#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 4.41 -0.13 0.00 1.01 -1.26 -4.99 121.20 120.24 2jwn s ILE 2 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 61.95 2jwn s ILE 2 Cb 0.00 -4.47 0.04 0.00 0.01 0.00 0.00 42.46 38.04 2jwn s ILE 2 CO 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 174.94 174.18 2jwn s ALA 3 N 3.93 1.13 -0.58 9.38 0.00 -1.26 -5.09 121.76 129.27 2jwn s ALA 3 Ca 0.44 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 2jwn s ALA 3 Cb -0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2jwn s ALA 3 CO 0.23 -0.66 2.09 -2.14 0.00 0.00 0.00 175.76 175.29 2jwn s PRO 4 N 1.79 2.39 -0.48 0.00 0.02 -1.26 -4.90 135.00 132.56 2jwn s PRO 4 Ca 0.03 0.89 0.01 0.00 0.02 0.00 0.00 61.00 61.95 2jwn s PRO 4 Cb -0.14 -4.49 0.13 0.00 0.02 0.00 0.00 34.50 30.01 2jwn s PRO 4 CO -0.07 -3.01 0.24 0.00 -0.33 0.00 0.00 177.00 173.83 2jwn s MET 6 N 0.35 1.76 -0.17 0.00 -1.94 -1.26 -5.12 119.30 112.92 2jwn s MET 6 Ca 0.14 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 2jwn s MET 6 Cb -0.22 -1.46 0.02 0.00 2.01 0.00 0.00 34.83 35.18 2jwn s MET 6 CO -0.04 0.08 -0.16 1.14 -0.01 0.00 0.00 175.02 176.03 2jwn s GLN 7 N 0.49 2.58 -0.02 2.03 -2.07 -1.26 -4.60 119.66 116.81 2jwn s GLN 7 Ca -0.12 -0.70 -0.20 0.00 -1.82 0.00 0.00 55.36 52.52 2jwn s GLN 7 Cb -0.15 -2.33 0.04 0.00 -1.09 0.00 0.00 33.01 29.48 2jwn s GLN 7 CO 0.04 -0.24 0.43 0.99 -1.32 0.00 0.00 175.29 175.18 2jwn s THR 8 N 1.39 0.04 0.00 3.63 2.01 -1.26 -5.02 115.64 116.43 2jwn s THR 8 Ca 0.04 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2jwn s THR 8 Cb -0.13 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2jwn s THR 8 CO -0.11 -0.18 0.00 0.41 -0.69 0.00 0.00 174.62 174.04 2jwn n THR 9 N 1.14 0.00 -3.33 -0.82 -1.04 -1.26 -4.86 114.28 104.11 2jwn n THR 9 Ca -0.21 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 2jwn n THR 9 Cb 0.56 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.10 2jwn n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwn n HIS 10 N 0.00 -2.69 -2.13 -1.42 -0.00 -1.26 -5.01 115.22 102.71 2jwn n HIS 10 Ca 0.00 1.12 -0.29 0.00 -0.00 0.00 0.00 57.72 58.54 2jwn n HIS 10 Cb 0.00 -2.25 0.02 0.00 -0.00 0.00 0.00 29.99 27.76 2jwn n HIS 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2jwn s SER 11 N -1.67 6.02 -0.07 4.39 0.01 -1.26 -5.10 113.70 116.02 2jwn s SER 11 Ca 0.32 1.16 -0.30 0.00 1.31 0.00 0.00 55.95 58.44 2jwn s SER 11 Cb -0.04 -2.22 0.11 0.00 0.21 0.00 0.00 66.02 64.08 2jwn s SER 11 CO 0.78 -0.91 0.95 -1.59 0.41 0.00 0.00 173.24 172.89 2jwn s LYS 12 N -5.08 0.70 0.07 12.44 -2.85 -1.26 -5.04 119.74 118.72 2jwn s LYS 12 Ca 0.54 -0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 2jwn s LYS 12 Cb -0.11 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 2jwn s LYS 12 CO 0.50 -0.29 0.00 -1.33 0.10 0.00 0.00 175.35 174.33 2jwn n MET 13 N 0.01 -3.86 -3.55 1.78 2.81 -1.26 -5.10 117.12 107.95 2jwn n MET 13 Ca -0.08 2.77 -0.09 0.00 -1.81 0.00 0.00 57.70 58.49 2jwn n MET 13 Cb 0.60 -3.43 -0.02 0.00 -0.71 0.00 0.00 33.22 29.67 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 -0.41 0.00 -0.16 2.03 -1.32 -1.26 -5.17 115.64 109.35 2jwn s THR 14 Ca 0.00 -0.23 -0.08 0.00 -1.21 0.00 0.00 61.69 60.17 2jwn s THR 14 Cb 0.00 -1.27 0.06 0.00 -1.51 0.00 0.00 72.50 69.78 2jwn s THR 14 CO 0.00 0.00 0.37 0.00 -2.21 0.00 0.00 174.62 172.78 2jwn s ALA 15 N -3.50 -0.94 0.00 11.08 0.00 -1.26 -4.58 121.76 122.56 2jwn s ALA 15 Ca 0.05 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2jwn s ALA 15 Cb -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2jwn s ALA 15 CO -0.07 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2jwn n GLY 16 N 4.41 3.27 3.15 0.00 0.00 -1.26 -5.05 105.19 109.71 2jwn n GLY 16 Ca -0.22 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -3.42 0.00 4.61 0.00 -1.26 -4.90 121.76 116.80 2jwn s ALA 17 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2jwn s ALA 17 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2jwn s ALA 17 CO 0.00 -1.79 0.00 0.66 0.00 0.00 0.00 175.76 174.63 2jwn n TYR 18 N 5.30 0.00 -4.32 0.00 4.01 -1.26 -5.08 117.16 115.81 2jwn n TYR 18 Ca 0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.58 2jwn n TYR 18 Cb 0.55 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.43 2jwn n TYR 18 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jwn s THR 19 N -0.69 0.66 0.00 -0.72 2.01 -1.26 -4.82 115.64 110.82 2jwn s THR 19 Ca 0.00 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2jwn s THR 19 Cb 0.00 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2jwn s THR 19 CO 0.00 0.20 0.00 1.21 -0.69 0.00 0.00 174.62 175.34 2jwn n GLU 20 N 3.09 0.00 0.00 4.92 2.13 -1.26 -5.08 120.64 124.44 2jwn n GLU 20 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 2jwn n GLU 20 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 2jwn n GLU 20 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jwn n GLY 21 N 3.06 1.20 0.19 8.31 0.00 -1.26 -5.01 105.19 111.67 2jwn n GLY 21 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 0.01 -6.83 1.61 0.11 -2.06 -3.39 132.00 121.44 2jwn h PRO 22 Ca 0.00 -0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 2jwn h PRO 22 Cb 0.00 -0.00 0.09 0.00 0.11 0.00 0.00 31.00 31.20 2jwn h PRO 22 CO 0.00 0.00 0.88 -1.25 -0.21 0.00 0.00 178.00 177.43 2jwn s PRO 23 N -6.22 4.11 0.62 1.05 0.04 -1.26 -4.97 135.00 128.37 2jwn s PRO 23 Ca -0.14 2.60 -0.12 0.00 0.04 0.00 0.00 61.00 63.38 2jwn s PRO 23 Cb 0.16 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 2jwn s PRO 23 CO 0.71 -0.64 1.03 -0.65 0.04 0.00 0.00 177.00 177.50 2jwn s GLN 24 N -0.75 3.52 -0.68 4.56 -1.52 -1.26 -4.71 119.66 118.81 2jwn s GLN 24 Ca 0.62 0.83 -0.05 0.00 -1.95 0.00 0.00 55.36 54.81 2jwn s GLN 24 Cb -0.48 -2.07 -0.06 0.00 -0.22 0.00 0.00 33.01 30.18 2jwn s GLN 24 CO 0.51 -0.64 2.03 -0.35 -0.25 0.00 0.00 175.29 176.59 2jwn n PRO 25 N -2.64 1.73 0.00 2.91 -0.04 -1.26 -4.92 135.00 130.78 2jwn n PRO 25 Ca 0.06 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 2jwn n PRO 25 Cb 0.54 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2jwn n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jwn n LEU 26 N 3.99 0.00 -4.88 1.53 4.32 -1.26 -4.77 117.00 115.93 2jwn n LEU 26 Ca 0.37 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 56.04 2jwn n LEU 26 Cb 0.18 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.93 2jwn n LEU 26 CO 0.59 0.00 0.24 -0.44 -1.22 0.00 0.00 177.39 176.56 2jwn s SER 27 N -3.26 6.61 0.21 -1.43 0.01 -1.26 -4.98 113.70 109.60 2jwn s SER 27 Ca 0.00 0.93 -0.10 0.00 1.31 0.00 0.00 55.95 58.09 2jwn s SER 27 Cb 0.00 -2.23 0.28 0.00 0.21 0.00 0.00 66.02 64.28 2jwn s SER 27 CO 0.00 -0.11 1.70 0.00 0.41 0.00 0.00 173.24 175.24 2jwn h ALA 28 N 2.36 0.68 0.00 1.44 0.00 -2.00 -0.52 119.26 121.22 2jwn h ALA 28 Ca -0.47 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 2jwn h ALA 28 Cb 1.17 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2jwn h ALA 28 CO 0.68 -0.31 -0.82 0.93 0.00 0.00 0.00 179.25 179.73 2jwn h GLU 29 N 0.25 0.03 -0.56 0.00 5.08 -1.99 -2.67 114.58 114.71 2jwn h GLU 29 Ca 0.30 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2jwn h GLU 29 Cb 0.45 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2jwn h GLU 29 CO -0.40 0.83 0.37 0.93 -1.00 0.00 0.00 179.01 179.74 2jwn h GLU 30 N 0.01 0.67 -0.26 2.33 3.07 -1.79 -1.51 114.58 117.11 2jwn h GLU 30 Ca -0.01 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 2jwn h GLU 30 Cb 1.45 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 2jwn h GLU 30 CO 0.11 0.44 -0.00 0.87 -1.40 0.00 0.00 179.01 179.03 2jwn h LYS 31 N 0.69 0.45 -0.07 2.33 1.57 -0.84 -1.53 116.57 119.18 2jwn h LYS 31 Ca 0.22 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2jwn h LYS 31 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2jwn h LYS 31 CO -0.05 0.62 -0.21 0.87 -0.57 0.00 0.00 179.45 180.11 2jwn h LYS 32 N 0.23 0.11 -0.22 3.15 6.56 -1.11 0.93 116.57 126.23 2jwn h LYS 32 Ca 0.07 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2jwn h LYS 32 Cb 0.42 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 2jwn h LYS 32 CO 0.01 0.32 0.06 0.93 -2.06 0.00 0.00 179.45 178.71 2jwn h GLU 33 N 0.11 0.34 -0.18 3.15 4.39 -1.05 -2.35 114.58 119.00 2jwn h GLU 33 Ca 0.02 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 2jwn h GLU 33 Cb 0.44 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jwn h GLU 33 CO 0.03 0.45 -0.53 -0.84 -1.16 0.00 0.00 179.01 176.96 2jwn h ILE 34 N 0.17 1.32 -0.79 3.13 3.07 -0.81 -3.01 117.51 120.59 2jwn h ILE 34 Ca 0.07 -1.77 -0.01 0.00 1.55 0.00 0.00 64.86 64.70 2jwn h ILE 34 Cb 0.26 1.76 -0.04 0.00 -0.27 0.00 0.00 36.82 38.53 2jwn h ILE 34 CO -0.00 0.55 0.44 0.44 -1.05 0.00 0.00 178.15 178.53 2jwn h ASP 35 N 0.40 0.98 -0.08 2.16 3.32 -0.82 -1.16 116.42 121.21 2jwn h ASP 35 Ca 0.01 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2jwn h ASP 35 Cb 1.05 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2jwn h ASP 35 CO 0.10 0.79 0.09 0.50 -1.72 0.00 0.00 179.24 179.00 2jwn h LYS 36 N 1.09 0.00 -0.02 3.56 3.64 -1.30 -2.66 116.57 120.89 2jwn h LYS 36 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2jwn h LYS 36 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2jwn h LYS 36 CO -0.05 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.67 2jwn n ARG 37 N -3.84 2.93 -3.81 1.90 1.74 -0.78 -4.84 116.66 109.97 2jwn n ARG 37 Ca -0.01 -1.57 -0.27 0.00 -0.77 0.00 0.00 57.85 55.23 2jwn n ARG 37 Cb 0.19 -1.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 2jwn n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jwn s SER 38 N -1.07 6.36 0.08 0.55 0.15 -0.51 -0.86 113.70 118.41 2jwn s SER 38 Ca 0.02 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.95 2jwn s SER 38 Cb 0.02 -1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 2jwn s SER 38 CO 0.01 0.00 0.02 0.68 1.20 0.00 0.00 173.24 175.15 2jwn s VAL 39 N -1.81 0.17 -0.17 4.45 -7.23 -0.63 -0.65 120.40 114.53 2jwn s VAL 39 Ca 0.37 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2jwn s VAL 39 Cb -0.11 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 2jwn s VAL 39 CO 0.29 -0.78 -0.08 -0.47 -0.31 0.00 0.00 175.10 173.74 2jwn s TYR 40 N -3.96 2.90 -0.31 2.82 5.04 0.13 -1.83 117.35 122.14 2jwn s TYR 40 Ca 0.13 -0.69 -0.03 0.00 -2.44 0.00 0.00 57.07 54.04 2jwn s TYR 40 Cb 0.07 -1.95 0.04 0.00 0.35 0.00 0.00 41.96 40.48 2jwn s TYR 40 CO -0.06 -0.30 0.02 0.08 -1.34 0.00 0.00 175.55 173.96 2jwn s VAL 41 N 0.74 3.20 0.35 3.14 1.01 0.25 -2.00 120.40 127.09 2jwn s VAL 41 Ca -0.04 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 60.73 2jwn s VAL 41 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2jwn s VAL 41 CO 0.02 -0.10 0.25 -0.83 0.00 0.00 0.00 175.10 174.43 2jwn s GLY 42 N 1.30 1.90 -1.56 4.51 0.00 0.36 -0.25 107.32 113.58 2jwn s GLY 42 Ca -0.04 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.92 2jwn s GLY 42 CO -0.00 -1.67 0.00 -2.01 0.00 0.00 0.00 173.10 169.42 2jwn n ASN 43 N -1.32 -4.89 -4.22 1.64 5.15 -1.21 -2.75 115.26 107.66 2jwn n ASN 43 Ca -0.01 0.20 -0.42 0.00 -0.60 0.00 0.00 54.58 53.75 2jwn n ASN 43 Cb 0.61 -3.91 -0.07 0.00 -0.53 0.00 0.00 39.78 35.88 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 -2.70 4.50 -0.11 3.44 0.11 -0.83 -4.85 120.40 119.96 2jwn s VAL 44 Ca 0.00 -2.21 -0.03 0.00 -2.93 0.00 0.00 61.98 56.81 2jwn s VAL 44 Cb 0.00 -3.90 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 2jwn s VAL 44 CO 0.00 -0.87 0.01 -1.81 -3.33 0.00 0.00 175.10 169.11 2jwn s ASP 45 N 2.15 5.31 0.00 3.54 1.11 -1.26 -3.15 116.67 124.37 2jwn s ASP 45 Ca 0.11 0.13 0.00 0.00 0.18 0.00 0.00 52.55 52.97 2jwn s ASP 45 Cb -0.21 -1.60 0.00 0.00 1.07 0.00 0.00 42.92 42.18 2jwn s ASP 45 CO -0.03 0.34 0.00 -1.22 1.18 0.00 0.00 175.17 175.44 2jwn n TYR 46 N 2.42 0.00 0.32 4.23 4.02 -1.26 -3.83 117.16 123.06 2jwn n TYR 46 Ca -0.18 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 57.91 2jwn n TYR 46 Cb 0.53 0.00 1.06 0.00 -0.02 0.00 0.00 39.34 40.91 2jwn n TYR 46 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2jwn h GLY 47 N 0.00 0.00 -5.57 2.72 0.00 -2.02 -3.41 103.07 94.80 2jwn h GLY 47 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2jwn h GLY 47 CO 0.00 0.00 -0.30 -0.56 0.00 0.00 0.00 176.54 175.68 2jwn s SER 48 N -5.38 6.55 0.56 0.19 0.01 -1.25 -5.08 113.70 109.30 2jwn s SER 48 Ca -0.03 0.66 0.08 0.00 1.31 0.00 0.00 55.95 57.96 2jwn s SER 48 Cb 0.12 -2.19 0.07 0.00 0.21 0.00 0.00 66.02 64.23 2jwn s SER 48 CO 0.46 0.21 0.77 0.42 0.41 0.00 0.00 173.24 175.51 2jwn s THR 49 N -0.23 2.34 0.18 1.44 -4.23 -1.26 -4.96 115.64 108.92 2jwn s THR 49 Ca 0.19 -0.94 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 2jwn s THR 49 Cb -0.14 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.38 2jwn s THR 49 CO 0.07 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.99 2jwn h ALA 50 N 0.19 0.72 -0.46 3.99 0.00 -1.98 -2.22 119.26 119.50 2jwn h ALA 50 Ca -0.33 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.58 2jwn h ALA 50 Cb 1.28 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2jwn h ALA 50 CO 0.42 0.16 0.22 1.96 0.00 0.00 0.00 179.25 182.01 2jwn h GLN 51 N 0.76 0.42 -0.78 0.00 7.50 -1.98 0.13 115.11 121.17 2jwn h GLN 51 Ca 0.21 -0.03 0.07 0.00 0.50 0.00 0.00 58.65 59.40 2jwn h GLN 51 Cb -0.07 -0.10 -0.06 0.00 0.05 0.00 0.00 27.48 27.30 2jwn h GLN 51 CO -0.04 0.28 0.46 -0.44 -1.50 0.00 0.00 178.83 177.59 2jwn h ASP 52 N 0.44 0.69 -0.01 1.46 3.32 -1.85 0.86 116.42 121.33 2jwn h ASP 52 Ca 0.21 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2jwn h ASP 52 Cb 0.13 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2jwn h ASP 52 CO -0.16 0.43 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.67 2jwn h LEU 53 N 0.82 0.07 -0.04 1.55 3.38 -0.97 -2.64 115.31 117.48 2jwn h LEU 53 Ca 0.35 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2jwn h LEU 53 Cb 0.23 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2jwn h LEU 53 CO -0.20 0.72 0.01 -0.08 0.09 0.00 0.00 178.44 178.99 2jwn h GLU 54 N -0.58 0.06 -0.78 1.13 4.22 -0.53 -1.08 114.58 117.01 2jwn h GLU 54 Ca -0.00 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.44 2jwn h GLU 54 Cb 0.72 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 2jwn h GLU 54 CO 0.01 0.25 0.51 0.00 -2.18 0.00 0.00 179.01 177.60 2jwn h ALA 55 N 0.81 1.01 -0.29 2.92 0.00 -0.95 0.43 119.26 123.19 2jwn h ALA 55 Ca 0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jwn h ALA 55 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2jwn h ALA 55 CO -0.00 0.35 -0.18 1.25 0.00 0.00 0.00 179.25 180.67 2jwn h HIS 56 N 1.01 0.56 0.00 0.00 -0.00 -1.23 -1.58 115.15 113.92 2jwn h HIS 56 Ca 0.30 -0.10 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 2jwn h HIS 56 Cb -0.05 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 2jwn h HIS 56 CO -0.02 0.67 -0.32 0.74 -0.00 0.00 0.00 177.93 178.99 2jwn h PHE 57 N 0.47 0.00 -0.25 5.26 0.04 -0.69 -3.30 116.94 118.47 2jwn h PHE 57 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2jwn h PHE 57 Cb 0.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2jwn h PHE 57 CO 0.02 0.10 0.11 0.77 -0.60 0.00 0.00 178.31 178.70 2jwn h SER 58 N 0.00 0.30 -0.20 2.17 0.02 0.89 0.22 113.55 116.95 2jwn h SER 58 Ca -0.01 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2jwn h SER 58 Cb 1.08 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2jwn h SER 58 CO 0.01 0.27 0.14 0.28 -1.14 0.00 0.00 176.83 176.39 2jwn h SER 59 N 0.34 0.08 -0.01 3.07 0.02 -1.61 -1.93 113.55 113.52 2jwn h SER 59 Ca 0.09 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2jwn h SER 59 Cb 0.06 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2jwn h SER 59 CO -0.01 0.06 -0.11 0.00 -1.14 0.00 0.00 176.83 175.62 2jwn n GLY 61 N 1.33 -1.69 0.00 0.00 0.00 -0.66 -4.43 105.19 99.75 2jwn n GLY 61 Ca 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2jwn n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jwn n SER 62 N 1.78 0.00 -0.01 1.61 3.41 -1.26 -4.17 113.62 114.98 2jwn n SER 62 Ca 0.00 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2jwn n SER 62 Cb 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2jwn n SER 62 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2jwn n ILE 63 N -1.75 -0.02 -0.06 -1.33 5.41 -1.26 -4.82 119.36 115.54 2jwn n ILE 63 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2jwn n ILE 63 Cb 0.00 -0.03 -0.11 0.00 -0.71 0.00 0.00 39.64 38.79 2jwn n ILE 63 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2jwn n ASN 64 N 0.00 1.70 -3.71 4.38 4.13 0.16 -4.87 115.26 117.06 2jwn n ASN 64 Ca 0.00 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 2jwn n ASN 64 Cb 0.00 0.98 -0.07 0.00 -1.54 0.00 0.00 39.78 39.15 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 -2.44 0.88 -0.06 3.52 0.52 -0.86 -4.99 118.95 115.52 2jwn s ARG 65 Ca -0.06 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 2jwn s ARG 65 Cb 0.05 0.39 0.02 0.00 0.52 0.00 0.00 34.95 35.93 2jwn s ARG 65 CO 0.56 -0.30 0.15 0.96 0.02 0.00 0.00 175.30 176.69 2jwn s ILE 66 N -2.68 -0.01 -0.11 1.52 -4.36 -1.26 -0.01 121.20 114.29 2jwn s ILE 66 Ca -0.04 0.05 0.02 0.00 -0.26 0.00 0.00 60.65 60.41 2jwn s ILE 66 Cb -0.00 -0.22 0.01 0.00 1.25 0.00 0.00 42.46 43.50 2jwn s ILE 66 CO -0.04 0.02 -0.15 -0.89 0.24 0.00 0.00 174.94 174.12 2jwn s THR 67 N 0.38 1.51 -0.18 8.37 2.01 0.13 -4.95 115.64 122.92 2jwn s THR 67 Ca -0.03 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2jwn s THR 67 Cb -0.04 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.11 2jwn s THR 67 CO -0.02 0.44 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.57 2jwn s ILE 68 N 1.00 1.86 -0.07 1.82 1.09 -1.26 0.33 121.20 125.97 2jwn s ILE 68 Ca -0.06 -0.92 0.05 0.00 -1.10 0.00 0.00 60.65 58.62 2jwn s ILE 68 Cb -0.15 -1.76 -0.00 0.00 -1.06 0.00 0.00 42.46 39.49 2jwn s ILE 68 CO -0.02 0.41 -0.23 -1.48 -0.10 0.00 0.00 174.94 173.52 2jwn s LEU 69 N 1.35 2.02 -0.16 2.97 2.34 0.02 -5.00 118.68 122.23 2jwn s LEU 69 Ca 0.03 -0.49 0.00 0.00 0.06 0.00 0.00 54.13 53.73 2jwn s LEU 69 Cb -0.14 -1.29 0.00 0.00 -0.56 0.00 0.00 46.19 44.20 2jwn s LEU 69 CO -0.11 0.19 -0.16 0.00 -1.06 0.00 0.00 176.35 175.21 2jwn s ASP 71 N 0.86 4.36 0.00 0.00 -4.77 -0.14 -4.88 116.67 112.10 2jwn s ASP 71 Ca -0.05 -0.12 0.03 0.00 -3.30 0.00 0.00 52.55 49.11 2jwn s ASP 71 Cb -0.15 -1.12 0.08 0.00 -1.09 0.00 0.00 42.92 40.63 2jwn s ASP 71 CO -0.01 0.33 0.96 0.29 0.70 0.00 0.00 175.17 177.44 2jwn n LYS 72 N 2.46 2.08 0.17 2.11 5.02 -1.26 -0.39 118.16 128.35 2jwn n LYS 72 Ca -0.18 -1.43 0.13 0.00 -2.02 0.00 0.00 58.31 54.82 2jwn n LYS 72 Cb 0.53 -1.08 0.55 0.00 -0.02 0.00 0.00 35.03 35.01 2jwn n LYS 72 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2jwn h PHE 73 N 0.64 0.00 -0.18 2.13 -5.15 -1.92 0.20 116.94 112.65 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 0.46 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.63 2jwn h PHE 73 CO 0.05 0.00 0.00 0.43 -2.00 0.00 0.00 178.31 176.79 2jwn n SER 74 N -2.44 1.28 0.00 -0.68 7.64 -1.26 -4.92 113.62 113.24 2jwn n SER 74 Ca 0.02 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.09 2jwn n SER 74 Cb 0.24 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jwn n GLY 75 N 0.97 1.99 3.83 0.23 0.00 0.70 -4.91 105.19 108.00 2jwn n GLY 75 Ca 0.12 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 3.63 -0.16 1.61 3.76 -1.26 -4.87 115.29 118.01 2jwn s HIS 76 Ca 0.00 0.75 -0.29 0.00 -0.15 0.00 0.00 55.06 55.37 2jwn s HIS 76 Cb 0.00 -2.17 -0.03 0.00 1.11 0.00 0.00 32.58 31.49 2jwn s HIS 76 CO 0.00 0.60 1.46 -1.25 -0.85 0.00 0.00 174.74 174.70 2jwn s PRO 77 N -0.77 4.09 0.35 8.40 0.04 -1.25 -4.38 135.00 141.48 2jwn s PRO 77 Ca 0.19 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.10 2jwn s PRO 77 Cb -0.14 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.45 2jwn s PRO 77 CO 0.08 -0.91 0.11 0.15 0.04 0.00 0.00 177.00 176.46 2jwn s LYS 78 N 3.98 2.27 0.02 4.56 1.02 0.48 -4.91 119.74 127.15 2jwn s LYS 78 Ca 0.64 -1.64 0.01 0.00 0.02 0.00 0.00 55.97 55.00 2jwn s LYS 78 Cb -0.25 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2jwn s LYS 78 CO 0.23 0.09 -0.04 0.20 -0.92 0.00 0.00 175.35 174.91 2jwn s GLY 79 N -3.81 0.26 -0.11 -3.33 0.00 -1.25 -0.96 107.32 98.12 2jwn s GLY 79 Ca 0.37 -0.44 -0.20 0.00 0.00 0.00 0.00 44.72 44.45 2jwn s GLY 79 CO 0.22 -0.47 0.49 -2.52 0.00 0.00 0.00 173.10 170.81 2jwn s TYR 80 N -0.88 -0.47 0.08 1.90 1.13 -0.58 -1.96 117.35 116.58 2jwn s TYR 80 Ca -0.08 0.98 0.04 0.00 -1.41 0.00 0.00 57.07 56.61 2jwn s TYR 80 Cb -0.06 0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.98 2jwn s TYR 80 CO -0.00 -0.38 -0.11 0.00 -2.51 0.00 0.00 175.55 172.55 2jwn s ALA 81 N -0.54 1.04 -0.07 9.51 0.00 0.65 -0.80 121.76 131.56 2jwn s ALA 81 Ca -0.07 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.87 2jwn s ALA 81 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2jwn s ALA 81 CO 0.04 0.03 -0.19 0.71 0.00 0.00 0.00 175.76 176.35 2jwn s TYR 82 N -1.88 2.04 -0.20 0.00 1.51 0.15 0.85 117.35 119.82 2jwn s TYR 82 Ca 0.00 -0.75 -0.02 0.00 -1.01 0.00 0.00 57.07 55.30 2jwn s TYR 82 Cb -0.06 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 2jwn s TYR 82 CO 0.01 -0.31 -0.11 0.42 -1.11 0.00 0.00 175.55 174.45 2jwn s ILE 83 N 0.33 2.81 -0.27 2.71 -1.09 -0.76 0.20 121.20 125.13 2jwn s ILE 83 Ca -0.13 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.49 2jwn s ILE 83 Cb -0.16 -2.24 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 2jwn s ILE 83 CO 0.05 0.48 0.18 -1.61 -1.23 0.00 0.00 174.94 172.81 2jwn s GLU 84 N 1.34 3.98 0.30 2.79 8.01 0.98 -1.61 118.70 134.48 2jwn s GLU 84 Ca 0.04 -0.31 0.05 0.00 0.01 0.00 0.00 54.97 54.76 2jwn s GLU 84 Cb -0.14 -3.61 -0.02 0.00 -4.31 0.00 0.00 34.13 26.05 2jwn s GLU 84 CO -0.07 -0.10 0.44 -0.06 0.01 0.00 0.00 175.26 175.48 2jwn s PHE 85 N 1.53 3.34 0.03 1.61 0.08 -0.04 0.37 117.98 124.92 2jwn s PHE 85 Ca 0.07 -0.01 0.10 0.00 0.12 0.00 0.00 56.93 57.21 2jwn s PHE 85 Cb -0.15 -1.79 -0.22 0.00 -0.57 0.00 0.00 43.02 40.30 2jwn s PHE 85 CO 0.09 0.21 0.97 0.00 -0.10 0.00 0.00 175.22 176.39 2jwn h ALA 86 N 0.98 0.57 -2.70 5.36 0.00 -1.89 -3.43 119.26 118.15 2jwn h ALA 86 Ca -0.49 -1.18 -0.64 0.00 0.00 0.00 0.00 54.91 52.60 2jwn h ALA 86 Cb 1.24 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2jwn h ALA 86 CO 0.58 1.41 -0.39 -1.21 0.00 0.00 0.00 179.25 179.64 2jwn s GLU 87 N -2.66 3.57 0.28 0.00 8.01 -1.26 -4.96 118.70 121.68 2jwn s GLU 87 Ca -0.02 -0.05 0.09 0.00 0.01 0.00 0.00 54.97 55.01 2jwn s GLU 87 Cb 0.09 -3.13 0.40 0.00 -4.31 0.00 0.00 34.13 27.19 2jwn s GLU 87 CO 0.82 0.69 1.64 -0.09 0.01 0.00 0.00 175.26 178.34 2jwn h ARG 88 N 4.32 0.07 -0.29 1.61 1.12 -1.89 -2.84 114.38 116.48 2jwn h ARG 88 Ca -0.51 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 58.21 2jwn h ARG 88 Cb 1.21 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.16 2jwn h ARG 88 CO 0.64 0.61 -0.25 -0.91 -3.11 0.00 0.00 179.97 176.94 2jwn h ASN 89 N 0.05 0.58 -0.04 -3.80 4.21 -1.94 -2.79 115.58 111.85 2jwn h ASN 89 Ca -0.00 -0.20 -0.16 0.00 1.21 0.00 0.00 56.30 57.14 2jwn h ASN 89 Cb 1.00 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 2jwn h ASN 89 CO 0.08 0.82 -0.52 0.28 -1.29 0.00 0.00 177.43 176.79 2jwn h SER 90 N 0.50 0.68 -0.37 5.81 0.02 -1.72 -1.22 113.55 117.26 2jwn h SER 90 Ca 0.07 -0.35 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 2jwn h SER 90 Cb 0.70 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2jwn h SER 90 CO 0.05 1.07 -0.07 1.62 -1.14 0.00 0.00 176.83 178.37 2jwn h VAL 91 N 0.48 1.25 -0.11 2.27 3.04 -1.46 -1.29 116.25 120.44 2jwn h VAL 91 Ca 0.02 -1.11 -0.06 0.00 -1.01 0.00 0.00 66.70 64.54 2jwn h VAL 91 Cb 1.07 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 2jwn h VAL 91 CO 0.10 0.38 -0.21 -0.78 -1.01 0.00 0.00 177.57 176.06 2jwn h ASP 92 N 0.72 0.17 0.54 3.17 1.82 -1.20 -0.69 116.42 120.96 2jwn h ASP 92 Ca 0.13 -0.04 -0.16 0.00 -0.39 0.00 0.00 57.03 56.57 2jwn h ASP 92 Cb 0.54 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 2jwn h ASP 92 CO 0.03 0.39 -0.69 0.00 -1.61 0.00 0.00 179.24 177.36 2jwn h ALA 93 N 1.63 0.79 -0.05 -0.78 0.00 -0.62 -3.19 119.26 117.04 2jwn h ALA 93 Ca 0.03 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 2jwn h ALA 93 Cb 0.47 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jwn h ALA 93 CO 0.03 0.82 -0.55 0.00 0.00 0.00 0.00 179.25 179.55 2jwn h ALA 94 N 1.20 0.13 -0.04 0.00 0.00 -0.41 -3.12 119.26 117.02 2jwn h ALA 94 Ca -0.01 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2jwn h ALA 94 Cb 1.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jwn h ALA 94 CO 0.10 0.36 0.10 -0.39 0.00 0.00 0.00 179.25 179.42 2jwn h VAL 95 N 0.00 0.22 0.00 0.00 -1.51 -1.21 0.56 116.25 114.31 2jwn h VAL 95 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2jwn h VAL 95 Cb 1.23 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 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 1.76 -0.25 5.19 0.00 -1.18 -1.68 120.51 122.19 2jwn n ALA 96 Ca -0.02 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.55 2jwn n ALA 96 Cb 0.18 -1.36 0.26 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.00 2.72 -0.35 0.00 0.00 0.19 -4.74 117.12 112.93 2jwn n MET 97 Ca 0.03 -2.44 -0.05 0.00 0.00 0.00 0.00 57.70 55.23 2jwn n MET 97 Cb 0.24 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 31.96 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2jwn n ASP 98 N 1.31 -0.74 -4.13 6.12 5.75 -0.67 -3.16 116.55 121.02 2jwn n ASP 98 Ca 0.20 1.53 -0.37 0.00 -0.01 0.00 0.00 54.79 56.14 2jwn n ASP 98 Cb 0.56 -0.27 -0.07 0.00 -1.03 0.00 0.00 41.12 40.31 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 -5.63 3.06 0.27 0.11 2.12 -1.26 -1.93 118.70 115.45 2jwn s GLU 99 Ca -0.11 -2.92 0.04 0.00 0.36 0.00 0.00 54.97 52.34 2jwn s GLU 99 Cb 0.14 -3.93 -0.06 0.00 0.26 0.00 0.00 34.13 30.54 2jwn s GLU 99 CO 0.58 -1.23 0.02 0.95 -0.54 0.00 0.00 175.26 175.04 2jwn s THR 100 N -0.72 1.13 -0.37 -1.70 -4.23 -1.19 -4.70 115.64 103.87 2jwn s THR 100 Ca 0.23 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.65 2jwn s THR 100 Cb -0.13 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.23 2jwn s THR 100 CO -0.08 -0.17 0.15 0.54 -0.54 0.00 0.00 174.62 174.51 2jwn s VAL 101 N -3.35 3.62 -0.20 2.29 0.11 -1.26 -0.15 120.40 121.45 2jwn s VAL 101 Ca 0.32 -1.48 -0.07 0.00 -2.93 0.00 0.00 61.98 57.83 2jwn s VAL 101 Cb 0.07 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 2jwn s VAL 101 CO 0.12 -0.38 0.05 0.12 -3.33 0.00 0.00 175.10 171.68 2jwn s PHE 102 N 1.31 3.14 -1.24 1.54 5.36 0.86 -4.47 117.98 124.49 2jwn s PHE 102 Ca 0.01 -0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 55.76 2jwn s PHE 102 Cb -0.21 -2.11 0.03 0.00 -0.34 0.00 0.00 43.02 40.38 2jwn s PHE 102 CO 0.00 -0.08 0.28 -2.13 -1.46 0.00 0.00 175.22 171.84 2jwn n ARG 103 N 4.05 -3.06 -0.19 10.12 0.63 -1.26 -0.97 116.66 125.98 2jwn n ARG 103 Ca -0.17 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 2jwn n ARG 103 Cb 0.52 -5.29 0.00 0.00 0.45 0.00 0.00 32.46 28.14 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 -1.06 0.88 3.25 5.14 0.00 -1.26 -5.05 105.19 107.09 2jwn n GLY 104 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.64 2.05 -0.13 1.61 1.70 -0.14 -5.06 118.95 118.34 2jwn s ARG 105 Ca 0.00 -0.83 -0.29 0.00 -0.47 0.00 0.00 55.73 54.13 2jwn s ARG 105 Cb 0.00 -1.89 -0.02 0.00 -0.57 0.00 0.00 34.95 32.47 2jwn s ARG 105 CO 0.00 0.45 1.20 0.99 -1.08 0.00 0.00 175.30 176.86 2jwn s THR 106 N -0.40 4.35 0.45 4.99 2.01 -1.26 -0.10 115.64 125.68 2jwn s THR 106 Ca 0.05 1.64 0.08 0.00 0.31 0.00 0.00 61.69 63.77 2jwn s THR 106 Cb -0.10 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2jwn s THR 106 CO 0.00 -0.09 0.56 0.27 -0.69 0.00 0.00 174.62 174.68 2jwn s ILE 107 N 2.94 2.72 -0.07 1.82 -4.36 0.79 -4.79 121.20 120.25 2jwn s ILE 107 Ca 0.54 -1.09 0.03 0.00 -0.26 0.00 0.00 60.65 59.87 2jwn s ILE 107 Cb -0.22 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.68 2jwn s ILE 107 CO 0.16 0.00 -0.17 -0.54 0.24 0.00 0.00 174.94 174.63 2jwn s LYS 108 N -4.36 2.19 -0.17 0.37 -0.14 -1.11 -3.77 119.74 112.75 2jwn s LYS 108 Ca 0.54 -0.62 -0.00 0.00 -1.36 0.00 0.00 55.97 54.53 2jwn s LYS 108 Cb -0.08 -1.75 0.04 0.00 -1.68 0.00 0.00 37.83 34.36 2jwn s LYS 108 CO 0.33 0.13 -0.08 0.08 -0.76 0.00 0.00 175.35 175.05 2jwn s VAL 109 N 0.42 1.28 0.05 3.17 1.01 -0.81 -0.48 120.40 125.04 2jwn s VAL 109 Ca -0.14 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 2jwn s VAL 109 Cb -0.16 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2jwn s VAL 109 CO 0.05 0.20 0.20 -1.48 0.00 0.00 0.00 175.10 174.08 2jwn s LEU 110 N 1.57 1.35 0.17 3.92 -0.00 -0.85 -4.25 118.68 120.59 2jwn s LEU 110 Ca 0.01 -0.44 -0.32 0.00 -0.00 0.00 0.00 54.13 53.38 2jwn s LEU 110 Cb -0.15 1.01 -0.11 0.00 -0.00 0.00 0.00 46.19 46.94 2jwn s LEU 110 CO -0.08 -0.61 1.65 -2.84 -0.00 0.00 0.00 176.35 174.46 2jwn s PRO 111 N -2.96 4.18 -0.63 1.48 0.02 -1.26 0.17 135.00 135.99 2jwn s PRO 111 Ca -0.02 2.46 -0.22 0.00 0.02 0.00 0.00 61.00 63.25 2jwn s PRO 111 Cb 0.01 -3.19 0.08 0.00 0.02 0.00 0.00 34.50 31.42 2jwn s PRO 111 CO -0.06 -0.68 0.88 0.21 -0.33 0.00 0.00 177.00 177.02 2jwn s LYS 112 N 1.38 3.10 -0.36 5.54 2.36 0.17 -4.74 119.74 127.19 2jwn s LYS 112 Ca 0.73 -0.94 0.06 0.00 -2.55 0.00 0.00 55.97 53.27 2jwn s LYS 112 Cb -0.46 -4.23 0.19 0.00 -1.05 0.00 0.00 37.83 32.28 2jwn s LYS 112 CO 0.32 -1.71 0.63 0.50 1.55 0.00 0.00 175.35 176.65 2jwn s ARG 113 N 3.64 0.69 0.00 4.03 3.00 -1.26 -4.28 118.95 124.77 2jwn s ARG 113 Ca 0.19 0.05 0.00 0.00 -1.00 0.00 0.00 55.73 54.98 2jwn s ARG 113 Cb -0.19 0.15 0.00 0.00 0.00 0.00 0.00 34.95 34.92 2jwn s ARG 113 CO 0.10 -1.09 0.00 0.25 0.00 0.00 0.00 175.30 174.55 2jwn n THR 114 N 4.78 0.00 -2.59 4.11 -2.24 -1.26 -4.84 114.28 112.25 2jwn n THR 114 Ca 0.09 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 2jwn n THR 114 Cb 0.56 -1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 2jwn n THR 114 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2jwn s ASN 115 N -1.67 6.66 0.11 3.42 3.84 -1.26 -4.92 114.94 121.11 2jwn s ASN 115 Ca 0.00 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.64 2jwn s ASN 115 Cb 0.00 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.11 2jwn s ASN 115 CO 0.00 -1.22 -0.01 0.00 -2.79 0.00 0.00 177.10 173.08 2jwn s MET 116 N 4.38 0.86 0.32 0.43 0.23 -1.26 -4.76 119.30 119.50 2jwn s MET 116 Ca 0.48 -1.37 -0.29 0.00 -1.03 0.00 0.00 55.69 53.48 2jwn s MET 116 Cb -0.08 0.00 -0.11 0.00 -1.53 0.00 0.00 34.83 33.11 2jwn s MET 116 CO 0.30 -0.13 1.53 -1.25 -2.03 0.00 0.00 175.02 173.44 2jwn s PRO 117 N -3.93 4.14 0.00 3.16 0.04 -1.26 -3.54 135.00 133.61 2jwn s PRO 117 Ca 0.16 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2jwn s PRO 117 Cb 0.07 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2jwn s PRO 117 CO -0.03 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2jwn n GLY 118 N 1.42 1.45 3.47 0.56 0.00 -1.26 -4.85 105.19 105.98 2jwn n GLY 118 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2jwn n GLY 118 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jwn n ILE 119 N -0.26 -4.55 0.02 -0.61 3.06 -1.25 -4.93 119.36 110.83 2jwn n ILE 119 Ca 0.00 0.15 0.06 0.00 -2.50 0.00 0.00 62.75 60.46 2jwn n ILE 119 Cb 0.00 -3.86 -0.10 0.00 0.54 0.00 0.00 39.64 36.21 2jwn n ILE 119 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2jwn n SER 120 N -0.31 0.41 -0.27 9.51 3.41 -1.23 -5.05 113.62 120.08 2jwn n SER 120 Ca -0.08 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2jwn n SER 120 Cb 0.67 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 2jwn n SER 120 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jwn n SER 121 N -2.56 -3.26 -1.80 4.04 7.64 -1.26 -4.98 113.62 111.44 2jwn n SER 121 Ca -0.08 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.80 2jwn n SER 121 Cb 0.69 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2jwn n SER 121 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jwn n THR 122 N -0.55 -4.38 0.00 0.44 -1.04 -1.26 -4.88 114.28 102.61 2jwn n THR 122 Ca 0.00 0.41 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 2jwn n THR 122 Cb 0.00 -4.72 0.00 0.00 -1.82 0.00 0.00 70.33 63.79 2jwn n THR 122 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jwn n ASP 123 N 0.08 0.00 -0.68 8.00 2.03 -1.26 -5.08 116.55 119.64 2jwn n ASP 123 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2jwn n ASP 123 Cb 0.02 0.29 0.07 0.00 -0.72 0.00 0.00 41.12 40.78 2jwn n ASP 123 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82