#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 4.74 -0.36 0.00 2.07 -1.26 -5.02 121.20 121.38 2jwn s ILE 2 Ca 0.00 0.33 -0.16 0.00 -1.41 0.00 0.00 60.65 59.41 2jwn s ILE 2 Cb 0.00 -4.25 -0.00 0.00 0.13 0.00 0.00 42.46 38.33 2jwn s ILE 2 CO 0.00 -0.63 0.42 0.00 -1.91 0.00 0.00 174.94 172.82 2jwn s ALA 3 N 3.05 3.48 0.47 1.50 0.00 -1.26 -5.06 121.76 123.94 2jwn s ALA 3 Ca 0.27 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 2jwn s ALA 3 Cb -0.13 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 2jwn s ALA 3 CO 0.20 -1.20 1.09 -1.25 0.00 0.00 0.00 175.76 174.60 2jwn s PRO 4 N 2.16 3.81 -0.87 0.00 0.04 -1.26 -4.99 135.00 133.89 2jwn s PRO 4 Ca 0.14 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 2jwn s PRO 4 Cb -0.16 -2.29 0.23 0.00 0.04 0.00 0.00 34.50 32.32 2jwn s PRO 4 CO 0.13 -0.46 0.81 0.00 0.04 0.00 0.00 177.00 177.51 2jwn s MET 6 N -0.18 4.28 -0.30 0.00 0.23 -1.26 -5.03 119.30 117.04 2jwn s MET 6 Ca 0.21 1.45 -0.06 0.00 -1.03 0.00 0.00 55.69 56.26 2jwn s MET 6 Cb -0.11 -2.60 0.18 0.00 -1.53 0.00 0.00 34.83 30.78 2jwn s MET 6 CO -0.08 -0.03 0.78 1.14 -2.03 0.00 0.00 175.02 174.80 2jwn s GLN 7 N -2.41 0.42 -1.02 3.16 -2.07 -1.26 -5.07 119.66 111.41 2jwn s GLN 7 Ca 0.56 0.76 -0.18 0.00 -1.82 0.00 0.00 55.36 54.67 2jwn s GLN 7 Cb -0.21 0.42 0.13 0.00 -1.09 0.00 0.00 33.01 32.26 2jwn s GLN 7 CO 0.26 -0.44 1.27 -0.08 -1.32 0.00 0.00 175.29 174.98 2jwn s THR 8 N 2.89 4.65 -0.50 3.63 -1.32 -1.26 -4.93 115.64 118.80 2jwn s THR 8 Ca 0.12 -1.71 -0.13 0.00 -1.21 0.00 0.00 61.69 58.75 2jwn s THR 8 Cb -0.13 -4.87 0.11 0.00 -1.51 0.00 0.00 72.50 66.11 2jwn s THR 8 CO -0.17 -1.62 0.42 0.42 -2.21 0.00 0.00 174.62 171.46 2jwn s THR 9 N 2.83 4.82 -0.03 5.08 -4.23 -1.26 -5.02 115.64 117.83 2jwn s THR 9 Ca 0.38 -1.52 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 2jwn s THR 9 Cb -0.03 -4.07 0.01 0.00 1.34 0.00 0.00 72.50 69.74 2jwn s THR 9 CO -0.07 -0.77 0.09 -1.00 -0.54 0.00 0.00 174.62 172.34 2jwn s HIS 10 N 1.52 -0.08 -0.71 3.99 3.76 -1.26 -4.94 115.29 117.57 2jwn s HIS 10 Ca 0.04 0.21 -0.27 0.00 -0.15 0.00 0.00 55.06 54.89 2jwn s HIS 10 Cb -0.27 0.02 0.03 0.00 1.11 0.00 0.00 32.58 33.47 2jwn s HIS 10 CO 0.02 -0.06 1.30 -1.12 -0.85 0.00 0.00 174.74 174.03 2jwn s SER 11 N -0.05 6.15 -0.32 1.40 0.01 -1.26 -4.96 113.70 114.67 2jwn s SER 11 Ca -0.01 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 2jwn s SER 11 Cb -0.01 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 2jwn s SER 11 CO 0.00 -1.82 1.39 -0.54 0.41 0.00 0.00 173.24 172.69 2jwn s LYS 12 N 5.70 3.78 0.00 12.44 1.02 -1.26 -4.62 119.74 136.81 2jwn s LYS 12 Ca 0.38 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.60 2jwn s LYS 12 Cb -0.08 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.27 2jwn s LYS 12 CO 0.17 -1.29 0.00 -1.33 -0.92 0.00 0.00 175.35 171.97 2jwn n MET 13 N 7.62 -0.20 -3.72 1.68 2.81 -1.26 -4.97 117.12 119.08 2jwn n MET 13 Ca 0.16 0.44 -0.13 0.00 -1.81 0.00 0.00 57.70 56.36 2jwn n MET 13 Cb 0.47 -0.51 -0.09 0.00 -0.71 0.00 0.00 33.22 32.37 2jwn n MET 13 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2jwn s THR 14 N -0.47 0.00 0.13 2.03 -1.32 -1.26 -4.97 115.64 109.78 2jwn s THR 14 Ca 0.00 -0.02 -0.19 0.00 -1.21 0.00 0.00 61.69 60.27 2jwn s THR 14 Cb 0.00 -0.64 0.05 0.00 -1.51 0.00 0.00 72.50 70.40 2jwn s THR 14 CO 0.00 -0.01 0.49 0.00 -2.21 0.00 0.00 174.62 172.89 2jwn s ALA 15 N 0.17 -1.23 0.00 11.08 0.00 -1.26 -5.15 121.76 125.37 2jwn s ALA 15 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2jwn s ALA 15 Cb -0.03 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2jwn s ALA 15 CO 0.01 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2jwn n GLY 16 N -0.22 1.97 3.61 0.00 0.00 -1.26 -5.18 105.19 104.12 2jwn n GLY 16 Ca -0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 -2.04 0.15 4.61 0.00 -1.26 -5.18 121.76 117.05 2jwn s ALA 17 Ca 0.00 1.74 0.10 0.00 0.00 0.00 0.00 51.96 53.81 2jwn s ALA 17 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2jwn s ALA 17 CO 0.00 -0.26 -0.23 1.52 0.00 0.00 0.00 175.76 176.80 2jwn s TYR 18 N -0.89 2.39 -0.04 0.00 -0.85 -1.26 -5.14 117.35 111.55 2jwn s TYR 18 Ca 0.04 -0.33 -0.06 0.00 -0.52 0.00 0.00 57.07 56.19 2jwn s TYR 18 Cb -0.01 -1.25 0.01 0.00 0.38 0.00 0.00 41.96 41.09 2jwn s TYR 18 CO -0.04 0.41 0.15 0.99 -1.52 0.00 0.00 175.55 175.54 2jwn s THR 19 N -1.30 0.02 0.43 -3.49 2.01 -1.26 -5.06 115.64 106.99 2jwn s THR 19 Ca 0.18 -0.19 0.12 0.00 0.31 0.00 0.00 61.69 62.11 2jwn s THR 19 Cb -0.09 -0.29 0.19 0.00 0.01 0.00 0.00 72.50 72.32 2jwn s THR 19 CO 0.09 -0.10 1.98 -0.33 -0.69 0.00 0.00 174.62 175.57 2jwn h GLU 20 N 5.46 0.16 0.00 4.92 5.08 -2.01 -3.48 114.58 124.71 2jwn h GLU 20 Ca -0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2jwn h GLU 20 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2jwn h GLU 20 CO 0.41 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 179.09 2jwn n GLY 21 N -1.06 2.45 0.17 -3.84 0.00 -1.26 -4.03 105.19 97.62 2jwn n GLY 21 Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 0.27 -6.54 1.61 0.11 -2.09 -3.43 132.00 121.94 2jwn h PRO 22 Ca 0.00 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.50 2jwn h PRO 22 Cb 0.00 -0.06 0.08 0.00 0.11 0.00 0.00 31.00 31.13 2jwn h PRO 22 CO 0.00 0.18 0.60 -2.30 -0.21 0.00 0.00 178.00 176.28 2jwn n PRO 23 N -5.03 1.94 -2.43 1.05 -0.02 -1.26 -4.92 135.00 124.33 2jwn n PRO 23 Ca 0.02 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 2jwn n PRO 23 Cb 0.15 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 2jwn n PRO 23 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2jwn s GLN 24 N -0.17 4.38 -0.15 -0.52 -1.52 -1.26 -4.91 119.66 115.51 2jwn s GLN 24 Ca 0.71 1.76 -0.29 0.00 -1.95 0.00 0.00 55.36 55.59 2jwn s GLN 24 Cb -0.68 -2.92 -0.03 0.00 -0.22 0.00 0.00 33.01 29.16 2jwn s GLN 24 CO 0.48 -0.01 1.57 -1.25 -0.25 0.00 0.00 175.29 175.83 2jwn s PRO 25 N -1.90 4.01 1.09 2.91 0.04 -1.26 -5.01 135.00 134.88 2jwn s PRO 25 Ca 0.51 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 2jwn s PRO 25 Cb -0.30 -3.97 0.24 0.00 0.04 0.00 0.00 34.50 30.51 2jwn s PRO 25 CO 0.38 -1.04 1.16 -0.48 0.04 0.00 0.00 177.00 177.07 2jwn s LEU 26 N 4.50 1.43 0.50 -3.56 -0.00 -1.26 -4.96 118.68 115.32 2jwn s LEU 26 Ca 0.69 0.63 -0.23 0.00 -0.00 0.00 0.00 54.13 55.22 2jwn s LEU 26 Cb -0.27 -2.55 -0.07 0.00 -0.00 0.00 0.00 46.19 43.30 2jwn s LEU 26 CO 0.27 -3.51 1.33 -0.24 -0.00 0.00 0.00 176.35 174.20 2jwn n SER 27 N -4.34 2.69 -0.16 1.48 2.88 -1.26 -4.80 113.62 110.10 2jwn n SER 27 Ca 0.12 1.03 0.16 0.00 -1.33 0.00 0.00 58.87 58.85 2jwn n SER 27 Cb 0.59 -1.55 0.51 0.00 -0.75 0.00 0.00 64.21 63.01 2jwn n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jwn h ALA 28 N 1.73 2.14 -0.11 -1.46 0.00 -1.99 0.26 119.26 119.83 2jwn h ALA 28 Ca -0.50 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 2jwn h ALA 28 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2jwn h ALA 28 CO 0.58 -0.34 -0.63 1.49 0.00 0.00 0.00 179.25 180.35 2jwn h GLU 29 N 0.40 0.41 -0.47 0.00 4.57 -2.00 -1.96 114.58 115.53 2jwn h GLU 29 Ca 0.37 -0.29 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 2jwn h GLU 29 Cb 0.88 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2jwn h GLU 29 CO -0.12 0.91 0.10 0.93 -1.18 0.00 0.00 179.01 179.66 2jwn h GLU 30 N 0.30 0.72 -0.25 1.92 3.07 -1.51 -1.67 114.58 117.16 2jwn h GLU 30 Ca -0.01 -0.14 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2jwn h GLU 30 Cb 1.18 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 2jwn h GLU 30 CO 0.11 0.66 0.14 0.87 -1.40 0.00 0.00 179.01 179.39 2jwn h LYS 31 N 0.69 0.28 -0.39 2.33 1.79 -0.59 -1.62 116.57 119.06 2jwn h LYS 31 Ca 0.15 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2jwn h LYS 31 Cb 0.28 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2jwn h LYS 31 CO -0.00 0.18 0.25 0.87 -1.08 0.00 0.00 179.45 179.68 2jwn h LYS 32 N 0.29 0.51 -0.36 3.15 1.57 -0.87 -0.59 116.57 120.27 2jwn h LYS 32 Ca 0.10 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 2jwn h LYS 32 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2jwn h LYS 32 CO -0.06 0.35 -0.33 0.93 -0.57 0.00 0.00 179.45 179.77 2jwn h GLU 33 N 0.52 0.86 -0.22 3.15 4.39 -1.10 -0.67 114.58 121.51 2jwn h GLU 33 Ca 0.14 -0.44 -0.14 0.00 0.34 0.00 0.00 59.36 59.26 2jwn h GLU 33 Cb -0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jwn h GLU 33 CO -0.03 1.09 -0.46 -0.84 -1.16 0.00 0.00 179.01 177.61 2jwn h ILE 34 N 0.66 1.31 -0.44 3.13 3.07 -1.24 -3.12 117.51 120.88 2jwn h ILE 34 Ca 0.06 -1.66 -0.13 0.00 1.55 0.00 0.00 64.86 64.68 2jwn h ILE 34 Cb 0.91 1.64 -0.01 0.00 -0.27 0.00 0.00 36.82 39.09 2jwn h ILE 34 CO 0.08 0.52 -0.25 -0.78 -1.05 0.00 0.00 178.15 176.67 2jwn h ASP 35 N 0.44 0.96 0.48 2.16 3.58 -0.93 -2.68 116.42 120.43 2jwn h ASP 35 Ca 0.03 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2jwn h ASP 35 Cb 0.97 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2jwn h ASP 35 CO 0.09 1.15 0.00 0.29 -2.88 0.00 0.00 179.24 177.89 2jwn n LYS 36 N -4.10 0.17 -0.20 0.28 5.02 -0.27 -1.60 118.16 117.45 2jwn n LYS 36 Ca -0.00 0.49 0.06 0.00 -2.02 0.00 0.00 58.31 56.83 2jwn n LYS 36 Cb 0.47 -1.88 0.15 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.21 2.82 -3.68 1.97 1.74 -1.02 -4.85 116.66 111.42 2jwn n ARG 37 Ca 0.01 -2.17 -0.25 0.00 -0.77 0.00 0.00 57.85 54.68 2jwn n ARG 37 Cb 0.16 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.30 6.34 0.10 0.55 1.04 -0.63 -1.70 113.70 118.11 2jwn s SER 38 Ca 0.24 0.33 0.07 0.00 0.48 0.00 0.00 55.95 57.07 2jwn s SER 38 Cb 0.16 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.27 2jwn s SER 38 CO 0.11 -0.11 -0.17 -0.69 0.98 0.00 0.00 173.24 173.36 2jwn s VAL 39 N -2.01 1.45 -0.20 5.02 1.01 0.82 -0.47 120.40 126.02 2jwn s VAL 39 Ca 0.38 -1.54 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 2jwn s VAL 39 Cb -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2jwn s VAL 39 CO 0.31 -0.22 0.06 -0.47 0.00 0.00 0.00 175.10 174.78 2jwn s TYR 40 N -1.50 3.20 -0.24 5.22 5.04 0.26 -0.98 117.35 128.36 2jwn s TYR 40 Ca 0.05 -0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.62 2jwn s TYR 40 Cb -0.08 -2.11 0.02 0.00 0.35 0.00 0.00 41.96 40.13 2jwn s TYR 40 CO 0.04 0.03 -0.08 0.08 -1.34 0.00 0.00 175.55 174.28 2jwn s VAL 41 N 0.66 2.83 0.33 3.14 1.01 0.30 -1.05 120.40 127.61 2jwn s VAL 41 Ca 0.03 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.15 2jwn s VAL 41 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2jwn s VAL 41 CO 0.02 0.27 0.11 -0.83 0.00 0.00 0.00 175.10 174.67 2jwn s GLY 42 N 1.34 1.92 -1.13 4.51 0.00 0.11 0.18 107.32 114.24 2jwn s GLY 42 Ca 0.01 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.92 2jwn s GLY 42 CO -0.05 -1.77 0.00 -2.01 0.00 0.00 0.00 173.10 169.27 2jwn n ASN 43 N -1.09 -4.11 -4.66 1.64 5.15 -1.09 -2.88 115.26 108.22 2jwn n ASN 43 Ca -0.04 0.14 -0.43 0.00 -0.60 0.00 0.00 54.58 53.65 2jwn n ASN 43 Cb 0.61 -2.99 -0.02 0.00 -0.53 0.00 0.00 39.78 36.85 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 -2.52 4.55 0.09 3.44 0.11 -0.70 -4.88 120.40 120.49 2jwn s VAL 44 Ca 0.00 1.87 0.06 0.00 -2.93 0.00 0.00 61.98 60.98 2jwn s VAL 44 Cb 0.00 -4.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.59 2jwn s VAL 44 CO 0.00 -0.18 -0.05 -0.62 -3.33 0.00 0.00 175.10 170.92 2jwn s ASP 45 N 1.46 4.70 -0.26 3.54 2.15 -1.26 -1.44 116.67 125.57 2jwn s ASP 45 Ca 0.47 -0.28 -0.36 0.00 0.43 0.00 0.00 52.55 52.81 2jwn s ASP 45 Cb -0.17 -1.02 -0.13 0.00 -0.30 0.00 0.00 42.92 41.31 2jwn s ASP 45 CO 0.09 0.18 1.98 -1.22 -0.17 0.00 0.00 175.17 176.03 2jwn n TYR 46 N 0.68 1.94 0.00 -5.34 4.01 -1.26 -2.06 117.16 115.13 2jwn n TYR 46 Ca -0.12 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2jwn n TYR 46 Cb 0.52 -2.55 0.00 0.00 -0.31 0.00 0.00 39.34 37.00 2jwn n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jwn n GLY 47 N 5.29 1.75 3.81 2.72 0.00 -1.26 -5.10 105.19 112.41 2jwn n GLY 47 Ca 0.32 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 5.96 0.53 1.61 0.01 -0.88 -5.11 113.70 115.82 2jwn s SER 48 Ca 0.00 0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.60 2jwn s SER 48 Cb 0.00 -1.82 0.01 0.00 0.21 0.00 0.00 66.02 64.42 2jwn s SER 48 CO 0.00 0.36 0.17 0.42 0.41 0.00 0.00 173.24 174.59 2jwn s THR 49 N -1.06 1.33 0.19 1.44 -4.23 -1.26 -4.86 115.64 107.19 2jwn s THR 49 Ca 0.18 -1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 58.80 2jwn s THR 49 Cb -0.12 -2.13 0.10 0.00 1.34 0.00 0.00 72.50 71.70 2jwn s THR 49 CO 0.07 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.86 2jwn h ALA 50 N 1.09 0.91 -0.73 3.99 0.00 -1.99 -1.67 119.26 120.86 2jwn h ALA 50 Ca -0.41 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.30 2jwn h ALA 50 Cb 1.31 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2jwn h ALA 50 CO 0.67 0.63 0.44 0.37 0.00 0.00 0.00 179.25 181.36 2jwn h GLN 51 N 1.04 0.79 -0.86 0.00 -0.00 -1.99 0.13 115.11 114.22 2jwn h GLN 51 Ca 0.22 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.82 2jwn h GLN 51 Cb 0.38 -0.18 -0.04 0.00 0.00 0.00 0.00 27.48 27.64 2jwn h GLN 51 CO 0.00 0.53 0.53 -0.44 0.00 0.00 0.00 178.83 179.45 2jwn h ASP 52 N 0.82 1.01 -0.19 -0.69 3.32 -1.83 -1.90 116.42 116.97 2jwn h ASP 52 Ca 0.31 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2jwn h ASP 52 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2jwn h ASP 52 CO -0.15 0.77 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.06 2jwn h LEU 53 N 1.18 0.33 0.01 1.55 3.38 -0.34 -2.53 115.31 118.88 2jwn h LEU 53 Ca 0.31 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jwn h LEU 53 Cb -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2jwn h LEU 53 CO -0.06 0.56 -0.05 -0.33 0.09 0.00 0.00 178.44 178.65 2jwn h GLU 54 N 0.09 -0.09 -0.31 1.13 5.08 -0.45 -0.99 114.58 119.04 2jwn h GLU 54 Ca 0.05 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2jwn h GLU 54 Cb 0.39 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2jwn h GLU 54 CO 0.01 -0.06 0.08 0.00 -1.00 0.00 0.00 179.01 178.04 2jwn h ALA 55 N 0.90 0.33 -0.52 3.43 0.00 -1.33 0.58 119.26 122.66 2jwn h ALA 55 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2jwn h ALA 55 Cb 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jwn h ALA 55 CO -0.05 -0.33 -0.11 1.25 0.00 0.00 0.00 179.25 180.01 2jwn h HIS 56 N 0.20 1.12 0.00 0.00 -0.00 -1.36 -2.89 115.15 112.22 2jwn h HIS 56 Ca 0.14 -0.24 -0.06 0.00 -0.00 0.00 0.00 60.37 60.21 2jwn h HIS 56 Cb 0.14 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 2jwn h HIS 56 CO -0.16 1.05 -0.43 0.74 -0.00 0.00 0.00 177.93 179.13 2jwn h PHE 57 N 0.86 0.00 0.00 5.26 -1.00 -0.70 -3.26 116.94 118.10 2jwn h PHE 57 Ca 0.13 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.87 2jwn h PHE 57 Cb 0.68 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 2jwn h PHE 57 CO 0.05 0.29 -0.22 0.77 -1.61 0.00 0.00 178.31 177.59 2jwn h SER 58 N 0.00 0.00 -0.19 2.17 0.02 0.36 -0.48 113.55 115.43 2jwn h SER 58 Ca -0.02 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2jwn h SER 58 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2jwn h SER 58 CO 0.04 0.22 0.13 0.28 -1.14 0.00 0.00 176.83 176.36 2jwn h SER 59 N 0.00 0.14 -0.07 3.07 0.02 -1.57 -1.68 113.55 113.45 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 0.66 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2jwn h SER 59 CO 0.03 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.81 2jwn n GLY 61 N 1.03 0.87 3.54 0.00 0.00 -0.63 -4.14 105.19 105.84 2jwn n GLY 61 Ca 0.17 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 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 5.31 -0.16 1.61 0.01 -1.26 -4.32 113.70 110.89 2jwn s SER 62 Ca 0.00 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.01 2jwn s SER 62 Cb 0.00 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 2jwn s SER 62 CO 0.00 0.09 0.50 -0.63 0.41 0.00 0.00 173.24 173.61 2jwn s ILE 63 N 0.86 5.15 -0.13 1.44 1.01 -1.26 -0.06 121.20 128.21 2jwn s ILE 63 Ca 0.03 0.96 -0.11 0.00 0.00 0.00 0.00 60.65 61.53 2jwn s ILE 63 Cb -0.14 -3.83 -0.26 0.00 0.01 0.00 0.00 42.46 38.25 2jwn s ILE 63 CO 0.02 0.26 0.39 0.78 0.00 0.00 0.00 174.94 176.39 2jwn h ASN 64 N 7.07 0.37 -5.09 3.58 2.35 -0.59 -3.45 115.58 119.80 2jwn h ASN 64 Ca -0.38 -0.87 -0.05 0.00 -0.55 0.00 0.00 56.30 54.45 2jwn h ASN 64 Cb 1.17 -0.12 -0.12 0.00 0.05 0.00 0.00 38.32 39.29 2jwn h ASN 64 CO 0.75 1.77 -0.08 -0.13 -1.65 0.00 0.00 177.43 178.08 2jwn s ARG 65 N -2.52 1.12 -0.08 0.81 0.52 -0.93 -5.02 118.95 112.86 2jwn s ARG 65 Ca -0.23 -0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 54.13 2jwn s ARG 65 Cb 0.06 0.47 0.02 0.00 0.52 0.00 0.00 34.95 36.02 2jwn s ARG 65 CO 0.75 -0.44 0.22 0.96 0.02 0.00 0.00 175.30 176.80 2jwn s ILE 66 N -3.83 -0.00 -0.11 1.52 -4.36 -1.26 -0.26 121.20 112.90 2jwn s ILE 66 Ca 0.05 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.47 2jwn s ILE 66 Cb 0.02 -0.31 0.01 0.00 1.25 0.00 0.00 42.46 43.43 2jwn s ILE 66 CO -0.09 0.00 -0.16 -0.89 0.24 0.00 0.00 174.94 174.04 2jwn s THR 67 N 0.15 1.55 -0.18 8.37 2.01 -0.04 -4.97 115.64 122.53 2jwn s THR 67 Ca -0.00 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2jwn s THR 67 Cb -0.02 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 71.11 2jwn s THR 67 CO 0.00 0.45 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.61 2jwn s ILE 68 N 0.91 1.73 -0.11 1.82 1.09 -1.26 0.13 121.20 125.51 2jwn s ILE 68 Ca -0.08 -0.87 0.03 0.00 -1.10 0.00 0.00 60.65 58.63 2jwn s ILE 68 Cb -0.15 -1.68 0.00 0.00 -1.06 0.00 0.00 42.46 39.57 2jwn s ILE 68 CO -0.01 0.35 -0.23 -1.48 -0.10 0.00 0.00 174.94 173.48 2jwn s LEU 69 N 1.40 2.07 -0.13 2.97 2.34 0.49 -4.99 118.68 122.84 2jwn s LEU 69 Ca 0.02 -0.56 0.01 0.00 0.06 0.00 0.00 54.13 53.66 2jwn s LEU 69 Cb -0.14 -1.40 -0.01 0.00 -0.56 0.00 0.00 46.19 44.08 2jwn s LEU 69 CO -0.10 0.13 -0.15 0.00 -1.06 0.00 0.00 176.35 175.17 2jwn s ASP 71 N 0.42 3.91 0.00 0.00 2.15 0.14 -4.87 116.67 118.41 2jwn s ASP 71 Ca -0.11 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.45 2jwn s ASP 71 Cb -0.16 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 2jwn s ASP 71 CO 0.05 0.08 0.93 1.17 -0.17 0.00 0.00 175.17 177.23 2jwn n LYS 72 N 4.09 2.53 0.21 4.34 4.81 -1.26 0.42 118.16 133.29 2jwn n LYS 72 Ca -0.19 -1.35 0.15 0.00 -0.87 0.00 0.00 58.31 56.05 2jwn n LYS 72 Cb 0.52 -0.95 0.71 0.00 0.02 0.00 0.00 35.03 35.33 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 -0.63 5.64 -5.15 -1.93 0.13 116.94 115.00 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 0.53 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.70 2jwn h PHE 73 CO 0.00 0.00 0.00 0.45 -2.00 0.00 0.00 178.31 176.76 2jwn n SER 74 N -2.57 5.16 0.00 -0.68 2.88 -1.26 -4.95 113.62 112.19 2jwn n SER 74 Ca -0.00 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2jwn n SER 74 Cb 0.15 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jwn n GLY 75 N 0.98 2.81 3.74 0.46 0.00 0.47 -4.98 105.19 108.66 2jwn n GLY 75 Ca 0.27 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 3.62 -0.29 1.61 3.76 -1.26 -4.92 115.29 117.81 2jwn s HIS 76 Ca 0.00 1.19 -0.29 0.00 -0.15 0.00 0.00 55.06 55.81 2jwn s HIS 76 Cb 0.00 -2.69 0.01 0.00 1.11 0.00 0.00 32.58 31.02 2jwn s HIS 76 CO 0.00 0.22 1.06 -1.25 -0.85 0.00 0.00 174.74 173.92 2jwn s PRO 77 N 0.31 4.13 0.31 8.40 0.04 -1.26 -4.02 135.00 142.92 2jwn s PRO 77 Ca 0.33 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.63 2jwn s PRO 77 Cb -0.18 -3.70 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 2jwn s PRO 77 CO 0.17 -0.80 -0.01 0.15 0.04 0.00 0.00 177.00 176.55 2jwn s LYS 78 N 3.47 2.12 0.01 4.56 1.02 0.17 -4.68 119.74 126.41 2jwn s LYS 78 Ca 0.45 -1.63 -0.06 0.00 0.02 0.00 0.00 55.97 54.74 2jwn s LYS 78 Cb -0.13 -2.00 -0.00 0.00 -0.52 0.00 0.00 37.83 35.17 2jwn s LYS 78 CO 0.12 0.23 0.12 0.20 -0.92 0.00 0.00 175.35 175.10 2jwn s GLY 79 N -3.69 0.07 -0.06 -3.33 0.00 -0.52 0.26 107.32 100.05 2jwn s GLY 79 Ca 0.33 -0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 2jwn s GLY 79 CO 0.19 -0.32 0.24 -2.52 0.00 0.00 0.00 173.10 170.68 2jwn s TYR 80 N -1.40 -0.18 0.05 1.90 1.13 -0.03 -1.73 117.35 117.09 2jwn s TYR 80 Ca -0.15 0.40 0.02 0.00 -1.41 0.00 0.00 57.07 55.93 2jwn s TYR 80 Cb -0.08 0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.81 2jwn s TYR 80 CO 0.01 -0.22 -0.07 0.00 -2.51 0.00 0.00 175.55 172.76 2jwn s ALA 81 N -0.52 0.65 -0.14 9.51 0.00 0.13 -0.38 121.76 131.01 2jwn s ALA 81 Ca -0.06 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.01 2jwn s ALA 81 Cb -0.04 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2jwn s ALA 81 CO 0.01 -0.08 -0.19 0.71 0.00 0.00 0.00 175.76 176.21 2jwn s TYR 82 N -1.95 2.50 -0.26 0.00 1.51 0.12 0.11 117.35 119.39 2jwn s TYR 82 Ca -0.05 -1.32 -0.09 0.00 -1.01 0.00 0.00 57.07 54.60 2jwn s TYR 82 Cb -0.06 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 2jwn s TYR 82 CO -0.01 -0.63 0.14 0.42 -1.11 0.00 0.00 175.55 174.35 2jwn s ILE 83 N 1.02 4.94 -0.27 2.71 -1.09 -0.15 -0.87 121.20 127.48 2jwn s ILE 83 Ca -0.03 0.04 -0.09 0.00 -2.23 0.00 0.00 60.65 58.33 2jwn s ILE 83 Cb -0.15 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2jwn s ILE 83 CO -0.05 0.30 0.14 -1.61 -1.23 0.00 0.00 174.94 172.49 2jwn s GLU 84 N 1.56 3.74 0.29 2.79 2.02 0.65 -0.12 118.70 129.63 2jwn s GLU 84 Ca 0.07 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.63 2jwn s GLU 84 Cb -0.15 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 2jwn s GLU 84 CO 0.07 -0.22 0.47 -0.06 0.02 0.00 0.00 175.26 175.54 2jwn s PHE 85 N 1.68 3.48 0.06 1.61 0.08 -0.69 0.11 117.98 124.32 2jwn s PHE 85 Ca 0.06 0.25 -0.20 0.00 0.12 0.00 0.00 56.93 57.16 2jwn s PHE 85 Cb -0.16 -1.80 -0.12 0.00 -0.57 0.00 0.00 43.02 40.38 2jwn s PHE 85 CO 0.07 0.26 1.46 0.00 -0.10 0.00 0.00 175.22 176.92 2jwn h ALA 86 N 1.11 0.23 -2.73 5.36 0.00 -0.78 -3.43 119.26 119.03 2jwn h ALA 86 Ca -0.50 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 53.55 2jwn h ALA 86 Cb 1.22 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 2jwn h ALA 86 CO 0.62 -0.02 -0.79 -1.21 0.00 0.00 0.00 179.25 177.85 2jwn s GLU 87 N -4.83 1.62 0.51 0.00 2.02 -1.26 -5.02 118.70 111.74 2jwn s GLU 87 Ca -0.14 -1.63 0.20 0.00 0.02 0.00 0.00 54.97 53.42 2jwn s GLU 87 Cb 0.06 -1.82 1.31 0.00 0.10 0.00 0.00 34.13 33.77 2jwn s GLU 87 CO 0.73 0.37 2.10 0.00 0.02 0.00 0.00 175.26 178.48 2jwn h ARG 88 N 2.75 0.00 0.00 1.61 2.47 -1.91 -1.87 114.38 117.43 2jwn h ARG 88 Ca -0.43 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.23 2jwn h ARG 88 Cb 1.23 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 2jwn h ARG 88 CO 0.54 0.08 -0.25 -2.95 0.56 0.00 0.00 179.97 177.95 2jwn h ASN 89 N 0.00 0.00 -0.19 7.04 -1.07 -1.95 -2.79 115.58 116.62 2jwn h ASN 89 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.20 2jwn h ASN 89 Cb 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.42 2jwn h ASN 89 CO 0.01 0.25 -0.56 0.28 0.07 0.00 0.00 177.43 177.48 2jwn h SER 90 N 0.00 0.82 -0.78 6.14 0.02 -1.49 -2.52 113.55 115.74 2jwn h SER 90 Ca -0.00 -0.59 -0.05 0.00 -0.84 0.00 0.00 61.79 60.31 2jwn h SER 90 Cb 0.76 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2jwn h SER 90 CO 0.03 1.26 0.30 1.62 -1.14 0.00 0.00 176.83 178.90 2jwn h VAL 91 N 0.42 1.26 -0.40 2.27 3.04 -1.53 -1.05 116.25 120.27 2jwn h VAL 91 Ca -0.02 -0.85 -0.04 0.00 -1.01 0.00 0.00 66.70 64.79 2jwn h VAL 91 Cb 1.18 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 2jwn h VAL 91 CO 0.12 0.34 0.09 -0.78 -1.01 0.00 0.00 177.57 176.34 2jwn h ASP 92 N 1.15 0.54 -0.00 3.17 1.82 -1.49 -0.88 116.42 120.72 2jwn h ASP 92 Ca 0.26 -0.08 -0.23 0.00 -0.39 0.00 0.00 57.03 56.59 2jwn h ASP 92 Cb 0.24 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.12 2jwn h ASP 92 CO -0.02 0.55 -0.84 0.00 -1.61 0.00 0.00 179.24 177.32 2jwn h ALA 93 N 1.53 0.33 -0.19 -0.78 0.00 -0.94 -3.26 119.26 115.95 2jwn h ALA 93 Ca 0.13 -0.63 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2jwn h ALA 93 Cb 0.23 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jwn h ALA 93 CO -0.00 0.71 -0.71 0.00 0.00 0.00 0.00 179.25 179.25 2jwn h ALA 94 N 0.61 0.34 -0.01 0.00 0.00 -0.76 -2.94 119.26 116.51 2jwn h ALA 94 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jwn h ALA 94 Cb 1.46 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jwn h ALA 94 CO 0.16 0.67 0.03 -0.39 0.00 0.00 0.00 179.25 179.72 2jwn h VAL 95 N 0.56 0.21 0.00 0.00 -1.51 -1.27 -0.44 116.25 113.80 2jwn h VAL 95 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2jwn h VAL 95 Cb 1.33 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2jwn h VAL 95 CO 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.49 2jwn n ALA 96 N -2.17 1.75 -0.06 5.19 0.00 -1.11 -1.49 120.51 122.62 2jwn n ALA 96 Ca -0.03 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.45 2jwn n ALA 96 Cb 0.11 -1.26 0.22 0.00 0.00 0.00 0.00 19.45 18.51 2jwn n ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jwn n MET 97 N -1.49 2.52 -0.30 0.00 1.56 -0.17 -4.78 117.12 114.45 2jwn n MET 97 Ca 0.04 -2.24 0.04 0.00 -0.27 0.00 0.00 57.70 55.27 2jwn n MET 97 Cb 0.19 -1.43 0.10 0.00 2.15 0.00 0.00 33.22 34.23 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2jwn n ASP 98 N 1.16 -0.35 -2.78 6.12 5.75 -0.56 -1.77 116.55 124.13 2jwn n ASP 98 Ca 0.17 1.43 -0.25 0.00 -0.01 0.00 0.00 54.79 56.13 2jwn n ASP 98 Cb 0.53 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 2jwn n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jwn n GLU 99 N -5.32 2.91 -1.79 0.11 1.02 -1.26 -1.54 120.64 114.77 2jwn n GLU 99 Ca 0.12 -4.45 -0.13 0.00 -0.02 0.00 0.00 57.16 52.67 2jwn n GLU 99 Cb 0.39 -2.11 0.07 0.00 -0.02 0.00 0.00 31.44 29.78 2jwn n GLU 99 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jwn n THR 100 N -0.26 0.00 -4.40 2.62 -2.24 -0.73 -4.94 114.28 104.34 2jwn n THR 100 Ca 0.31 -0.94 -0.34 0.00 -2.27 0.00 0.00 64.05 60.82 2jwn n THR 100 Cb 0.55 -1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 67.57 2jwn n THR 100 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jwn s VAL 101 N -1.68 3.23 -0.24 2.28 0.11 -1.26 -2.25 120.40 120.60 2jwn s VAL 101 Ca 0.39 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 58.82 2jwn s VAL 101 Cb -0.02 -2.40 -0.00 0.00 -1.53 0.00 0.00 36.38 32.42 2jwn s VAL 101 CO 0.26 0.49 -0.01 0.12 -3.33 0.00 0.00 175.10 172.62 2jwn s PHE 102 N 0.78 3.01 -0.56 1.54 2.19 0.18 -4.64 117.98 120.48 2jwn s PHE 102 Ca -0.04 -0.95 -0.04 0.00 0.33 0.00 0.00 56.93 56.24 2jwn s PHE 102 Cb -0.15 -2.14 0.03 0.00 -1.31 0.00 0.00 43.02 39.46 2jwn s PHE 102 CO 0.01 -0.55 0.12 0.54 1.83 0.00 0.00 175.22 177.17 2jwn n ARG 103 N 4.81 -2.64 0.00 10.12 1.74 -1.26 -0.80 116.66 128.63 2jwn n ARG 103 Ca -0.17 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2jwn n ARG 103 Cb 0.50 -4.74 0.00 0.00 -1.02 0.00 0.00 32.46 27.20 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 -0.69 0.58 3.29 -0.13 0.00 -1.26 -5.09 105.19 101.89 2jwn n GLY 104 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.62 1.42 -0.24 1.61 1.70 0.02 -5.09 118.95 117.76 2jwn s ARG 105 Ca 0.00 -1.05 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 2jwn s ARG 105 Cb 0.00 -1.61 0.00 0.00 -0.57 0.00 0.00 34.95 32.77 2jwn s ARG 105 CO 0.00 0.40 1.13 0.99 -1.08 0.00 0.00 175.30 176.74 2jwn s THR 106 N -0.88 4.50 0.42 4.99 2.01 -1.26 0.48 115.64 125.89 2jwn s THR 106 Ca 0.09 1.78 0.08 0.00 0.31 0.00 0.00 61.69 63.95 2jwn s THR 106 Cb -0.09 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 2jwn s THR 106 CO 0.03 -0.25 0.44 0.27 -0.69 0.00 0.00 174.62 174.42 2jwn s ILE 107 N 3.47 2.78 -0.05 1.82 -5.25 -0.95 -4.90 121.20 118.11 2jwn s ILE 107 Ca 0.48 -1.23 0.02 0.00 -0.99 0.00 0.00 60.65 58.94 2jwn s ILE 107 Cb -0.16 -3.00 0.01 0.00 2.95 0.00 0.00 42.46 42.26 2jwn s ILE 107 CO 0.11 -0.00 -0.10 -0.75 -1.79 0.00 0.00 174.94 172.41 2jwn s LYS 108 N -4.21 1.38 -0.04 0.37 2.47 -1.14 -3.90 119.74 114.67 2jwn s LYS 108 Ca 0.50 -0.33 0.04 0.00 -1.56 0.00 0.00 55.97 54.62 2jwn s LYS 108 Cb -0.05 -1.20 -0.00 0.00 -1.46 0.00 0.00 37.83 35.12 2jwn s LYS 108 CO 0.30 0.03 -0.17 0.14 0.16 0.00 0.00 175.35 175.81 2jwn s VAL 109 N 0.61 1.38 0.06 4.02 -7.23 -0.59 0.07 120.40 118.72 2jwn s VAL 109 Ca -0.12 -0.69 0.05 0.00 -1.81 0.00 0.00 61.98 59.41 2jwn s VAL 109 Cb -0.14 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2jwn s VAL 109 CO 0.02 0.40 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.32 2jwn s LEU 110 N 0.05 2.24 0.13 1.32 1.43 -0.22 -4.41 118.68 119.22 2jwn s LEU 110 Ca -0.04 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 2jwn s LEU 110 Cb -0.11 -0.51 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 2jwn s LEU 110 CO 0.02 -0.05 0.97 -2.16 0.23 0.00 0.00 176.35 175.36 2jwn s PRO 111 N -1.51 4.70 -1.40 1.29 0.04 -1.26 0.93 135.00 137.79 2jwn s PRO 111 Ca -0.02 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 2jwn s PRO 111 Cb -0.09 -3.36 0.08 0.00 0.04 0.00 0.00 34.50 31.17 2jwn s PRO 111 CO 0.02 0.23 2.17 1.17 0.04 0.00 0.00 177.00 180.63 2jwn n LYS 112 N 2.61 3.34 -0.44 4.56 4.81 0.38 -3.43 118.16 129.99 2jwn n LYS 112 Ca 0.02 -2.97 -0.01 0.00 -0.87 0.00 0.00 58.31 54.48 2jwn n LYS 112 Cb 0.49 -3.06 -0.01 0.00 0.02 0.00 0.00 35.03 32.46 2jwn n LYS 112 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2jwn n ARG 113 N 4.72 0.00 -0.03 1.64 -4.01 -1.26 -4.21 116.66 113.51 2jwn n ARG 113 Ca 0.50 -0.12 -0.00 0.00 -1.04 0.00 0.00 57.85 57.19 2jwn n ARG 113 Cb 0.36 0.35 0.01 0.00 -3.04 0.00 0.00 32.46 30.14 2jwn n ARG 113 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 2jwn n THR 114 N 0.00 0.44 0.00 8.89 -1.04 -1.22 -4.87 114.28 116.48 2jwn n THR 114 Ca -0.03 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2jwn n THR 114 Cb 0.26 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 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 0.17 0.00 0.03 8.00 5.15 -1.26 -4.35 115.26 123.00 2jwn n ASN 115 Ca 0.01 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.87 2jwn n ASN 115 Cb 0.37 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.54 2jwn n ASN 115 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 2jwn h MET 116 N 0.00 -0.02 -6.15 1.20 2.86 -1.98 -3.33 114.93 107.51 2jwn h MET 116 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 2jwn h MET 116 Cb 0.00 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.57 2jwn h MET 116 CO 0.00 0.14 1.08 -2.14 1.06 0.00 0.00 176.91 177.05 2jwn s PRO 117 N -5.54 3.27 0.00 -0.22 0.02 -1.26 -4.82 135.00 126.45 2jwn s PRO 117 Ca -0.14 -0.54 0.00 0.00 0.02 0.00 0.00 61.00 60.34 2jwn s PRO 117 Cb 0.04 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 30.12 2jwn s PRO 117 CO 0.66 -2.11 0.00 0.41 -0.33 0.00 0.00 177.00 175.63 2jwn n GLY 118 N 5.68 -0.88 0.52 0.52 0.00 -1.25 -4.24 105.19 105.54 2jwn n GLY 118 Ca 0.09 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 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 9.00 0.90 0.00 -0.61 2.08 -1.26 -5.02 119.36 124.45 2jwn n ILE 119 Ca 0.00 0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.58 2jwn n ILE 119 Cb 0.00 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 2jwn n ILE 119 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2jwn n SER 120 N -3.48 0.00 0.00 4.38 2.88 -1.26 -4.77 113.62 111.37 2jwn n SER 120 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2jwn n SER 120 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2jwn n SER 120 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jwn n SER 121 N 3.41 0.00 -3.64 -3.46 2.88 -1.26 -5.17 113.62 106.37 2jwn n SER 121 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2jwn n SER 121 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2jwn n SER 121 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jwn s THR 122 N -2.66 -0.00 0.00 2.46 -1.32 -1.26 -4.99 115.64 107.86 2jwn s THR 122 Ca 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 2jwn s THR 122 Cb 0.00 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 2jwn s THR 122 CO 0.00 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.74 2jwn n ASP 123 N 3.82 0.00 0.00 8.08 2.03 -1.26 -5.33 116.55 123.89 2jwn n ASP 123 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2jwn n ASP 123 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2jwn n ASP 123 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14