#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 2.74 0.33 0.00 -4.36 -1.26 -5.12 121.20 113.53 2jwn s ILE 2 Ca 0.00 -0.83 -0.26 0.00 -0.26 0.00 0.00 60.65 59.30 2jwn s ILE 2 Cb 0.00 -2.06 -0.10 0.00 1.25 0.00 0.00 42.46 41.55 2jwn s ILE 2 CO 0.00 0.57 0.96 0.00 0.24 0.00 0.00 174.94 176.72 2jwn s ALA 3 N -0.43 3.21 0.49 2.27 0.00 -1.26 -5.02 121.76 121.02 2jwn s ALA 3 Ca 0.05 0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 2jwn s ALA 3 Cb -0.12 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 2jwn s ALA 3 CO 0.02 0.12 1.38 -1.25 0.00 0.00 0.00 175.76 176.02 2jwn s PRO 4 N -2.03 3.45 -0.43 0.00 0.04 -1.26 -4.91 135.00 129.86 2jwn s PRO 4 Ca 0.50 2.29 -0.28 0.00 0.04 0.00 0.00 61.00 63.55 2jwn s PRO 4 Cb -0.20 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2jwn s PRO 4 CO 0.25 -0.96 1.53 0.00 0.04 0.00 0.00 177.00 177.86 2jwn s MET 6 N 5.31 3.84 -0.04 0.00 -1.94 -1.26 -5.08 119.30 120.14 2jwn s MET 6 Ca 0.65 0.52 0.06 0.00 -1.71 0.00 0.00 55.69 55.21 2jwn s MET 6 Cb -0.15 -2.40 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 2jwn s MET 6 CO 0.31 0.02 -0.22 -0.65 -0.01 0.00 0.00 175.02 174.46 2jwn s GLN 7 N -3.60 2.10 -0.28 2.03 -1.52 -1.26 -5.08 119.66 112.05 2jwn s GLN 7 Ca 0.52 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 2jwn s GLN 7 Cb -0.10 -1.88 0.15 0.00 -0.22 0.00 0.00 33.01 30.96 2jwn s GLN 7 CO 0.27 0.40 0.38 -0.08 -0.25 0.00 0.00 175.29 176.01 2jwn s THR 8 N -0.28 -0.58 -0.03 -0.19 -1.32 -1.26 -5.14 115.64 106.84 2jwn s THR 8 Ca 0.02 -0.28 -0.21 0.00 -1.21 0.00 0.00 61.69 60.00 2jwn s THR 8 Cb -0.11 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2jwn s THR 8 CO 0.01 -0.28 0.62 0.42 -2.21 0.00 0.00 174.62 173.18 2jwn s THR 9 N 2.51 4.97 0.51 5.08 -4.23 -1.26 -5.06 115.64 118.16 2jwn s THR 9 Ca 0.10 1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.89 2jwn s THR 9 Cb -0.13 -3.96 0.01 0.00 1.34 0.00 0.00 72.50 69.75 2jwn s THR 9 CO -0.27 0.36 0.76 -1.00 -0.54 0.00 0.00 174.62 173.93 2jwn s HIS 10 N 0.20 3.19 0.45 3.99 3.76 -1.26 -5.07 115.29 120.55 2jwn s HIS 10 Ca 0.33 0.35 -0.16 0.00 -0.15 0.00 0.00 55.06 55.43 2jwn s HIS 10 Cb -0.18 -2.52 -0.08 0.00 1.11 0.00 0.00 32.58 30.91 2jwn s HIS 10 CO 0.17 -0.58 0.89 0.45 -0.85 0.00 0.00 174.74 174.82 2jwn s SER 11 N -4.27 6.69 0.64 1.40 0.15 -1.26 -5.06 113.70 111.98 2jwn s SER 11 Ca 0.51 1.46 -0.04 0.00 0.70 0.00 0.00 55.95 58.57 2jwn s SER 11 Cb -0.10 -2.45 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2jwn s SER 11 CO 0.40 -0.44 0.93 -0.54 1.20 0.00 0.00 173.24 174.79 2jwn s LYS 12 N -3.68 2.45 -0.80 5.44 -0.14 -1.26 -4.96 119.74 116.79 2jwn s LYS 12 Ca 0.57 -0.33 -0.25 0.00 -1.36 0.00 0.00 55.97 54.60 2jwn s LYS 12 Cb -0.10 -2.27 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 2jwn s LYS 12 CO 0.26 -0.98 1.80 -1.64 -0.76 0.00 0.00 175.35 174.03 2jwn s MET 13 N -5.06 2.75 0.07 1.68 -1.94 -1.26 -4.95 119.30 110.59 2jwn s MET 13 Ca 0.58 -0.07 -0.28 0.00 -1.71 0.00 0.00 55.69 54.21 2jwn s MET 13 Cb -0.11 -4.79 -0.05 0.00 2.01 0.00 0.00 34.83 31.89 2jwn s MET 13 CO 0.43 -2.92 0.87 0.95 -0.01 0.00 0.00 175.02 174.35 2jwn s THR 14 N 8.79 4.64 0.47 2.05 -4.23 -1.26 -5.06 115.64 121.04 2jwn s THR 14 Ca 0.63 1.87 0.06 0.00 -1.18 0.00 0.00 61.69 63.08 2jwn s THR 14 Cb -0.08 -4.23 0.02 0.00 1.34 0.00 0.00 72.50 69.56 2jwn s THR 14 CO 0.07 0.32 0.64 0.00 -0.54 0.00 0.00 174.62 175.12 2jwn s ALA 15 N 0.08 4.38 0.00 3.99 0.00 -1.26 -4.74 121.76 124.22 2jwn s ALA 15 Ca 0.44 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2jwn s ALA 15 Cb -0.22 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2jwn s ALA 15 CO 0.26 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2jwn n GLY 16 N -2.02 0.99 3.25 0.00 0.00 -1.26 -5.06 105.19 101.09 2jwn n GLY 16 Ca 0.09 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.47 3.20 0.09 4.61 0.00 -1.26 -4.84 121.76 121.08 2jwn s ALA 17 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.86 2jwn s ALA 17 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.62 2jwn s ALA 17 CO 0.00 -1.58 0.00 0.66 0.00 0.00 0.00 175.76 174.84 2jwn n TYR 18 N 4.84 -0.72 -4.16 0.00 4.01 -1.26 -5.12 117.16 114.74 2jwn n TYR 18 Ca -0.10 0.13 -0.16 0.00 -0.16 0.00 0.00 57.90 57.61 2jwn n TYR 18 Cb 0.43 0.44 -0.13 0.00 -0.31 0.00 0.00 39.34 39.77 2jwn n TYR 18 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2jwn s THR 19 N -2.00 0.63 0.00 -0.72 -1.32 -1.26 -4.99 115.64 105.99 2jwn s THR 19 Ca 0.00 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 2jwn s THR 19 Cb 0.00 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 2jwn s THR 19 CO 0.00 -0.13 0.00 -0.62 -2.21 0.00 0.00 174.62 171.66 2jwn n GLU 20 N 2.05 5.10 0.00 7.08 1.02 -1.26 -5.15 120.64 129.48 2jwn n GLU 20 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2jwn n GLU 20 Cb 0.56 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 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 0.36 -1.50 0.37 0.62 0.00 -1.26 -4.32 105.19 99.47 2jwn n GLY 21 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 1.16 -6.93 1.61 0.11 -2.06 -3.46 132.00 122.44 2jwn h PRO 22 Ca 0.00 -0.07 -0.45 0.00 0.11 0.00 0.00 66.00 65.59 2jwn h PRO 22 Cb 0.00 -0.26 0.05 0.00 0.11 0.00 0.00 31.00 30.90 2jwn h PRO 22 CO 0.00 0.77 0.03 -1.25 -0.21 0.00 0.00 178.00 177.34 2jwn s PRO 23 N -6.04 2.70 -0.31 1.05 0.04 -1.26 -5.04 135.00 126.14 2jwn s PRO 23 Ca -0.12 -0.47 -0.17 0.00 0.04 0.00 0.00 61.00 60.27 2jwn s PRO 23 Cb 0.20 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2jwn s PRO 23 CO 0.81 -0.68 0.48 -0.65 0.04 0.00 0.00 177.00 177.00 2jwn s GLN 24 N -4.83 3.81 -0.79 4.56 -0.21 -1.26 -4.99 119.66 115.95 2jwn s GLN 24 Ca 0.55 -0.01 -0.23 0.00 0.02 0.00 0.00 55.36 55.69 2jwn s GLN 24 Cb -0.10 -3.74 0.07 0.00 1.00 0.00 0.00 33.01 30.24 2jwn s GLN 24 CO 0.41 -0.49 1.16 -1.25 -2.12 0.00 0.00 175.29 172.99 2jwn s PRO 25 N 2.29 3.30 0.20 2.91 0.04 -1.26 -4.94 135.00 137.54 2jwn s PRO 25 Ca 0.18 -0.90 -0.03 0.00 0.04 0.00 0.00 61.00 60.29 2jwn s PRO 25 Cb -0.16 -4.53 -0.03 0.00 0.04 0.00 0.00 34.50 29.82 2jwn s PRO 25 CO 0.11 -1.96 0.18 -0.51 0.04 0.00 0.00 177.00 174.87 2jwn s LEU 26 N 4.39 1.06 0.47 -3.56 1.02 -1.26 -5.14 118.68 115.65 2jwn s LEU 26 Ca 0.31 -1.29 -0.21 0.00 0.02 0.00 0.00 54.13 52.96 2jwn s LEU 26 Cb -0.10 0.62 -0.08 0.00 0.02 0.00 0.00 46.19 46.65 2jwn s LEU 26 CO 0.04 -0.88 1.05 -0.44 0.02 0.00 0.00 176.35 176.15 2jwn s SER 27 N -3.12 6.40 0.23 2.29 0.01 -1.26 -4.90 113.70 113.34 2jwn s SER 27 Ca 0.35 1.99 -0.07 0.00 1.31 0.00 0.00 55.95 59.53 2jwn s SER 27 Cb 0.06 -2.57 0.39 0.00 0.21 0.00 0.00 66.02 64.11 2jwn s SER 27 CO 0.10 -0.74 1.71 0.00 0.41 0.00 0.00 173.24 174.73 2jwn h ALA 28 N 1.80 0.90 -0.66 1.44 0.00 -1.99 -0.80 119.26 119.95 2jwn h ALA 28 Ca -0.49 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2jwn h ALA 28 Cb 1.22 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2jwn h ALA 28 CO 0.60 -0.27 0.35 0.93 0.00 0.00 0.00 179.25 180.86 2jwn h GLU 29 N 0.35 0.92 -0.89 0.00 4.39 -1.99 -0.41 114.58 116.94 2jwn h GLU 29 Ca 0.37 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 2jwn h GLU 29 Cb 0.57 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 2jwn h GLU 29 CO -0.42 0.69 0.48 0.93 -1.16 0.00 0.00 179.01 179.53 2jwn h GLU 30 N 0.93 1.25 -0.11 2.33 3.07 -1.57 -1.95 114.58 118.53 2jwn h GLU 30 Ca 0.23 -0.15 -0.23 0.00 -0.50 0.00 0.00 59.36 58.71 2jwn h GLU 30 Cb 0.04 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 27.72 2jwn h GLU 30 CO -0.04 0.92 -0.82 0.87 -1.40 0.00 0.00 179.01 178.54 2jwn h LYS 31 N 1.25 0.70 -0.83 2.33 1.57 -0.40 -2.63 116.57 118.57 2jwn h LYS 31 Ca 0.31 -0.61 0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2jwn h LYS 31 Cb 0.04 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 2jwn h LYS 31 CO -0.05 1.22 0.54 0.87 -0.57 0.00 0.00 179.45 181.46 2jwn h LYS 32 N 0.46 1.03 -0.48 3.15 1.57 -0.96 -2.51 116.57 118.83 2jwn h LYS 32 Ca -0.06 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 2jwn h LYS 32 Cb 1.45 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2jwn h LYS 32 CO 0.16 0.68 -0.14 0.93 -0.57 0.00 0.00 179.45 180.52 2jwn h GLU 33 N 1.06 0.95 -0.15 3.15 4.39 -1.25 -3.23 114.58 119.50 2jwn h GLU 33 Ca 0.32 -0.37 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 2jwn h GLU 33 Cb -0.05 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2jwn h GLU 33 CO -0.10 1.04 -0.48 -0.84 -1.16 0.00 0.00 179.01 177.47 2jwn h ILE 34 N 0.80 1.33 -0.08 3.13 3.07 -1.27 -2.86 117.51 121.63 2jwn h ILE 34 Ca 0.12 -1.70 -0.09 0.00 1.55 0.00 0.00 64.86 64.74 2jwn h ILE 34 Cb 0.70 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 2jwn h ILE 34 CO 0.05 0.52 -0.34 0.44 -1.05 0.00 0.00 178.15 177.77 2jwn h ASP 35 N 0.32 0.16 0.79 2.16 3.32 -1.48 -2.30 116.42 119.40 2jwn h ASP 35 Ca 0.02 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2jwn h ASP 35 Cb 0.97 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2jwn h ASP 35 CO 0.08 0.50 -0.21 0.11 -1.72 0.00 0.00 179.24 178.00 2jwn h LYS 36 N 0.14 0.00 -0.34 3.56 1.57 -1.52 -2.82 116.57 117.16 2jwn h LYS 36 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2jwn h LYS 36 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2jwn h LYS 36 CO 0.05 0.21 0.00 0.54 -0.57 0.00 0.00 179.45 179.68 2jwn n ARG 37 N -3.45 3.13 -4.17 3.15 1.74 -0.90 -4.91 116.66 111.25 2jwn n ARG 37 Ca -0.00 -2.67 -0.22 0.00 -0.77 0.00 0.00 57.85 54.18 2jwn n ARG 37 Cb 0.39 -1.73 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.53 5.24 0.11 0.55 0.15 -1.02 -0.56 113.70 116.65 2jwn s SER 38 Ca 0.39 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 2jwn s SER 38 Cb 0.29 -1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 2jwn s SER 38 CO 0.12 -0.02 0.04 0.68 1.20 0.00 0.00 173.24 175.27 2jwn s VAL 39 N -2.16 0.14 -0.19 4.45 -7.23 0.02 -1.12 120.40 114.30 2jwn s VAL 39 Ca 0.32 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.58 2jwn s VAL 39 Cb -0.08 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2jwn s VAL 39 CO 0.23 -0.62 0.03 -0.47 -0.31 0.00 0.00 175.10 173.97 2jwn s TYR 40 N -4.00 3.15 -0.22 2.82 5.04 0.21 -1.57 117.35 122.78 2jwn s TYR 40 Ca 0.19 -0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.70 2jwn s TYR 40 Cb 0.07 -2.07 0.03 0.00 0.35 0.00 0.00 41.96 40.35 2jwn s TYR 40 CO -0.02 0.01 -0.14 0.08 -1.34 0.00 0.00 175.55 174.14 2jwn s VAL 41 N 0.57 2.28 0.38 3.14 1.01 0.30 -0.72 120.40 127.36 2jwn s VAL 41 Ca 0.01 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 60.92 2jwn s VAL 41 Cb -0.13 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2jwn s VAL 41 CO 0.02 0.30 0.27 -0.83 0.00 0.00 0.00 175.10 174.86 2jwn s GLY 42 N 1.24 2.02 -0.98 4.51 0.00 0.12 0.36 107.32 114.60 2jwn s GLY 42 Ca -0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 44.72 42.83 2jwn s GLY 42 CO -0.09 -1.71 0.87 -2.01 0.00 0.00 0.00 173.10 170.16 2jwn n ASN 43 N -1.36 -6.90 -4.37 1.64 5.15 -1.05 -2.70 115.26 105.66 2jwn n ASN 43 Ca -0.00 -0.57 -0.33 0.00 -0.60 0.00 0.00 54.58 53.08 2jwn n ASN 43 Cb 0.61 -5.22 -0.14 0.00 -0.53 0.00 0.00 39.78 34.50 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 -3.30 2.99 0.32 3.44 0.11 -0.55 -4.68 120.40 118.72 2jwn s VAL 44 Ca 0.36 -0.69 0.09 0.00 -2.93 0.00 0.00 61.98 58.81 2jwn s VAL 44 Cb -0.05 -2.24 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 2jwn s VAL 44 CO 0.74 0.53 0.03 -1.81 -3.33 0.00 0.00 175.10 171.27 2jwn s ASP 45 N 0.22 4.37 0.02 3.54 1.11 -1.26 -1.18 116.67 123.48 2jwn s ASP 45 Ca -0.09 -0.85 -0.34 0.00 0.18 0.00 0.00 52.55 51.46 2jwn s ASP 45 Cb -0.15 -0.65 -0.12 0.00 1.07 0.00 0.00 42.92 43.06 2jwn s ASP 45 CO 0.05 -0.18 1.78 -1.22 1.18 0.00 0.00 175.17 176.79 2jwn n TYR 46 N -0.97 2.35 0.00 4.23 4.01 -1.26 -3.03 117.16 122.48 2jwn n TYR 46 Ca -0.05 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jwn n TYR 46 Cb 0.61 -2.64 0.00 0.00 -0.31 0.00 0.00 39.34 37.00 2jwn n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jwn n GLY 47 N 4.08 3.08 3.79 2.72 0.00 -1.26 -5.09 105.19 112.50 2jwn n GLY 47 Ca 0.20 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2jwn n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 48 N 0.00 6.77 0.54 1.61 0.01 -1.17 -5.04 113.70 116.42 2jwn s SER 48 Ca 0.00 0.91 0.04 0.00 1.31 0.00 0.00 55.95 58.21 2jwn s SER 48 Cb 0.00 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.99 2jwn s SER 48 CO 0.00 0.20 0.32 0.42 0.41 0.00 0.00 173.24 174.58 2jwn s THR 49 N -0.41 1.49 0.25 1.44 -4.23 -1.26 -4.93 115.64 107.99 2jwn s THR 49 Ca 0.24 -1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 59.09 2jwn s THR 49 Cb -0.16 -2.10 0.21 0.00 1.34 0.00 0.00 72.50 71.79 2jwn s THR 49 CO 0.12 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.07 2jwn h ALA 50 N 0.86 1.21 -0.42 3.99 0.00 -1.99 -1.40 119.26 121.52 2jwn h ALA 50 Ca -0.38 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2jwn h ALA 50 Cb 1.31 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2jwn h ALA 50 CO 0.61 0.63 0.21 0.37 0.00 0.00 0.00 179.25 181.07 2jwn h GLN 51 N 1.17 0.42 -0.98 0.00 4.15 -1.98 0.26 115.11 118.15 2jwn h GLN 51 Ca 0.29 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.73 2jwn h GLN 51 Cb 0.05 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.59 2jwn h GLN 51 CO -0.04 0.28 0.64 -0.44 -1.93 0.00 0.00 178.83 177.33 2jwn h ASP 52 N 0.43 1.06 -0.07 -0.69 5.19 -1.77 -0.61 116.42 119.97 2jwn h ASP 52 Ca 0.18 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 2jwn h ASP 52 Cb 0.07 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 2jwn h ASP 52 CO -0.12 0.72 -0.07 -0.07 -3.12 0.00 0.00 179.24 176.58 2jwn h LEU 53 N 1.22 0.17 0.03 1.55 3.38 -0.89 -2.51 115.31 118.26 2jwn h LEU 53 Ca 0.39 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jwn h LEU 53 Cb 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jwn h LEU 53 CO -0.13 0.63 -0.01 -0.08 0.09 0.00 0.00 178.44 178.94 2jwn h GLU 54 N -0.28 -0.03 -0.76 1.13 4.81 -0.16 -0.96 114.58 118.33 2jwn h GLU 54 Ca 0.01 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2jwn h GLU 54 Cb 0.58 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 2jwn h GLU 54 CO 0.02 0.00 0.49 0.00 -0.73 0.00 0.00 179.01 178.79 2jwn h ALA 55 N 0.91 0.98 -0.54 2.92 0.00 -1.19 0.60 119.26 122.94 2jwn h ALA 55 Ca -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2jwn h ALA 55 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jwn h ALA 55 CO 0.01 0.33 -0.12 1.25 0.00 0.00 0.00 179.25 180.72 2jwn h HIS 56 N 0.98 1.15 0.00 0.00 -0.00 -1.18 -2.41 115.15 113.69 2jwn h HIS 56 Ca 0.29 -0.24 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 2jwn h HIS 56 Cb -0.05 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.08 2jwn h HIS 56 CO -0.03 1.06 -0.34 0.74 -0.00 0.00 0.00 177.93 179.37 2jwn h PHE 57 N 0.91 0.00 0.00 5.26 0.04 -0.79 -3.28 116.94 119.08 2jwn h PHE 57 Ca 0.14 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 2jwn h PHE 57 Cb 0.68 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2jwn h PHE 57 CO 0.05 0.14 -0.23 1.03 -0.60 0.00 0.00 178.31 178.70 2jwn h SER 58 N 0.00 0.00 -0.03 2.17 0.87 0.69 -0.31 113.55 116.95 2jwn h SER 58 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2jwn h SER 58 Cb 1.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2jwn h SER 58 CO 0.02 0.23 0.02 0.28 -0.53 0.00 0.00 176.83 176.84 2jwn h SER 59 N 0.00 0.04 -0.08 6.23 0.02 -1.56 -2.04 113.55 116.16 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 0.69 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2jwn h SER 59 CO 0.03 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 2jwn n GLY 61 N 1.18 0.36 3.64 0.00 0.00 -0.77 -4.15 105.19 105.46 2jwn n GLY 61 Ca 0.18 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 2jwn n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jwn s SER 62 N -4.00 5.52 -0.12 1.61 0.15 -1.26 -4.25 113.70 111.34 2jwn s SER 62 Ca 0.00 0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 2jwn s SER 62 Cb 0.00 -1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 62.39 2jwn s SER 62 CO 0.00 0.23 0.22 -0.63 1.20 0.00 0.00 173.24 174.26 2jwn s ILE 63 N 0.04 5.35 -0.22 6.45 1.01 -1.26 0.07 121.20 132.65 2jwn s ILE 63 Ca 0.05 0.40 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 2jwn s ILE 63 Cb -0.12 -3.53 -0.19 0.00 0.01 0.00 0.00 42.46 38.63 2jwn s ILE 63 CO 0.01 0.52 -0.04 0.59 0.00 0.00 0.00 174.94 176.02 2jwn n ASN 64 N 2.64 2.01 -3.70 3.58 3.02 0.78 -4.84 115.26 118.75 2jwn n ASN 64 Ca -0.16 0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.35 2jwn n ASN 64 Cb 0.53 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jwn s ARG 65 N -2.52 1.16 -0.08 3.52 0.52 -1.10 -5.03 118.95 115.42 2jwn s ARG 65 Ca -0.31 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 53.99 2jwn s ARG 65 Cb 0.09 0.47 0.03 0.00 0.52 0.00 0.00 34.95 36.06 2jwn s ARG 65 CO 0.63 -0.46 0.29 0.96 0.02 0.00 0.00 175.30 176.74 2jwn s ILE 66 N -3.84 0.02 -0.10 1.52 -4.36 -1.26 -0.29 121.20 112.89 2jwn s ILE 66 Ca 0.06 -0.14 0.02 0.00 -0.26 0.00 0.00 60.65 60.33 2jwn s ILE 66 Cb 0.01 -0.46 0.01 0.00 1.25 0.00 0.00 42.46 43.27 2jwn s ILE 66 CO -0.08 -0.08 -0.16 -0.89 0.24 0.00 0.00 174.94 173.97 2jwn s THR 67 N -0.25 1.51 -0.12 8.37 2.01 0.67 -4.97 115.64 122.85 2jwn s THR 67 Ca -0.04 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.30 2jwn s THR 67 Cb -0.03 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.14 2jwn s THR 67 CO 0.01 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.62 2jwn s ILE 68 N 0.79 1.44 -0.12 1.82 1.09 -1.26 0.55 121.20 125.51 2jwn s ILE 68 Ca -0.11 -0.58 0.03 0.00 -1.10 0.00 0.00 60.65 58.89 2jwn s ILE 68 Cb -0.16 -1.35 0.01 0.00 -1.06 0.00 0.00 42.46 39.90 2jwn s ILE 68 CO 0.02 0.43 -0.21 -1.48 -0.10 0.00 0.00 174.94 173.60 2jwn s LEU 69 N 1.27 2.02 -0.08 2.97 2.34 0.60 -4.98 118.68 122.82 2jwn s LEU 69 Ca -0.01 -0.55 0.03 0.00 0.06 0.00 0.00 54.13 53.66 2jwn s LEU 69 Cb -0.14 -1.35 -0.02 0.00 -0.56 0.00 0.00 46.19 44.12 2jwn s LEU 69 CO -0.06 0.08 -0.18 0.00 -1.06 0.00 0.00 176.35 175.13 2jwn s ASP 71 N -0.13 2.37 -0.10 0.00 1.47 -0.70 -4.90 116.67 114.67 2jwn s ASP 71 Ca -0.03 -0.77 0.15 0.00 1.18 0.00 0.00 52.55 53.08 2jwn s ASP 71 Cb -0.14 -0.12 0.23 0.00 -0.34 0.00 0.00 42.92 42.55 2jwn s ASP 71 CO 0.04 -0.04 1.11 0.29 0.68 0.00 0.00 175.17 177.26 2jwn n LYS 72 N 0.70 1.34 0.27 2.11 4.01 -1.26 0.58 118.16 125.91 2jwn n LYS 72 Ca -0.17 -2.31 0.16 0.00 -0.51 0.00 0.00 58.31 55.49 2jwn n LYS 72 Cb 0.56 -1.35 0.73 0.00 -0.51 0.00 0.00 35.03 34.45 2jwn n LYS 72 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2jwn h PHE 73 N 0.00 0.00 -0.04 2.13 -5.15 -1.95 0.30 116.94 112.23 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 0.98 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.15 2jwn h PHE 73 CO 0.01 0.07 0.00 0.43 -2.00 0.00 0.00 178.31 176.82 2jwn n SER 74 N -3.27 0.72 0.00 -0.68 7.64 -1.26 -4.91 113.62 111.85 2jwn n SER 74 Ca -0.01 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.48 2jwn n SER 74 Cb 0.28 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 1.01 2.54 3.88 0.23 0.00 0.10 -4.97 105.19 107.98 2jwn n GLY 75 Ca 0.18 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2jwn n GLY 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jwn s HIS 76 N -0.43 3.59 -0.11 1.61 5.65 -1.26 -4.89 115.29 119.44 2jwn s HIS 76 Ca 0.00 0.61 -0.29 0.00 0.25 0.00 0.00 55.06 55.62 2jwn s HIS 76 Cb 0.00 -2.01 -0.05 0.00 -1.18 0.00 0.00 32.58 29.33 2jwn s HIS 76 CO 0.00 0.61 1.79 -1.25 -0.65 0.00 0.00 174.74 175.24 2jwn s PRO 77 N -1.70 3.89 0.00 2.88 0.04 -1.25 -4.10 135.00 134.75 2jwn s PRO 77 Ca 0.27 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2jwn s PRO 77 Cb -0.13 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2jwn s PRO 77 CO 0.15 -1.20 0.00 1.63 0.04 0.00 0.00 177.00 177.62 2jwn n LYS 78 N 7.63 2.99 0.00 4.56 5.02 0.20 -4.69 118.16 133.87 2jwn n LYS 78 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2jwn n LYS 78 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 2jwn n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jwn n GLY 79 N 4.29 1.62 3.29 0.72 0.00 -0.33 -1.73 105.19 113.05 2jwn n GLY 79 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 2jwn n GLY 79 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jwn s TYR 80 N -2.00 -0.31 0.04 1.61 1.13 0.18 -1.49 117.35 116.52 2jwn s TYR 80 Ca 0.00 0.57 0.02 0.00 -1.41 0.00 0.00 57.07 56.25 2jwn s TYR 80 Cb 0.00 0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.99 2jwn s TYR 80 CO 0.00 -0.38 -0.08 0.00 -2.51 0.00 0.00 175.55 172.58 2jwn s ALA 81 N -0.97 0.58 -0.17 9.51 0.00 0.16 -0.29 121.76 130.58 2jwn s ALA 81 Ca -0.10 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2jwn s ALA 81 Cb -0.04 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2jwn s ALA 81 CO 0.04 -0.04 -0.18 0.71 0.00 0.00 0.00 175.76 176.29 2jwn s TYR 82 N -1.52 2.77 -0.19 0.00 1.51 0.19 0.11 117.35 120.22 2jwn s TYR 82 Ca -0.09 -1.44 -0.06 0.00 -1.01 0.00 0.00 57.07 54.47 2jwn s TYR 82 Cb -0.09 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 2jwn s TYR 82 CO 0.00 -0.70 0.04 0.42 -1.11 0.00 0.00 175.55 174.20 2jwn s ILE 83 N 1.14 4.45 -0.24 2.71 -1.09 -0.61 -0.24 121.20 127.33 2jwn s ILE 83 Ca 0.01 -0.15 -0.05 0.00 -2.23 0.00 0.00 60.65 58.23 2jwn s ILE 83 Cb -0.14 -3.01 -0.01 0.00 -1.58 0.00 0.00 42.46 37.72 2jwn s ILE 83 CO -0.08 0.44 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.46 2jwn s GLU 84 N 0.63 3.39 0.38 2.79 2.02 0.60 -0.80 118.70 127.70 2jwn s GLU 84 Ca 0.02 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.39 2jwn s GLU 84 Cb -0.13 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 2jwn s GLU 84 CO 0.02 -0.23 0.57 -0.06 0.02 0.00 0.00 175.26 175.58 2jwn s PHE 85 N 1.51 3.32 0.03 1.61 0.08 0.28 -0.16 117.98 124.65 2jwn s PHE 85 Ca 0.05 0.18 0.10 0.00 0.12 0.00 0.00 56.93 57.38 2jwn s PHE 85 Cb -0.15 -2.06 -0.13 0.00 -0.57 0.00 0.00 43.02 40.12 2jwn s PHE 85 CO -0.01 -0.07 1.32 0.00 -0.10 0.00 0.00 175.22 176.35 2jwn h ALA 86 N 0.66 0.46 -3.76 5.36 0.00 -0.65 -3.43 119.26 117.90 2jwn h ALA 86 Ca -0.48 -0.78 -0.62 0.00 0.00 0.00 0.00 54.91 53.03 2jwn h ALA 86 Cb 1.24 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 2jwn h ALA 86 CO 0.58 1.07 -0.85 -2.00 0.00 0.00 0.00 179.25 178.05 2jwn s GLU 87 N -2.78 1.25 0.29 0.00 -6.30 -1.26 -5.01 118.70 104.88 2jwn s GLU 87 Ca 0.02 -1.25 0.06 0.00 -2.50 0.00 0.00 54.97 51.30 2jwn s GLU 87 Cb 0.09 -1.62 0.43 0.00 0.00 0.00 0.00 34.13 33.04 2jwn s GLU 87 CO 0.80 0.38 1.69 0.00 0.02 0.00 0.00 175.26 178.15 2jwn h ARG 88 N 3.97 0.27 0.00 4.30 2.47 -1.91 -2.27 114.38 121.21 2jwn h ARG 88 Ca -0.48 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.05 2jwn h ARG 88 Cb 1.18 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 2jwn h ARG 88 CO 0.39 0.64 -0.30 -0.91 0.56 0.00 0.00 179.97 180.35 2jwn h ASN 89 N 0.22 0.00 -0.31 7.04 2.35 -1.95 -1.97 115.58 120.96 2jwn h ASN 89 Ca 0.02 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.60 2jwn h ASN 89 Cb 0.83 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 2jwn h ASN 89 CO 0.07 0.30 -0.44 0.28 -1.65 0.00 0.00 177.43 175.99 2jwn h SER 90 N 0.00 0.95 -0.51 5.81 0.02 -1.57 -1.66 113.55 116.58 2jwn h SER 90 Ca -0.00 -0.46 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 2jwn h SER 90 Cb 0.58 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2jwn h SER 90 CO 0.04 1.24 -0.03 1.62 -1.14 0.00 0.00 176.83 178.56 2jwn h VAL 91 N 0.70 1.26 -0.00 2.27 3.04 -1.19 -0.95 116.25 121.38 2jwn h VAL 91 Ca 0.05 -1.15 -0.07 0.00 -1.01 0.00 0.00 66.70 64.51 2jwn h VAL 91 Cb 1.03 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 2jwn h VAL 91 CO 0.10 0.41 -0.35 0.44 -1.01 0.00 0.00 177.57 177.16 2jwn h ASP 92 N 0.88 0.00 0.44 3.17 3.32 -1.24 0.00 116.42 123.00 2jwn h ASP 92 Ca 0.15 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 2jwn h ASP 92 Cb 0.56 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2jwn h ASP 92 CO 0.03 0.35 -0.73 0.00 -1.72 0.00 0.00 179.24 177.18 2jwn h ALA 93 N 1.65 0.69 -0.06 3.45 0.00 -0.76 -3.18 119.26 121.05 2jwn h ALA 93 Ca -0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 2jwn h ALA 93 Cb 0.62 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jwn h ALA 93 CO 0.05 0.81 -0.41 0.00 0.00 0.00 0.00 179.25 179.69 2jwn h ALA 94 N 1.08 0.13 -0.06 0.00 0.00 -0.53 -3.13 119.26 116.75 2jwn h ALA 94 Ca -0.02 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2jwn h ALA 94 Cb 1.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jwn h ALA 94 CO 0.11 0.26 0.15 -0.39 0.00 0.00 0.00 179.25 179.39 2jwn h VAL 95 N -0.10 0.18 0.00 0.00 -1.51 -1.07 0.18 116.25 113.93 2jwn h VAL 95 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.44 2jwn h VAL 95 Cb 1.08 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2jwn h VAL 95 CO 0.08 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 176.42 2jwn h ALA 96 N 1.75 1.00 -0.45 5.19 0.00 -1.52 -0.44 119.26 124.80 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 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 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 -3.09 2.23 -0.34 0.00 2.81 0.05 -4.59 117.12 114.19 2jwn n MET 97 Ca -0.01 -1.89 0.17 0.00 -1.81 0.00 0.00 57.70 54.16 2jwn n MET 97 Cb 0.21 -1.44 0.33 0.00 -0.71 0.00 0.00 33.22 31.61 2jwn n MET 97 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2jwn h ASP 98 N 3.31 -0.38 -3.36 7.83 2.03 -1.16 -3.23 116.42 121.47 2jwn h ASP 98 Ca 0.00 0.28 -0.67 0.00 -0.73 0.00 0.00 57.03 55.91 2jwn h ASP 98 Cb 0.75 0.46 -0.35 0.00 -0.83 0.00 0.00 39.33 39.36 2jwn h ASP 98 CO 0.00 -0.37 -0.82 -0.70 -1.03 0.00 0.00 179.24 176.32 2jwn s GLU 99 N -5.94 2.78 0.17 4.15 2.12 -1.26 -2.18 118.70 118.54 2jwn s GLU 99 Ca -0.12 -0.98 -0.22 0.00 0.36 0.00 0.00 54.97 54.01 2jwn s GLU 99 Cb 0.30 -2.74 0.08 0.00 0.26 0.00 0.00 34.13 32.03 2jwn s GLU 99 CO 0.78 -0.33 1.03 -2.37 -0.54 0.00 0.00 175.26 173.83 2jwn n THR 100 N 4.58 0.00 -4.56 -1.70 5.66 -1.22 -5.04 114.28 112.00 2jwn n THR 100 Ca -0.18 -0.54 -0.33 0.00 -3.05 0.00 0.00 64.05 59.94 2jwn n THR 100 Cb 0.47 0.76 -0.15 0.00 -1.55 0.00 0.00 70.33 69.86 2jwn n THR 100 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2jwn s VAL 101 N -2.06 2.64 -0.06 1.08 0.11 -1.26 -1.66 120.40 119.19 2jwn s VAL 101 Ca 0.23 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 2jwn s VAL 101 Cb -0.03 -2.11 0.02 0.00 -1.53 0.00 0.00 36.38 32.73 2jwn s VAL 101 CO 0.05 0.52 -0.09 0.12 -3.33 0.00 0.00 175.10 172.37 2jwn s PHE 102 N 0.78 1.24 -1.36 1.54 5.36 0.17 -4.74 117.98 120.97 2jwn s PHE 102 Ca -0.06 -0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 55.42 2jwn s PHE 102 Cb -0.15 -0.96 0.02 0.00 -0.34 0.00 0.00 43.02 41.59 2jwn s PHE 102 CO 0.00 -0.27 0.31 -2.13 -1.46 0.00 0.00 175.22 171.67 2jwn n ARG 103 N 3.99 -3.24 -0.61 10.12 0.63 -1.26 -1.13 116.66 125.15 2jwn n ARG 103 Ca -0.22 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 2jwn n ARG 103 Cb 0.51 -5.42 0.00 0.00 0.45 0.00 0.00 32.46 28.00 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 -1.14 1.12 3.36 5.14 0.00 -1.26 -5.03 105.19 107.38 2jwn n GLY 104 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.25 1.34 -0.22 1.61 1.70 -0.28 -5.06 118.95 117.79 2jwn s ARG 105 Ca 0.00 -1.37 -0.27 0.00 -0.47 0.00 0.00 55.73 53.61 2jwn s ARG 105 Cb 0.00 -1.64 0.00 0.00 -0.57 0.00 0.00 34.95 32.74 2jwn s ARG 105 CO 0.00 0.36 0.95 0.99 -1.08 0.00 0.00 175.30 176.53 2jwn s THR 106 N -1.49 4.76 0.45 4.99 2.01 -1.26 0.43 115.64 125.52 2jwn s THR 106 Ca 0.15 1.85 0.08 0.00 0.31 0.00 0.00 61.69 64.07 2jwn s THR 106 Cb -0.08 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2jwn s THR 106 CO 0.07 -0.11 0.53 0.27 -0.69 0.00 0.00 174.62 174.68 2jwn s ILE 107 N 2.91 2.64 -0.04 1.82 -4.36 -0.66 -4.80 121.20 118.69 2jwn s ILE 107 Ca 0.41 -1.16 0.03 0.00 -0.26 0.00 0.00 60.65 59.67 2jwn s ILE 107 Cb -0.15 -2.79 0.01 0.00 1.25 0.00 0.00 42.46 40.77 2jwn s ILE 107 CO 0.08 0.00 -0.12 -0.75 0.24 0.00 0.00 174.94 174.39 2jwn s LYS 108 N -4.32 1.42 -0.18 0.37 2.47 -1.10 -3.73 119.74 114.66 2jwn s LYS 108 Ca 0.52 -0.41 0.00 0.00 -1.56 0.00 0.00 55.97 54.52 2jwn s LYS 108 Cb -0.06 -1.24 0.04 0.00 -1.46 0.00 0.00 37.83 35.11 2jwn s LYS 108 CO 0.31 0.11 -0.07 0.08 0.16 0.00 0.00 175.35 175.95 2jwn s VAL 109 N 0.33 1.32 -0.01 4.02 1.01 -0.93 0.15 120.40 126.29 2jwn s VAL 109 Ca -0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2jwn s VAL 109 Cb -0.12 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2jwn s VAL 109 CO 0.02 0.12 0.10 -1.48 0.00 0.00 0.00 175.10 173.86 2jwn s LEU 110 N 1.54 1.67 0.26 3.92 -0.00 0.10 -4.11 118.68 122.07 2jwn s LEU 110 Ca -0.00 -0.09 -0.30 0.00 -0.00 0.00 0.00 54.13 53.73 2jwn s LEU 110 Cb -0.16 0.47 -0.14 0.00 -0.00 0.00 0.00 46.19 46.37 2jwn s LEU 110 CO -0.08 -0.24 1.20 -2.65 -0.00 0.00 0.00 176.35 174.59 2jwn n PRO 111 N 2.06 1.65 -1.95 1.48 -0.02 -1.26 0.64 135.00 137.60 2jwn n PRO 111 Ca -0.19 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 2jwn n PRO 111 Cb 0.57 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 2jwn n PRO 111 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jwn s LYS 112 N -1.09 2.49 0.00 -0.52 2.20 -0.27 -4.65 119.74 117.90 2jwn s LYS 112 Ca 0.63 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 2jwn s LYS 112 Cb -0.69 -4.55 0.00 0.00 -1.51 0.00 0.00 37.83 31.08 2jwn s LYS 112 CO 0.56 -3.00 0.00 2.89 -0.36 0.00 0.00 175.35 175.44 2jwn n ARG 113 N 9.09 -0.54 0.00 4.03 1.85 -1.26 -4.86 116.66 124.98 2jwn n ARG 113 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 2jwn n ARG 113 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 2jwn n ARG 113 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2jwn n THR 114 N 2.79 -0.60 -1.03 8.89 -1.04 -1.26 -4.92 114.28 117.11 2jwn n THR 114 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2jwn n THR 114 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.16 -3.25 -4.70 8.00 3.02 -1.26 -5.02 115.26 110.89 2jwn n ASN 115 Ca 0.00 0.02 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 2jwn n ASN 115 Cb 0.00 -0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 38.29 2jwn n ASN 115 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2jwn s MET 116 N -1.09 4.36 0.66 3.52 1.75 -1.26 -5.04 119.30 122.20 2jwn s MET 116 Ca 0.00 0.74 -0.18 0.00 -1.25 0.00 0.00 55.69 55.00 2jwn s MET 116 Cb 0.00 -3.48 -0.00 0.00 2.84 0.00 0.00 34.83 34.19 2jwn s MET 116 CO 0.00 -0.00 1.26 -2.30 -0.65 0.00 0.00 175.02 173.33 2jwn n PRO 117 N 4.11 1.01 0.00 4.11 -0.02 -1.26 -4.99 135.00 137.96 2jwn n PRO 117 Ca -0.02 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2jwn n PRO 117 Cb 0.51 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.91 3.68 3.61 -1.23 0.00 -1.26 -5.10 105.19 105.80 2jwn n GLY 118 Ca 0.16 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 2jwn n GLY 118 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jwn n ILE 119 N 0.00 0.46 -3.38 -0.61 -6.64 -1.26 -4.90 119.36 103.03 2jwn n ILE 119 Ca 0.00 -0.30 0.02 0.00 -1.77 0.00 0.00 62.75 60.70 2jwn n ILE 119 Cb 0.00 -2.26 -0.05 0.00 -1.44 0.00 0.00 39.64 35.90 2jwn n ILE 119 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2jwn s SER 120 N 6.56 -0.35 -1.14 7.28 0.15 -1.26 -5.08 113.70 119.86 2jwn s SER 120 Ca 0.98 0.49 -0.19 0.00 0.70 0.00 0.00 55.95 57.94 2jwn s SER 120 Cb -0.50 1.35 0.09 0.00 -1.71 0.00 0.00 66.02 65.25 2jwn s SER 120 CO 0.42 -0.07 1.50 -0.94 1.20 0.00 0.00 173.24 175.34 2jwn s SER 121 N 2.04 6.74 0.39 5.45 1.04 -1.26 -4.98 113.70 123.12 2jwn s SER 121 Ca -0.03 -2.17 -0.20 0.00 0.48 0.00 0.00 55.95 54.03 2jwn s SER 121 Cb -0.04 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 2jwn s SER 121 CO -0.16 -1.18 0.89 0.42 0.98 0.00 0.00 173.24 174.19 2jwn s THR 122 N 3.73 4.45 -0.26 2.02 -4.23 -1.26 -5.06 115.64 115.04 2jwn s THR 122 Ca 0.46 1.37 0.03 0.00 -1.18 0.00 0.00 61.69 62.37 2jwn s THR 122 Cb 0.00 -3.65 0.06 0.00 1.34 0.00 0.00 72.50 70.26 2jwn s THR 122 CO -0.02 -0.23 -0.08 -1.81 -0.54 0.00 0.00 174.62 171.94 2jwn s ASP 123 N -2.13 4.37 0.00 3.99 1.01 -1.26 -5.32 116.67 117.32 2jwn s ASP 123 Ca 0.58 -1.43 0.00 0.00 0.71 0.00 0.00 52.55 52.42 2jwn s ASP 123 Cb -0.10 -1.48 0.00 0.00 1.01 0.00 0.00 42.92 42.34 2jwn s ASP 123 CO 0.15 -0.22 0.27 -1.14 0.21 0.00 0.00 175.17 174.44