#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 4.35 -0.24 0.00 -5.25 -1.26 -5.02 121.20 113.78 2jwn s ILE 2 Ca 0.00 1.95 -0.27 0.00 -0.99 0.00 0.00 60.65 61.35 2jwn s ILE 2 Cb 0.00 -4.26 0.00 0.00 2.95 0.00 0.00 42.46 41.15 2jwn s ILE 2 CO 0.00 0.43 0.93 0.00 -1.79 0.00 0.00 174.94 174.51 2jwn s ALA 3 N -0.66 3.66 -0.27 2.27 0.00 -1.26 -4.97 121.76 120.54 2jwn s ALA 3 Ca 0.42 0.00 -0.39 0.00 0.00 0.00 0.00 51.96 51.99 2jwn s ALA 3 Cb -0.24 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.33 2jwn s ALA 3 CO 0.29 -0.99 1.85 -0.35 0.00 0.00 0.00 175.76 176.56 2jwn n PRO 4 N 6.16 1.27 -3.65 0.00 -0.04 -1.26 -4.94 135.00 132.54 2jwn n PRO 4 Ca 0.08 0.45 -0.15 0.00 -0.04 0.00 0.00 63.50 63.84 2jwn n PRO 4 Cb 0.47 -2.23 -0.08 0.00 -0.04 0.00 0.00 33.50 31.62 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 -1.02 0.24 -0.10 0.00 1.75 -1.26 -5.15 119.30 113.77 2jwn s MET 6 Ca -0.10 0.27 -0.10 0.00 -1.25 0.00 0.00 55.69 54.50 2jwn s MET 6 Cb -0.03 0.12 -0.05 0.00 2.84 0.00 0.00 34.83 37.71 2jwn s MET 6 CO 0.06 -0.03 0.22 -0.65 -0.65 0.00 0.00 175.02 173.97 2jwn s GLN 7 N 0.07 3.70 -0.75 4.11 -0.21 -1.26 -5.03 119.66 120.29 2jwn s GLN 7 Ca -0.00 0.01 -0.21 0.00 0.02 0.00 0.00 55.36 55.18 2jwn s GLN 7 Cb -0.02 -3.24 0.09 0.00 1.00 0.00 0.00 33.01 30.85 2jwn s GLN 7 CO 0.00 0.66 1.01 0.95 -2.12 0.00 0.00 175.29 175.79 2jwn s THR 8 N -0.77 4.50 -0.56 -0.19 -4.23 -1.26 -4.98 115.64 108.16 2jwn s THR 8 Ca 0.17 -0.84 -0.19 0.00 -1.18 0.00 0.00 61.69 59.65 2jwn s THR 8 Cb -0.13 -4.71 0.09 0.00 1.34 0.00 0.00 72.50 69.09 2jwn s THR 8 CO 0.06 -1.46 0.65 -0.89 -0.54 0.00 0.00 174.62 172.44 2jwn s THR 9 N 3.50 4.89 -0.62 3.99 2.01 -1.26 -5.00 115.64 123.15 2jwn s THR 9 Ca 0.25 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 2jwn s THR 9 Cb -0.13 -4.40 0.16 0.00 0.01 0.00 0.00 72.50 68.14 2jwn s THR 9 CO 0.03 -0.98 0.44 -1.38 -0.69 0.00 0.00 174.62 172.04 2jwn s HIS 10 N 2.52 3.46 -0.16 4.92 -3.43 -1.26 -5.04 115.29 116.30 2jwn s HIS 10 Ca 0.11 -2.59 -0.08 0.00 -0.80 0.00 0.00 55.06 51.70 2jwn s HIS 10 Cb -0.23 -3.27 -0.04 0.00 -1.43 0.00 0.00 32.58 27.60 2jwn s HIS 10 CO 0.08 -0.87 0.12 -1.54 -2.00 0.00 0.00 174.74 170.52 2jwn s SER 11 N 1.00 6.17 -0.06 7.38 1.04 -1.26 -5.09 113.70 122.88 2jwn s SER 11 Ca 0.16 0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.85 2jwn s SER 11 Cb -0.20 -2.04 0.03 0.00 0.10 0.00 0.00 66.02 63.91 2jwn s SER 11 CO -0.04 0.27 0.14 -0.75 0.98 0.00 0.00 173.24 173.84 2jwn s LYS 12 N -0.21 0.10 -0.17 4.02 2.36 -1.26 -5.09 119.74 119.49 2jwn s LYS 12 Ca 0.10 0.31 -0.29 0.00 -2.55 0.00 0.00 55.97 53.55 2jwn s LYS 12 Cb -0.12 -0.12 -0.05 0.00 -1.05 0.00 0.00 37.83 36.50 2jwn s LYS 12 CO 0.01 -0.13 2.04 -1.64 1.55 0.00 0.00 175.35 177.18 2jwn s MET 13 N 0.88 3.49 0.00 4.03 -1.94 -1.26 -4.93 119.30 119.57 2jwn s MET 13 Ca -0.07 2.07 0.00 0.00 -1.71 0.00 0.00 55.69 55.98 2jwn s MET 13 Cb -0.09 -4.26 0.00 0.00 2.01 0.00 0.00 34.83 32.49 2jwn s MET 13 CO -0.04 -1.69 0.23 2.41 -0.01 0.00 0.00 175.02 175.92 2jwn n THR 14 N 6.99 0.00 -2.89 2.05 -1.04 -0.90 -5.04 114.28 113.47 2jwn n THR 14 Ca 0.25 0.47 -0.01 0.00 -2.04 0.00 0.00 64.05 62.72 2jwn n THR 14 Cb 0.44 -0.94 -0.01 0.00 -1.82 0.00 0.00 70.33 68.01 2jwn n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwn n ALA 15 N -0.64 -2.83 -2.81 2.41 0.00 -1.09 -4.99 120.51 110.55 2jwn n ALA 15 Ca 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 2jwn n ALA 15 Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 2jwn n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jwn s GLY 16 N -1.16 0.34 -0.05 0.00 0.00 -1.26 -4.89 107.32 100.31 2jwn s GLY 16 Ca -0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 2jwn s GLY 16 CO 0.47 -0.73 0.03 0.00 0.00 0.00 0.00 173.10 172.88 2jwn n ALA 17 N -0.23 -3.05 0.07 3.20 0.00 -1.26 -4.84 120.51 114.40 2jwn n ALA 17 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jwn n ALA 17 Cb 0.63 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2jwn n ALA 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jwn n TYR 18 N -0.11 -0.56 -1.83 0.00 4.02 -1.26 -4.98 117.16 112.44 2jwn n TYR 18 Ca 0.01 0.10 -0.41 0.00 -0.01 0.00 0.00 57.90 57.59 2jwn n TYR 18 Cb 0.03 0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 2jwn n TYR 18 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jwn s THR 19 N -2.00 3.25 -0.45 -0.72 2.01 -1.26 -3.72 115.64 112.75 2jwn s THR 19 Ca 0.00 0.23 0.10 0.00 0.31 0.00 0.00 61.69 62.33 2jwn s THR 19 Cb 0.00 -3.43 0.28 0.00 0.01 0.00 0.00 72.50 69.37 2jwn s THR 19 CO 0.00 -0.33 1.22 -0.62 -0.69 0.00 0.00 174.62 174.21 2jwn n GLU 20 N 8.75 2.74 0.00 4.92 1.02 -1.26 -5.04 120.64 131.77 2jwn n GLU 20 Ca 0.27 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 2jwn n GLU 20 Cb 0.49 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2jwn n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jwn n GLY 21 N -0.17 1.59 0.29 0.62 0.00 -1.26 -3.98 105.19 102.29 2jwn n GLY 21 Ca 0.12 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.33 -6.88 1.61 0.11 -2.02 -3.40 132.00 121.09 2jwn h PRO 22 Ca 0.00 0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.62 2jwn h PRO 22 Cb 0.00 0.07 0.05 0.00 0.11 0.00 0.00 31.00 31.24 2jwn h PRO 22 CO 0.00 -0.22 0.58 -1.25 -0.21 0.00 0.00 178.00 176.90 2jwn s PRO 23 N -6.05 4.32 0.44 1.05 0.04 -1.26 -5.02 135.00 128.53 2jwn s PRO 23 Ca -0.15 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 62.82 2jwn s PRO 23 Cb 0.11 -3.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.58 2jwn s PRO 23 CO 0.67 -0.16 0.84 1.14 0.04 0.00 0.00 177.00 179.53 2jwn s GLN 24 N -1.85 3.84 0.16 4.56 0.00 -1.26 -4.06 119.66 121.05 2jwn s GLN 24 Ca 0.50 0.64 -0.33 0.00 -0.00 0.00 0.00 55.36 56.18 2jwn s GLN 24 Cb -0.36 -2.30 -0.12 0.00 0.00 0.00 0.00 33.01 30.22 2jwn s GLN 24 CO 0.48 -0.11 1.70 -0.35 0.00 0.00 0.00 175.29 177.01 2jwn n PRO 25 N -1.37 2.51 -1.20 9.60 -0.04 -1.24 -4.91 135.00 138.34 2jwn n PRO 25 Ca 0.04 0.91 -0.30 0.00 -0.04 0.00 0.00 63.50 64.11 2jwn n PRO 25 Cb 0.54 -2.74 0.23 0.00 -0.04 0.00 0.00 33.50 31.50 2jwn n PRO 25 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2jwn s LEU 26 N 1.56 0.97 0.46 1.53 -0.00 -1.26 -4.95 118.68 116.99 2jwn s LEU 26 Ca 0.79 0.55 -0.24 0.00 -0.00 0.00 0.00 54.13 55.23 2jwn s LEU 26 Cb -0.58 -2.31 -0.07 0.00 -0.00 0.00 0.00 46.19 43.23 2jwn s LEU 26 CO 0.36 -3.96 1.31 -0.44 -0.00 0.00 0.00 176.35 173.62 2jwn s SER 27 N -4.06 5.93 0.20 1.48 0.01 -1.26 -4.85 113.70 111.15 2jwn s SER 27 Ca 0.72 2.65 -0.11 0.00 1.31 0.00 0.00 55.95 60.52 2jwn s SER 27 Cb -0.08 -2.63 0.24 0.00 0.21 0.00 0.00 66.02 63.76 2jwn s SER 27 CO 0.56 -1.11 1.73 0.00 0.41 0.00 0.00 173.24 174.82 2jwn h ALA 28 N 2.16 0.68 -0.07 1.44 0.00 -1.97 -1.07 119.26 120.43 2jwn h ALA 28 Ca -0.50 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2jwn h ALA 28 Cb 1.26 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2jwn h ALA 28 CO 0.60 -0.25 -0.33 0.93 0.00 0.00 0.00 179.25 180.20 2jwn h GLU 29 N 0.32 0.13 -0.56 0.00 3.07 -1.98 -0.07 114.58 115.49 2jwn h GLU 29 Ca 0.28 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 2jwn h GLU 29 Cb 0.37 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2jwn h GLU 29 CO -0.32 0.45 0.02 0.93 -1.40 0.00 0.00 179.01 178.68 2jwn h GLU 30 N 0.11 0.94 -0.21 2.33 3.07 -1.73 -1.76 114.58 117.32 2jwn h GLU 30 Ca 0.01 -0.27 -0.13 0.00 -0.50 0.00 0.00 59.36 58.48 2jwn h GLU 30 Cb 0.65 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2jwn h GLU 30 CO 0.05 0.92 -0.42 0.87 -1.40 0.00 0.00 179.01 179.03 2jwn h LYS 31 N 0.87 0.50 -0.50 2.33 1.57 -0.36 -2.61 116.57 118.37 2jwn h LYS 31 Ca 0.17 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 2jwn h LYS 31 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2jwn h LYS 31 CO 0.02 0.83 -0.17 0.87 -0.57 0.00 0.00 179.45 180.43 2jwn h LYS 32 N 0.41 1.00 -0.29 3.15 1.57 -0.73 0.08 116.57 121.77 2jwn h LYS 32 Ca 0.03 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 58.25 2jwn h LYS 32 Cb 0.91 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 2jwn h LYS 32 CO 0.08 1.08 -0.48 0.93 -0.57 0.00 0.00 179.45 180.49 2jwn h GLU 33 N 0.87 0.78 -0.11 3.15 4.39 -1.25 -2.59 114.58 119.82 2jwn h GLU 33 Ca 0.12 -0.46 -0.14 0.00 0.34 0.00 0.00 59.36 59.23 2jwn h GLU 33 Cb 0.74 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2jwn h GLU 33 CO 0.06 1.08 -0.52 -0.84 -1.16 0.00 0.00 179.01 177.63 2jwn h ILE 34 N 0.62 1.35 -0.64 3.13 3.07 -1.45 -3.00 117.51 120.59 2jwn h ILE 34 Ca 0.03 -1.79 0.07 0.00 1.55 0.00 0.00 64.86 64.72 2jwn h ILE 34 Cb 1.06 1.84 -0.06 0.00 -0.27 0.00 0.00 36.82 39.39 2jwn h ILE 34 CO 0.10 0.54 0.33 -0.78 -1.05 0.00 0.00 178.15 177.29 2jwn h ASP 35 N 0.24 0.46 -0.43 2.16 3.58 -0.81 -2.15 116.42 119.47 2jwn h ASP 35 Ca 0.01 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.62 2jwn h ASP 35 Cb 1.00 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 2jwn h ASP 35 CO 0.08 0.29 0.32 0.11 -2.88 0.00 0.00 179.24 177.16 2jwn h LYS 36 N 0.60 0.00 -0.01 0.28 1.57 -1.31 -1.85 116.57 115.84 2jwn h LYS 36 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2jwn h LYS 36 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2jwn h LYS 36 CO -0.21 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 181.56 2jwn n ARG 37 N -4.36 1.69 -3.66 3.15 1.85 -0.91 -4.91 116.66 109.50 2jwn n ARG 37 Ca 0.07 -2.38 -0.21 0.00 -1.00 0.00 0.00 57.85 54.33 2jwn n ARG 37 Cb 0.52 -1.42 -0.04 0.00 -1.05 0.00 0.00 32.46 30.47 2jwn n ARG 37 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jwn s SER 38 N -2.47 5.01 0.11 2.89 0.15 -0.70 -2.57 113.70 116.12 2jwn s SER 38 Ca 0.26 -0.74 -0.01 0.00 0.70 0.00 0.00 55.95 56.16 2jwn s SER 38 Cb 0.23 -0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 2jwn s SER 38 CO 0.03 -0.59 0.04 0.68 1.20 0.00 0.00 173.24 174.60 2jwn s VAL 39 N -2.46 0.14 -0.12 4.45 -7.23 0.42 -0.72 120.40 114.87 2jwn s VAL 39 Ca 0.46 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 2jwn s VAL 39 Cb -0.03 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 2jwn s VAL 39 CO 0.27 -0.62 -0.17 -0.47 -0.31 0.00 0.00 175.10 173.80 2jwn s TYR 40 N -4.01 2.72 -0.26 2.82 5.04 0.19 -0.82 117.35 123.03 2jwn s TYR 40 Ca 0.19 -0.81 -0.06 0.00 -2.44 0.00 0.00 57.07 53.95 2jwn s TYR 40 Cb 0.07 -1.80 -0.00 0.00 0.35 0.00 0.00 41.96 40.58 2jwn s TYR 40 CO -0.02 -0.30 0.04 0.08 -1.34 0.00 0.00 175.55 174.01 2jwn s VAL 41 N 0.38 3.83 0.32 3.14 1.01 0.29 -0.00 120.40 129.37 2jwn s VAL 41 Ca -0.13 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.41 2jwn s VAL 41 Cb -0.17 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 2jwn s VAL 41 CO 0.06 0.24 0.05 -0.83 0.00 0.00 0.00 175.10 174.62 2jwn s GLY 42 N 1.51 1.93 -0.57 4.51 0.00 0.12 -0.11 107.32 114.72 2jwn s GLY 42 Ca 0.04 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.91 2jwn s GLY 42 CO 0.01 -1.82 0.00 -2.01 0.00 0.00 0.00 173.10 169.28 2jwn n ASN 43 N -1.00 -5.37 -4.76 1.64 5.15 -1.03 -1.84 115.26 108.05 2jwn n ASN 43 Ca -0.04 0.13 -0.41 0.00 -0.60 0.00 0.00 54.58 53.66 2jwn n ASN 43 Cb 0.61 -3.34 -0.02 0.00 -0.53 0.00 0.00 39.78 36.50 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 -1.62 2.51 0.39 3.44 0.11 -0.79 -4.81 120.40 119.62 2jwn s VAL 44 Ca 0.00 0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 59.49 2jwn s VAL 44 Cb 0.00 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 2jwn s VAL 44 CO 0.00 0.09 0.65 -0.62 -3.33 0.00 0.00 175.10 171.89 2jwn s ASP 45 N -0.00 6.31 0.60 3.54 2.15 -1.26 -2.68 116.67 125.33 2jwn s ASP 45 Ca 0.55 0.69 0.40 0.00 0.43 0.00 0.00 52.55 54.63 2jwn s ASP 45 Cb -0.43 -2.14 2.14 0.00 -0.30 0.00 0.00 42.92 42.20 2jwn s ASP 45 CO 0.51 -0.39 2.23 1.88 -0.17 0.00 0.00 175.17 179.23 2jwn h TYR 46 N 0.71 0.00 0.00 -5.34 0.05 -1.94 0.35 116.97 110.80 2jwn h TYR 46 Ca -0.48 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.25 2jwn h TYR 46 Cb 1.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 2jwn h TYR 46 CO 0.55 0.00 -0.22 0.78 -1.05 0.00 0.00 178.16 178.22 2jwn h GLY 47 N 0.22 0.00 -4.35 3.88 0.00 -2.00 -3.43 103.07 97.40 2jwn h GLY 47 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2jwn h GLY 47 CO 0.00 0.00 0.09 -0.56 0.00 0.00 0.00 176.54 176.07 2jwn s SER 48 N -6.20 7.25 0.47 0.19 0.01 0.11 -5.07 113.70 110.46 2jwn s SER 48 Ca 0.00 1.48 0.07 0.00 1.31 0.00 0.00 55.95 58.81 2jwn s SER 48 Cb 0.11 -2.44 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 2jwn s SER 48 CO 0.63 0.24 0.36 0.42 0.41 0.00 0.00 173.24 175.30 2jwn s THR 49 N -1.13 2.22 0.08 1.44 -4.23 -1.26 -4.90 115.64 107.86 2jwn s THR 49 Ca 0.33 -1.46 -0.18 0.00 -1.18 0.00 0.00 61.69 59.20 2jwn s THR 49 Cb -0.22 -2.67 -0.08 0.00 1.34 0.00 0.00 72.50 70.87 2jwn s THR 49 CO 0.23 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.80 2jwn h ALA 50 N 0.99 0.36 -0.80 3.99 0.00 -1.98 -0.53 119.26 121.29 2jwn h ALA 50 Ca -0.40 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.29 2jwn h ALA 50 Cb 1.28 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2jwn h ALA 50 CO 0.59 0.15 0.51 0.37 0.00 0.00 0.00 179.25 180.87 2jwn h GLN 51 N 0.25 0.95 -0.58 0.00 4.15 -1.98 0.31 115.11 118.22 2jwn h GLN 51 Ca 0.07 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 2jwn h GLN 51 Cb 0.51 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 2jwn h GLN 51 CO 0.02 0.63 0.11 0.22 -1.93 0.00 0.00 178.83 177.88 2jwn h ASP 52 N 0.98 0.86 -0.10 -0.69 3.58 -1.90 0.40 116.42 119.56 2jwn h ASP 52 Ca 0.32 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 2jwn h ASP 52 Cb 0.03 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 2jwn h ASP 52 CO -0.12 0.86 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.98 2jwn h LEU 53 N 0.87 0.21 -0.02 2.28 3.38 -0.51 -2.61 115.31 118.92 2jwn h LEU 53 Ca 0.18 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2jwn h LEU 53 Cb 0.36 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jwn h LEU 53 CO 0.00 0.59 0.01 -0.08 0.09 0.00 0.00 178.44 179.06 2jwn h GLU 54 N -0.16 0.03 -1.00 1.13 4.81 -0.05 -1.44 114.58 117.90 2jwn h GLU 54 Ca 0.02 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2jwn h GLU 54 Cb 0.51 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 2jwn h GLU 54 CO 0.02 0.06 0.65 0.00 -0.73 0.00 0.00 179.01 179.00 2jwn h ALA 55 N 0.97 1.38 -0.39 2.92 0.00 -0.98 0.49 119.26 123.65 2jwn h ALA 55 Ca 0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2jwn h ALA 55 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2jwn h ALA 55 CO -0.00 0.46 -0.27 1.25 0.00 0.00 0.00 179.25 180.69 2jwn h HIS 56 N 1.19 1.02 0.00 0.00 -0.00 -1.09 -2.62 115.15 113.65 2jwn h HIS 56 Ca 0.43 -0.28 -0.07 0.00 -0.00 0.00 0.00 60.37 60.45 2jwn h HIS 56 Cb 0.14 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2jwn h HIS 56 CO -0.00 1.07 -0.53 0.74 -0.00 0.00 0.00 177.93 179.21 2jwn h PHE 57 N 0.68 0.00 0.00 5.26 0.04 -0.75 -3.29 116.94 118.89 2jwn h PHE 57 Ca 0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 2jwn h PHE 57 Cb 0.85 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 2jwn h PHE 57 CO 0.06 0.29 -0.07 0.77 -0.60 0.00 0.00 178.31 178.75 2jwn h SER 58 N 0.00 0.00 0.00 2.17 0.02 0.17 -2.72 113.55 113.19 2jwn h SER 58 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2jwn h SER 58 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2jwn h SER 58 CO 0.03 0.07 0.10 0.28 -1.14 0.00 0.00 176.83 176.18 2jwn h SER 59 N 0.00 0.00 0.00 3.07 0.02 -1.54 -3.22 113.55 111.88 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 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2jwn h SER 59 CO 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2jwn n GLY 61 N 2.20 5.39 3.49 0.00 0.00 -1.22 -4.96 105.19 110.10 2jwn n GLY 61 Ca 0.00 -1.32 -0.36 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 1.00 5.30 -0.07 1.61 0.01 -1.26 -4.52 113.70 115.77 2jwn s SER 62 Ca 0.00 -0.14 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 2jwn s SER 62 Cb 0.00 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 2jwn s SER 62 CO 0.00 -0.01 0.76 -0.63 0.41 0.00 0.00 173.24 173.78 2jwn s ILE 63 N 1.45 5.00 -0.20 1.44 1.01 -1.26 -0.64 121.20 127.99 2jwn s ILE 63 Ca 0.06 1.57 -0.11 0.00 0.00 0.00 0.00 60.65 62.17 2jwn s ILE 63 Cb -0.15 -4.10 -0.20 0.00 0.01 0.00 0.00 42.46 38.02 2jwn s ILE 63 CO 0.04 0.21 0.10 0.59 0.00 0.00 0.00 174.94 175.88 2jwn n ASN 64 N 3.96 1.99 -3.78 3.58 4.13 0.12 -4.86 115.26 120.41 2jwn n ASN 64 Ca 0.01 0.24 -0.09 0.00 1.68 0.00 0.00 54.58 56.41 2jwn n ASN 64 Cb 0.51 -0.81 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jwn s ARG 65 N -2.48 0.90 -0.08 3.52 0.52 -0.90 -5.01 118.95 115.41 2jwn s ARG 65 Ca -0.29 -0.85 -0.05 0.00 -0.52 0.00 0.00 55.73 54.01 2jwn s ARG 65 Cb 0.08 0.38 0.03 0.00 0.52 0.00 0.00 34.95 35.96 2jwn s ARG 65 CO 0.64 -0.31 0.20 0.96 0.02 0.00 0.00 175.30 176.81 2jwn s ILE 66 N -3.73 -0.02 -0.12 1.52 -4.36 -1.26 -0.11 121.20 113.12 2jwn s ILE 66 Ca 0.03 0.08 0.01 0.00 -0.26 0.00 0.00 60.65 60.52 2jwn s ILE 66 Cb 0.03 -0.30 0.02 0.00 1.25 0.00 0.00 42.46 43.46 2jwn s ILE 66 CO -0.11 0.03 -0.15 -0.89 0.24 0.00 0.00 174.94 174.06 2jwn s THR 67 N 0.67 1.55 -0.19 8.37 2.01 -0.39 -4.96 115.64 122.69 2jwn s THR 67 Ca -0.05 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.31 2jwn s THR 67 Cb -0.06 -1.42 0.03 0.00 0.01 0.00 0.00 72.50 71.06 2jwn s THR 67 CO -0.04 0.45 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.55 2jwn s ILE 68 N 1.13 1.95 -0.10 1.82 1.09 -1.26 0.12 121.20 125.95 2jwn s ILE 68 Ca -0.03 -1.04 0.04 0.00 -1.10 0.00 0.00 60.65 58.52 2jwn s ILE 68 Cb -0.14 -1.86 0.00 0.00 -1.06 0.00 0.00 42.46 39.40 2jwn s ILE 68 CO -0.04 0.37 -0.22 -1.48 -0.10 0.00 0.00 174.94 173.47 2jwn s LEU 69 N 1.30 2.02 -0.19 2.97 2.34 0.94 -4.98 118.68 123.09 2jwn s LEU 69 Ca 0.02 -0.52 -0.01 0.00 0.06 0.00 0.00 54.13 53.68 2jwn s LEU 69 Cb -0.15 -1.32 0.01 0.00 -0.56 0.00 0.00 46.19 44.17 2jwn s LEU 69 CO -0.11 0.14 -0.14 0.00 -1.06 0.00 0.00 176.35 175.18 2jwn s ASP 71 N 1.25 3.49 -0.10 0.00 -1.08 0.12 -4.87 116.67 115.48 2jwn s ASP 71 Ca 0.03 -0.51 0.14 0.00 -0.52 0.00 0.00 52.55 51.69 2jwn s ASP 71 Cb -0.14 -1.53 0.31 0.00 -1.46 0.00 0.00 42.92 40.11 2jwn s ASP 71 CO -0.07 0.09 1.22 1.17 0.52 0.00 0.00 175.17 178.10 2jwn n LYS 72 N 4.05 2.33 0.29 4.34 4.81 -1.26 0.74 118.16 133.46 2jwn n LYS 72 Ca -0.19 -2.39 0.16 0.00 -0.87 0.00 0.00 58.31 55.02 2jwn n LYS 72 Cb 0.52 -1.48 0.87 0.00 0.02 0.00 0.00 35.03 34.95 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 0.85 0.00 -0.00 5.64 -5.15 -1.94 0.62 116.94 116.95 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 1.01 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.18 2jwn h PHE 73 CO 0.19 0.06 -0.01 0.43 -2.00 0.00 0.00 178.31 176.98 2jwn n SER 74 N -3.47 0.25 0.00 -0.68 7.64 -1.26 -4.88 113.62 111.21 2jwn n SER 74 Ca -0.02 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2jwn n SER 74 Cb 0.18 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.07 3.11 3.73 0.23 0.00 0.21 -5.00 105.19 108.54 2jwn n GLY 75 Ca 0.22 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.90 3.48 -0.15 1.61 3.76 -1.26 -4.99 115.29 116.83 2jwn s HIS 76 Ca 0.00 0.67 -0.29 0.00 -0.15 0.00 0.00 55.06 55.29 2jwn s HIS 76 Cb 0.00 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 2jwn s HIS 76 CO 0.00 0.23 1.51 -1.25 -0.85 0.00 0.00 174.74 174.38 2jwn s PRO 77 N 0.47 4.06 0.11 8.40 0.04 -1.26 -4.24 135.00 142.58 2jwn s PRO 77 Ca 0.19 1.81 0.05 0.00 0.04 0.00 0.00 61.00 63.09 2jwn s PRO 77 Cb -0.13 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 2jwn s PRO 77 CO 0.05 -0.97 0.02 0.15 0.04 0.00 0.00 177.00 176.30 2jwn s LYS 78 N 4.09 2.58 -0.01 4.56 1.02 0.23 -4.91 119.74 127.30 2jwn s LYS 78 Ca 0.66 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.82 2jwn s LYS 78 Cb -0.26 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 2jwn s LYS 78 CO 0.25 0.52 -0.15 0.20 -0.92 0.00 0.00 175.35 175.25 2jwn s GLY 79 N -2.53 0.74 -0.10 -3.33 0.00 -1.09 0.14 107.32 101.15 2jwn s GLY 79 Ca 0.27 -0.65 -0.16 0.00 0.00 0.00 0.00 44.72 44.18 2jwn s GLY 79 CO 0.19 -0.54 0.40 -2.52 0.00 0.00 0.00 173.10 170.63 2jwn s TYR 80 N -0.36 -0.37 0.06 1.90 1.13 -0.16 -1.89 117.35 117.65 2jwn s TYR 80 Ca 0.06 0.82 0.01 0.00 -1.41 0.00 0.00 57.07 56.55 2jwn s TYR 80 Cb -0.06 0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.92 2jwn s TYR 80 CO -0.01 -0.30 -0.06 0.00 -2.51 0.00 0.00 175.55 172.67 2jwn s ALA 81 N -0.41 0.60 -0.16 9.51 0.00 0.84 -0.04 121.76 132.10 2jwn s ALA 81 Ca -0.05 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2jwn s ALA 81 Cb -0.03 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2jwn s ALA 81 CO 0.03 -0.17 -0.17 0.71 0.00 0.00 0.00 175.76 176.15 2jwn s TYR 82 N -2.53 2.44 -0.28 0.00 1.51 0.12 0.11 117.35 118.72 2jwn s TYR 82 Ca -0.01 -1.39 -0.10 0.00 -1.01 0.00 0.00 57.07 54.55 2jwn s TYR 82 Cb -0.02 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2jwn s TYR 82 CO -0.03 -0.72 0.16 0.42 -1.11 0.00 0.00 175.55 174.28 2jwn s ILE 83 N 1.34 5.03 -0.25 2.71 -1.09 -0.00 -1.26 121.20 127.67 2jwn s ILE 83 Ca 0.04 0.01 -0.08 0.00 -2.23 0.00 0.00 60.65 58.39 2jwn s ILE 83 Cb -0.13 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2jwn s ILE 83 CO -0.11 0.23 0.09 -1.61 -1.23 0.00 0.00 174.94 172.31 2jwn s GLU 84 N 1.71 3.72 0.34 2.79 2.02 0.85 -0.44 118.70 129.69 2jwn s GLU 84 Ca 0.07 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.68 2jwn s GLU 84 Cb -0.16 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 2jwn s GLU 84 CO 0.09 -0.17 0.46 -0.06 0.02 0.00 0.00 175.26 175.61 2jwn s PHE 85 N 1.58 3.09 0.08 1.61 0.08 -1.06 0.16 117.98 123.52 2jwn s PHE 85 Ca 0.06 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2jwn s PHE 85 Cb -0.15 -2.00 -0.24 0.00 -0.57 0.00 0.00 43.02 40.05 2jwn s PHE 85 CO 0.05 -0.02 1.14 0.00 -0.10 0.00 0.00 175.22 176.30 2jwn h ALA 86 N 0.90 0.28 -2.19 5.36 0.00 -1.14 -3.43 119.26 119.04 2jwn h ALA 86 Ca -0.45 -0.96 -0.53 0.00 0.00 0.00 0.00 54.91 52.97 2jwn h ALA 86 Cb 1.26 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 2jwn h ALA 86 CO 0.53 1.16 -0.74 -1.21 0.00 0.00 0.00 179.25 178.99 2jwn s GLU 87 N -2.67 1.52 0.28 0.00 2.02 -1.26 -5.02 118.70 113.56 2jwn s GLU 87 Ca -0.02 -1.70 0.06 0.00 0.02 0.00 0.00 54.97 53.33 2jwn s GLU 87 Cb 0.08 -1.42 0.41 0.00 0.10 0.00 0.00 34.13 33.31 2jwn s GLU 87 CO 0.85 0.23 1.67 0.00 0.02 0.00 0.00 175.26 178.03 2jwn h ARG 88 N 2.39 0.24 -0.63 1.61 2.47 -1.91 -3.16 114.38 115.39 2jwn h ARG 88 Ca -0.39 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2jwn h ARG 88 Cb 1.24 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.53 2jwn h ARG 88 CO 0.62 0.64 0.37 -0.91 0.56 0.00 0.00 179.97 181.26 2jwn h ASN 89 N 0.20 0.75 -0.38 7.04 4.21 -1.95 -1.03 115.58 124.41 2jwn h ASN 89 Ca 0.01 -0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 2jwn h ASN 89 Cb 0.87 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.87 2jwn h ASN 89 CO 0.07 0.59 0.15 0.28 -1.29 0.00 0.00 177.43 177.22 2jwn h SER 90 N 0.87 0.53 -0.44 5.81 0.02 -1.91 -1.67 113.55 116.76 2jwn h SER 90 Ca 0.23 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2jwn h SER 90 Cb -0.03 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2jwn h SER 90 CO -0.04 0.56 0.04 1.62 -1.14 0.00 0.00 176.83 177.86 2jwn h VAL 91 N 0.47 1.25 -0.53 2.27 3.04 -1.50 -0.57 116.25 120.69 2jwn h VAL 91 Ca 0.13 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2jwn h VAL 91 Cb 0.20 1.02 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 2jwn h VAL 91 CO -0.01 0.33 0.34 0.44 -1.01 0.00 0.00 177.57 177.66 2jwn h ASP 92 N 0.60 0.61 0.13 3.17 3.32 -1.04 0.15 116.42 123.37 2jwn h ASP 92 Ca 0.13 -0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.92 2jwn h ASP 92 Cb 0.44 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.84 2jwn h ASP 92 CO 0.02 0.45 -0.94 0.00 -1.72 0.00 0.00 179.24 177.05 2jwn h ALA 93 N 1.66 0.29 -0.38 3.45 0.00 -1.17 -3.34 119.26 119.77 2jwn h ALA 93 Ca 0.19 -0.68 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2jwn h ALA 93 Cb -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jwn h ALA 93 CO -0.04 0.74 -0.33 0.00 0.00 0.00 0.00 179.25 179.62 2jwn h ALA 94 N 0.60 0.55 -0.07 0.00 0.00 -0.09 -2.83 119.26 117.42 2jwn h ALA 94 Ca -0.09 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2jwn h ALA 94 Cb 1.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2jwn h ALA 94 CO 0.18 0.62 0.18 -0.39 0.00 0.00 0.00 179.25 179.84 2jwn h VAL 95 N 0.71 0.18 0.00 0.00 -1.51 -0.86 0.21 116.25 114.98 2jwn h VAL 95 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 2jwn h VAL 95 Cb 0.92 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 2jwn h VAL 95 CO 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.43 2jwn h ALA 96 N 1.70 1.00 -0.25 5.19 0.00 -1.62 -1.81 119.26 123.48 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 -2.99 1.69 -0.26 0.00 2.81 0.73 -4.70 117.12 114.40 2jwn n MET 97 Ca 0.01 -1.06 -0.01 0.00 -1.81 0.00 0.00 57.70 54.83 2jwn n MET 97 Cb 0.31 -1.30 0.03 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.33 -0.43 -2.37 7.83 -0.08 -0.68 -1.51 116.55 119.62 2jwn n ASP 98 Ca 0.13 1.17 -0.21 0.00 -1.51 0.00 0.00 54.79 54.37 2jwn n ASP 98 Cb 0.28 -0.27 0.02 0.00 2.34 0.00 0.00 41.12 43.49 2jwn n ASP 98 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2jwn n GLU 99 N -4.99 3.05 -2.34 -0.67 2.13 -1.26 -0.85 120.64 115.72 2jwn n GLU 99 Ca 0.07 -4.14 -0.28 0.00 0.66 0.00 0.00 57.16 53.47 2jwn n GLU 99 Cb 0.27 -2.08 0.02 0.00 0.27 0.00 0.00 31.44 29.92 2jwn n GLU 99 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jwn s THR 100 N -4.74 4.23 -0.13 6.31 2.01 -0.57 -4.79 115.64 117.96 2jwn s THR 100 Ca 0.44 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 2jwn s THR 100 Cb 0.40 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2jwn s THR 100 CO -0.06 -0.72 0.15 0.54 -0.69 0.00 0.00 174.62 173.83 2jwn s VAL 101 N -2.98 5.47 -0.20 3.82 0.11 -1.26 -1.23 120.40 124.13 2jwn s VAL 101 Ca 0.52 0.23 -0.06 0.00 -2.93 0.00 0.00 61.98 59.75 2jwn s VAL 101 Cb -0.11 -3.43 0.10 0.00 -1.53 0.00 0.00 36.38 31.41 2jwn s VAL 101 CO 0.47 0.58 0.39 0.12 -3.33 0.00 0.00 175.10 173.33 2jwn s PHE 102 N -0.73 -0.75 -1.12 1.54 5.36 0.61 -4.91 117.98 117.98 2jwn s PHE 102 Ca 0.14 1.30 -0.03 0.00 -0.96 0.00 0.00 56.93 57.38 2jwn s PHE 102 Cb -0.12 0.19 -0.04 0.00 -0.34 0.00 0.00 43.02 42.72 2jwn s PHE 102 CO 0.03 -0.51 0.96 0.54 -1.46 0.00 0.00 175.22 174.78 2jwn n ARG 103 N 5.38 -4.40 0.00 10.12 1.74 -1.26 -3.19 116.66 125.05 2jwn n ARG 103 Ca -0.07 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 2jwn n ARG 103 Cb 0.50 -5.85 0.00 0.00 -1.02 0.00 0.00 32.46 26.08 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 -1.18 1.50 3.50 -0.13 0.00 -1.26 -4.90 105.19 102.71 2jwn n GLY 104 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 1.76 -0.17 1.61 1.70 -1.19 -5.11 118.95 117.55 2jwn s ARG 105 Ca 0.00 -1.78 -0.16 0.00 -0.47 0.00 0.00 55.73 53.33 2jwn s ARG 105 Cb 0.00 -1.79 -0.04 0.00 -0.57 0.00 0.00 34.95 32.55 2jwn s ARG 105 CO 0.00 0.29 0.37 0.99 -1.08 0.00 0.00 175.30 175.87 2jwn s THR 106 N -2.52 5.24 0.44 4.99 2.01 -1.26 -0.28 115.64 124.26 2jwn s THR 106 Ca 0.31 0.69 0.08 0.00 0.31 0.00 0.00 61.69 63.08 2jwn s THR 106 Cb -0.04 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2jwn s THR 106 CO 0.16 0.31 0.56 0.27 -0.69 0.00 0.00 174.62 175.23 2jwn s ILE 107 N 0.89 2.80 -0.08 1.82 -4.36 -0.37 -4.84 121.20 117.07 2jwn s ILE 107 Ca 0.19 -1.07 0.03 0.00 -0.26 0.00 0.00 60.65 59.54 2jwn s ILE 107 Cb -0.14 -2.87 0.01 0.00 1.25 0.00 0.00 42.46 40.71 2jwn s ILE 107 CO 0.07 0.00 -0.16 -0.75 0.24 0.00 0.00 174.94 174.34 2jwn s LYS 108 N -4.35 2.14 -0.24 0.37 2.47 -0.77 -3.70 119.74 115.65 2jwn s LYS 108 Ca 0.54 -0.56 0.03 0.00 -1.56 0.00 0.00 55.97 54.42 2jwn s LYS 108 Cb -0.08 -1.71 0.05 0.00 -1.46 0.00 0.00 37.83 34.62 2jwn s LYS 108 CO 0.33 0.06 -0.13 0.08 0.16 0.00 0.00 175.35 175.84 2jwn s VAL 109 N 0.62 2.15 0.15 4.02 1.01 -0.03 0.16 120.40 128.48 2jwn s VAL 109 Ca -0.15 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.43 2jwn s VAL 109 Cb -0.16 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2jwn s VAL 109 CO 0.04 0.10 -0.06 -0.76 0.00 0.00 0.00 175.10 174.42 2jwn s LEU 110 N 1.14 3.13 0.05 3.92 1.43 1.00 -4.27 118.68 125.08 2jwn s LEU 110 Ca -0.06 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 2jwn s LEU 110 Cb -0.18 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 2jwn s LEU 110 CO -0.07 0.13 1.15 -2.84 0.23 0.00 0.00 176.35 174.95 2jwn s PRO 111 N -2.61 4.46 -0.37 1.29 0.02 -1.26 0.53 135.00 137.07 2jwn s PRO 111 Ca 0.24 1.69 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 2jwn s PRO 111 Cb -0.10 -3.38 0.01 0.00 0.02 0.00 0.00 34.50 31.05 2jwn s PRO 111 CO 0.16 -0.22 1.30 0.21 -0.33 0.00 0.00 177.00 178.13 2jwn s LYS 112 N 1.07 3.78 0.07 5.54 2.20 0.10 -4.71 119.74 127.79 2jwn s LYS 112 Ca 0.57 1.03 -0.13 0.00 -0.36 0.00 0.00 55.97 57.09 2jwn s LYS 112 Cb -0.28 -3.93 0.02 0.00 -1.51 0.00 0.00 37.83 32.13 2jwn s LYS 112 CO 0.29 -1.30 0.29 -0.98 -0.36 0.00 0.00 175.35 173.28 2jwn s ARG 113 N 4.45 0.85 -0.81 4.03 1.70 -1.26 -4.37 118.95 123.54 2jwn s ARG 113 Ca 0.56 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 2jwn s ARG 113 Cb -0.14 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 2jwn s ARG 113 CO 0.27 -0.28 0.00 2.41 -1.08 0.00 0.00 175.30 176.62 2jwn n THR 114 N 0.30 0.00 0.18 4.99 -1.04 -1.26 -4.82 114.28 112.63 2jwn n THR 114 Ca -0.17 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.89 2jwn n THR 114 Cb 0.61 -1.04 0.22 0.00 -1.82 0.00 0.00 70.33 68.30 2jwn n THR 114 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2jwn n ASN 115 N 0.16 3.20 -4.67 8.00 5.03 -1.26 -2.11 115.26 123.61 2jwn n ASN 115 Ca -0.08 -2.34 -0.42 0.00 0.87 0.00 0.00 54.58 52.62 2jwn n ASN 115 Cb 0.31 -0.49 -0.03 0.00 -1.02 0.00 0.00 39.78 38.55 2jwn n ASN 115 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2jwn s MET 116 N -1.80 4.14 0.37 3.52 -1.94 -1.26 -3.99 119.30 118.35 2jwn s MET 116 Ca 0.31 2.61 -0.27 0.00 -1.71 0.00 0.00 55.69 56.62 2jwn s MET 116 Cb 0.21 -3.92 -0.11 0.00 2.01 0.00 0.00 34.83 33.01 2jwn s MET 116 CO 0.13 -0.91 1.25 -2.30 -0.01 0.00 0.00 175.02 173.19 2jwn n PRO 117 N 6.76 1.98 0.00 2.03 -0.02 -1.26 -4.03 135.00 140.46 2jwn n PRO 117 Ca 0.19 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2jwn n PRO 117 Cb 0.40 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2jwn n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwn n GLY 118 N 0.83 1.28 3.56 -1.23 0.00 -1.26 -4.96 105.19 103.40 2jwn n GLY 118 Ca 0.06 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 2jwn n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jwn s ILE 119 N 1.64 3.69 -0.29 -0.61 -5.25 -1.26 -4.85 121.20 114.28 2jwn s ILE 119 Ca 0.00 -0.20 0.02 0.00 -0.99 0.00 0.00 60.65 59.49 2jwn s ILE 119 Cb 0.00 -4.67 0.16 0.00 2.95 0.00 0.00 42.46 40.90 2jwn s ILE 119 CO 0.00 -1.59 0.42 -0.55 -1.79 0.00 0.00 174.94 171.43 2jwn s SER 120 N 5.58 0.28 -0.32 4.36 0.15 -1.26 -5.10 113.70 117.39 2jwn s SER 120 Ca 0.50 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.84 2jwn s SER 120 Cb -0.05 1.15 0.18 0.00 -1.71 0.00 0.00 66.02 65.59 2jwn s SER 120 CO 0.04 -0.35 0.51 -0.55 1.20 0.00 0.00 173.24 174.08 2jwn s SER 121 N 2.56 -0.57 -0.03 5.45 0.15 -1.26 -4.95 113.70 115.04 2jwn s SER 121 Ca 0.10 -0.42 0.05 0.00 0.70 0.00 0.00 55.95 56.37 2jwn s SER 121 Cb -0.12 1.52 0.08 0.00 -1.71 0.00 0.00 66.02 65.79 2jwn s SER 121 CO -0.30 -0.29 0.93 1.07 1.20 0.00 0.00 173.24 175.85 2jwn n THR 122 N 5.05 0.66 -3.75 6.45 5.66 -1.26 -5.02 114.28 122.06 2jwn n THR 122 Ca 0.05 -0.76 -0.13 0.00 -3.05 0.00 0.00 64.05 60.16 2jwn n THR 122 Cb 0.52 0.41 -0.14 0.00 -1.55 0.00 0.00 70.33 69.57 2jwn n THR 122 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jwn s ASP 123 N -1.28 -0.13 0.00 1.09 2.15 -1.26 -5.28 116.67 111.96 2jwn s ASP 123 Ca 0.08 0.32 0.01 0.00 0.43 0.00 0.00 52.55 53.40 2jwn s ASP 123 Cb 0.07 0.22 0.01 0.00 -0.30 0.00 0.00 42.92 42.92 2jwn s ASP 123 CO 0.01 -0.14 0.55 -1.14 -0.17 0.00 0.00 175.17 174.27