#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 4.38 0.17 0.00 -5.25 -1.26 -4.99 121.20 114.25 2jwn s ILE 2 Ca 0.00 1.16 -0.10 0.00 -0.99 0.00 0.00 60.65 60.72 2jwn s ILE 2 Cb 0.00 -4.49 -0.01 0.00 2.95 0.00 0.00 42.46 40.92 2jwn s ILE 2 CO 0.00 -0.81 0.31 0.00 -1.79 0.00 0.00 174.94 172.65 2jwn s ALA 3 N 4.00 -0.09 -0.67 2.27 0.00 -1.26 -5.07 121.76 120.94 2jwn s ALA 3 Ca 0.43 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 2jwn s ALA 3 Cb -0.09 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 23.78 2jwn s ALA 3 CO 0.26 -0.67 2.42 -2.30 0.00 0.00 0.00 175.76 175.47 2jwn n PRO 4 N -0.23 0.75 -3.51 0.00 -0.02 -1.26 -4.79 135.00 125.93 2jwn n PRO 4 Ca -0.07 -0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 60.80 2jwn n PRO 4 Cb 0.63 -3.58 -0.02 0.00 -0.02 0.00 0.00 33.50 30.51 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 -0.35 -1.57 -3.93 0.00 2.81 -1.26 -4.88 117.12 107.93 2jwn n MET 6 Ca -0.12 1.20 -0.35 0.00 -1.81 0.00 0.00 57.70 56.62 2jwn n MET 6 Cb 0.63 -1.87 -0.14 0.00 -0.71 0.00 0.00 33.22 31.13 2jwn n MET 6 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2jwn s GLN 7 N -2.85 3.30 -0.58 0.03 0.74 -1.26 -5.06 119.66 113.98 2jwn s GLN 7 Ca 0.00 -0.67 -0.27 0.00 0.05 0.00 0.00 55.36 54.46 2jwn s GLN 7 Cb 0.00 -2.97 0.03 0.00 1.10 0.00 0.00 33.01 31.18 2jwn s GLN 7 CO 0.00 -0.22 1.15 0.95 -0.55 0.00 0.00 175.29 176.62 2jwn s THR 8 N 1.45 4.07 -0.07 -0.34 -4.23 -1.26 -5.00 115.64 110.27 2jwn s THR 8 Ca 0.05 0.76 -0.21 0.00 -1.18 0.00 0.00 61.69 61.12 2jwn s THR 8 Cb -0.14 -4.70 -0.04 0.00 1.34 0.00 0.00 72.50 68.95 2jwn s THR 8 CO -0.04 -1.32 0.61 0.42 -0.54 0.00 0.00 174.62 173.74 2jwn s THR 9 N 4.80 5.06 -0.88 3.99 -4.23 -1.26 -4.62 115.64 118.50 2jwn s THR 9 Ca 0.40 1.25 0.22 0.00 -1.18 0.00 0.00 61.69 62.38 2jwn s THR 9 Cb -0.08 -3.95 -0.18 0.00 1.34 0.00 0.00 72.50 69.63 2jwn s THR 9 CO 0.24 0.31 0.98 1.41 -0.54 0.00 0.00 174.62 177.02 2jwn n HIS 10 N 3.50 0.03 -4.29 3.99 8.25 -0.97 -4.99 115.22 120.74 2jwn n HIS 10 Ca -0.04 0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.27 2jwn n HIS 10 Cb 0.51 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 2jwn n HIS 10 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2jwn n SER 11 N -1.61 0.76 -4.27 0.41 3.41 -1.26 -4.75 113.62 106.31 2jwn n SER 11 Ca 0.03 -2.39 -0.40 0.00 -0.26 0.00 0.00 58.87 55.85 2jwn n SER 11 Cb 0.36 0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 64.97 2jwn n SER 11 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jwn s LYS 12 N -2.96 2.61 -0.05 4.33 1.02 -1.26 -4.99 119.74 118.43 2jwn s LYS 12 Ca 0.16 -1.46 0.02 0.00 0.02 0.00 0.00 55.97 54.71 2jwn s LYS 12 Cb 0.01 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2jwn s LYS 12 CO 0.11 -0.95 -0.08 1.41 -0.92 0.00 0.00 175.35 174.92 2jwn s MET 13 N 1.43 2.68 0.08 1.68 1.75 -1.26 -5.11 119.30 120.55 2jwn s MET 13 Ca 0.03 -0.59 -0.18 0.00 -1.25 0.00 0.00 55.69 53.70 2jwn s MET 13 Cb -0.23 -2.55 -0.07 0.00 2.84 0.00 0.00 34.83 34.83 2jwn s MET 13 CO 0.02 0.65 0.55 -0.08 -0.65 0.00 0.00 175.02 175.51 2jwn s THR 14 N -0.83 4.79 -0.34 10.11 -1.32 -1.26 -5.03 115.64 121.76 2jwn s THR 14 Ca 0.13 1.11 -0.29 0.00 -1.21 0.00 0.00 61.69 61.43 2jwn s THR 14 Cb -0.11 -3.85 0.01 0.00 -1.51 0.00 0.00 72.50 67.05 2jwn s THR 14 CO 0.02 0.50 1.14 0.00 -2.21 0.00 0.00 174.62 174.07 2jwn s ALA 15 N -1.17 3.42 0.00 11.08 0.00 -1.26 -4.22 121.76 129.61 2jwn s ALA 15 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2jwn s ALA 15 Cb -0.18 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2jwn s ALA 15 CO 0.18 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.70 2jwn n GLY 16 N 4.11 1.22 3.22 0.00 0.00 -1.26 -5.07 105.19 107.40 2jwn n GLY 16 Ca 0.13 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2jwn n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwn s ALA 17 N -1.10 -0.70 -0.15 4.61 0.00 -1.26 -5.13 121.76 118.03 2jwn s ALA 17 Ca 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 2jwn s ALA 17 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2jwn s ALA 17 CO 0.00 -0.26 0.77 0.71 0.00 0.00 0.00 175.76 176.98 2jwn s TYR 18 N -1.40 3.44 -0.06 0.00 2.02 -1.26 -4.81 117.35 115.28 2jwn s TYR 18 Ca -0.13 1.19 -0.08 0.00 -0.37 0.00 0.00 57.07 57.67 2jwn s TYR 18 Cb -0.05 -2.93 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 2jwn s TYR 18 CO 0.03 -0.16 0.22 -0.08 -1.57 0.00 0.00 175.55 173.99 2jwn s THR 19 N 1.82 0.02 -0.06 -0.71 -1.32 -1.26 -3.95 115.64 110.18 2jwn s THR 19 Ca 0.36 -0.16 0.12 0.00 -1.21 0.00 0.00 61.69 60.80 2jwn s THR 19 Cb -0.17 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 2jwn s THR 19 CO 0.13 -0.09 1.37 -0.33 -2.21 0.00 0.00 174.62 173.49 2jwn h GLU 20 N 5.36 0.00 0.00 7.08 3.07 -1.90 -3.50 114.58 124.69 2jwn h GLU 20 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2jwn h GLU 20 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2jwn h GLU 20 CO 0.38 0.68 0.00 0.41 -1.40 0.00 0.00 179.01 179.08 2jwn n GLY 21 N 1.28 -0.54 0.37 -3.84 0.00 -1.26 -4.93 105.19 96.27 2jwn n GLY 21 Ca 0.01 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.68 -6.49 1.61 0.11 -2.05 -3.42 132.00 122.45 2jwn h PRO 22 Ca 0.00 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.48 2jwn h PRO 22 Cb 0.00 -0.15 0.06 0.00 0.11 0.00 0.00 31.00 31.01 2jwn h PRO 22 CO 0.00 0.45 0.80 -2.30 -0.21 0.00 0.00 178.00 176.74 2jwn n PRO 23 N -4.62 2.12 -1.66 1.05 -0.02 -1.26 -4.91 135.00 125.70 2jwn n PRO 23 Ca 0.20 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 2jwn n PRO 23 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2jwn n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwn n GLN 24 N 3.49 1.75 -1.77 -0.52 0.00 -1.26 -4.35 117.38 114.72 2jwn n GLN 24 Ca 0.17 0.62 -0.43 0.00 0.00 0.00 0.00 57.00 57.36 2jwn n GLN 24 Cb 0.28 -2.18 -0.03 0.00 0.00 0.00 0.00 30.24 28.32 2jwn n GLN 24 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 2jwn s PRO 25 N -1.93 3.60 1.06 2.61 0.02 -1.26 -4.87 135.00 134.22 2jwn s PRO 25 Ca 0.59 2.08 -0.12 0.00 0.02 0.00 0.00 61.00 63.57 2jwn s PRO 25 Cb -0.58 -4.22 0.22 0.00 0.02 0.00 0.00 34.50 29.95 2jwn s PRO 25 CO 0.60 -1.56 1.07 -0.51 -0.33 0.00 0.00 177.00 176.26 2jwn s LEU 26 N 6.36 1.63 0.50 -5.54 1.02 -1.25 -4.93 118.68 116.47 2jwn s LEU 26 Ca 0.89 1.73 -0.23 0.00 0.02 0.00 0.00 54.13 56.54 2jwn s LEU 26 Cb -0.33 -3.85 -0.07 0.00 0.02 0.00 0.00 46.19 41.97 2jwn s LEU 26 CO 0.36 -3.69 1.34 -1.20 0.02 0.00 0.00 176.35 173.17 2jwn n SER 27 N -4.60 2.70 -0.25 2.29 7.64 -1.26 -4.78 113.62 115.36 2jwn n SER 27 Ca 0.06 1.03 0.04 0.00 1.01 0.00 0.00 58.87 61.01 2jwn n SER 27 Cb 0.54 -1.56 0.17 0.00 -1.01 0.00 0.00 64.21 62.35 2jwn n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jwn h ALA 28 N 1.70 1.04 -0.03 -0.43 0.00 -1.97 0.35 119.26 119.92 2jwn h ALA 28 Ca -0.50 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2jwn h ALA 28 Cb 1.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2jwn h ALA 28 CO 0.58 -0.16 -0.56 0.93 0.00 0.00 0.00 179.25 180.04 2jwn h GLU 29 N 0.50 0.09 -0.45 0.00 5.08 -2.00 -1.14 114.58 116.66 2jwn h GLU 29 Ca 0.40 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2jwn h GLU 29 Cb 0.55 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2jwn h GLU 29 CO -0.36 0.63 0.26 0.93 -1.00 0.00 0.00 179.01 179.47 2jwn h GLU 30 N 0.07 0.60 -0.20 2.33 3.07 -1.54 -2.05 114.58 116.85 2jwn h GLU 30 Ca -0.00 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2jwn h GLU 30 Cb 1.02 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 2jwn h GLU 30 CO 0.08 0.43 0.01 0.87 -1.40 0.00 0.00 179.01 179.00 2jwn h LYS 31 N 0.61 0.34 -0.57 2.33 1.79 0.19 -0.68 116.57 120.58 2jwn h LYS 31 Ca 0.16 -0.10 0.09 0.00 -2.18 0.00 0.00 60.65 58.62 2jwn h LYS 31 Cb -0.02 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.53 2jwn h LYS 31 CO -0.03 0.53 0.18 0.87 -1.08 0.00 0.00 179.45 179.92 2jwn h LYS 32 N 0.11 0.33 -0.19 3.15 6.56 -0.88 -1.56 116.57 124.10 2jwn h LYS 32 Ca 0.06 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.57 2jwn h LYS 32 Cb 0.36 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.94 2jwn h LYS 32 CO 0.01 0.22 -0.12 0.93 -2.06 0.00 0.00 179.45 178.43 2jwn h GLU 33 N 0.34 0.42 -0.22 3.15 5.08 -1.09 -2.18 114.58 120.08 2jwn h GLU 33 Ca 0.29 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2jwn h GLU 33 Cb 0.36 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jwn h GLU 33 CO -0.31 0.73 -0.42 -0.84 -1.00 0.00 0.00 179.01 177.17 2jwn h ILE 34 N 0.10 1.30 -0.29 3.13 3.07 -1.00 -2.70 117.51 121.13 2jwn h ILE 34 Ca 0.04 -1.59 -0.09 0.00 1.55 0.00 0.00 64.86 64.77 2jwn h ILE 34 Cb 0.62 1.59 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 2jwn h ILE 34 CO 0.03 0.50 -0.21 0.44 -1.05 0.00 0.00 178.15 177.86 2jwn h ASP 35 N 0.42 0.54 0.84 2.16 5.19 -1.26 -2.65 116.42 121.66 2jwn h ASP 35 Ca 0.03 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2jwn h ASP 35 Cb 0.91 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2jwn h ASP 35 CO 0.08 0.75 0.00 0.29 -3.12 0.00 0.00 179.24 177.24 2jwn n LYS 36 N -4.14 0.05 -0.13 3.56 5.02 -0.83 -3.20 118.16 118.50 2jwn n LYS 36 Ca 0.00 0.17 0.08 0.00 -2.02 0.00 0.00 58.31 56.54 2jwn n LYS 36 Cb 0.39 -1.58 0.14 0.00 -0.02 0.00 0.00 35.03 33.96 2jwn n LYS 36 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jwn n ARG 37 N -1.67 1.83 -3.86 1.97 1.74 -1.01 -4.90 116.66 110.76 2jwn n ARG 37 Ca 0.05 -2.47 -0.25 0.00 -0.77 0.00 0.00 57.85 54.42 2jwn n ARG 37 Cb 0.27 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 2jwn n ARG 37 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jwn s SER 38 N -2.42 6.34 0.14 0.55 1.04 -1.15 -0.34 113.70 117.86 2jwn s SER 38 Ca 0.29 0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.94 2jwn s SER 38 Cb 0.25 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.40 2jwn s SER 38 CO 0.04 -0.02 0.01 0.68 0.98 0.00 0.00 173.24 174.93 2jwn s VAL 39 N -1.87 0.45 -0.18 5.02 -7.23 0.29 -0.63 120.40 116.25 2jwn s VAL 39 Ca 0.36 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2jwn s VAL 39 Cb -0.10 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.84 2jwn s VAL 39 CO 0.29 -0.56 -0.13 -0.47 -0.31 0.00 0.00 175.10 173.93 2jwn s TYR 40 N -3.80 2.84 -0.34 2.82 5.04 0.35 -1.87 117.35 122.39 2jwn s TYR 40 Ca 0.21 -1.10 -0.04 0.00 -2.44 0.00 0.00 57.07 53.70 2jwn s TYR 40 Cb 0.07 -1.96 0.06 0.00 0.35 0.00 0.00 41.96 40.48 2jwn s TYR 40 CO 0.01 -0.54 0.08 0.08 -1.34 0.00 0.00 175.55 173.84 2jwn s VAL 41 N 1.08 3.35 0.35 3.14 1.01 0.26 -0.57 120.40 129.02 2jwn s VAL 41 Ca -0.00 -1.42 0.05 0.00 0.00 0.00 0.00 61.98 60.61 2jwn s VAL 41 Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2jwn s VAL 41 CO -0.03 -0.25 0.50 -0.83 0.00 0.00 0.00 175.10 174.49 2jwn s GLY 42 N 1.44 1.58 -1.86 4.51 0.00 0.64 0.42 107.32 114.05 2jwn s GLY 42 Ca -0.01 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.32 2jwn s GLY 42 CO -0.00 -1.29 0.00 -2.01 0.00 0.00 0.00 173.10 169.80 2jwn n ASN 43 N -1.71 -5.57 -4.73 1.64 5.15 -0.91 -2.58 115.26 106.56 2jwn n ASN 43 Ca -0.00 0.43 -0.42 0.00 -0.60 0.00 0.00 54.58 53.99 2jwn n ASN 43 Cb 0.58 -4.61 -0.02 0.00 -0.53 0.00 0.00 39.78 35.20 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 -2.50 2.20 0.43 3.44 0.11 -0.82 -4.85 120.40 118.42 2jwn s VAL 44 Ca 0.00 0.15 -0.25 0.00 -2.93 0.00 0.00 61.98 58.96 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 0.02 1.27 -0.62 -3.33 0.00 0.00 175.10 172.44 2jwn s ASP 45 N 0.87 6.18 0.64 3.54 2.15 -1.26 -3.42 116.67 125.37 2jwn s ASP 45 Ca 0.69 2.57 0.32 0.00 0.43 0.00 0.00 52.55 56.56 2jwn s ASP 45 Cb -0.47 -2.63 1.76 0.00 -0.30 0.00 0.00 42.92 41.27 2jwn s ASP 45 CO 0.38 -0.93 2.03 0.22 -0.17 0.00 0.00 175.17 176.70 2jwn h TYR 46 N 2.41 0.00 -0.62 -5.34 3.20 -1.86 0.12 116.97 114.89 2jwn h TYR 46 Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2jwn h TYR 46 Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2jwn h TYR 46 CO 0.52 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.45 2jwn n GLY 47 N -1.27 2.64 3.67 1.82 0.00 -1.26 -4.92 105.19 105.87 2jwn n GLY 47 Ca -0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.01 6.98 0.44 1.61 0.01 0.43 -5.01 113.70 117.15 2jwn s SER 48 Ca 0.43 1.77 0.04 0.00 1.31 0.00 0.00 55.95 59.49 2jwn s SER 48 Cb 0.23 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.93 2jwn s SER 48 CO 0.27 -0.69 0.63 0.42 0.41 0.00 0.00 173.24 174.28 2jwn s THR 49 N 2.95 3.38 0.09 1.44 -4.23 -1.26 -4.94 115.64 113.06 2jwn s THR 49 Ca 0.56 -0.79 -0.25 0.00 -1.18 0.00 0.00 61.69 60.03 2jwn s THR 49 Cb -0.23 -3.20 -0.16 0.00 1.34 0.00 0.00 72.50 70.24 2jwn s THR 49 CO 0.18 -0.11 1.72 0.00 -0.54 0.00 0.00 174.62 175.87 2jwn h ALA 50 N 0.48 -0.16 -0.89 3.99 0.00 -1.99 -1.18 119.26 119.53 2jwn h ALA 50 Ca -0.43 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2jwn h ALA 50 Cb 1.27 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2jwn h ALA 50 CO 0.52 -0.59 0.58 1.96 0.00 0.00 0.00 179.25 181.72 2jwn h GLN 51 N -0.16 0.98 -0.32 0.00 1.08 -1.98 0.29 115.11 115.00 2jwn h GLN 51 Ca -0.02 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.00 2jwn h GLN 51 Cb 0.12 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2jwn h GLN 51 CO 0.02 0.65 -0.28 0.22 -0.95 0.00 0.00 178.83 178.50 2jwn h ASP 52 N 1.01 0.79 -0.05 1.46 3.58 -1.88 -2.00 116.42 119.33 2jwn h ASP 52 Ca 0.38 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 2jwn h ASP 52 Cb 0.19 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2jwn h ASP 52 CO -0.14 1.08 -0.07 -0.07 -2.88 0.00 0.00 179.24 177.17 2jwn h LEU 53 N 0.51 0.14 -0.03 2.28 3.38 -0.75 -2.72 115.31 118.13 2jwn h LEU 53 Ca 0.06 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2jwn h LEU 53 Cb 0.84 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2jwn h LEU 53 CO 0.07 0.63 0.02 -0.08 0.09 0.00 0.00 178.44 179.17 2jwn h GLU 54 N -0.34 0.03 -0.83 1.13 4.22 -0.47 -0.41 114.58 117.91 2jwn h GLU 54 Ca 0.01 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.50 2jwn h GLU 54 Cb 0.60 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2jwn h GLU 54 CO 0.02 0.02 0.51 0.00 -2.18 0.00 0.00 179.01 177.38 2jwn h ALA 55 N 1.01 1.12 -0.52 2.92 0.00 -1.45 0.21 119.26 122.56 2jwn h ALA 55 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jwn h ALA 55 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2jwn h ALA 55 CO -0.01 0.26 0.13 1.25 0.00 0.00 0.00 179.25 180.88 2jwn h HIS 56 N 0.95 0.87 0.00 0.00 -0.00 -1.08 -2.45 115.15 113.44 2jwn h HIS 56 Ca 0.36 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 2jwn h HIS 56 Cb 0.14 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 2jwn h HIS 56 CO -0.04 0.77 -0.30 0.74 -0.00 0.00 0.00 177.93 179.10 2jwn h PHE 57 N 0.72 0.00 0.00 5.26 -1.00 -0.81 -3.27 116.94 117.84 2jwn h PHE 57 Ca 0.16 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 2jwn h PHE 57 Cb 0.34 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.89 2jwn h PHE 57 CO 0.02 0.14 -0.14 0.77 -1.61 0.00 0.00 178.31 177.49 2jwn h SER 58 N 0.00 0.00 -0.13 2.17 0.02 -0.10 -0.17 113.55 115.35 2jwn h SER 58 Ca -0.01 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2jwn h SER 58 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2jwn h SER 58 CO 0.02 0.14 0.12 0.28 -1.14 0.00 0.00 176.83 176.25 2jwn h SER 59 N 0.00 0.00 0.01 3.07 0.02 -1.58 -1.22 113.55 113.85 2jwn h SER 59 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jwn h SER 59 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2jwn h SER 59 CO 0.02 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 175.67 2jwn n GLY 61 N 1.23 0.42 3.44 0.00 0.00 -0.46 -4.22 105.19 105.60 2jwn n GLY 61 Ca 0.17 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 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 5.34 0.02 1.61 0.01 -1.26 -4.39 113.70 111.03 2jwn s SER 62 Ca 0.00 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 2jwn s SER 62 Cb 0.00 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 2jwn s SER 62 CO 0.00 -0.11 1.00 -0.63 0.41 0.00 0.00 173.24 173.91 2jwn s ILE 63 N 1.61 4.74 -0.15 1.44 1.01 -1.26 -0.31 121.20 128.28 2jwn s ILE 63 Ca 0.05 2.01 -0.09 0.00 0.00 0.00 0.00 60.65 62.62 2jwn s ILE 63 Cb -0.16 -4.28 -0.24 0.00 0.01 0.00 0.00 42.46 37.78 2jwn s ILE 63 CO 0.05 0.18 0.28 -3.20 0.00 0.00 0.00 174.94 172.25 2jwn n ASN 64 N 3.73 2.07 -3.63 3.58 2.85 0.12 -4.62 115.26 119.36 2jwn n ASN 64 Ca 0.06 0.22 -0.10 0.00 -0.11 0.00 0.00 54.58 54.65 2jwn n ASN 64 Cb 0.50 -0.85 -0.03 0.00 1.24 0.00 0.00 39.78 40.65 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2jwn s ARG 65 N -2.52 1.40 -0.04 1.20 0.52 0.37 -4.97 118.95 114.91 2jwn s ARG 65 Ca -0.25 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.21 2jwn s ARG 65 Cb 0.07 0.56 0.01 0.00 0.52 0.00 0.00 34.95 36.11 2jwn s ARG 65 CO 0.72 -0.61 0.09 0.96 0.02 0.00 0.00 175.30 176.49 2jwn s ILE 66 N -3.83 -0.01 -0.07 1.52 -4.36 -1.26 -0.25 121.20 112.94 2jwn s ILE 66 Ca 0.06 0.04 0.03 0.00 -0.26 0.00 0.00 60.65 60.52 2jwn s ILE 66 Cb -0.02 -0.14 0.01 0.00 1.25 0.00 0.00 42.46 43.56 2jwn s ILE 66 CO -0.06 0.02 -0.15 -0.89 0.24 0.00 0.00 174.94 174.10 2jwn s THR 67 N 0.30 1.35 -0.16 8.37 2.01 0.13 -4.97 115.64 122.67 2jwn s THR 67 Ca -0.02 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.36 2jwn s THR 67 Cb -0.03 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.31 2jwn s THR 67 CO -0.01 0.40 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.58 2jwn s ILE 68 N 0.47 1.44 -0.13 1.82 1.01 -1.26 0.25 121.20 124.81 2jwn s ILE 68 Ca -0.13 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2jwn s ILE 68 Cb -0.15 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.87 2jwn s ILE 68 CO 0.04 0.30 -0.20 -1.48 0.00 0.00 0.00 174.94 173.60 2jwn s LEU 69 N 1.51 2.00 -0.13 2.97 2.34 0.16 -4.99 118.68 122.55 2jwn s LEU 69 Ca 0.02 -0.55 0.01 0.00 0.06 0.00 0.00 54.13 53.68 2jwn s LEU 69 Cb -0.14 -1.34 -0.01 0.00 -0.56 0.00 0.00 46.19 44.14 2jwn s LEU 69 CO -0.09 0.07 -0.17 0.00 -1.06 0.00 0.00 176.35 175.11 2jwn s ASP 71 N 0.43 4.53 -0.09 0.00 -4.77 -0.95 -4.90 116.67 110.92 2jwn s ASP 71 Ca -0.12 -0.24 0.13 0.00 -3.30 0.00 0.00 52.55 49.01 2jwn s ASP 71 Cb -0.16 -1.75 0.35 0.00 -1.09 0.00 0.00 42.92 40.27 2jwn s ASP 71 CO 0.06 0.11 1.27 1.17 0.70 0.00 0.00 175.17 178.47 2jwn n LYS 72 N 3.94 2.68 -0.30 2.11 4.81 -1.26 0.00 118.16 130.14 2jwn n LYS 72 Ca -0.18 -2.35 0.14 0.00 -0.87 0.00 0.00 58.31 55.06 2jwn n LYS 72 Cb 0.52 -1.48 0.31 0.00 0.02 0.00 0.00 35.03 34.40 2jwn n LYS 72 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 2jwn h PHE 73 N 1.37 0.36 -0.57 5.64 3.04 -1.91 0.70 116.94 125.56 2jwn h PHE 73 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2jwn h PHE 73 Cb 1.01 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.50 2jwn h PHE 73 CO 0.27 -0.24 0.00 0.43 -2.02 0.00 0.00 178.31 176.74 2jwn n SER 74 N -5.25 5.47 0.00 0.41 7.64 -1.26 -4.94 113.62 115.70 2jwn n SER 74 Ca 0.23 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.26 2jwn n SER 74 Cb 0.73 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.65 2.37 3.62 0.23 0.00 0.24 -4.94 105.19 107.37 2jwn n GLY 75 Ca 0.27 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 3.27 -0.18 1.61 3.76 -1.26 -4.91 115.29 117.58 2jwn s HIS 76 Ca 0.00 0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 55.30 2jwn s HIS 76 Cb 0.00 -2.76 -0.01 0.00 1.11 0.00 0.00 32.58 30.92 2jwn s HIS 76 CO 0.00 -0.30 1.13 -1.25 -0.85 0.00 0.00 174.74 173.47 2jwn s PRO 77 N 2.37 4.28 0.00 8.40 0.04 -1.25 -4.60 135.00 144.24 2jwn s PRO 77 Ca 0.23 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2jwn s PRO 77 Cb -0.16 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.72 2jwn s PRO 77 CO 0.09 -0.61 0.00 1.63 0.04 0.00 0.00 177.00 178.15 2jwn n LYS 78 N 6.18 1.57 -3.63 4.56 5.02 0.10 -4.77 118.16 127.18 2jwn n LYS 78 Ca 0.12 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 2jwn n LYS 78 Cb 0.46 0.00 -0.07 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 -1.72 -0.40 -0.11 0.72 0.00 -1.22 -2.25 107.32 102.34 2jwn s GLY 79 Ca 0.00 2.22 -0.16 0.00 0.00 0.00 0.00 44.72 46.78 2jwn s GLY 79 CO 0.00 1.72 0.41 -2.52 0.00 0.00 0.00 173.10 172.71 2jwn s TYR 80 N 0.22 -0.40 0.09 1.90 1.13 -0.07 -1.95 117.35 118.26 2jwn s TYR 80 Ca 0.01 0.90 0.05 0.00 -1.41 0.00 0.00 57.07 56.61 2jwn s TYR 80 Cb -0.05 0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.94 2jwn s TYR 80 CO -0.01 -0.30 -0.13 0.00 -2.51 0.00 0.00 175.55 172.61 2jwn s ALA 81 N -0.30 1.18 -0.21 9.51 0.00 0.17 -0.66 121.76 131.45 2jwn s ALA 81 Ca -0.04 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.84 2jwn s ALA 81 Cb -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.07 2jwn s ALA 81 CO 0.02 0.09 -0.14 0.71 0.00 0.00 0.00 175.76 176.44 2jwn s TYR 82 N -1.73 2.82 -0.26 0.00 2.02 0.14 0.93 117.35 121.27 2jwn s TYR 82 Ca 0.01 -1.85 -0.11 0.00 -0.37 0.00 0.00 57.07 54.76 2jwn s TYR 82 Cb -0.07 -1.84 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 2jwn s TYR 82 CO 0.02 -0.81 0.17 0.42 -1.57 0.00 0.00 175.55 173.78 2jwn s ILE 83 N 1.26 5.32 -0.21 2.71 -1.09 -0.78 0.22 121.20 128.63 2jwn s ILE 83 Ca -0.01 0.17 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 2jwn s ILE 83 Cb -0.16 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 2jwn s ILE 83 CO -0.09 0.30 0.02 -1.61 -1.23 0.00 0.00 174.94 172.33 2jwn s GLU 84 N 1.37 3.65 0.19 2.79 2.02 0.65 -0.55 118.70 128.82 2jwn s GLU 84 Ca 0.07 -0.50 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 2jwn s GLU 84 Cb -0.15 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 2jwn s GLU 84 CO 0.07 -0.01 0.38 -0.06 0.02 0.00 0.00 175.26 175.67 2jwn s PHE 85 N 1.07 3.48 0.12 1.61 0.08 0.53 0.14 117.98 125.02 2jwn s PHE 85 Ca 0.03 0.35 -0.12 0.00 0.12 0.00 0.00 56.93 57.31 2jwn s PHE 85 Cb -0.14 -1.86 -0.08 0.00 -0.57 0.00 0.00 43.02 40.37 2jwn s PHE 85 CO 0.02 0.39 1.42 0.00 -0.10 0.00 0.00 175.22 176.95 2jwn h ALA 86 N 2.09 0.48 -3.20 5.36 0.00 -0.92 -3.41 119.26 119.67 2jwn h ALA 86 Ca -0.48 -0.48 -0.65 0.00 0.00 0.00 0.00 54.91 53.30 2jwn h ALA 86 Cb 1.19 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 2jwn h ALA 86 CO 0.69 0.64 -0.60 -1.21 0.00 0.00 0.00 179.25 178.76 2jwn s GLU 87 N -4.23 2.89 0.18 0.00 0.41 -1.26 -5.00 118.70 111.70 2jwn s GLU 87 Ca -0.11 -0.63 0.01 0.00 -0.41 0.00 0.00 54.97 53.83 2jwn s GLU 87 Cb 0.10 -2.74 0.07 0.00 -1.78 0.00 0.00 34.13 29.78 2jwn s GLU 87 CO 0.88 0.60 1.44 -0.09 -0.49 0.00 0.00 175.26 177.59 2jwn h ARG 88 N 3.69 0.28 0.00 1.61 1.12 -1.90 -2.89 114.38 116.27 2jwn h ARG 88 Ca -0.48 -0.25 -0.02 0.00 -1.11 0.00 0.00 59.98 58.13 2jwn h ARG 88 Cb 1.17 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 31.19 2jwn h ARG 88 CO 0.63 0.92 -0.08 -0.91 -3.11 0.00 0.00 179.97 177.42 2jwn h ASN 89 N 0.18 0.00 -0.33 -3.80 2.35 -1.96 -0.94 115.58 111.07 2jwn h ASN 89 Ca -0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2jwn h ASN 89 Cb 1.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.70 2jwn h ASN 89 CO 0.12 0.08 -0.09 0.28 -1.65 0.00 0.00 177.43 176.18 2jwn h SER 90 N 0.00 0.74 -0.39 5.81 0.02 -1.68 -2.51 113.55 115.53 2jwn h SER 90 Ca -0.00 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.62 2jwn h SER 90 Cb 0.21 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2jwn h SER 90 CO 0.01 0.86 -0.20 -0.37 -1.14 0.00 0.00 176.83 175.99 2jwn h VAL 91 N 0.69 1.27 -0.88 2.27 -1.51 -1.26 -1.16 116.25 115.67 2jwn h VAL 91 Ca 0.12 -1.34 0.08 0.00 -1.23 0.00 0.00 66.70 64.33 2jwn h VAL 91 Cb 0.55 1.14 -0.06 0.00 -2.13 0.00 0.00 31.29 30.79 2jwn h VAL 91 CO 0.03 0.46 0.57 0.44 -1.23 0.00 0.00 177.57 177.84 2jwn h ASP 92 N 0.77 0.83 0.55 4.19 5.19 -1.32 0.34 116.42 126.97 2jwn h ASP 92 Ca 0.11 0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.37 2jwn h ASP 92 Cb 0.75 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 2jwn h ASP 92 CO 0.06 0.52 -0.70 0.00 -3.12 0.00 0.00 179.24 175.99 2jwn h ALA 93 N 1.54 0.78 0.02 3.45 0.00 -1.02 -3.29 119.26 120.74 2jwn h ALA 93 Ca 0.39 -0.62 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 2jwn h ALA 93 Cb 0.29 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jwn h ALA 93 CO -0.15 0.83 -1.00 0.00 0.00 0.00 0.00 179.25 178.92 2jwn h ALA 94 N 1.19 0.09 -0.06 0.00 0.00 0.12 -3.19 119.26 117.41 2jwn h ALA 94 Ca -0.02 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.22 2jwn h ALA 94 Cb 1.25 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jwn h ALA 94 CO 0.10 0.62 0.18 -0.39 0.00 0.00 0.00 179.25 179.77 2jwn h VAL 95 N 0.28 0.15 0.00 0.00 -1.51 -0.47 0.22 116.25 114.91 2jwn h VAL 95 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 2jwn h VAL 95 Cb 1.67 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2jwn h VAL 95 CO 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.54 2jwn h ALA 96 N 1.69 1.00 -0.52 5.19 0.00 -1.63 -0.30 119.26 124.69 2jwn h ALA 96 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jwn h ALA 96 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jwn h ALA 96 CO -0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2jwn n MET 97 N -2.90 2.89 -0.27 0.00 2.81 0.78 -4.70 117.12 115.73 2jwn n MET 97 Ca -0.01 -2.16 -0.02 0.00 -1.81 0.00 0.00 57.70 53.71 2jwn n MET 97 Cb 0.17 -1.67 0.01 0.00 -0.71 0.00 0.00 33.22 31.02 2jwn n MET 97 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2jwn n ASP 98 N 0.91 -0.49 -3.09 7.83 -0.08 -0.13 -1.02 116.55 120.49 2jwn n ASP 98 Ca 0.20 1.21 -0.25 0.00 -1.51 0.00 0.00 54.79 54.43 2jwn n ASP 98 Cb 0.65 -0.26 -0.05 0.00 2.34 0.00 0.00 41.12 43.81 2jwn n ASP 98 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jwn n GLU 99 N -4.99 2.56 -2.56 -0.67 1.02 -1.26 -1.12 120.64 113.62 2jwn n GLU 99 Ca 0.06 -4.47 -0.23 0.00 -0.02 0.00 0.00 57.16 52.50 2jwn n GLU 99 Cb 0.26 -2.09 0.08 0.00 -0.02 0.00 0.00 31.44 29.68 2jwn n GLU 99 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2jwn s THR 100 N -3.56 2.31 -0.13 2.62 -4.23 -0.19 -4.87 115.64 107.59 2jwn s THR 100 Ca 0.45 -0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 60.31 2jwn s THR 100 Cb 0.26 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 2jwn s THR 100 CO -0.10 0.00 0.10 0.54 -0.54 0.00 0.00 174.62 174.62 2jwn s VAL 101 N -3.04 5.20 -0.09 2.29 0.11 -1.26 -0.98 120.40 122.63 2jwn s VAL 101 Ca 0.63 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.75 2jwn s VAL 101 Cb -0.07 -3.27 0.05 0.00 -1.53 0.00 0.00 36.38 31.55 2jwn s VAL 101 CO 0.43 0.58 0.14 0.12 -3.33 0.00 0.00 175.10 173.04 2jwn s PHE 102 N -0.70 -0.12 -1.43 1.54 5.36 0.21 -4.87 117.98 117.96 2jwn s PHE 102 Ca 0.13 0.46 -0.04 0.00 -0.96 0.00 0.00 56.93 56.52 2jwn s PHE 102 Cb -0.12 -0.33 0.02 0.00 -0.34 0.00 0.00 43.02 42.25 2jwn s PHE 102 CO 0.03 -0.30 0.34 0.54 -1.46 0.00 0.00 175.22 174.37 2jwn n ARG 103 N 5.32 -3.40 -0.25 10.12 1.74 -1.26 -1.94 116.66 126.98 2jwn n ARG 103 Ca -0.04 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2jwn n ARG 103 Cb 0.50 -5.50 0.00 0.00 -1.02 0.00 0.00 32.46 26.44 2jwn n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jwn n GLY 104 N -1.20 0.65 3.27 -0.13 0.00 -1.26 -5.05 105.19 101.48 2jwn n GLY 104 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 2jwn n GLY 104 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jwn s ARG 105 N -0.73 1.13 -0.17 1.61 1.70 -0.82 -5.12 118.95 116.56 2jwn s ARG 105 Ca 0.00 -1.50 -0.18 0.00 -0.47 0.00 0.00 55.73 53.59 2jwn s ARG 105 Cb 0.00 -0.69 -0.04 0.00 -0.57 0.00 0.00 34.95 33.65 2jwn s ARG 105 CO 0.00 0.07 0.47 0.99 -1.08 0.00 0.00 175.30 175.75 2jwn s THR 106 N -3.29 5.17 0.46 4.99 2.01 -1.26 0.64 115.64 124.36 2jwn s THR 106 Ca 0.19 0.88 0.08 0.00 0.31 0.00 0.00 61.69 63.15 2jwn s THR 106 Cb 0.02 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.75 2jwn s THR 106 CO 0.02 0.26 0.54 0.27 -0.69 0.00 0.00 174.62 175.03 2jwn s ILE 107 N 1.12 2.63 -0.15 1.82 -0.00 -0.15 -4.83 121.20 121.63 2jwn s ILE 107 Ca 0.23 -1.14 0.02 0.00 -0.00 0.00 0.00 60.65 59.76 2jwn s ILE 107 Cb -0.15 -2.77 0.01 0.00 -0.00 0.00 0.00 42.46 39.55 2jwn s ILE 107 CO 0.09 0.00 -0.20 -0.75 -0.00 0.00 0.00 174.94 174.08 2jwn s LYS 108 N -4.34 3.06 -0.27 0.37 2.47 -1.06 -3.77 119.74 116.20 2jwn s LYS 108 Ca 0.53 -0.83 -0.03 0.00 -1.56 0.00 0.00 55.97 54.08 2jwn s LYS 108 Cb -0.07 -2.49 0.03 0.00 -1.46 0.00 0.00 37.83 33.85 2jwn s LYS 108 CO 0.32 -0.02 -0.02 0.08 0.16 0.00 0.00 175.35 175.86 2jwn s VAL 109 N 0.85 3.09 -0.02 4.02 1.01 -0.27 -0.26 120.40 128.81 2jwn s VAL 109 Ca -0.06 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.87 2jwn s VAL 109 Cb -0.15 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2jwn s VAL 109 CO -0.02 0.11 0.03 -0.22 0.00 0.00 0.00 175.10 175.00 2jwn s LEU 110 N 1.34 0.95 0.19 3.92 0.20 0.26 -4.38 118.68 121.16 2jwn s LEU 110 Ca -0.01 0.04 -0.32 0.00 0.69 0.00 0.00 54.13 54.53 2jwn s LEU 110 Cb -0.17 -0.10 -0.11 0.00 -0.43 0.00 0.00 46.19 45.37 2jwn s LEU 110 CO -0.03 -0.14 1.69 -2.84 -0.29 0.00 0.00 176.35 174.74 2jwn s PRO 111 N 1.23 4.15 -0.06 0.98 0.02 -1.26 0.13 135.00 140.19 2jwn s PRO 111 Ca -0.07 2.54 -0.22 0.00 0.02 0.00 0.00 61.00 63.27 2jwn s PRO 111 Cb -0.13 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 2jwn s PRO 111 CO -0.03 -0.72 0.62 0.21 -0.33 0.00 0.00 177.00 176.75 2jwn s LYS 112 N 1.32 4.39 0.29 5.54 2.20 0.19 -4.76 119.74 128.91 2jwn s LYS 112 Ca 0.74 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 2jwn s LYS 112 Cb -0.48 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2jwn s LYS 112 CO 0.32 0.18 0.00 0.54 -0.36 0.00 0.00 175.35 176.03 2jwn n ARG 113 N 3.42 -0.42 -3.14 4.03 1.74 -1.26 -4.50 116.66 116.54 2jwn n ARG 113 Ca -0.04 0.27 0.03 0.00 -0.77 0.00 0.00 57.85 57.34 2jwn n ARG 113 Cb 0.51 -0.51 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2jwn n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jwn s THR 114 N -0.71 -0.86 -0.73 0.55 2.01 -1.26 -4.75 115.64 109.89 2jwn s THR 114 Ca 0.00 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 2jwn s THR 114 Cb 0.00 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.09 2jwn s THR 114 CO 0.00 0.00 1.39 0.21 -0.69 0.00 0.00 174.62 175.53 2jwn s ASN 115 N 2.37 6.01 -0.34 3.53 2.47 -1.26 -4.05 114.94 123.66 2jwn s ASN 115 Ca 0.14 -0.35 0.05 0.00 0.42 0.00 0.00 52.86 53.13 2jwn s ASN 115 Cb -0.06 -2.56 0.18 0.00 -1.45 0.00 0.00 41.25 37.36 2jwn s ASN 115 CO -0.17 -1.93 0.52 -0.32 -3.72 0.00 0.00 177.10 171.48 2jwn s MET 116 N 5.95 0.62 0.00 0.43 1.75 -1.26 -4.47 119.30 122.32 2jwn s MET 116 Ca 0.41 -0.05 0.26 0.00 -1.25 0.00 0.00 55.69 55.06 2jwn s MET 116 Cb -0.09 -0.10 0.56 0.00 2.84 0.00 0.00 34.83 38.05 2jwn s MET 116 CO 0.15 -1.12 1.46 -0.35 -0.65 0.00 0.00 175.02 174.52 2jwn n PRO 117 N 4.89 1.72 0.00 4.11 -0.05 -1.26 -2.30 135.00 142.11 2jwn n PRO 117 Ca 0.07 -1.25 0.00 0.00 -0.05 0.00 0.00 63.50 62.27 2jwn n PRO 117 Cb 0.52 -1.47 0.00 0.00 -0.05 0.00 0.00 33.50 32.50 2jwn n PRO 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2jwn n GLY 118 N 1.29 2.25 2.73 0.55 0.00 -1.26 -4.55 105.19 106.21 2jwn n GLY 118 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jwn n GLY 118 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jwn n ILE 119 N 0.00-11.92 -3.63 -0.61 5.41 -1.26 -4.98 119.36 102.36 2jwn n ILE 119 Ca 0.00 1.80 -0.40 0.00 1.00 0.00 0.00 62.75 65.15 2jwn n ILE 119 Cb 0.00 -6.92 -0.11 0.00 -0.71 0.00 0.00 39.64 31.90 2jwn n ILE 119 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2jwn s SER 120 N -1.68 5.62 -0.46 4.38 0.01 -1.26 -4.99 113.70 115.31 2jwn s SER 120 Ca 0.01 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.39 2jwn s SER 120 Cb -0.00 -1.99 0.15 0.00 0.21 0.00 0.00 66.02 64.39 2jwn s SER 120 CO 0.78 -0.33 0.31 -0.94 0.41 0.00 0.00 173.24 173.46 2jwn s SER 121 N 1.54 3.05 0.00 2.44 1.04 -1.26 -4.86 113.70 115.66 2jwn s SER 121 Ca 0.02 -2.92 0.00 0.00 0.48 0.00 0.00 55.95 53.54 2jwn s SER 121 Cb -0.19 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.08 2jwn s SER 121 CO 0.06 -0.21 0.58 0.35 0.98 0.00 0.00 173.24 175.00 2jwn n THR 122 N 3.12 0.33 0.00 2.02 -2.24 -1.26 -5.01 114.28 111.24 2jwn n THR 122 Ca 0.18 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2jwn n THR 122 Cb 0.39 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2jwn n THR 122 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jwn n ASP 123 N -0.17 0.00 -0.85 3.42 8.00 -1.26 -5.37 116.55 120.32 2jwn n ASP 123 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2jwn n ASP 123 Cb 0.28 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.47 2jwn n ASP 123 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67