#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 1.98 -0.26 0.00 -4.36 -1.26 -5.10 121.20 112.21 2jwn s ILE 2 Ca 0.00 -0.96 -0.09 0.00 -0.26 0.00 0.00 60.65 59.34 2jwn s ILE 2 Cb 0.00 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 2jwn s ILE 2 CO 0.00 0.54 0.14 0.00 0.24 0.00 0.00 174.94 175.86 2jwn s ALA 3 N 0.56 3.41 -0.06 2.27 0.00 -1.26 -5.04 121.76 121.64 2jwn s ALA 3 Ca -0.14 -1.05 -0.33 0.00 0.00 0.00 0.00 51.96 50.44 2jwn s ALA 3 Cb -0.17 -2.29 -0.11 0.00 0.00 0.00 0.00 23.12 20.55 2jwn s ALA 3 CO 0.04 -0.43 1.90 -0.35 0.00 0.00 0.00 175.76 176.92 2jwn n PRO 4 N 4.80 2.31 -3.60 0.00 -0.04 -1.26 -4.94 135.00 132.27 2jwn n PRO 4 Ca -0.15 0.85 -0.39 0.00 -0.04 0.00 0.00 63.50 63.77 2jwn n PRO 4 Cb 0.52 -2.71 -0.11 0.00 -0.04 0.00 0.00 33.50 31.15 2jwn n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jwn s MET 6 N 1.68 4.06 -0.67 0.00 -1.94 -1.26 -5.02 119.30 116.15 2jwn s MET 6 Ca 0.06 -0.04 -0.26 0.00 -1.71 0.00 0.00 55.69 53.74 2jwn s MET 6 Cb -0.17 -3.60 0.04 0.00 2.01 0.00 0.00 34.83 33.11 2jwn s MET 6 CO 0.09 -0.13 1.14 1.14 -0.01 0.00 0.00 175.02 177.24 2jwn s GLN 7 N 1.62 3.24 0.10 2.03 -2.07 -1.26 -4.96 119.66 118.36 2jwn s GLN 7 Ca 0.13 -0.32 -0.31 0.00 -1.82 0.00 0.00 55.36 53.04 2jwn s GLN 7 Cb -0.15 -4.15 -0.11 0.00 -1.09 0.00 0.00 33.01 27.51 2jwn s GLN 7 CO 0.08 -1.90 1.85 0.25 -1.32 0.00 0.00 175.29 174.25 2jwn n THR 8 N 6.28 0.41 -3.14 3.63 -2.24 -1.26 -4.95 114.28 113.02 2jwn n THR 8 Ca 0.02 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 2jwn n THR 8 Cb 0.48 -2.11 -0.05 0.00 -2.10 0.00 0.00 70.33 66.55 2jwn n THR 8 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jwn s THR 9 N 2.95 5.08 -0.39 4.28 -1.32 -1.26 -5.02 115.64 119.96 2jwn s THR 9 Ca 0.83 1.29 0.01 0.00 -1.21 0.00 0.00 61.69 62.61 2jwn s THR 9 Cb -0.50 -3.97 0.13 0.00 -1.51 0.00 0.00 72.50 66.65 2jwn s THR 9 CO 0.39 0.29 0.20 -1.38 -2.21 0.00 0.00 174.62 171.90 2jwn s HIS 10 N 0.66 1.74 0.38 9.09 -3.43 -1.26 -5.11 115.29 117.37 2jwn s HIS 10 Ca 0.34 -2.13 -0.24 0.00 -0.80 0.00 0.00 55.06 52.23 2jwn s HIS 10 Cb -0.17 -1.71 -0.10 0.00 -1.43 0.00 0.00 32.58 29.17 2jwn s HIS 10 CO 0.16 -0.82 0.98 0.45 -2.00 0.00 0.00 174.74 173.51 2jwn s SER 11 N 0.79 7.02 -0.76 7.38 0.15 -1.26 -4.99 113.70 122.03 2jwn s SER 11 Ca 0.16 1.84 -0.23 0.00 0.70 0.00 0.00 55.95 58.42 2jwn s SER 11 Cb -0.22 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.59 2jwn s SER 11 CO -0.06 -0.30 1.11 -0.54 1.20 0.00 0.00 173.24 174.64 2jwn s LYS 12 N -2.58 3.25 -0.40 5.44 3.01 -1.26 -4.97 119.74 122.24 2jwn s LYS 12 Ca 0.57 -0.89 -0.28 0.00 -1.01 0.00 0.00 55.97 54.35 2jwn s LYS 12 Cb -0.16 -4.45 -0.00 0.00 -1.01 0.00 0.00 37.83 32.21 2jwn s LYS 12 CO 0.21 -1.92 1.56 0.00 0.51 0.00 0.00 175.35 175.71 2jwn s MET 13 N 4.29 3.43 0.16 1.68 0.23 -1.26 -4.94 119.30 122.89 2jwn s MET 13 Ca 0.29 1.06 -0.28 0.00 -1.03 0.00 0.00 55.69 55.72 2jwn s MET 13 Cb -0.11 -4.11 -0.07 0.00 -1.53 0.00 0.00 34.83 29.01 2jwn s MET 13 CO 0.06 -1.74 0.89 -0.08 -2.03 0.00 0.00 175.02 172.12 2jwn s THR 14 N 6.12 4.35 -0.92 3.16 -1.32 -1.26 -4.98 115.64 120.80 2jwn s THR 14 Ca 0.67 1.94 -0.21 0.00 -1.21 0.00 0.00 61.69 62.88 2jwn s THR 14 Cb -0.16 -4.26 0.09 0.00 -1.51 0.00 0.00 72.50 66.66 2jwn s THR 14 CO 0.32 0.43 1.23 0.00 -2.21 0.00 0.00 174.62 174.39 2jwn s ALA 15 N -0.66 3.08 -1.26 11.08 0.00 -1.26 -4.92 121.76 127.83 2jwn s ALA 15 Ca 0.41 -2.42 -0.12 0.00 0.00 0.00 0.00 51.96 49.83 2jwn s ALA 15 Cb -0.24 -4.20 0.16 0.00 0.00 0.00 0.00 23.12 18.84 2jwn s ALA 15 CO 0.29 -3.19 1.68 0.41 0.00 0.00 0.00 175.76 174.95 2jwn n GLY 16 N 5.94 3.95 3.76 0.00 0.00 -1.26 -4.96 105.19 112.62 2jwn n GLY 16 Ca 0.23 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 1.33 3.69 -1.33 4.61 0.00 -1.26 -5.01 121.76 123.78 2jwn s ALA 17 Ca 0.42 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 2jwn s ALA 17 Cb 0.04 -2.04 0.06 0.00 0.00 0.00 0.00 23.12 21.17 2jwn s ALA 17 CO 0.00 0.33 1.86 0.66 0.00 0.00 0.00 175.76 178.61 2jwn n TYR 18 N 2.98 4.33 0.00 0.00 4.01 -1.26 -4.73 117.16 122.49 2jwn n TYR 18 Ca -0.17 -2.82 0.00 0.00 -0.16 0.00 0.00 57.90 54.74 2jwn n TYR 18 Cb 0.53 -2.61 0.00 0.00 -0.31 0.00 0.00 39.34 36.95 2jwn n TYR 18 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2jwn n THR 19 N 6.14 0.00 -3.75 -0.72 -1.04 -1.25 -2.72 114.28 110.94 2jwn n THR 19 Ca 0.50 0.30 -0.13 0.00 -2.04 0.00 0.00 64.05 62.67 2jwn n THR 19 Cb 0.44 -1.27 -0.09 0.00 -1.82 0.00 0.00 70.33 67.60 2jwn n THR 19 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2jwn s GLU 20 N -0.81 0.67 4.42 -2.82 -6.30 -1.24 -4.45 118.70 108.17 2jwn s GLU 20 Ca 0.00 -0.13 0.00 0.00 -2.50 0.00 0.00 54.97 52.34 2jwn s GLU 20 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 34.13 34.43 2jwn s GLU 20 CO 0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.51 2jwn n GLY 21 N 1.36 0.43 0.19 -1.50 0.00 -1.26 -3.95 105.19 100.46 2jwn n GLY 21 Ca -0.21 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.03 -6.59 1.61 0.11 -2.00 -3.41 132.00 121.69 2jwn h PRO 22 Ca 0.00 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.53 2jwn h PRO 22 Cb 0.00 0.01 0.08 0.00 0.11 0.00 0.00 31.00 31.20 2jwn h PRO 22 CO 0.00 -0.02 0.60 -0.35 -0.21 0.00 0.00 178.00 178.02 2jwn n PRO 23 N -5.33 2.01 -2.27 1.05 -0.04 -1.25 -4.99 135.00 124.17 2jwn n PRO 23 Ca 0.03 0.71 -0.28 0.00 -0.04 0.00 0.00 63.50 63.92 2jwn n PRO 23 Cb 0.24 -2.36 0.02 0.00 -0.04 0.00 0.00 33.50 31.37 2jwn n PRO 23 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2jwn s GLN 24 N -0.47 3.14 0.03 0.54 -1.52 -1.26 -3.65 119.66 116.47 2jwn s GLN 24 Ca 0.68 0.24 -0.34 0.00 -1.95 0.00 0.00 55.36 53.98 2jwn s GLN 24 Cb -0.65 -2.22 -0.13 0.00 -0.22 0.00 0.00 33.01 29.79 2jwn s GLN 24 CO 0.50 -0.64 1.72 -2.30 -0.25 0.00 0.00 175.29 174.32 2jwn n PRO 25 N -2.62 2.11 -1.09 2.91 -0.02 -1.26 -3.80 135.00 131.23 2jwn n PRO 25 Ca 0.04 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 62.00 2jwn n PRO 25 Cb 0.56 -2.57 0.16 0.00 -0.02 0.00 0.00 33.50 31.64 2jwn n PRO 25 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2jwn s LEU 26 N 2.44 1.99 0.66 2.45 -0.00 -1.10 -5.01 118.68 120.10 2jwn s LEU 26 Ca 0.86 1.47 -0.13 0.00 -0.00 0.00 0.00 54.13 56.33 2jwn s LEU 26 Cb -0.70 -3.78 -0.00 0.00 -0.00 0.00 0.00 46.19 41.70 2jwn s LEU 26 CO 0.45 -2.95 1.07 -0.55 -0.00 0.00 0.00 176.35 174.37 2jwn s SER 27 N -3.28 5.40 0.20 1.48 0.15 -1.26 -4.89 113.70 111.50 2jwn s SER 27 Ca 0.65 1.76 -0.10 0.00 0.70 0.00 0.00 55.95 58.95 2jwn s SER 27 Cb -0.19 -2.52 0.24 0.00 -1.71 0.00 0.00 66.02 61.84 2jwn s SER 27 CO 0.58 -1.43 1.75 0.00 1.20 0.00 0.00 173.24 175.34 2jwn h ALA 28 N -0.23 0.75 -0.62 5.45 0.00 -1.95 -1.93 119.26 120.72 2jwn h ALA 28 Ca -0.45 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.55 2jwn h ALA 28 Cb 1.22 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2jwn h ALA 28 CO 0.56 -0.16 0.38 0.93 0.00 0.00 0.00 179.25 180.96 2jwn h GLU 29 N 0.43 0.74 -0.65 0.00 4.39 -1.95 -1.83 114.58 115.70 2jwn h GLU 29 Ca 0.29 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.96 2jwn h GLU 29 Cb 0.32 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2jwn h GLU 29 CO -0.27 0.49 0.43 0.93 -1.16 0.00 0.00 179.01 179.43 2jwn h GLU 30 N 0.76 0.80 0.13 2.33 3.07 -1.77 -2.01 114.58 117.88 2jwn h GLU 30 Ca 0.25 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2jwn h GLU 30 Cb 0.02 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 2jwn h GLU 30 CO -0.10 0.53 -0.06 0.87 -1.40 0.00 0.00 179.01 178.85 2jwn h LYS 31 N 0.83 -0.17 -0.82 2.33 1.57 -0.62 -0.74 116.57 118.94 2jwn h LYS 31 Ca 0.25 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.21 2jwn h LYS 31 Cb -0.00 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 2jwn h LYS 31 CO -0.06 0.12 0.54 0.87 -0.57 0.00 0.00 179.45 180.35 2jwn h LYS 32 N -0.46 0.44 -0.03 3.15 1.57 -1.07 0.26 116.57 120.44 2jwn h LYS 32 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2jwn h LYS 32 Cb 0.37 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2jwn h LYS 32 CO 0.03 0.29 -0.04 0.93 -0.57 0.00 0.00 179.45 180.09 2jwn h GLU 33 N 0.45 0.07 -0.21 3.15 4.39 -1.12 -3.28 114.58 118.04 2jwn h GLU 33 Ca 0.41 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.92 2jwn h GLU 33 Cb 0.92 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2jwn h GLU 33 CO -0.15 0.60 -0.48 -0.84 -1.16 0.00 0.00 179.01 176.99 2jwn h ILE 34 N -0.45 1.31 -0.95 3.13 3.07 -0.12 -3.05 117.51 120.45 2jwn h ILE 34 Ca 0.00 -1.69 0.07 0.00 1.55 0.00 0.00 64.86 64.80 2jwn h ILE 34 Cb 0.60 1.66 -0.06 0.00 -0.27 0.00 0.00 36.82 38.74 2jwn h ILE 34 CO 0.01 0.53 0.61 0.44 -1.05 0.00 0.00 178.15 178.69 2jwn h ASP 35 N 0.45 0.94 -0.81 2.16 5.19 -0.65 -2.23 116.42 121.49 2jwn h ASP 35 Ca 0.02 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.52 2jwn h ASP 35 Cb 1.00 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.27 2jwn h ASP 35 CO 0.09 0.59 0.53 0.11 -3.12 0.00 0.00 179.24 177.44 2jwn h LYS 36 N 1.06 0.84 -0.19 3.56 1.57 -1.59 -3.22 116.57 118.61 2jwn h LYS 36 Ca 0.42 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2jwn h LYS 36 Cb 0.24 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2jwn h LYS 36 CO -0.17 0.56 0.00 2.89 -0.57 0.00 0.00 179.45 182.16 2jwn n ARG 37 N -4.49 2.63 -4.07 3.15 1.85 -0.85 -4.81 116.66 110.07 2jwn n ARG 37 Ca 0.12 -2.26 -0.23 0.00 -1.00 0.00 0.00 57.85 54.47 2jwn n ARG 37 Cb 0.23 -1.42 -0.04 0.00 -1.05 0.00 0.00 32.46 30.17 2jwn n ARG 37 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2jwn s SER 38 N -1.61 5.74 0.13 2.89 1.04 -1.11 -0.73 113.70 120.04 2jwn s SER 38 Ca 0.25 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 2jwn s SER 38 Cb 0.19 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 2jwn s SER 38 CO 0.08 -0.01 0.06 0.68 0.98 0.00 0.00 173.24 175.03 2jwn s VAL 39 N -1.97 0.11 -0.15 5.02 -7.23 0.64 -0.30 120.40 116.52 2jwn s VAL 39 Ca 0.33 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2jwn s VAL 39 Cb -0.09 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 2jwn s VAL 39 CO 0.26 -0.50 -0.10 -0.47 -0.31 0.00 0.00 175.10 173.98 2jwn s TYR 40 N -4.03 2.87 -0.22 2.82 5.04 0.29 -1.70 117.35 122.42 2jwn s TYR 40 Ca 0.22 -0.67 0.02 0.00 -2.44 0.00 0.00 57.07 54.21 2jwn s TYR 40 Cb 0.07 -1.91 0.04 0.00 0.35 0.00 0.00 41.96 40.51 2jwn s TYR 40 CO 0.01 -0.26 -0.15 0.08 -1.34 0.00 0.00 175.55 173.89 2jwn s VAL 41 N 0.59 2.09 0.38 3.14 1.01 0.23 -0.51 120.40 127.34 2jwn s VAL 41 Ca -0.06 -1.31 0.08 0.00 0.00 0.00 0.00 61.98 60.68 2jwn s VAL 41 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2jwn s VAL 41 CO 0.03 0.22 0.24 -0.83 0.00 0.00 0.00 175.10 174.76 2jwn s GLY 42 N 1.20 2.10 -0.80 4.51 0.00 0.12 0.03 107.32 114.48 2jwn s GLY 42 Ca -0.03 -1.91 -0.02 0.00 0.00 0.00 0.00 44.72 42.76 2jwn s GLY 42 CO -0.08 -1.77 0.74 -2.01 0.00 0.00 0.00 173.10 169.98 2jwn n ASN 43 N -1.32 -7.30 -4.25 1.64 5.15 -1.18 -2.74 115.26 105.26 2jwn n ASN 43 Ca -0.00 -0.25 -0.31 0.00 -0.60 0.00 0.00 54.58 53.42 2jwn n ASN 43 Cb 0.62 -5.15 -0.16 0.00 -0.53 0.00 0.00 39.78 34.56 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 -3.11 1.99 0.37 3.44 0.11 -0.62 -4.67 120.40 117.91 2jwn s VAL 44 Ca 0.13 -1.03 0.08 0.00 -2.93 0.00 0.00 61.98 58.23 2jwn s VAL 44 Cb -0.02 -1.68 -0.05 0.00 -1.53 0.00 0.00 36.38 33.10 2jwn s VAL 44 CO 0.72 0.55 0.15 -1.81 -3.33 0.00 0.00 175.10 171.39 2jwn s ASP 45 N -0.13 4.54 -0.39 3.54 1.11 -1.26 -0.82 116.67 123.25 2jwn s ASP 45 Ca -0.04 -0.91 -0.27 0.00 0.18 0.00 0.00 52.55 51.51 2jwn s ASP 45 Cb -0.14 -0.60 -0.06 0.00 1.07 0.00 0.00 42.92 43.19 2jwn s ASP 45 CO 0.04 -0.39 2.35 -1.22 1.18 0.00 0.00 175.17 177.12 2jwn n TYR 46 N -1.17 1.62 0.00 4.23 4.02 -1.26 -3.20 117.16 121.40 2jwn n TYR 46 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2jwn n TYR 46 Cb 0.63 -2.67 0.00 0.00 -0.02 0.00 0.00 39.34 37.27 2jwn n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jwn n GLY 47 N 5.93 -0.00 3.89 2.72 0.00 -1.26 -5.11 105.19 111.36 2jwn n GLY 47 Ca 0.35 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.43 6.52 0.48 1.61 0.01 -1.19 -5.08 113.70 114.61 2jwn s SER 48 Ca 0.00 0.67 0.02 0.00 1.31 0.00 0.00 55.95 57.96 2jwn s SER 48 Cb 0.00 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 2jwn s SER 48 CO 0.00 0.00 0.07 0.42 0.41 0.00 0.00 173.24 174.14 2jwn s THR 49 N -1.73 0.83 0.15 1.44 -4.23 -1.26 -4.94 115.64 105.89 2jwn s THR 49 Ca 0.43 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 2jwn s THR 49 Cb -0.12 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.56 2jwn s THR 49 CO 0.24 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 176.09 2jwn h ALA 50 N 1.50 0.55 -0.94 3.99 0.00 -1.99 -0.81 119.26 121.57 2jwn h ALA 50 Ca -0.40 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2jwn h ALA 50 Cb 1.30 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2jwn h ALA 50 CO 0.65 0.06 0.62 0.37 0.00 0.00 0.00 179.25 180.94 2jwn h GLN 51 N 0.56 1.14 -0.43 0.00 4.15 -1.99 0.39 115.11 118.94 2jwn h GLN 51 Ca 0.15 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.39 2jwn h GLN 51 Cb 0.03 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 2jwn h GLN 51 CO -0.03 0.75 -0.19 0.22 -1.93 0.00 0.00 178.83 177.66 2jwn h ASP 52 N 1.17 0.83 -0.23 -0.69 3.58 -1.79 -2.53 116.42 116.76 2jwn h ASP 52 Ca 0.37 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2jwn h ASP 52 Cb 0.02 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2jwn h ASP 52 CO -0.12 1.01 -0.01 -0.07 -2.88 0.00 0.00 179.24 177.17 2jwn h LEU 53 N 0.73 0.40 -0.33 2.28 3.38 -0.36 -3.00 115.31 118.41 2jwn h LEU 53 Ca 0.11 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2jwn h LEU 53 Cb 0.70 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2jwn h LEU 53 CO 0.05 0.62 0.16 -0.33 0.09 0.00 0.00 178.44 179.04 2jwn h GLU 54 N 0.18 0.33 -0.44 1.13 5.08 -0.84 -2.17 114.58 117.84 2jwn h GLU 54 Ca 0.06 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2jwn h GLU 54 Cb 0.42 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2jwn h GLU 54 CO 0.01 0.22 0.12 0.00 -1.00 0.00 0.00 179.01 178.36 2jwn h ALA 55 N 1.17 0.51 -0.56 3.43 0.00 -1.40 0.73 119.26 123.13 2jwn h ALA 55 Ca 0.14 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2jwn h ALA 55 Cb 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jwn h ALA 55 CO -0.10 -0.28 -0.03 1.25 0.00 0.00 0.00 179.25 180.10 2jwn h HIS 56 N 0.27 1.09 0.00 0.00 -0.00 -1.38 -2.74 115.15 112.38 2jwn h HIS 56 Ca 0.21 -0.19 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 2jwn h HIS 56 Cb 0.25 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 2jwn h HIS 56 CO -0.19 0.98 -0.47 0.74 -0.00 0.00 0.00 177.93 178.99 2jwn h PHE 57 N 0.91 0.00 -0.05 5.26 0.04 -0.80 -3.31 116.94 118.99 2jwn h PHE 57 Ca 0.16 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.85 2jwn h PHE 57 Cb 0.56 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 2jwn h PHE 57 CO 0.04 0.26 -0.35 1.03 -0.60 0.00 0.00 178.31 178.69 2jwn h SER 58 N 0.00 0.09 0.20 2.17 0.87 0.75 -0.07 113.55 117.56 2jwn h SER 58 Ca -0.02 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2jwn h SER 58 Cb 1.22 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2jwn h SER 58 CO 0.03 0.44 -0.01 0.28 -0.53 0.00 0.00 176.83 177.04 2jwn h SER 59 N 0.08 0.00 -0.32 6.23 0.02 -1.62 -1.34 113.55 116.61 2jwn h SER 59 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2jwn h SER 59 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2jwn h SER 59 CO 0.05 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.75 2jwn n GLY 61 N 1.39 0.29 3.59 0.00 0.00 -0.50 -4.02 105.19 105.93 2jwn n GLY 61 Ca 0.18 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.19 6.30 0.10 1.61 0.01 -1.26 -4.23 113.70 113.03 2jwn s SER 62 Ca 0.00 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.19 2jwn s SER 62 Cb 0.00 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 2jwn s SER 62 CO 0.00 -0.28 1.10 -0.63 0.41 0.00 0.00 173.24 173.84 2jwn s ILE 63 N 2.19 4.17 -0.25 1.44 1.01 -1.26 -0.70 121.20 127.80 2jwn s ILE 63 Ca 0.17 1.69 -0.11 0.00 0.00 0.00 0.00 60.65 62.40 2jwn s ILE 63 Cb -0.16 -4.08 -0.16 0.00 0.01 0.00 0.00 42.46 38.07 2jwn s ILE 63 CO 0.11 0.20 -0.16 -3.20 0.00 0.00 0.00 174.94 171.89 2jwn n ASN 64 N 3.22 1.96 -3.66 3.58 5.15 0.15 -4.71 115.26 120.95 2jwn n ASN 64 Ca 0.05 0.22 -0.10 0.00 -0.60 0.00 0.00 54.58 54.15 2jwn n ASN 64 Cb 0.47 -0.74 -0.04 0.00 -0.53 0.00 0.00 39.78 38.94 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2jwn s ARG 65 N -2.49 1.28 -0.06 1.20 0.52 -0.28 -5.00 118.95 114.11 2jwn s ARG 65 Ca -0.35 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.00 2jwn s ARG 65 Cb 0.11 0.52 0.02 0.00 0.52 0.00 0.00 34.95 36.12 2jwn s ARG 65 CO 0.56 -0.54 0.27 0.96 0.02 0.00 0.00 175.30 176.58 2jwn s ILE 66 N -3.83 0.03 -0.08 1.52 -4.36 -1.26 0.08 121.20 113.29 2jwn s ILE 66 Ca 0.06 -0.23 0.03 0.00 -0.26 0.00 0.00 60.65 60.25 2jwn s ILE 66 Cb -0.00 -0.47 0.01 0.00 1.25 0.00 0.00 42.46 43.25 2jwn s ILE 66 CO -0.07 -0.13 -0.17 -0.89 0.24 0.00 0.00 174.94 173.92 2jwn s THR 67 N -0.49 1.48 -0.11 8.37 2.01 0.81 -4.98 115.64 122.74 2jwn s THR 67 Ca -0.06 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 2jwn s THR 67 Cb -0.04 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.18 2jwn s THR 67 CO 0.02 0.43 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.67 2jwn s ILE 68 N 0.52 1.05 -0.06 1.82 1.09 -1.26 0.65 121.20 125.01 2jwn s ILE 68 Ca -0.16 -0.31 0.05 0.00 -1.10 0.00 0.00 60.65 59.14 2jwn s ILE 68 Cb -0.16 -1.06 -0.01 0.00 -1.06 0.00 0.00 42.46 40.17 2jwn s ILE 68 CO 0.06 0.37 -0.22 -1.48 -0.10 0.00 0.00 174.94 173.57 2jwn s LEU 69 N 1.66 2.01 -0.14 2.97 2.34 -0.10 -4.99 118.68 122.42 2jwn s LEU 69 Ca 0.04 -0.46 0.01 0.00 0.06 0.00 0.00 54.13 53.78 2jwn s LEU 69 Cb -0.13 -1.24 -0.00 0.00 -0.56 0.00 0.00 46.19 44.26 2jwn s LEU 69 CO -0.08 0.20 -0.17 0.00 -1.06 0.00 0.00 176.35 175.24 2jwn s ASP 71 N 0.66 4.27 -0.02 0.00 -1.08 0.12 -4.90 116.67 115.72 2jwn s ASP 71 Ca -0.09 -0.26 0.04 0.00 -0.52 0.00 0.00 52.55 51.72 2jwn s ASP 71 Cb -0.16 -1.66 0.05 0.00 -1.46 0.00 0.00 42.92 39.69 2jwn s ASP 71 CO 0.02 0.17 0.88 1.17 0.52 0.00 0.00 175.17 177.93 2jwn n LYS 72 N 3.51 1.34 0.32 4.34 4.81 -1.26 0.55 118.16 131.77 2jwn n LYS 72 Ca -0.18 -1.33 0.21 0.00 -0.87 0.00 0.00 58.31 56.14 2jwn n LYS 72 Cb 0.53 -0.87 1.04 0.00 0.02 0.00 0.00 35.03 35.75 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 -0.58 5.64 -5.15 -1.94 0.33 116.94 115.23 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 0.88 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.05 2jwn h PHE 73 CO 0.02 0.01 0.00 0.43 -2.00 0.00 0.00 178.31 176.76 2jwn n SER 74 N -3.15 3.20 0.00 -0.68 7.64 -1.26 -4.96 113.62 114.41 2jwn n SER 74 Ca -0.02 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.87 2jwn n SER 74 Cb 0.14 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.45 2.98 3.77 0.23 0.00 0.10 -5.03 105.19 108.70 2jwn n GLY 75 Ca 0.20 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 3.55 -0.25 1.61 3.76 -1.26 -4.97 115.29 117.73 2jwn s HIS 76 Ca 0.00 0.73 -0.29 0.00 -0.15 0.00 0.00 55.06 55.35 2jwn s HIS 76 Cb 0.00 -2.33 -0.00 0.00 1.11 0.00 0.00 32.58 31.36 2jwn s HIS 76 CO 0.00 0.37 1.22 -1.25 -0.85 0.00 0.00 174.74 174.23 2jwn s PRO 77 N -0.01 4.09 -0.11 8.40 0.05 -1.26 -4.41 135.00 141.74 2jwn s PRO 77 Ca 0.20 1.38 -0.06 0.00 0.05 0.00 0.00 61.00 62.56 2jwn s PRO 77 Cb -0.14 -3.79 -0.04 0.00 0.05 0.00 0.00 34.50 30.58 2jwn s PRO 77 CO 0.07 -0.88 0.14 0.15 0.05 0.00 0.00 177.00 176.53 2jwn s LYS 78 N 3.74 3.42 0.06 4.56 -0.14 0.19 -4.62 119.74 126.95 2jwn s LYS 78 Ca 0.52 -0.16 0.05 0.00 -1.36 0.00 0.00 55.97 55.03 2jwn s LYS 78 Cb -0.17 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.78 2jwn s LYS 78 CO 0.17 0.77 -0.15 0.20 -0.76 0.00 0.00 175.35 175.58 2jwn s GLY 79 N -1.10 0.88 -0.09 -3.33 0.00 0.00 0.11 107.32 103.79 2jwn s GLY 79 Ca 0.16 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 2jwn s GLY 79 CO 0.05 -0.94 0.34 -2.52 0.00 0.00 0.00 173.10 170.03 2jwn s TYR 80 N -1.05 -0.32 0.06 1.90 -0.85 -0.63 -1.58 117.35 114.88 2jwn s TYR 80 Ca 0.01 0.72 0.04 0.00 -0.52 0.00 0.00 57.07 57.31 2jwn s TYR 80 Cb -0.09 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.35 2jwn s TYR 80 CO 0.02 -0.26 -0.12 0.00 -1.52 0.00 0.00 175.55 173.67 2jwn s ALA 81 N -0.34 0.94 -0.19 9.51 0.00 0.10 -0.93 121.76 130.86 2jwn s ALA 81 Ca -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2jwn s ALA 81 Cb -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.08 2jwn s ALA 81 CO 0.02 0.09 -0.17 0.71 0.00 0.00 0.00 175.76 176.41 2jwn s TYR 82 N -1.36 2.78 -0.22 0.00 2.02 0.21 0.78 117.35 121.56 2jwn s TYR 82 Ca -0.05 -1.73 -0.11 0.00 -0.37 0.00 0.00 57.07 54.81 2jwn s TYR 82 Cb -0.10 -1.86 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 2jwn s TYR 82 CO 0.01 -0.80 0.16 0.42 -1.57 0.00 0.00 175.55 173.77 2jwn s ILE 83 N 1.28 5.38 -0.18 2.71 -1.09 -0.69 -0.13 121.20 128.48 2jwn s ILE 83 Ca 0.02 0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.63 2jwn s ILE 83 Cb -0.15 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2jwn s ILE 83 CO -0.11 0.39 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.29 2jwn s GLU 84 N 0.72 3.37 0.38 2.79 2.02 0.11 -0.26 118.70 127.83 2jwn s GLU 84 Ca 0.08 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 54.47 2jwn s GLU 84 Cb -0.12 -2.83 -0.00 0.00 0.10 0.00 0.00 34.13 31.27 2jwn s GLU 84 CO 0.02 -0.02 0.54 -0.06 0.02 0.00 0.00 175.26 175.75 2jwn s PHE 85 N 0.98 3.10 0.14 1.61 0.08 0.09 0.29 117.98 124.27 2jwn s PHE 85 Ca -0.01 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.92 2jwn s PHE 85 Cb -0.15 -2.13 -0.09 0.00 -0.57 0.00 0.00 43.02 40.09 2jwn s PHE 85 CO -0.01 -0.16 1.31 0.00 -0.10 0.00 0.00 175.22 176.27 2jwn h ALA 86 N 0.73 0.40 -2.11 5.36 0.00 -1.19 -3.40 119.26 119.05 2jwn h ALA 86 Ca -0.45 -0.76 -0.59 0.00 0.00 0.00 0.00 54.91 53.10 2jwn h ALA 86 Cb 1.26 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 2jwn h ALA 86 CO 0.53 0.93 -0.72 -1.21 0.00 0.00 0.00 179.25 178.78 2jwn s GLU 87 N -3.08 1.69 0.31 0.00 2.02 -1.26 -4.99 118.70 113.39 2jwn s GLU 87 Ca -0.03 -1.81 0.05 0.00 0.02 0.00 0.00 54.97 53.19 2jwn s GLU 87 Cb 0.09 -1.64 0.52 0.00 0.10 0.00 0.00 34.13 33.21 2jwn s GLU 87 CO 0.84 0.23 1.78 0.00 0.02 0.00 0.00 175.26 178.14 2jwn h ARG 88 N 2.21 0.40 0.00 1.61 2.47 -1.91 -2.92 114.38 116.24 2jwn h ARG 88 Ca -0.41 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.12 2jwn h ARG 88 Cb 1.25 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 2jwn h ARG 88 CO 0.64 0.59 -0.32 -0.91 0.56 0.00 0.00 179.97 180.54 2jwn h ASN 89 N 0.36 0.00 -0.25 7.04 4.21 -1.95 -0.73 115.58 124.26 2jwn h ASN 89 Ca 0.06 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.43 2jwn h ASN 89 Cb 0.57 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.77 2jwn h ASN 89 CO 0.04 0.32 -0.41 0.28 -1.29 0.00 0.00 177.43 176.37 2jwn h SER 90 N 0.00 0.79 -0.48 5.81 0.02 -1.65 -1.38 113.55 116.65 2jwn h SER 90 Ca -0.00 -0.53 -0.12 0.00 -0.84 0.00 0.00 61.79 60.30 2jwn h SER 90 Cb 0.59 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2jwn h SER 90 CO 0.04 1.16 -0.17 1.62 -1.14 0.00 0.00 176.83 178.35 2jwn h VAL 91 N 0.44 1.27 -0.65 2.27 3.04 -1.47 -0.88 116.25 120.26 2jwn h VAL 91 Ca 0.02 -1.32 -0.02 0.00 -1.01 0.00 0.00 66.70 64.37 2jwn h VAL 91 Cb 1.01 1.06 -0.03 0.00 -2.01 0.00 0.00 31.29 31.31 2jwn h VAL 91 CO 0.09 0.46 0.33 -0.78 -1.01 0.00 0.00 177.57 176.66 2jwn h ASP 92 N 0.86 0.82 0.61 3.17 1.82 -1.07 0.17 116.42 122.80 2jwn h ASP 92 Ca 0.12 -0.08 -0.16 0.00 -0.39 0.00 0.00 57.03 56.52 2jwn h ASP 92 Cb 0.73 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 2jwn h ASP 92 CO 0.06 0.68 -0.74 0.00 -1.61 0.00 0.00 179.24 177.63 2jwn h ALA 93 N 1.45 0.74 -0.00 -0.78 0.00 -1.06 -3.25 119.26 116.36 2jwn h ALA 93 Ca 0.23 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 2jwn h ALA 93 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jwn h ALA 93 CO -0.03 0.87 -0.55 0.00 0.00 0.00 0.00 179.25 179.54 2jwn h ALA 94 N 1.18 0.07 -0.06 0.00 0.00 0.11 -3.15 119.26 117.41 2jwn h ALA 94 Ca -0.02 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.36 2jwn h ALA 94 Cb 1.30 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jwn h ALA 94 CO 0.10 0.31 0.13 -0.39 0.00 0.00 0.00 179.25 179.40 2jwn h VAL 95 N -0.17 0.22 0.00 0.00 -1.51 -0.83 0.11 116.25 114.07 2jwn h VAL 95 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2jwn h VAL 95 Cb 1.27 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2jwn h VAL 95 CO 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.45 2jwn n ALA 96 N -2.16 1.68 -0.37 5.19 0.00 -1.19 -1.58 120.51 122.08 2jwn n ALA 96 Ca -0.01 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.52 2jwn n ALA 96 Cb 0.21 -1.29 0.29 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.75 2.90 -0.31 0.00 2.81 0.39 -4.72 117.12 116.43 2jwn n MET 97 Ca 0.03 -2.57 0.08 0.00 -1.81 0.00 0.00 57.70 53.43 2jwn n MET 97 Cb 0.19 -1.55 0.18 0.00 -0.71 0.00 0.00 33.22 31.33 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jwn n ASP 98 N 1.31 -0.24 -4.10 7.83 5.75 -0.61 -2.96 116.55 123.53 2jwn n ASP 98 Ca 0.22 1.52 -0.35 0.00 -0.01 0.00 0.00 54.79 56.17 2jwn n ASP 98 Cb 0.62 -0.49 -0.12 0.00 -1.03 0.00 0.00 41.12 40.09 2jwn n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jwn s GLU 99 N -6.02 1.88 0.17 0.11 2.12 -1.26 -1.96 118.70 113.74 2jwn s GLU 99 Ca -0.13 -1.84 -0.00 0.00 0.36 0.00 0.00 54.97 53.36 2jwn s GLU 99 Cb 0.25 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2jwn s GLU 99 CO 0.69 -1.04 0.08 0.95 -0.54 0.00 0.00 175.26 175.39 2jwn s THR 100 N 1.07 0.18 -0.35 -1.70 -4.23 -1.15 -5.01 115.64 104.45 2jwn s THR 100 Ca 0.09 -1.95 -0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2jwn s THR 100 Cb -0.22 -2.24 0.08 0.00 1.34 0.00 0.00 72.50 71.46 2jwn s THR 100 CO -0.05 -0.29 0.09 0.54 -0.54 0.00 0.00 174.62 174.37 2jwn s VAL 101 N -4.01 3.15 -0.17 2.29 0.11 -1.26 -0.69 120.40 119.81 2jwn s VAL 101 Ca 0.30 -1.67 -0.01 0.00 -2.93 0.00 0.00 61.98 57.66 2jwn s VAL 101 Cb 0.07 -2.97 -0.01 0.00 -1.53 0.00 0.00 36.38 31.94 2jwn s VAL 101 CO 0.06 -0.37 -0.10 0.12 -3.33 0.00 0.00 175.10 171.48 2jwn s PHE 102 N 1.21 2.87 -1.34 1.54 5.36 0.83 -4.59 117.98 123.86 2jwn s PHE 102 Ca 0.01 -0.88 -0.03 0.00 -0.96 0.00 0.00 56.93 55.08 2jwn s PHE 102 Cb -0.21 -1.95 0.02 0.00 -0.34 0.00 0.00 43.02 40.53 2jwn s PHE 102 CO -0.02 -0.41 0.78 -2.13 -1.46 0.00 0.00 175.22 171.98 2jwn n ARG 103 N 4.15 -5.24 -0.94 10.12 0.63 -1.26 -1.74 116.66 122.38 2jwn n ARG 103 Ca -0.18 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2jwn n ARG 103 Cb 0.52 -5.30 0.00 0.00 0.45 0.00 0.00 32.46 28.13 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 -1.58 0.26 3.11 5.14 0.00 -1.26 -4.98 105.19 105.87 2jwn n GLY 104 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.03 0.79 -0.20 1.61 1.70 -0.71 -5.09 118.95 116.03 2jwn s ARG 105 Ca 0.00 -0.69 -0.29 0.00 -0.47 0.00 0.00 55.73 54.28 2jwn s ARG 105 Cb 0.00 -0.75 -0.00 0.00 -0.57 0.00 0.00 34.95 33.63 2jwn s ARG 105 CO 0.00 0.18 1.14 0.99 -1.08 0.00 0.00 175.30 176.54 2jwn s THR 106 N -0.86 4.49 0.44 4.99 2.01 -1.26 -0.12 115.64 125.33 2jwn s THR 106 Ca -0.01 1.80 0.08 0.00 0.31 0.00 0.00 61.69 63.88 2jwn s THR 106 Cb -0.08 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2jwn s THR 106 CO 0.01 -0.15 0.53 0.27 -0.69 0.00 0.00 174.62 174.58 2jwn s ILE 107 N 3.30 2.75 -0.04 1.82 -4.36 0.13 -4.82 121.20 119.99 2jwn s ILE 107 Ca 0.49 -1.13 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 2jwn s ILE 107 Cb -0.18 -2.88 0.02 0.00 1.25 0.00 0.00 42.46 40.67 2jwn s ILE 107 CO 0.10 0.00 -0.04 -0.75 0.24 0.00 0.00 174.94 174.49 2jwn s LYS 108 N -4.31 0.76 -0.11 0.37 2.47 -1.11 -3.49 119.74 114.32 2jwn s LYS 108 Ca 0.53 -0.10 0.03 0.00 -1.56 0.00 0.00 55.97 54.86 2jwn s LYS 108 Cb -0.07 -0.77 0.01 0.00 -1.46 0.00 0.00 37.83 35.53 2jwn s LYS 108 CO 0.32 -0.06 -0.22 0.08 0.16 0.00 0.00 175.35 175.63 2jwn s VAL 109 N 0.80 1.94 0.15 4.02 1.01 -0.83 0.13 120.40 127.63 2jwn s VAL 109 Ca -0.10 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 60.98 2jwn s VAL 109 Cb -0.13 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2jwn s VAL 109 CO 0.00 0.53 -0.08 -0.76 0.00 0.00 0.00 175.10 174.79 2jwn s LEU 110 N 0.59 2.46 0.27 3.92 1.43 0.34 -4.36 118.68 123.33 2jwn s LEU 110 Ca -0.13 -1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 51.63 2jwn s LEU 110 Cb -0.17 -0.30 -0.09 0.00 0.03 0.00 0.00 46.19 45.66 2jwn s LEU 110 CO 0.04 -0.38 1.00 -2.84 0.23 0.00 0.00 176.35 174.40 2jwn s PRO 111 N -3.78 4.71 -0.37 1.29 0.02 -1.26 0.10 135.00 135.72 2jwn s PRO 111 Ca 0.18 1.59 -0.09 0.00 0.02 0.00 0.00 61.00 62.71 2jwn s PRO 111 Cb 0.03 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.43 2jwn s PRO 111 CO 0.01 0.35 0.17 0.21 -0.33 0.00 0.00 177.00 177.41 2jwn s LYS 112 N -1.43 2.69 -0.28 5.54 2.20 0.59 -4.67 119.74 124.38 2jwn s LYS 112 Ca 0.44 -1.19 -0.23 0.00 -0.36 0.00 0.00 55.97 54.64 2jwn s LYS 112 Cb -0.27 -3.62 0.08 0.00 -1.51 0.00 0.00 37.83 32.51 2jwn s LYS 112 CO 0.34 -0.73 0.78 -0.98 -0.36 0.00 0.00 175.35 174.41 2jwn s ARG 113 N 1.47 0.73 -1.07 4.03 1.04 -1.26 -3.93 118.95 119.96 2jwn s ARG 113 Ca 0.01 0.96 -0.15 0.00 -1.04 0.00 0.00 55.73 55.51 2jwn s ARG 113 Cb -0.20 0.31 0.18 0.00 -2.04 0.00 0.00 34.95 33.20 2jwn s ARG 113 CO 0.04 -0.10 1.24 0.99 -0.04 0.00 0.00 175.30 177.43 2jwn s THR 114 N 0.66 5.11 0.02 4.99 2.01 -1.26 -4.97 115.64 122.20 2jwn s THR 114 Ca -0.02 -2.38 0.06 0.00 0.31 0.00 0.00 61.69 59.66 2jwn s THR 114 Cb -0.05 -4.79 -0.02 0.00 0.01 0.00 0.00 72.50 67.65 2jwn s THR 114 CO -0.05 -1.48 -0.19 0.21 -0.69 0.00 0.00 174.62 172.41 2jwn s ASN 115 N 2.84 2.28 0.23 3.53 3.84 -1.26 -4.97 114.94 121.42 2jwn s ASN 115 Ca 0.36 -0.44 0.00 0.00 0.21 0.00 0.00 52.86 52.99 2jwn s ASN 115 Cb -0.05 -0.21 0.00 0.00 -0.55 0.00 0.00 41.25 40.44 2jwn s ASN 115 CO -0.05 0.18 0.00 0.80 -2.79 0.00 0.00 177.10 175.24 2jwn n MET 116 N 2.17 -2.33 -1.56 0.43 1.56 -1.26 -4.74 117.12 111.38 2jwn n MET 116 Ca -0.16 1.71 -0.41 0.00 -0.27 0.00 0.00 57.70 58.56 2jwn n MET 116 Cb 0.54 -1.91 -0.04 0.00 2.15 0.00 0.00 33.22 33.96 2jwn n MET 116 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 2jwn n PRO 117 N -0.56 1.50 -0.40 2.12 -0.02 -1.26 -4.60 135.00 131.78 2jwn n PRO 117 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2jwn n PRO 117 Cb 0.00 -3.18 0.00 0.00 -0.02 0.00 0.00 33.50 30.30 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 5.96 0.90 3.77 -1.23 0.00 -1.26 -5.10 105.19 108.22 2jwn n GLY 118 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 5.07 -0.88 -0.61 2.07 -1.26 -5.01 121.20 120.57 2jwn s ILE 119 Ca 0.00 0.97 -0.17 0.00 -1.41 0.00 0.00 60.65 60.05 2jwn s ILE 119 Cb 0.00 -3.81 0.17 0.00 0.13 0.00 0.00 42.46 38.95 2jwn s ILE 119 CO 0.00 0.43 0.97 -0.55 -1.91 0.00 0.00 174.94 173.88 2jwn s SER 120 N -0.09 6.69 0.00 4.50 0.15 -1.26 -4.57 113.70 119.11 2jwn s SER 120 Ca 0.26 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.59 2jwn s SER 120 Cb -0.16 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2jwn s SER 120 CO 0.13 -0.85 0.00 -1.20 1.20 0.00 0.00 173.24 172.51 2jwn n SER 121 N 5.44 0.00 0.00 5.45 7.64 -1.26 -5.03 113.62 125.86 2jwn n SER 121 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2jwn n SER 121 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2jwn n SER 121 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2jwn n THR 122 N -0.56 0.00 -0.42 0.44 5.66 -1.26 -5.12 114.28 113.01 2jwn n THR 122 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jwn n THR 122 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2jwn n THR 122 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2jwn n ASP 123 N 0.00 -2.82 0.00 1.09 2.03 -1.26 -5.21 116.55 110.38 2jwn n ASP 123 Ca 0.00 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.68 2jwn n ASP 123 Cb 0.00 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 2jwn n ASP 123 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14