#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 4.95 -0.09 0.00 -1.09 -1.26 -5.00 121.20 118.71 2jwn s ILE 2 Ca 0.00 1.37 -0.29 0.00 -2.23 0.00 0.00 60.65 59.49 2jwn s ILE 2 Cb 0.00 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 2jwn s ILE 2 CO 0.00 0.34 1.70 0.00 -1.23 0.00 0.00 174.94 175.74 2jwn s ALA 3 N 0.29 3.50 -0.43 9.38 0.00 -1.26 -4.86 121.76 128.38 2jwn s ALA 3 Ca 0.34 0.86 -0.35 0.00 0.00 0.00 0.00 51.96 52.81 2jwn s ALA 3 Cb -0.18 -3.79 -0.13 0.00 0.00 0.00 0.00 23.12 19.02 2jwn s ALA 3 CO 0.18 -1.60 2.24 -2.30 0.00 0.00 0.00 175.76 174.29 2jwn n PRO 4 N 7.35 0.87 -3.29 0.00 -0.02 -1.26 -4.90 135.00 133.75 2jwn n PRO 4 Ca 0.18 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 2jwn n PRO 4 Cb 0.43 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 2jwn n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jwn s MET 6 N 2.27 3.37 -0.33 0.00 1.75 -1.26 -4.65 119.30 120.45 2jwn s MET 6 Ca 0.17 -1.30 0.02 0.00 -1.25 0.00 0.00 55.69 53.33 2jwn s MET 6 Cb -0.16 -5.35 0.19 0.00 2.84 0.00 0.00 34.83 32.35 2jwn s MET 6 CO 0.12 -2.72 0.74 -1.14 -0.65 0.00 0.00 175.02 171.36 2jwn s GLN 7 N 5.31 0.51 -0.30 4.11 -0.44 -1.26 -5.10 119.66 122.48 2jwn s GLN 7 Ca 0.56 0.19 0.00 0.00 -2.50 0.00 0.00 55.36 53.61 2jwn s GLN 7 Cb 0.00 0.15 0.09 0.00 -1.64 0.00 0.00 33.01 31.62 2jwn s GLN 7 CO 0.02 -0.85 0.07 0.99 0.50 0.00 0.00 175.29 176.02 2jwn s THR 8 N 2.50 1.18 -0.37 -0.34 2.01 -1.26 -5.08 115.64 114.28 2jwn s THR 8 Ca 0.16 -1.53 -0.31 0.00 0.31 0.00 0.00 61.69 60.32 2jwn s THR 8 Cb -0.05 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.52 2jwn s THR 8 CO -0.19 -0.60 2.27 0.41 -0.69 0.00 0.00 174.62 175.83 2jwn n THR 9 N 4.73 0.18 -3.65 -0.82 -1.04 -1.26 -4.93 114.28 107.49 2jwn n THR 9 Ca -0.02 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.05 61.19 2jwn n THR 9 Cb 0.42 -2.11 -0.10 0.00 -1.82 0.00 0.00 70.33 66.73 2jwn n THR 9 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2jwn s HIS 10 N 8.67 3.45 -0.26 -1.42 3.76 -1.26 -5.07 115.29 123.16 2jwn s HIS 10 Ca 1.06 -1.96 -0.19 0.00 -0.15 0.00 0.00 55.06 53.81 2jwn s HIS 10 Cb -0.58 -3.24 -0.02 0.00 1.11 0.00 0.00 32.58 29.86 2jwn s HIS 10 CO 0.40 -0.95 0.58 -1.54 -0.85 0.00 0.00 174.74 172.39 2jwn s SER 11 N 2.23 6.51 -1.33 1.40 1.04 -1.26 -4.96 113.70 117.34 2jwn s SER 11 Ca 0.05 0.60 -0.17 0.00 0.48 0.00 0.00 55.95 56.91 2jwn s SER 11 Cb -0.24 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.60 2jwn s SER 11 CO -0.01 -0.35 1.96 0.29 0.98 0.00 0.00 173.24 176.11 2jwn n LYS 12 N 5.67 2.85 -3.90 4.02 4.01 -1.26 -4.79 118.16 124.76 2jwn n LYS 12 Ca -0.02 -2.87 -0.29 0.00 -0.51 0.00 0.00 58.31 54.62 2jwn n LYS 12 Cb 0.49 -3.40 -0.12 0.00 -0.51 0.00 0.00 35.03 31.49 2jwn n LYS 12 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 2jwn s MET 13 N 4.01 2.36 -0.23 1.97 1.75 -1.26 -5.01 119.30 122.88 2jwn s MET 13 Ca 0.52 -3.09 0.02 0.00 -1.25 0.00 0.00 55.69 51.89 2jwn s MET 13 Cb 0.08 -3.43 0.05 0.00 2.84 0.00 0.00 34.83 34.37 2jwn s MET 13 CO 0.02 -1.23 -0.14 0.99 -0.65 0.00 0.00 175.02 174.01 2jwn s THR 14 N -1.04 2.13 -0.01 10.11 2.01 -1.26 -4.95 115.64 122.63 2jwn s THR 14 Ca 0.22 -1.42 0.19 0.00 0.31 0.00 0.00 61.69 60.99 2jwn s THR 14 Cb -0.12 -2.14 0.14 0.00 0.01 0.00 0.00 72.50 70.38 2jwn s THR 14 CO -0.11 0.15 1.62 0.00 -0.69 0.00 0.00 174.62 175.60 2jwn h ALA 15 N 7.83 0.86 0.00 7.40 0.00 -2.03 -3.49 119.26 129.83 2jwn h ALA 15 Ca -0.27 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2jwn h ALA 15 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jwn h ALA 15 CO 0.52 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2jwn n GLY 16 N 0.68 1.11 0.00 0.00 0.00 -1.26 -4.84 105.19 100.88 2jwn n GLY 16 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2jwn n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwn n ALA 17 N -1.00 0.00 0.03 4.61 0.00 -1.26 -5.11 120.51 117.78 2jwn n ALA 17 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2jwn n ALA 17 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2jwn n ALA 17 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2jwn h TYR 18 N 0.00 -0.09 -2.69 0.00 3.20 -2.02 -3.38 116.97 111.98 2jwn h TYR 18 Ca 0.00 -0.00 -0.60 0.00 3.14 0.00 0.00 58.73 61.26 2jwn h TYR 18 Cb 0.00 0.03 -0.40 0.00 1.54 0.00 0.00 36.73 37.90 2jwn h TYR 18 CO 0.00 -0.05 -0.79 -0.08 -1.64 0.00 0.00 178.16 175.60 2jwn s THR 19 N -3.19 1.50 -0.10 1.81 -1.32 -1.26 -4.80 115.64 108.29 2jwn s THR 19 Ca -0.01 -3.39 0.15 0.00 -1.21 0.00 0.00 61.69 57.23 2jwn s THR 19 Cb 0.00 -2.01 -0.23 0.00 -1.51 0.00 0.00 72.50 68.76 2jwn s THR 19 CO 0.04 -1.13 0.50 -0.62 -2.21 0.00 0.00 174.62 171.20 2jwn n GLU 20 N 2.45 0.65 -0.13 7.08 -0.58 -1.26 -5.08 120.64 123.77 2jwn n GLU 20 Ca 0.25 0.19 0.02 0.00 -0.42 0.00 0.00 57.16 57.20 2jwn n GLU 20 Cb 0.42 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2jwn n GLU 20 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jwn n GLY 21 N 1.59 -1.43 0.37 0.62 0.00 -1.26 -4.27 105.19 100.82 2jwn n GLY 21 Ca -0.21 -1.50 0.22 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.12 0.40 -6.78 1.61 0.11 -2.02 -3.44 132.00 121.76 2jwn h PRO 22 Ca 0.00 -0.02 -0.44 0.00 0.11 0.00 0.00 66.00 65.64 2jwn h PRO 22 Cb 0.12 -0.09 0.04 0.00 0.11 0.00 0.00 31.00 31.18 2jwn h PRO 22 CO 0.00 0.27 -0.06 -1.25 -0.21 0.00 0.00 178.00 176.75 2jwn s PRO 23 N -5.62 2.71 0.05 1.05 0.04 -1.26 -5.10 135.00 126.86 2jwn s PRO 23 Ca -0.10 -0.70 0.06 0.00 0.04 0.00 0.00 61.00 60.30 2jwn s PRO 23 Cb 0.28 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2jwn s PRO 23 CO 0.80 -0.57 -0.16 -0.65 0.04 0.00 0.00 177.00 176.46 2jwn s GLN 24 N -4.69 1.02 -0.68 4.56 -0.21 -1.26 -4.92 119.66 113.48 2jwn s GLN 24 Ca 0.54 -0.83 -0.27 0.00 0.02 0.00 0.00 55.36 54.82 2jwn s GLN 24 Cb -0.10 -1.06 0.03 0.00 1.00 0.00 0.00 33.01 32.87 2jwn s GLN 24 CO 0.38 0.26 1.28 -1.25 -2.12 0.00 0.00 175.29 173.84 2jwn s PRO 25 N -1.24 3.27 -0.04 2.91 0.04 -1.26 -4.97 135.00 133.71 2jwn s PRO 25 Ca 0.03 -0.03 -0.09 0.00 0.04 0.00 0.00 61.00 60.95 2jwn s PRO 25 Cb -0.08 -4.14 0.01 0.00 0.04 0.00 0.00 34.50 30.33 2jwn s PRO 25 CO 0.02 -2.02 0.20 -0.51 0.04 0.00 0.00 177.00 174.72 2jwn s LEU 26 N 5.64 1.27 0.64 -3.56 1.02 -1.26 -5.16 118.68 117.28 2jwn s LEU 26 Ca 0.39 0.13 -0.11 0.00 0.02 0.00 0.00 54.13 54.56 2jwn s LEU 26 Cb -0.08 0.80 -0.03 0.00 0.02 0.00 0.00 46.19 46.90 2jwn s LEU 26 CO 0.19 -0.25 1.04 -0.55 0.02 0.00 0.00 176.35 176.80 2jwn s SER 27 N -0.71 6.02 0.29 2.29 0.15 -1.26 -4.90 113.70 115.58 2jwn s SER 27 Ca -0.08 1.40 0.04 0.00 0.70 0.00 0.00 55.95 58.01 2jwn s SER 27 Cb -0.05 -2.39 0.74 0.00 -1.71 0.00 0.00 66.02 62.61 2jwn s SER 27 CO 0.01 -1.00 1.71 0.00 1.20 0.00 0.00 173.24 175.16 2jwn h ALA 28 N -0.41 1.50 -0.33 5.45 0.00 -1.99 -0.21 119.26 123.26 2jwn h ALA 28 Ca -0.44 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2jwn h ALA 28 Cb 1.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2jwn h ALA 28 CO 0.62 -0.29 -0.21 0.93 0.00 0.00 0.00 179.25 180.30 2jwn h GLU 29 N 0.48 0.63 -0.72 0.00 5.08 -2.00 -0.78 114.58 117.27 2jwn h GLU 29 Ca 0.57 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 2jwn h GLU 29 Cb 1.04 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 2jwn h GLU 29 CO -0.49 0.80 0.47 0.93 -1.00 0.00 0.00 179.01 179.72 2jwn h GLU 30 N 0.56 0.70 -0.56 2.33 3.07 -1.43 -1.81 114.58 117.45 2jwn h GLU 30 Ca 0.09 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 2jwn h GLU 30 Cb 0.66 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 2jwn h GLU 30 CO 0.05 0.47 -0.05 0.87 -1.40 0.00 0.00 179.01 178.94 2jwn h LYS 31 N 0.73 1.02 -0.50 2.33 6.56 -0.33 -1.62 116.57 124.76 2jwn h LYS 31 Ca 0.31 -0.35 -0.09 0.00 -1.06 0.00 0.00 60.65 59.46 2jwn h LYS 31 Cb 0.29 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.85 2jwn h LYS 31 CO -0.10 1.04 -0.05 0.87 -2.06 0.00 0.00 179.45 179.15 2jwn h LYS 32 N 0.91 0.88 -0.24 3.15 6.56 -0.72 -0.35 116.57 126.76 2jwn h LYS 32 Ca 0.15 -0.27 -0.03 0.00 -1.06 0.00 0.00 60.65 59.44 2jwn h LYS 32 Cb 0.61 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 2jwn h LYS 32 CO 0.04 0.91 0.02 0.93 -2.06 0.00 0.00 179.45 179.29 2jwn h GLU 33 N 0.80 0.41 -0.12 3.15 4.39 -1.12 -1.33 114.58 120.75 2jwn h GLU 33 Ca 0.14 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 2jwn h GLU 33 Cb 0.55 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2jwn h GLU 33 CO 0.03 0.56 -0.53 -0.84 -1.16 0.00 0.00 179.01 177.08 2jwn h ILE 34 N 0.20 1.34 -0.56 3.13 3.07 -1.25 -2.98 117.51 120.46 2jwn h ILE 34 Ca 0.07 -1.79 -0.09 0.00 1.55 0.00 0.00 64.86 64.60 2jwn h ILE 34 Cb 0.36 1.83 -0.02 0.00 -0.27 0.00 0.00 36.82 38.72 2jwn h ILE 34 CO 0.01 0.54 -0.02 -0.78 -1.05 0.00 0.00 178.15 176.85 2jwn h ASP 35 N 0.27 0.95 -0.31 2.16 1.82 -0.92 -1.57 116.42 118.82 2jwn h ASP 35 Ca 0.01 -0.26 0.07 0.00 -0.39 0.00 0.00 57.03 56.46 2jwn h ASP 35 Cb 1.01 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.76 2jwn h ASP 35 CO 0.09 1.01 0.22 0.11 -1.61 0.00 0.00 179.24 179.06 2jwn h LYS 36 N 0.89 0.08 -0.48 0.28 1.57 -1.09 -1.20 116.57 116.62 2jwn h LYS 36 Ca 0.16 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2jwn h LYS 36 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jwn h LYS 36 CO 0.03 0.05 0.00 0.54 -0.57 0.00 0.00 179.45 179.50 2jwn n ARG 37 N -4.46 4.03 -3.68 3.15 1.74 -0.64 -4.90 116.66 111.90 2jwn n ARG 37 Ca 0.04 -2.99 -0.34 0.00 -0.77 0.00 0.00 57.85 53.80 2jwn n ARG 37 Cb 0.33 -2.04 -0.05 0.00 -1.02 0.00 0.00 32.46 29.68 2jwn n ARG 37 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jwn s SER 38 N -1.18 6.54 0.20 0.55 0.01 -0.45 -1.08 113.70 118.28 2jwn s SER 38 Ca 0.49 0.64 0.07 0.00 1.31 0.00 0.00 55.95 58.46 2jwn s SER 38 Cb 0.37 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.44 2jwn s SER 38 CO 0.15 0.17 -0.12 0.68 0.41 0.00 0.00 173.24 174.53 2jwn s VAL 39 N -1.44 1.56 -0.19 3.43 -7.23 -0.22 -0.50 120.40 115.81 2jwn s VAL 39 Ca 0.33 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2jwn s VAL 39 Cb -0.13 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 2jwn s VAL 39 CO 0.20 -0.59 -0.02 -0.47 -0.31 0.00 0.00 175.10 173.90 2jwn s TYR 40 N -3.09 3.02 -0.28 2.82 5.04 0.13 -2.23 117.35 122.77 2jwn s TYR 40 Ca 0.22 -0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 54.38 2jwn s TYR 40 Cb 0.01 -2.04 0.04 0.00 0.35 0.00 0.00 41.96 40.32 2jwn s TYR 40 CO 0.06 -0.20 -0.01 0.08 -1.34 0.00 0.00 175.55 174.13 2jwn s VAL 41 N 0.82 3.01 0.44 3.14 1.01 0.14 -1.99 120.40 126.97 2jwn s VAL 41 Ca -0.00 -1.24 0.07 0.00 0.00 0.00 0.00 61.98 60.81 2jwn s VAL 41 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2jwn s VAL 41 CO 0.02 -0.00 0.18 -0.83 0.00 0.00 0.00 175.10 174.47 2jwn s GLY 42 N 1.29 2.41 -1.88 4.51 0.00 0.71 -0.29 107.32 114.06 2jwn s GLY 42 Ca -0.03 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.80 2jwn s GLY 42 CO -0.02 -1.95 0.00 -2.01 0.00 0.00 0.00 173.10 169.12 2jwn n ASN 43 N -1.29 -5.38 -0.85 1.64 5.15 -1.18 -2.48 115.26 110.86 2jwn n ASN 43 Ca -0.03 0.26 0.08 0.00 -0.60 0.00 0.00 54.58 54.29 2jwn n ASN 43 Cb 0.65 -4.64 0.23 0.00 -0.53 0.00 0.00 39.78 35.49 2jwn n ASN 43 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2jwn n VAL 44 N -3.09 0.58 -1.13 3.44 3.14 -1.12 -4.71 118.33 115.43 2jwn n VAL 44 Ca -0.21 -0.61 -0.46 0.00 -2.96 0.00 0.00 64.34 60.10 2jwn n VAL 44 Cb 0.66 0.35 -0.11 0.00 -1.06 0.00 0.00 33.84 33.68 2jwn n VAL 44 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2jwn n ASP 45 N 0.85 0.52 -1.00 6.55 9.92 -1.20 -4.25 116.55 127.94 2jwn n ASP 45 Ca 0.16 0.45 0.09 0.00 -0.53 0.00 0.00 54.79 54.96 2jwn n ASP 45 Cb 0.40 -0.77 -0.05 0.00 -0.64 0.00 0.00 41.12 40.06 2jwn n ASP 45 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2jwn n TYR 46 N 7.21 -2.00 0.00 1.24 4.01 -1.26 -4.74 117.16 121.61 2jwn n TYR 46 Ca 0.50 1.09 0.00 0.00 -0.16 0.00 0.00 57.90 59.33 2jwn n TYR 46 Cb -0.02 -1.82 0.00 0.00 -0.31 0.00 0.00 39.34 37.19 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 -3.57 1.53 3.65 2.72 0.00 -1.26 -4.92 105.19 103.34 2jwn n GLY 47 Ca -0.04 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 0.01 6.90 0.29 1.61 0.01 -1.26 -5.03 113.70 116.24 2jwn s SER 48 Ca 0.00 1.43 0.06 0.00 1.31 0.00 0.00 55.95 58.75 2jwn s SER 48 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2jwn s SER 48 CO 0.00 -0.84 0.41 0.42 0.41 0.00 0.00 173.24 173.63 2jwn s THR 49 N 3.69 4.52 0.02 1.44 -4.23 -1.26 -4.99 115.64 114.83 2jwn s THR 49 Ca 0.52 -1.03 -0.25 0.00 -1.18 0.00 0.00 61.69 59.75 2jwn s THR 49 Cb -0.18 -3.57 -0.18 0.00 1.34 0.00 0.00 72.50 69.91 2jwn s THR 49 CO 0.15 -0.23 1.45 0.00 -0.54 0.00 0.00 174.62 175.45 2jwn h ALA 50 N 1.04 -0.02 -0.91 3.99 0.00 -1.99 -1.01 119.26 120.36 2jwn h ALA 50 Ca -0.48 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.34 2jwn h ALA 50 Cb 1.25 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2jwn h ALA 50 CO 0.57 -0.37 0.59 -0.56 0.00 0.00 0.00 179.25 179.48 2jwn h GLN 51 N -0.32 1.03 -0.30 0.00 3.07 -1.98 0.15 115.11 116.76 2jwn h GLN 51 Ca -0.00 -0.06 -0.15 0.00 0.09 0.00 0.00 58.65 58.53 2jwn h GLN 51 Cb 0.30 -0.23 -0.01 0.00 0.08 0.00 0.00 27.48 27.62 2jwn h GLN 51 CO 0.00 0.68 -0.40 0.22 0.09 0.00 0.00 178.83 179.42 2jwn h ASP 52 N 1.07 0.78 -0.12 0.06 3.58 -1.93 -0.05 116.42 119.80 2jwn h ASP 52 Ca 0.38 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2jwn h ASP 52 Cb 0.15 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 2jwn h ASP 52 CO -0.14 1.09 -0.05 -0.07 -2.88 0.00 0.00 179.24 177.19 2jwn h LEU 53 N 0.60 0.25 -0.16 2.28 3.38 -0.50 -1.20 115.31 119.97 2jwn h LEU 53 Ca 0.05 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2jwn h LEU 53 Cb 0.95 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2jwn h LEU 53 CO 0.09 0.60 0.08 -0.08 0.09 0.00 0.00 178.44 179.22 2jwn h GLU 54 N -0.10 0.22 -0.90 1.13 4.22 -0.67 -1.02 114.58 117.47 2jwn h GLU 54 Ca 0.03 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.48 2jwn h GLU 54 Cb 0.51 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2jwn h GLU 54 CO 0.02 0.24 0.58 0.00 -2.18 0.00 0.00 179.01 177.67 2jwn h ALA 55 N 0.97 1.19 -0.62 2.92 0.00 -1.00 0.36 119.26 123.08 2jwn h ALA 55 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2jwn h ALA 55 Cb 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jwn h ALA 55 CO -0.01 0.42 0.03 1.25 0.00 0.00 0.00 179.25 180.95 2jwn h HIS 56 N 1.12 1.15 0.00 0.00 -0.00 -0.72 -2.19 115.15 114.51 2jwn h HIS 56 Ca 0.36 -0.19 -0.03 0.00 -0.00 0.00 0.00 60.37 60.51 2jwn h HIS 56 Cb 0.03 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 2jwn h HIS 56 CO -0.02 1.00 -0.38 0.74 -0.00 0.00 0.00 177.93 179.28 2jwn h PHE 57 N 0.98 0.00 0.00 5.26 0.04 -0.82 -3.28 116.94 119.13 2jwn h PHE 57 Ca 0.18 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 2jwn h PHE 57 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2jwn h PHE 57 CO 0.04 0.15 -0.21 1.03 -0.60 0.00 0.00 178.31 178.72 2jwn h SER 58 N 0.00 0.00 0.09 2.17 0.87 0.35 0.35 113.55 117.38 2jwn h SER 58 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2jwn h SER 58 Cb 1.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2jwn h SER 58 CO 0.02 0.21 -0.10 0.28 -0.53 0.00 0.00 176.83 176.71 2jwn h SER 59 N 0.00 0.03 -0.58 6.23 0.02 -1.54 -2.37 113.55 115.34 2jwn h SER 59 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2jwn h SER 59 Cb 0.67 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2jwn h SER 59 CO 0.03 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.85 2jwn n GLY 61 N 1.28 -0.19 3.43 0.00 0.00 -0.89 -4.45 105.19 104.37 2jwn n GLY 61 Ca 0.21 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 2jwn n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 62 N -4.00 5.57 -0.08 1.61 0.01 -1.26 -4.32 113.70 111.22 2jwn s SER 62 Ca 0.00 -0.57 -0.19 0.00 1.31 0.00 0.00 55.95 56.50 2jwn s SER 62 Cb 0.00 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 2jwn s SER 62 CO 0.00 -0.21 0.51 -0.63 0.41 0.00 0.00 173.24 173.31 2jwn s ILE 63 N 1.61 5.12 -0.20 1.44 1.01 -1.26 0.38 121.20 129.29 2jwn s ILE 63 Ca 0.04 1.03 -0.03 0.00 0.00 0.00 0.00 60.65 61.69 2jwn s ILE 63 Cb -0.17 -3.84 -0.21 0.00 0.01 0.00 0.00 42.46 38.25 2jwn s ILE 63 CO 0.06 0.36 0.03 0.59 0.00 0.00 0.00 174.94 175.98 2jwn n ASN 64 N 3.34 2.04 -3.60 3.58 5.03 0.12 -4.87 115.26 120.90 2jwn n ASN 64 Ca -0.07 0.03 -0.11 0.00 0.87 0.00 0.00 54.58 55.31 2jwn n ASN 64 Cb 0.52 -0.63 -0.04 0.00 -1.02 0.00 0.00 39.78 38.61 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2jwn s ARG 65 N -2.53 1.20 -0.08 3.52 0.52 -1.13 -5.02 118.95 115.43 2jwn s ARG 65 Ca -0.30 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.15 2jwn s ARG 65 Cb 0.08 0.51 0.02 0.00 0.52 0.00 0.00 34.95 36.09 2jwn s ARG 65 CO 0.67 -0.50 0.23 0.96 0.02 0.00 0.00 175.30 176.68 2jwn s ILE 66 N -3.81 0.01 -0.08 1.52 -4.36 -1.26 -0.66 121.20 112.56 2jwn s ILE 66 Ca 0.04 -0.09 0.03 0.00 -0.26 0.00 0.00 60.65 60.37 2jwn s ILE 66 Cb 0.00 -0.36 0.01 0.00 1.25 0.00 0.00 42.46 43.37 2jwn s ILE 66 CO -0.10 -0.05 -0.15 -0.89 0.24 0.00 0.00 174.94 173.99 2jwn s THR 67 N -0.09 1.40 -0.14 8.37 2.01 -0.42 -4.98 115.64 121.80 2jwn s THR 67 Ca -0.02 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2jwn s THR 67 Cb -0.02 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.25 2jwn s THR 67 CO 0.01 0.41 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.58 2jwn s ILE 68 N 0.65 1.51 -0.06 1.82 1.09 -1.26 -0.36 121.20 124.59 2jwn s ILE 68 Ca -0.14 -0.61 0.06 0.00 -1.10 0.00 0.00 60.65 58.85 2jwn s ILE 68 Cb -0.16 -1.42 -0.01 0.00 -1.06 0.00 0.00 42.46 39.81 2jwn s ILE 68 CO 0.04 0.45 -0.24 -1.48 -0.10 0.00 0.00 174.94 173.61 2jwn s LEU 69 N 1.37 2.05 -0.17 2.97 2.34 0.08 -5.00 118.68 122.33 2jwn s LEU 69 Ca 0.02 -0.50 0.00 0.00 0.06 0.00 0.00 54.13 53.71 2jwn s LEU 69 Cb -0.13 -1.34 0.01 0.00 -0.56 0.00 0.00 46.19 44.17 2jwn s LEU 69 CO -0.08 0.22 -0.16 0.00 -1.06 0.00 0.00 176.35 175.27 2jwn s ASP 71 N 1.08 4.09 0.00 0.00 1.47 0.90 -4.86 116.67 119.36 2jwn s ASP 71 Ca -0.00 -0.32 0.23 0.00 1.18 0.00 0.00 52.55 53.63 2jwn s ASP 71 Cb -0.14 -1.64 0.54 0.00 -0.34 0.00 0.00 42.92 41.34 2jwn s ASP 71 CO -0.05 0.15 1.45 0.29 0.68 0.00 0.00 175.17 177.68 2jwn n LYS 72 N 3.66 2.18 0.00 2.11 5.02 -1.26 0.11 118.16 129.98 2jwn n LYS 72 Ca -0.18 -1.77 0.03 0.00 -2.02 0.00 0.00 58.31 54.37 2jwn n LYS 72 Cb 0.52 -1.46 0.16 0.00 -0.02 0.00 0.00 35.03 34.23 2jwn n LYS 72 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jwn n PHE 73 N 1.01 0.00 1.14 2.13 3.72 -1.26 -0.56 117.46 123.64 2jwn n PHE 73 Ca 0.18 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 2jwn n PHE 73 Cb 0.50 -0.31 0.27 0.00 -0.94 0.00 0.00 39.48 39.00 2jwn n PHE 73 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jwn n SER 74 N -1.31 2.43 0.00 4.37 2.88 -1.26 -4.94 113.62 115.79 2jwn n SER 74 Ca 0.03 -1.81 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 2jwn n SER 74 Cb 0.06 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jwn n GLY 75 N 1.29 2.06 3.90 0.46 0.00 0.28 -4.90 105.19 108.27 2jwn n GLY 75 Ca 0.16 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.05 3.52 -0.22 1.61 3.76 -1.26 -4.94 115.29 117.71 2jwn s HIS 76 Ca 0.00 0.52 -0.29 0.00 -0.15 0.00 0.00 55.06 55.13 2jwn s HIS 76 Cb 0.00 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 2jwn s HIS 76 CO 0.00 0.53 1.26 -2.14 -0.85 0.00 0.00 174.74 173.54 2jwn s PRO 77 N -2.29 4.13 0.11 8.40 0.02 -1.26 -4.37 135.00 139.74 2jwn s PRO 77 Ca 0.35 1.50 -0.04 0.00 0.02 0.00 0.00 61.00 62.83 2jwn s PRO 77 Cb -0.13 -3.79 -0.05 0.00 0.02 0.00 0.00 34.50 30.55 2jwn s PRO 77 CO 0.22 -0.84 0.33 0.15 -0.33 0.00 0.00 177.00 176.53 2jwn s LYS 78 N 3.70 3.58 -0.04 5.54 1.02 0.12 -4.75 119.74 128.91 2jwn s LYS 78 Ca 0.54 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.42 2jwn s LYS 78 Cb -0.19 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2jwn s LYS 78 CO 0.17 0.52 -0.13 0.20 -0.92 0.00 0.00 175.35 175.18 2jwn s GLY 79 N -2.34 0.74 -0.08 -3.33 0.00 -1.26 -0.07 107.32 100.98 2jwn s GLY 79 Ca 0.38 -0.51 -0.15 0.00 0.00 0.00 0.00 44.72 44.44 2jwn s GLY 79 CO 0.24 -0.20 0.37 -2.52 0.00 0.00 0.00 173.10 170.99 2jwn s TYR 80 N 0.15 -0.34 0.05 1.90 1.13 -0.56 -2.80 117.35 116.89 2jwn s TYR 80 Ca -0.04 0.72 0.01 0.00 -1.41 0.00 0.00 57.07 56.35 2jwn s TYR 80 Cb -0.11 0.14 -0.03 0.00 -1.10 0.00 0.00 41.96 40.86 2jwn s TYR 80 CO 0.01 -0.31 -0.06 0.00 -2.51 0.00 0.00 175.55 172.69 2jwn s ALA 81 N -0.52 0.57 -0.14 9.51 0.00 0.60 -0.75 121.76 131.03 2jwn s ALA 81 Ca -0.06 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.96 2jwn s ALA 81 Cb -0.04 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2jwn s ALA 81 CO 0.03 -0.17 -0.21 0.71 0.00 0.00 0.00 175.76 176.12 2jwn s TYR 82 N -2.43 2.63 -0.18 0.00 2.02 0.52 0.27 117.35 120.19 2jwn s TYR 82 Ca -0.03 -1.35 -0.05 0.00 -0.37 0.00 0.00 57.07 55.28 2jwn s TYR 82 Cb -0.03 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 2jwn s TYR 82 CO -0.03 -0.63 -0.01 0.42 -1.57 0.00 0.00 175.55 173.73 2jwn s ILE 83 N 0.88 3.98 -0.23 2.71 -1.09 -0.95 -1.30 121.20 125.20 2jwn s ILE 83 Ca -0.06 -0.32 -0.05 0.00 -2.23 0.00 0.00 60.65 57.99 2jwn s ILE 83 Cb -0.15 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.94 2jwn s ILE 83 CO -0.03 0.46 0.01 -1.61 -1.23 0.00 0.00 174.94 172.54 2jwn s GLU 84 N 0.64 3.53 0.31 2.79 2.02 0.16 -1.06 118.70 127.11 2jwn s GLU 84 Ca -0.01 -0.55 0.05 0.00 0.02 0.00 0.00 54.97 54.48 2jwn s GLU 84 Cb -0.14 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 2jwn s GLU 84 CO 0.02 -0.16 0.46 -0.06 0.02 0.00 0.00 175.26 175.54 2jwn s PHE 85 N 1.45 3.27 0.09 1.61 0.08 -0.24 0.15 117.98 124.39 2jwn s PHE 85 Ca 0.05 -0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.95 2jwn s PHE 85 Cb -0.15 -1.87 -0.20 0.00 -0.57 0.00 0.00 43.02 40.24 2jwn s PHE 85 CO 0.00 0.13 1.21 0.00 -0.10 0.00 0.00 175.22 176.46 2jwn h ALA 86 N 0.93 0.18 -3.87 5.36 0.00 -0.40 -3.43 119.26 118.02 2jwn h ALA 86 Ca -0.48 -0.74 -0.68 0.00 0.00 0.00 0.00 54.91 53.00 2jwn h ALA 86 Cb 1.24 0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 2jwn h ALA 86 CO 0.57 0.76 -0.76 -1.83 0.00 0.00 0.00 179.25 178.00 2jwn s GLU 87 N -3.15 2.68 0.41 0.00 1.03 -1.26 -5.00 118.70 113.40 2jwn s GLU 87 Ca -0.08 -0.67 0.10 0.00 0.03 0.00 0.00 54.97 54.36 2jwn s GLU 87 Cb 0.07 -2.45 0.92 0.00 -0.80 0.00 0.00 34.13 31.87 2jwn s GLU 87 CO 0.90 0.57 2.00 0.00 -1.33 0.00 0.00 175.26 177.40 2jwn h ARG 88 N 5.53 0.51 0.00 -4.83 2.47 -1.92 -1.05 114.38 115.08 2jwn h ARG 88 Ca -0.44 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 2jwn h ARG 88 Cb 1.16 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2jwn h ARG 88 CO 0.51 0.34 -0.04 -0.91 0.56 0.00 0.00 179.97 180.43 2jwn h ASN 89 N 0.53 0.00 -0.09 7.04 2.35 -1.97 -1.52 115.58 121.92 2jwn h ASN 89 Ca 0.24 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 2jwn h ASN 89 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2jwn h ASN 89 CO -0.07 0.04 -0.37 0.28 -1.65 0.00 0.00 177.43 175.66 2jwn h SER 90 N 0.00 0.63 -0.62 5.81 0.02 -1.40 -1.49 113.55 116.49 2jwn h SER 90 Ca -0.00 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2jwn h SER 90 Cb 0.36 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2jwn h SER 90 CO 0.00 0.94 0.14 -0.37 -1.14 0.00 0.00 176.83 176.41 2jwn h VAL 91 N 0.50 1.26 -0.10 2.27 -1.51 -1.35 0.54 116.25 117.85 2jwn h VAL 91 Ca 0.05 -0.94 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 2jwn h VAL 91 Cb 0.87 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2jwn h VAL 91 CO 0.07 0.35 -0.04 0.44 -1.23 0.00 0.00 177.57 177.17 2jwn h ASP 92 N 0.92 0.13 -0.09 4.19 3.32 -1.36 0.19 116.42 123.73 2jwn h ASP 92 Ca 0.20 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.99 2jwn h ASP 92 Cb 0.37 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.90 2jwn h ASP 92 CO 0.00 0.19 -0.87 0.00 -1.72 0.00 0.00 179.24 176.84 2jwn h ALA 93 N 1.83 0.25 -0.06 3.45 0.00 -0.53 -3.27 119.26 120.94 2jwn h ALA 93 Ca 0.03 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.10 2jwn h ALA 93 Cb 0.16 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jwn h ALA 93 CO 0.01 0.69 -0.76 0.00 0.00 0.00 0.00 179.25 179.19 2jwn h ALA 94 N 0.51 0.17 -0.08 0.00 0.00 -0.12 -3.08 119.26 116.66 2jwn h ALA 94 Ca -0.08 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.25 2jwn h ALA 94 Cb 1.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2jwn h ALA 94 CO 0.18 0.53 0.21 -0.39 0.00 0.00 0.00 179.25 179.78 2jwn h VAL 95 N 0.24 0.18 0.00 0.00 -1.51 -0.76 0.13 116.25 114.53 2jwn h VAL 95 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2jwn h VAL 95 Cb 1.42 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2jwn h VAL 95 CO 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.49 2jwn n ALA 96 N -2.11 1.52 -0.27 5.19 0.00 -1.16 -1.00 120.51 122.68 2jwn n ALA 96 Ca -0.01 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.63 2jwn n ALA 96 Cb 0.29 -1.34 0.31 0.00 0.00 0.00 0.00 19.45 18.72 2jwn n ALA 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jwn n MET 97 N -2.11 2.67 -0.30 0.00 2.81 0.47 -4.71 117.12 115.94 2jwn n MET 97 Ca 0.02 -2.59 0.15 0.00 -1.81 0.00 0.00 57.70 53.47 2jwn n MET 97 Cb 0.18 -1.56 0.30 0.00 -0.71 0.00 0.00 33.22 31.43 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jwn n ASP 98 N 1.61 -0.04 -4.09 7.83 5.75 -0.17 -2.72 116.55 124.72 2jwn n ASP 98 Ca 0.24 1.50 -0.35 0.00 -0.01 0.00 0.00 54.79 56.17 2jwn n ASP 98 Cb 0.61 -0.57 -0.12 0.00 -1.03 0.00 0.00 41.12 40.01 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 -5.77 2.02 0.15 0.11 2.12 -1.26 -2.49 118.70 113.57 2jwn s GLU 99 Ca -0.11 -2.03 -0.04 0.00 0.36 0.00 0.00 54.97 53.15 2jwn s GLU 99 Cb 0.27 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 2jwn s GLU 99 CO 0.69 -1.07 0.14 0.95 -0.54 0.00 0.00 175.26 175.43 2jwn s THR 100 N 0.76 0.08 -0.26 -1.70 -4.23 -1.10 -5.00 115.64 104.18 2jwn s THR 100 Ca 0.11 -1.74 -0.08 0.00 -1.18 0.00 0.00 61.69 58.80 2jwn s THR 100 Cb -0.22 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 2jwn s THR 100 CO -0.04 -0.37 0.11 0.54 -0.54 0.00 0.00 174.62 174.31 2jwn s VAL 101 N -4.03 4.57 -0.25 2.29 0.11 -1.26 -0.05 120.40 121.79 2jwn s VAL 101 Ca 0.23 -0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2jwn s VAL 101 Cb 0.06 -3.16 0.01 0.00 -1.53 0.00 0.00 36.38 31.76 2jwn s VAL 101 CO 0.02 0.30 -0.04 0.12 -3.33 0.00 0.00 175.10 172.17 2jwn s PHE 102 N 1.65 3.04 -0.60 1.54 5.36 0.19 -4.67 117.98 124.48 2jwn s PHE 102 Ca 0.06 -1.30 -0.05 0.00 -0.96 0.00 0.00 56.93 54.69 2jwn s PHE 102 Cb -0.15 -2.10 0.04 0.00 -0.34 0.00 0.00 43.02 40.47 2jwn s PHE 102 CO 0.06 -0.66 0.14 2.89 -1.46 0.00 0.00 175.22 176.19 2jwn n ARG 103 N 4.73 -2.60 0.00 10.12 1.85 -1.26 -0.63 116.66 128.88 2jwn n ARG 103 Ca -0.17 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2jwn n ARG 103 Cb 0.48 -4.73 0.00 0.00 -1.05 0.00 0.00 32.46 27.16 2jwn n ARG 103 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jwn n GLY 104 N -0.71 1.14 3.51 2.89 0.00 -1.26 -5.08 105.19 105.68 2jwn n GLY 104 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2jwn n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jwn s ARG 105 N -0.54 2.72 -0.21 1.61 0.52 0.20 -5.07 118.95 118.18 2jwn s ARG 105 Ca 0.00 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.29 2jwn s ARG 105 Cb 0.00 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.97 2jwn s ARG 105 CO 0.00 0.59 1.08 0.99 0.02 0.00 0.00 175.30 177.98 2jwn s THR 106 N -0.63 4.61 0.44 0.02 2.01 -1.26 0.52 115.64 121.36 2jwn s THR 106 Ca 0.09 1.95 0.08 0.00 0.31 0.00 0.00 61.69 64.12 2jwn s THR 106 Cb -0.11 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.16 2jwn s THR 106 CO 0.01 -0.17 0.56 0.27 -0.69 0.00 0.00 174.62 174.61 2jwn s ILE 107 N 3.21 2.78 -0.06 1.82 -4.36 0.93 -4.81 121.20 120.71 2jwn s ILE 107 Ca 0.46 -1.08 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 2jwn s ILE 107 Cb -0.16 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 40.72 2jwn s ILE 107 CO 0.08 0.00 -0.04 -0.75 0.24 0.00 0.00 174.94 174.47 2jwn s LYS 108 N -4.35 0.88 -0.05 0.37 2.47 -1.03 -3.51 119.74 114.52 2jwn s LYS 108 Ca 0.54 -0.07 0.03 0.00 -1.56 0.00 0.00 55.97 54.91 2jwn s LYS 108 Cb -0.08 -0.99 0.01 0.00 -1.46 0.00 0.00 37.83 35.31 2jwn s LYS 108 CO 0.33 -0.16 -0.13 0.14 0.16 0.00 0.00 175.35 175.69 2jwn s VAL 109 N 1.30 1.13 0.08 4.02 -7.23 -1.04 -0.21 120.40 118.46 2jwn s VAL 109 Ca -0.05 -0.51 -0.10 0.00 -1.81 0.00 0.00 61.98 59.51 2jwn s VAL 109 Cb -0.14 -1.01 0.01 0.00 0.56 0.00 0.00 36.38 35.80 2jwn s VAL 109 CO -0.02 0.35 0.23 -1.48 -0.31 0.00 0.00 175.10 173.87 2jwn s LEU 110 N 0.42 1.21 0.05 1.32 -0.00 -0.84 -4.24 118.68 116.59 2jwn s LEU 110 Ca -0.10 -0.52 -0.30 0.00 -0.00 0.00 0.00 54.13 53.21 2jwn s LEU 110 Cb -0.13 1.18 -0.05 0.00 -0.00 0.00 0.00 46.19 47.19 2jwn s LEU 110 CO 0.03 -0.71 1.12 -2.16 -0.00 0.00 0.00 176.35 174.63 2jwn s PRO 111 N -3.55 4.48 -0.46 1.48 0.04 -1.26 0.23 135.00 135.96 2jwn s PRO 111 Ca 0.02 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 2jwn s PRO 111 Cb 0.03 -3.38 0.03 0.00 0.04 0.00 0.00 34.50 31.22 2jwn s PRO 111 CO -0.09 -0.17 0.95 0.21 0.04 0.00 0.00 177.00 177.93 2jwn s LYS 112 N 0.98 3.57 -0.06 4.56 2.36 0.35 -4.81 119.74 126.69 2jwn s LYS 112 Ca 0.56 0.23 -0.15 0.00 -2.55 0.00 0.00 55.97 54.07 2jwn s LYS 112 Cb -0.27 -3.92 -0.05 0.00 -1.05 0.00 0.00 37.83 32.55 2jwn s LYS 112 CO 0.29 -1.22 0.38 0.50 1.55 0.00 0.00 175.35 176.85 2jwn s ARG 113 N 3.81 4.04 0.50 4.03 3.52 -1.26 -4.38 118.95 129.20 2jwn s ARG 113 Ca 0.38 0.32 -0.21 0.00 -0.13 0.00 0.00 55.73 56.09 2jwn s ARG 113 Cb -0.10 -3.30 -0.07 0.00 -1.56 0.00 0.00 34.95 29.92 2jwn s ARG 113 CO 0.26 0.49 1.15 0.99 -0.81 0.00 0.00 175.30 177.39 2jwn s THR 114 N -0.41 3.13 -0.12 4.11 2.01 -1.26 -5.03 115.64 118.07 2jwn s THR 114 Ca 0.22 0.79 -0.06 0.00 0.31 0.00 0.00 61.69 62.95 2jwn s THR 114 Cb -0.15 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 69.04 2jwn s THR 114 CO 0.10 -0.08 0.29 0.21 -0.69 0.00 0.00 174.62 174.45 2jwn s ASN 115 N -1.54 -0.27 -0.51 3.53 2.47 -1.26 -5.07 114.94 112.28 2jwn s ASN 115 Ca 0.68 0.62 -0.16 0.00 0.42 0.00 0.00 52.86 54.41 2jwn s ASN 115 Cb -0.26 0.52 0.10 0.00 -1.45 0.00 0.00 41.25 40.15 2jwn s ASN 115 CO 0.31 -0.18 0.47 -0.32 -3.72 0.00 0.00 177.10 173.66 2jwn s MET 116 N 1.40 2.99 0.30 0.43 -2.45 -1.26 -4.91 119.30 115.80 2jwn s MET 116 Ca -0.08 -1.48 0.26 0.00 -1.25 0.00 0.00 55.69 53.13 2jwn s MET 116 Cb -0.10 -4.21 0.77 0.00 1.25 0.00 0.00 34.83 32.54 2jwn s MET 116 CO -0.10 -1.19 1.74 -1.35 1.05 0.00 0.00 175.02 175.17 2jwn h PRO 117 N 8.85 0.00 0.00 4.11 0.11 -2.04 -3.49 132.00 139.54 2jwn h PRO 117 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2jwn h PRO 117 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jwn h PRO 117 CO 0.96 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 2jwn n GLY 118 N 0.96 0.50 3.38 -0.55 0.00 -1.26 -4.93 105.19 103.29 2jwn n GLY 118 Ca 0.04 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 5.04 0.00 -0.61 -4.36 -1.26 -4.84 121.20 115.16 2jwn s ILE 119 Ca 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 60.65 59.33 2jwn s ILE 119 Cb 0.00 -3.98 0.00 0.00 1.25 0.00 0.00 42.46 39.73 2jwn s ILE 119 CO 0.00 -0.52 0.73 -1.20 0.24 0.00 0.00 174.94 174.19 2jwn n SER 120 N 5.14 1.39 -2.14 4.36 7.64 -1.26 -5.08 113.62 123.67 2jwn n SER 120 Ca -0.12 -1.50 -0.00 0.00 1.01 0.00 0.00 58.87 58.26 2jwn n SER 120 Cb 0.44 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2jwn n SER 120 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jwn n SER 121 N -0.25 -8.09 -0.04 6.43 7.64 -1.26 -4.92 113.62 113.13 2jwn n SER 121 Ca 0.00 1.55 -0.11 0.00 1.01 0.00 0.00 58.87 61.31 2jwn n SER 121 Cb 0.17 -4.53 -0.05 0.00 -1.01 0.00 0.00 64.21 58.79 2jwn n SER 121 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2jwn h THR 122 N 3.56 1.19 -1.87 0.44 1.35 -1.98 -3.45 112.91 112.15 2jwn h THR 122 Ca -0.02 -0.60 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 2jwn h THR 122 Cb 0.04 1.29 -0.21 0.00 -1.73 0.00 0.00 68.15 67.54 2jwn h THR 122 CO 0.00 0.18 0.27 1.51 -0.25 0.00 0.00 175.52 177.24 2jwn s ASP 123 N -5.63 -0.60 0.00 5.36 -4.77 -1.26 -5.08 116.67 104.68 2jwn s ASP 123 Ca -0.14 0.83 0.00 0.00 -3.30 0.00 0.00 52.55 49.94 2jwn s ASP 123 Cb 0.06 0.73 0.00 0.00 -1.09 0.00 0.00 42.92 42.62 2jwn s ASP 123 CO 0.71 -0.43 0.11 -1.14 0.70 0.00 0.00 175.17 175.11