0.00 0.00 57.90 61.74 2jwn n TYR 46 Cb 0.52 -1.00 0.11 0.00 -0.63 0.00 0.00 39.34 38.34 2jwn n TYR 46 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2jwn n GLY 47 N -0.61 -0.68 3.73 2.98 0.00 -1.26 -4.91 105.19 104.44 2jwn n GLY 47 Ca 0.01 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2jwn n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 48 N -2.74 7.48 0.48 1.61 0.01 -0.18 -5.05 113.70 115.32 2jwn s SER 48 Ca 0.15 1.77 0.06 0.00 1.31 0.00 0.00 55.95 59.24 2jwn s SER 48 Cb 0.18 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.85 2jwn s SER 48 CO 0.67 -0.09 0.66 0.42 0.41 0.00 0.00 173.24 175.31 2jwn s THR 49 N 0.14 2.82 0.14 1.44 -4.23 -1.26 -4.90 115.64 109.79 2jwn s THR 49 Ca 0.48 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 59.95 2jwn s THR 49 Cb -0.23 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.68 2jwn s THR 49 CO 0.30 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 176.10 2jwn h ALA 50 N 0.40 0.53 -0.57 3.99 0.00 -1.99 -1.65 119.26 119.97 2jwn h ALA 50 Ca -0.40 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2jwn h ALA 50 Cb 1.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2jwn h ALA 50 CO 0.47 0.09 0.32 0.37 0.00 0.00 0.00 179.25 180.50 2jwn h GLN 51 N 0.53 0.60 -0.71 0.00 -0.00 -1.98 0.24 115.11 113.79 2jwn h GLN 51 Ca 0.14 -0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.83 2jwn h GLN 51 Cb 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 27.48 27.39 2jwn h GLN 51 CO -0.02 0.40 0.39 -0.44 0.00 0.00 0.00 178.83 179.16 2jwn h ASP 52 N 0.62 0.55 -0.08 -0.69 3.32 -1.87 -0.10 116.42 118.18 2jwn h ASP 52 Ca 0.24 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 2jwn h ASP 52 Cb 0.09 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2jwn h ASP 52 CO -0.13 0.34 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.53 2jwn h LEU 53 N 0.69 0.24 -0.23 1.55 3.38 -0.68 -2.25 115.31 118.02 2jwn h LEU 53 Ca 0.33 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2jwn h LEU 53 Cb 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2jwn h LEU 53 CO -0.22 0.73 0.13 -0.08 0.09 0.00 0.00 178.44 179.09 2jwn h GLU 54 N -0.24 0.26 -0.73 1.13 4.22 -0.31 -0.07 114.58 118.84 2jwn h GLU 54 Ca 0.01 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2jwn h GLU 54 Cb 0.68 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2jwn h GLU 54 CO 0.03 0.17 0.47 0.00 -2.18 0.00 0.00 179.01 177.50 2jwn h ALA 55 N 1.10 0.93 -0.60 2.92 0.00 -1.07 0.22 119.26 122.76 2jwn h ALA 55 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2jwn h ALA 55 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2jwn h ALA 55 CO -0.05 0.37 0.17 1.25 0.00 0.00 0.00 179.25 180.99 2jwn h HIS 56 N 1.00 0.98 0.00 0.00 -0.00 -0.76 -1.94 115.15 114.43 2jwn h HIS 56 Ca 0.27 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 2jwn h HIS 56 Cb -0.08 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.04 2jwn h HIS 56 CO -0.02 0.82 -0.17 0.74 -0.00 0.00 0.00 177.93 179.30 2jwn h PHE 57 N 0.86 0.00 0.00 5.26 0.04 -0.87 -3.26 116.94 118.98 2jwn h PHE 57 Ca 0.19 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 2jwn h PHE 57 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 2jwn h PHE 57 CO 0.02 0.05 -0.19 1.03 -0.60 0.00 0.00 178.31 178.62 2jwn h SER 58 N 0.00 0.00 -0.37 2.17 0.87 0.24 -0.15 113.55 116.31 2jwn h SER 58 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jwn h SER 58 Cb 1.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2jwn h SER 58 CO 0.01 0.19 0.24 0.28 -0.53 0.00 0.00 176.83 177.02 2jwn h SER 59 N 0.00 0.43 -0.22 6.23 0.02 -1.55 -2.51 113.55 115.95 2jwn h SER 59 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2jwn h SER 59 Cb 0.44 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2jwn h SER 59 CO 0.03 0.32 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 2jwn n GLY 61 N 1.25 -0.84 3.63 0.00 0.00 -0.95 -4.27 105.19 104.01 2jwn n GLY 61 Ca 0.17 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 2jwn n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 62 N -4.00 5.76 -0.16 1.61 0.01 -1.26 -4.23 113.70 111.43 2jwn s SER 62 Ca 0.00 0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.19 2jwn s SER 62 Cb 0.00 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 2jwn s SER 62 CO 0.00 0.13 0.32 -0.63 0.41 0.00 0.00 173.24 173.46 2jwn s ILE 63 N 0.68 5.29 -0.18 1.44 1.01 -1.26 0.47 121.20 128.65 2jwn s ILE 63 Ca 0.05 0.60 -0.13 0.00 0.00 0.00 0.00 60.65 61.18 2jwn s ILE 63 Cb -0.13 -3.66 -0.22 0.00 0.01 0.00 0.00 42.46 38.47 2jwn s ILE 63 CO 0.01 0.38 0.21 0.59 0.00 0.00 0.00 174.94 176.13 2jwn n ASN 64 N 3.59 2.00 -3.71 3.58 3.02 0.51 -4.82 115.26 119.43 2jwn n ASN 64 Ca -0.11 0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.62 2jwn n ASN 64 Cb 0.52 -0.87 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jwn s ARG 65 N -2.47 0.98 -0.08 3.52 0.52 -1.03 -5.02 118.95 115.38 2jwn s ARG 65 Ca -0.27 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.07 2jwn s ARG 65 Cb 0.07 0.42 0.03 0.00 0.52 0.00 0.00 34.95 35.99 2jwn s ARG 65 CO 0.67 -0.36 0.29 0.96 0.02 0.00 0.00 175.30 176.87 2jwn s ILE 66 N -3.70 0.02 -0.06 1.52 -4.36 -1.26 -0.41 121.20 112.95 2jwn s ILE 66 Ca 0.03 -0.19 0.03 0.00 -0.26 0.00 0.00 60.65 60.26 2jwn s ILE 66 Cb 0.02 -0.47 0.00 0.00 1.25 0.00 0.00 42.46 43.27 2jwn s ILE 66 CO -0.11 -0.10 -0.16 -0.89 0.24 0.00 0.00 174.94 173.92 2jwn s THR 67 N -0.37 1.41 -0.11 8.37 2.01 0.83 -4.97 115.64 122.81 2jwn s THR 67 Ca -0.05 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2jwn s THR 67 Cb -0.03 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.26 2jwn s THR 67 CO 0.02 0.41 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 2jwn s ILE 68 N 0.35 1.22 -0.13 1.82 1.09 -1.26 0.42 121.20 124.71 2jwn s ILE 68 Ca -0.11 -0.45 0.02 0.00 -1.10 0.00 0.00 60.65 59.01 2jwn s ILE 68 Cb -0.14 -1.17 0.01 0.00 -1.06 0.00 0.00 42.46 40.10 2jwn s ILE 68 CO 0.04 0.39 -0.21 -1.48 -0.10 0.00 0.00 174.94 173.59 2jwn s LEU 69 N 1.30 2.02 -0.13 2.97 2.34 0.15 -4.97 118.68 122.36 2jwn s LEU 69 Ca -0.02 -0.56 0.01 0.00 0.06 0.00 0.00 54.13 53.62 2jwn s LEU 69 Cb -0.14 -1.36 -0.01 0.00 -0.56 0.00 0.00 46.19 44.12 2jwn s LEU 69 CO -0.05 0.07 -0.17 0.00 -1.06 0.00 0.00 176.35 175.14 2jwn s ASP 71 N 0.49 3.17 -0.05 0.00 -4.77 -0.88 -4.89 116.67 109.73 2jwn s ASP 71 Ca -0.12 -0.80 0.07 0.00 -3.30 0.00 0.00 52.55 48.41 2jwn s ASP 71 Cb -0.16 -0.21 0.11 0.00 -1.09 0.00 0.00 42.92 41.56 2jwn s ASP 71 CO 0.05 0.12 0.98 1.17 0.70 0.00 0.00 175.17 178.19 2jwn n LYS 72 N 0.63 1.30 0.29 2.11 4.81 -1.26 0.11 118.16 126.15 2jwn n LYS 72 Ca -0.16 -1.66 0.18 0.00 -0.87 0.00 0.00 58.31 55.81 2jwn n LYS 72 Cb 0.55 -1.01 0.84 0.00 0.02 0.00 0.00 35.03 35.42 2jwn n LYS 72 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2jwn h PHE 73 N 0.00 0.00 -0.24 5.64 -5.15 -1.95 0.12 116.94 115.37 2jwn h PHE 73 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2jwn h PHE 73 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.12 2jwn h PHE 73 CO 0.02 0.02 0.00 0.43 -2.00 0.00 0.00 178.31 176.78 2jwn n SER 74 N -3.15 1.34 0.00 -0.68 7.64 -1.26 -4.91 113.62 112.60 2jwn n SER 74 Ca -0.01 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.93 2jwn n SER 74 Cb 0.24 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jwn n GLY 75 N 0.92 2.09 3.72 0.23 0.00 0.42 -4.92 105.19 107.65 2jwn n GLY 75 Ca 0.10 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 2jwn n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jwn s HIS 76 N -0.18 3.45 -0.15 1.61 3.76 -1.26 -4.96 115.29 117.56 2jwn s HIS 76 Ca 0.00 0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 55.24 2jwn s HIS 76 Cb 0.00 -2.39 -0.02 0.00 1.11 0.00 0.00 32.58 31.27 2jwn s HIS 76 CO 0.00 0.19 1.40 -1.25 -0.85 0.00 0.00 174.74 174.22 2jwn s PRO 77 N 0.63 4.16 0.00 8.40 0.04 -1.25 -4.47 135.00 142.51 2jwn s PRO 77 Ca 0.18 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2jwn s PRO 77 Cb -0.13 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2jwn s PRO 77 CO 0.05 -0.82 0.00 1.63 0.04 0.00 0.00 177.00 177.90 2jwn n LYS 78 N 6.88 2.41 -3.60 4.56 5.02 0.31 -4.57 118.16 129.18 2jwn n LYS 78 Ca 0.15 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.36 2jwn n LYS 78 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.40 2jwn n LYS 78 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jwn s GLY 79 N -1.03 -0.16 -0.09 0.72 0.00 -1.20 -2.07 107.32 103.50 2jwn s GLY 79 Ca 0.00 2.32 -0.13 0.00 0.00 0.00 0.00 44.72 46.91 2jwn s GLY 79 CO 0.00 1.17 0.33 -2.52 0.00 0.00 0.00 173.10 172.08 2jwn s TYR 80 N -0.91 -0.31 0.11 1.90 1.13 0.71 -2.01 117.35 117.97 2jwn s TYR 80 Ca 0.01 0.70 0.04 0.00 -1.41 0.00 0.00 57.07 56.41 2jwn s TYR 80 Cb -0.01 0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 2jwn s TYR 80 CO -0.02 -0.26 -0.11 0.00 -2.51 0.00 0.00 175.55 172.66 2jwn s ALA 81 N -0.35 1.22 -0.12 9.51 0.00 0.22 0.29 121.76 132.52 2jwn s ALA 81 Ca -0.05 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.67 2jwn s ALA 81 Cb -0.03 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2jwn s ALA 81 CO 0.02 -0.03 -0.16 0.71 0.00 0.00 0.00 175.76 176.29 2jwn s TYR 82 N -2.57 2.12 -0.20 0.00 1.51 0.17 0.11 117.35 118.49 2jwn s TYR 82 Ca 0.08 -1.04 -0.05 0.00 -1.01 0.00 0.00 57.07 55.05 2jwn s TYR 82 Cb -0.02 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 2jwn s TYR 82 CO 0.00 -0.53 -0.01 0.42 -1.11 0.00 0.00 175.55 174.33 2jwn s ILE 83 N 1.02 3.88 -0.27 2.71 -1.09 -0.82 -0.12 121.20 126.51 2jwn s ILE 83 Ca -0.05 -0.34 -0.10 0.00 -2.23 0.00 0.00 60.65 57.93 2jwn s ILE 83 Cb -0.15 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2jwn s ILE 83 CO -0.03 0.44 0.15 -0.70 -1.23 0.00 0.00 174.94 173.57 2jwn s GLU 84 N 0.96 3.80 0.23 2.79 2.12 0.46 -1.30 118.70 127.75 2jwn s GLU 84 Ca 0.01 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 54.95 2jwn s GLU 84 Cb -0.14 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 2jwn s GLU 84 CO 0.02 -0.21 0.38 -0.06 -0.54 0.00 0.00 175.26 174.85 2jwn s PHE 85 N 1.70 3.48 0.12 5.30 0.08 -0.20 -0.36 117.98 128.09 2jwn s PHE 85 Ca 0.07 0.18 -0.14 0.00 0.12 0.00 0.00 56.93 57.15 2jwn s PHE 85 Cb -0.16 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2jwn s PHE 85 CO 0.08 0.38 1.53 0.00 -0.10 0.00 0.00 175.22 177.12 2jwn h ALA 86 N 1.55 0.52 -2.75 5.36 0.00 -0.30 -3.43 119.26 120.22 2jwn h ALA 86 Ca -0.50 -0.30 -0.60 0.00 0.00 0.00 0.00 54.91 53.51 2jwn h ALA 86 Cb 1.21 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 2jwn h ALA 86 CO 0.65 0.37 -0.68 -1.21 0.00 0.00 0.00 179.25 178.37 2jwn s GLU 87 N -4.83 2.23 0.23 0.00 2.02 -1.26 -5.01 118.70 112.08 2jwn s GLU 87 Ca -0.13 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.61 2jwn s GLU 87 Cb 0.10 -2.22 0.24 0.00 0.10 0.00 0.00 34.13 32.35 2jwn s GLU 87 CO 0.81 0.42 1.59 -0.09 0.02 0.00 0.00 175.26 178.01 2jwn h ARG 88 N 2.58 0.47 0.00 1.61 1.12 -1.87 -2.86 114.38 115.43 2jwn h ARG 88 Ca -0.46 -0.25 -0.01 0.00 -1.11 0.00 0.00 59.98 58.15 2jwn h ARG 88 Cb 1.22 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 31.19 2jwn h ARG 88 CO 0.57 0.83 -0.04 -2.95 -3.11 0.00 0.00 179.97 175.27 2jwn h ASN 89 N 0.38 0.00 -0.15 -3.80 7.08 -1.95 -0.18 115.58 116.96 2jwn h ASN 89 Ca 0.03 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.13 2jwn h ASN 89 Cb 0.94 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.17 2jwn h ASN 89 CO 0.08 0.04 -0.29 0.28 -2.08 0.00 0.00 177.43 175.46 2jwn h SER 90 N 0.00 0.65 -0.42 6.14 0.02 -1.68 -1.99 113.55 116.27 2jwn h SER 90 Ca -0.00 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.55 2jwn h SER 90 Cb 0.28 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2jwn h SER 90 CO 0.00 0.91 -0.33 -0.37 -1.14 0.00 0.00 176.83 175.90 2jwn h VAL 91 N 0.55 1.27 -0.73 2.27 -1.51 -1.14 -0.27 116.25 116.69 2jwn h VAL 91 Ca 0.07 -1.51 0.08 0.00 -1.23 0.00 0.00 66.70 64.11 2jwn h VAL 91 Cb 0.77 1.30 -0.05 0.00 -2.13 0.00 0.00 31.29 31.19 2jwn h VAL 91 CO 0.06 0.51 0.48 0.44 -1.23 0.00 0.00 177.57 177.83 2jwn h ASP 92 N 0.80 0.61 0.21 4.19 5.19 -1.36 0.44 116.42 126.50 2jwn h ASP 92 Ca 0.08 0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 56.29 2jwn h ASP 92 Cb 0.93 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2jwn h ASP 92 CO 0.09 0.38 -0.82 0.00 -3.12 0.00 0.00 179.24 175.77 2jwn h ALA 93 N 1.62 0.46 0.03 3.45 0.00 -0.86 -3.28 119.26 120.67 2jwn h ALA 93 Ca 0.33 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 2jwn h ALA 93 Cb 0.37 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.14 2jwn h ALA 93 CO -0.11 0.76 -0.83 0.00 0.00 0.00 0.00 179.25 179.07 2jwn h ALA 94 N 0.79 0.07 -0.08 0.00 0.00 0.24 -3.22 119.26 117.05 2jwn h ALA 94 Ca -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.24 2jwn h ALA 94 Cb 1.42 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2jwn h ALA 94 CO 0.15 0.49 0.18 -0.39 0.00 0.00 0.00 179.25 179.68 2jwn h VAL 95 N 0.07 0.20 0.00 0.00 -1.51 -0.28 0.88 116.25 115.62 2jwn h VAL 95 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2jwn h VAL 95 Cb 1.53 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2jwn h VAL 95 CO 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.50 2jwn n ALA 96 N -2.14 1.65 0.27 5.19 0.00 -1.22 -1.55 120.51 122.72 2jwn n ALA 96 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2jwn n ALA 96 Cb 0.27 -1.22 0.15 0.00 0.00 0.00 0.00 19.45 18.64 2jwn n ALA 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jwn n MET 97 N -1.46 2.03 -0.38 0.00 2.81 0.30 -4.72 117.12 115.69 2jwn n MET 97 Ca 0.04 -1.90 0.30 0.00 -1.81 0.00 0.00 57.70 54.33 2jwn n MET 97 Cb 0.15 -1.37 0.58 0.00 -0.71 0.00 0.00 33.22 31.87 2jwn n MET 97 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2jwn h ASP 98 N 3.26 0.35 -4.09 7.83 2.03 -1.38 -2.79 116.42 121.64 2jwn h ASP 98 Ca 0.00 0.13 -0.68 0.00 -0.73 0.00 0.00 57.03 55.76 2jwn h ASP 98 Cb 0.78 0.10 -0.37 0.00 -0.83 0.00 0.00 39.33 39.01 2jwn h ASP 98 CO 0.00 -0.10 -0.49 -0.70 -1.03 0.00 0.00 179.24 176.91 2jwn s GLU 99 N -5.42 2.24 0.25 4.15 2.12 -1.26 -3.57 118.70 117.20 2jwn s GLU 99 Ca -0.08 -2.42 0.01 0.00 0.36 0.00 0.00 54.97 52.84 2jwn s GLU 99 Cb 0.29 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2jwn s GLU 99 CO 0.81 -1.12 0.15 0.95 -0.54 0.00 0.00 175.26 175.51 2jwn s THR 100 N 0.09 0.14 -0.13 -1.70 -4.23 -1.05 -5.02 115.64 103.73 2jwn s THR 100 Ca 0.15 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 2jwn s THR 100 Cb -0.22 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.10 2jwn s THR 100 CO -0.03 0.00 -0.22 0.54 -0.54 0.00 0.00 174.62 174.37 2jwn s VAL 101 N -3.89 2.10 -0.10 2.29 0.11 -1.26 -0.80 120.40 118.85 2jwn s VAL 101 Ca 0.38 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 2jwn s VAL 101 Cb 0.06 -1.83 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 2jwn s VAL 101 CO 0.16 0.55 -0.11 0.12 -3.33 0.00 0.00 175.10 172.49 2jwn s PHE 102 N 0.70 1.61 -1.09 1.54 5.36 0.13 -4.73 117.98 121.50 2jwn s PHE 102 Ca -0.10 -0.75 -0.05 0.00 -0.96 0.00 0.00 56.93 55.07 2jwn s PHE 102 Cb -0.16 -1.24 0.04 0.00 -0.34 0.00 0.00 43.02 41.32 2jwn s PHE 102 CO 0.01 -0.45 0.28 -2.13 -1.46 0.00 0.00 175.22 171.47 2jwn n ARG 103 N 4.45 -2.93 -0.71 10.12 0.63 -1.26 -0.61 116.66 126.35 2jwn n ARG 103 Ca -0.17 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 2jwn n ARG 103 Cb 0.51 -5.12 0.00 0.00 0.45 0.00 0.00 32.46 28.29 2jwn n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jwn n GLY 104 N -0.98 0.84 3.69 5.14 0.00 -1.26 -5.03 105.19 107.59 2jwn n GLY 104 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2jwn n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jwn s ARG 105 N -0.29 2.99 -0.25 1.61 0.52 0.22 -5.07 118.95 118.68 2jwn s ARG 105 Ca 0.00 -0.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 2jwn s ARG 105 Cb 0.00 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.68 2jwn s ARG 105 CO 0.00 0.70 1.03 0.99 0.02 0.00 0.00 175.30 178.04 2jwn s THR 106 N -0.91 4.66 0.41 0.02 2.01 -1.26 0.21 115.64 120.78 2jwn s THR 106 Ca 0.14 1.92 0.08 0.00 0.31 0.00 0.00 61.69 64.14 2jwn s THR 106 Cb -0.11 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.08 2jwn s THR 106 CO 0.03 -0.24 0.52 0.27 -0.69 0.00 0.00 174.62 174.51 2jwn s ILE 107 N 3.26 3.04 -0.03 1.82 -4.36 0.02 -4.71 121.20 120.25 2jwn s ILE 107 Ca 0.43 -1.08 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 2jwn s ILE 107 Cb -0.14 -3.04 0.01 0.00 1.25 0.00 0.00 42.46 40.54 2jwn s ILE 107 CO 0.08 -0.02 -0.05 -0.75 0.24 0.00 0.00 174.94 174.44 2jwn s LYS 108 N -4.28 0.65 -0.09 0.37 2.47 -1.10 -3.63 119.74 114.13 2jwn s LYS 108 Ca 0.52 -0.14 0.02 0.00 -1.56 0.00 0.00 55.97 54.81 2jwn s LYS 108 Cb -0.09 -0.66 0.01 0.00 -1.46 0.00 0.00 37.83 35.64 2jwn s LYS 108 CO 0.32 0.01 -0.13 0.14 0.16 0.00 0.00 175.35 175.85 2jwn s VAL 109 N 0.45 1.29 -0.04 4.02 -7.23 -1.23 0.25 120.40 117.91 2jwn s VAL 109 Ca -0.06 -0.54 -0.08 0.00 -1.81 0.00 0.00 61.98 59.50 2jwn s VAL 109 Cb -0.09 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.67 2jwn s VAL 109 CO -0.00 0.40 0.19 -1.48 -0.31 0.00 0.00 175.10 173.90 2jwn s LEU 110 N 0.92 1.29 0.36 1.32 -0.00 -0.70 -4.43 118.68 117.44 2jwn s LEU 110 Ca -0.09 0.16 -0.28 0.00 -0.00 0.00 0.00 54.13 53.92 2jwn s LEU 110 Cb -0.15 0.76 -0.11 0.00 -0.00 0.00 0.00 46.19 46.69 2jwn s LEU 110 CO 0.00 -0.22 1.42 -2.84 -0.00 0.00 0.00 176.35 174.72 2jwn s PRO 111 N -0.58 4.20 0.28 1.48 0.02 -1.26 -0.29 135.00 138.84 2jwn s PRO 111 Ca -0.07 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 2jwn s PRO 111 Cb -0.04 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.46 2jwn s PRO 111 CO 0.01 -0.41 0.35 0.15 -0.33 0.00 0.00 177.00 176.77 2jwn s LYS 112 N -1.95 1.60 -0.21 5.54 1.02 0.13 -4.66 119.74 121.22 2jwn s LYS 112 Ca 0.52 -1.62 0.14 0.00 0.02 0.00 0.00 55.97 55.02 2jwn s LYS 112 Cb -0.44 0.39 -0.23 0.00 -0.52 0.00 0.00 37.83 37.02 2jwn s LYS 112 CO 0.59 -0.62 0.03 0.54 -0.92 0.00 0.00 175.35 174.97 2jwn n ARG 113 N -0.44 0.68 0.00 1.68 5.12 -1.13 -3.48 116.66 119.09 2jwn n ARG 113 Ca 0.01 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2jwn n ARG 113 Cb 0.63 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 2jwn n ARG 113 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2jwn n THR 114 N -2.89 0.00 0.00 0.55 -1.04 -0.71 -3.68 114.28 106.51 2jwn n THR 114 Ca -0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2jwn n THR 114 Cb 1.12 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.63 2jwn n THR 114 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2jwn n ASN 115 N 3.08 0.00 -1.94 8.00 5.15 -1.26 -1.21 115.26 127.08 2jwn n ASN 115 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 2jwn n ASN 115 Cb 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 2jwn n ASN 115 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2jwn n MET 116 N 0.00 -0.99 0.00 1.20 2.81 -1.24 -4.90 117.12 114.00 2jwn n MET 116 Ca 0.00 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 2jwn n MET 116 Cb 0.00 -2.95 0.00 0.00 -0.71 0.00 0.00 33.22 29.56 2jwn n MET 116 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2jwn n PRO 117 N -1.99 0.00 -3.44 0.03 -0.02 -1.26 -4.82 135.00 123.51 2jwn n PRO 117 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2jwn n PRO 117 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2jwn n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwn n GLY 118 N -0.48 -1.75 3.88 -1.23 0.00 -1.26 -4.75 105.19 99.60 2jwn n GLY 118 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2jwn n GLY 118 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jwn s ILE 119 N -2.24 0.00 -0.92 -0.61 2.07 -1.26 -5.04 121.20 113.20 2jwn s ILE 119 Ca 0.00 -0.35 -0.24 0.00 -1.41 0.00 0.00 60.65 58.65 2jwn s ILE 119 Cb 0.00 -2.74 0.02 0.00 0.13 0.00 0.00 42.46 39.87 2jwn s ILE 119 CO 0.00 0.00 1.55 -0.44 -1.91 0.00 0.00 174.94 174.14 2jwn s SER 120 N -3.50 6.07 0.15 4.50 0.01 -1.26 -4.76 113.70 114.91 2jwn s SER 120 Ca 0.24 -0.98 -0.34 0.00 1.31 0.00 0.00 55.95 56.17 2jwn s SER 120 Cb -0.00 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.52 2jwn s SER 120 CO 0.01 -1.89 1.51 -1.20 0.41 0.00 0.00 173.24 172.08 2jwn n SER 121 N 10.32 2.75 -3.51 2.44 7.64 -1.26 -4.98 113.62 127.01 2jwn n SER 121 Ca 0.28 1.10 -0.12 0.00 1.01 0.00 0.00 58.87 61.14 2jwn n SER 121 Cb 0.50 -1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.28 2jwn n SER 121 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jwn s THR 122 N 0.71 0.00 0.00 0.44 -1.32 -1.26 -5.13 115.64 109.08 2jwn s THR 122 Ca 0.79 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.27 2jwn s THR 122 Cb -0.73 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 2jwn s THR 122 CO 0.41 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 172.15 2jwn n ASP 123 N 0.26 0.00 -0.30 8.08 2.03 -1.26 -4.44 116.55 120.92 2jwn n ASP 123 Ca -0.13 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.21 2jwn n ASP 123 Cb 0.60 0.17 0.03 0.00 -0.72 0.00 0.00 41.12 41.20 2jwn n ASP 123 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14