#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwe s LEU 29 N 0.00 4.08 0.21 -2.67 1.43 -1.26 -5.07 118.68 115.40 3jwe s LEU 29 Ca 0.00 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 3jwe s LEU 29 Cb 0.00 -2.73 -0.10 0.00 0.03 0.00 0.00 46.19 43.38 3jwe s LEU 29 CO 0.00 -0.25 1.53 -2.84 0.23 0.00 0.00 176.35 175.02 3jwe s PRO 30 N -4.06 4.22 0.29 1.29 0.02 -1.26 -4.95 135.00 130.55 3jwe s PRO 30 Ca 0.39 2.38 -0.15 0.00 0.02 0.00 0.00 61.00 63.64 3jwe s PRO 30 Cb -0.09 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 31.32 3jwe s PRO 30 CO 0.30 -0.55 0.61 -3.38 -0.33 0.00 0.00 177.00 173.64 3jwe s HIS 31 N 0.62 0.22 0.03 6.54 -3.43 -1.26 -0.99 115.29 117.02 3jwe s HIS 31 Ca 0.66 -0.65 -0.03 0.00 -0.80 0.00 0.00 55.06 54.23 3jwe s HIS 31 Cb -0.44 0.44 -0.02 0.00 -1.43 0.00 0.00 32.58 31.14 3jwe s HIS 31 CO 0.37 -1.19 0.05 -0.48 -2.00 0.00 0.00 174.74 171.49 3jwe s LEU 32 N -3.02 2.01 -0.25 5.38 0.05 -0.76 -4.87 118.68 117.22 3jwe s LEU 32 Ca 0.18 -0.58 -0.04 0.00 0.05 0.00 0.00 54.13 53.74 3jwe s LEU 32 Cb -0.03 0.42 0.01 0.00 -2.05 0.00 0.00 46.19 44.53 3jwe s LEU 32 CO 0.10 -0.46 -0.01 -0.69 -0.55 0.00 0.00 176.35 174.74 3jwe s VAL 33 N -2.47 3.44 0.92 1.48 1.01 -1.26 -0.49 120.40 123.04 3jwe s VAL 33 Ca -0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3jwe s VAL 33 Cb -0.02 -2.69 0.15 0.00 0.00 0.00 0.00 36.38 33.81 3jwe s VAL 33 CO -0.04 0.25 1.12 0.54 0.00 0.00 0.00 175.10 176.96 3jwe s ASN 34 N 1.44 3.35 0.59 3.32 2.20 0.21 -4.88 114.94 121.19 3jwe s ASN 34 Ca 0.03 1.06 0.29 0.00 -0.94 0.00 0.00 52.86 53.30 3jwe s ASN 34 Cb -0.16 -1.68 1.52 0.00 -2.00 0.00 0.00 41.25 38.93 3jwe s ASN 34 CO -0.02 -2.66 1.94 0.00 -2.94 0.00 0.00 177.10 173.42 3jwe h ALA 35 N -1.57 2.07 -0.40 3.54 0.00 -1.96 0.14 119.26 121.08 3jwe h ALA 35 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3jwe h ALA 35 Cb 1.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3jwe h ALA 35 CO 0.60 -0.62 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 3jwe n ASP 36 N -3.70 2.15 -0.66 0.00 8.00 -1.26 -4.92 116.55 116.17 3jwe n ASP 36 Ca 0.07 -1.99 -0.09 0.00 0.71 0.00 0.00 54.79 53.49 3jwe n ASP 36 Cb 0.59 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 3jwe n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jwe n GLY 37 N 1.15 1.04 3.87 0.44 0.00 0.51 -5.03 105.19 107.16 3jwe n GLY 37 Ca 0.14 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3jwe n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jwe s GLN 38 N -2.72 3.71 -0.09 1.61 -0.21 -1.25 -4.83 119.66 115.87 3jwe s GLN 38 Ca 0.00 0.13 -0.24 0.00 0.02 0.00 0.00 55.36 55.27 3jwe s GLN 38 Cb 0.00 -3.10 -0.03 0.00 1.00 0.00 0.00 33.01 30.88 3jwe s GLN 38 CO 0.00 0.65 0.74 0.71 -2.12 0.00 0.00 175.29 175.27 3jwe s TYR 39 N -1.24 3.53 -0.18 0.91 1.51 -1.26 -0.62 117.35 120.01 3jwe s TYR 39 Ca 0.27 1.26 -0.03 0.00 -1.01 0.00 0.00 57.07 57.56 3jwe s TYR 39 Cb -0.14 -2.87 -0.01 0.00 -0.11 0.00 0.00 41.96 38.82 3jwe s TYR 39 CO 0.14 -0.01 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.00 3jwe s LEU 40 N 1.18 2.90 0.08 -1.29 1.43 0.36 -1.54 118.68 121.80 3jwe s LEU 40 Ca 0.38 -0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 52.85 3jwe s LEU 40 Cb -0.18 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 3jwe s LEU 40 CO 0.17 0.08 1.27 0.12 0.23 0.00 0.00 176.35 178.23 3jwe s PHE 41 N 0.87 3.35 0.13 0.29 5.36 -1.26 -1.82 117.98 124.90 3jwe s PHE 41 Ca -0.02 1.16 0.05 0.00 -0.96 0.00 0.00 56.93 57.16 3jwe s PHE 41 Cb -0.15 -3.52 -0.04 0.00 -0.34 0.00 0.00 43.02 38.97 3jwe s PHE 41 CO 0.01 -1.72 0.07 0.00 -1.46 0.00 0.00 175.22 172.12 3jwe s ARG 43 N -2.72 0.70 0.02 0.00 3.52 -0.57 -4.52 118.95 115.37 3jwe s ARG 43 Ca 0.29 -0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 3jwe s ARG 43 Cb -0.11 -0.68 -0.01 0.00 -1.56 0.00 0.00 34.95 32.59 3jwe s ARG 43 CO 0.21 0.17 -0.06 0.71 -0.81 0.00 0.00 175.30 175.52 3jwe s TYR 44 N -0.13 0.49 -0.46 5.12 2.02 -1.26 -1.32 117.35 121.80 3jwe s TYR 44 Ca 0.02 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.46 3jwe s TYR 44 Cb -0.04 -0.30 0.20 0.00 -0.40 0.00 0.00 41.96 41.42 3jwe s TYR 44 CO -0.00 -0.06 0.45 0.91 -1.57 0.00 0.00 175.55 175.27 3jwe n TRP 45 N 2.12 0.09 -2.89 2.71 8.01 0.14 -5.01 117.44 122.61 3jwe n TRP 45 Ca -0.19 -3.57 -0.41 0.00 -1.31 0.00 0.00 57.50 52.03 3jwe n TRP 45 Cb 0.56 -0.09 -0.04 0.00 -2.01 0.00 0.00 31.31 29.73 3jwe n TRP 45 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3jwe s LYS 46 N -0.70 4.52 0.76 -0.99 1.02 -1.26 -2.61 119.74 120.47 3jwe s LYS 46 Ca 0.33 1.15 -0.12 0.00 0.02 0.00 0.00 55.97 57.36 3jwe s LYS 46 Cb 0.08 -3.42 0.05 0.00 -0.52 0.00 0.00 37.83 34.01 3jwe s LYS 46 CO -0.15 0.10 1.12 -1.25 -0.92 0.00 0.00 175.35 174.24 3jwe s PRO 47 N 0.58 2.40 0.20 -1.68 0.04 -1.26 -4.99 135.00 130.29 3jwe s PRO 47 Ca 0.43 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.83 3jwe s PRO 47 Cb -0.20 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.51 3jwe s PRO 47 CO 0.24 -1.34 1.55 1.79 0.04 0.00 0.00 177.00 179.27 3jwe h THR 48 N -0.88 1.31 -0.56 1.26 1.35 -1.98 -3.46 112.91 109.95 3jwe h THR 48 Ca -0.46 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 3jwe h THR 48 Cb 1.28 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3jwe h THR 48 CO 0.64 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 3jwe n GLY 49 N 0.10 -0.09 3.65 5.82 0.00 -1.26 -5.05 105.19 108.36 3jwe n GLY 49 Ca -0.02 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 3jwe n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwe s THR 50 N 0.00 5.35 0.26 2.61 2.01 -1.26 -5.06 115.64 119.54 3jwe s THR 50 Ca 0.00 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 3jwe s THR 50 Cb 0.00 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.90 3jwe s THR 50 CO 0.00 0.33 1.49 -2.16 -0.69 0.00 0.00 174.62 173.59 3jwe s PRO 51 N 1.20 4.22 0.10 4.92 0.04 -1.26 -4.94 135.00 139.28 3jwe s PRO 51 Ca 0.07 2.39 -0.05 0.00 0.04 0.00 0.00 61.00 63.45 3jwe s PRO 51 Cb -0.14 -3.09 -0.21 0.00 0.04 0.00 0.00 34.50 31.11 3jwe s PRO 51 CO 0.06 -0.49 1.20 0.87 0.04 0.00 0.00 177.00 178.68 3jwe h LYS 52 N 5.05 0.33 -3.03 4.56 1.57 -1.19 -3.49 116.57 120.38 3jwe h LYS 52 Ca -0.46 -0.47 0.04 0.00 -1.87 0.00 0.00 60.65 57.89 3jwe h LYS 52 Cb 1.22 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.62 3jwe h LYS 52 CO 0.79 1.18 0.21 0.00 -0.57 0.00 0.00 179.45 181.06 3jwe s ALA 53 N -2.89 -1.27 -0.03 3.86 0.00 -1.26 -4.43 121.76 115.74 3jwe s ALA 53 Ca -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.80 3jwe s ALA 53 Cb 0.08 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 3jwe s ALA 53 CO 0.88 -0.96 -0.05 -0.51 0.00 0.00 0.00 175.76 175.12 3jwe s LEU 54 N -2.88 3.28 -0.05 0.00 1.43 0.00 -1.61 118.68 118.85 3jwe s LEU 54 Ca 0.09 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3jwe s LEU 54 Cb -0.04 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.39 3jwe s LEU 54 CO 0.02 0.32 0.02 -0.51 0.23 0.00 0.00 176.35 176.42 3jwe s ILE 55 N -0.94 0.21 -0.11 -0.59 2.07 -0.61 0.02 121.20 121.25 3jwe s ILE 55 Ca 0.15 0.19 -0.17 0.00 -1.41 0.00 0.00 60.65 59.41 3jwe s ILE 55 Cb -0.11 -0.37 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 3jwe s ILE 55 CO 0.05 0.21 0.44 0.12 -1.91 0.00 0.00 174.94 173.85 3jwe s PHE 56 N 1.77 3.54 -0.29 3.50 5.36 0.53 -1.76 117.98 130.63 3jwe s PHE 56 Ca 0.01 0.86 -0.10 0.00 -0.96 0.00 0.00 56.93 56.74 3jwe s PHE 56 Cb -0.13 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.05 3jwe s PHE 56 CO -0.04 0.26 0.16 0.08 -1.46 0.00 0.00 175.22 174.22 3jwe s VAL 57 N 0.32 4.87 -0.39 3.12 1.01 -0.63 -0.40 120.40 128.30 3jwe s VAL 57 Ca 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 3jwe s VAL 57 Cb -0.15 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 32.92 3jwe s VAL 57 CO 0.10 0.18 0.18 -0.55 0.00 0.00 0.00 175.10 175.01 3jwe s SER 58 N 1.68 5.37 0.82 3.32 0.15 0.19 -4.42 113.70 120.81 3jwe s SER 58 Ca 0.06 -1.58 -0.11 0.00 0.70 0.00 0.00 55.95 55.01 3jwe s SER 58 Cb -0.16 -1.88 0.08 0.00 -1.71 0.00 0.00 66.02 62.35 3jwe s SER 58 CO 0.08 -0.47 1.10 -1.38 1.20 0.00 0.00 173.24 173.76 3jwe s HIS 59 N 1.31 2.72 0.88 3.44 -3.43 -1.26 -2.12 115.29 116.84 3jwe s HIS 59 Ca 0.03 1.17 -0.11 0.00 -0.80 0.00 0.00 55.06 55.35 3jwe s HIS 59 Cb -0.22 -3.13 0.18 0.00 -1.43 0.00 0.00 32.58 27.98 3jwe s HIS 59 CO -0.00 -1.90 1.21 0.20 -2.00 0.00 0.00 174.74 172.26 3jwe s GLY 60 N -3.81 1.77 0.24 -1.38 0.00 -0.98 -2.34 107.32 100.84 3jwe s GLY 60 Ca 0.61 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 3jwe s GLY 60 CO 0.55 -0.68 1.44 0.00 0.00 0.00 0.00 173.10 174.40 3jwe s ALA 61 N -3.64 3.63 0.00 3.20 0.00 -1.26 -3.00 121.76 120.68 3jwe s ALA 61 Ca 0.72 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.99 3jwe s ALA 61 Cb -0.04 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3jwe s ALA 61 CO 0.50 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3jwe n GLY 62 N 2.25 2.77 0.00 0.00 0.00 -1.26 -5.01 105.19 103.93 3jwe n GLY 62 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3jwe n GLY 62 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3jwe n GLU 63 N -0.47 1.21 -3.65 1.61 0.28 -1.16 -1.42 120.64 117.03 3jwe n GLU 63 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 3jwe n GLU 63 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 3jwe n GLU 63 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 3jwe s HIS 64 N 0.41 -0.28 0.45 -1.84 -3.43 -1.26 -4.14 115.29 105.20 3jwe s HIS 64 Ca 0.00 -0.04 0.20 0.00 -0.80 0.00 0.00 55.06 54.42 3jwe s HIS 64 Cb 0.00 0.51 1.16 0.00 -1.43 0.00 0.00 32.58 32.82 3jwe s HIS 64 CO 0.00 -0.95 1.89 0.66 -2.00 0.00 0.00 174.74 174.35 3jwe h SER 65 N 2.10 0.30 -0.45 7.38 4.64 -1.95 -2.66 113.55 122.92 3jwe h SER 65 Ca -0.29 0.03 0.12 0.00 -0.47 0.00 0.00 61.79 61.18 3jwe h SER 65 Cb 1.28 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3jwe h SER 65 CO 0.35 0.14 0.32 1.23 -0.87 0.00 0.00 176.83 178.00 3jwe h GLY 66 N 0.31 0.06 2.00 -0.77 0.00 -1.98 -1.58 103.07 101.11 3jwe h GLY 66 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3jwe h GLY 66 CO -0.12 0.01 0.00 0.54 0.00 0.00 0.00 176.54 176.97 3jwe n ARG 67 N -4.42 0.01 -0.59 4.80 1.74 -1.00 -2.79 116.66 114.41 3jwe n ARG 67 Ca 0.08 0.33 0.09 0.00 -0.77 0.00 0.00 57.85 57.57 3jwe n ARG 67 Cb 0.50 -1.52 0.34 0.00 -1.02 0.00 0.00 32.46 30.76 3jwe n ARG 67 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3jwe n TYR 68 N -1.54 1.41 0.09 -1.55 4.01 -0.59 -4.73 117.16 114.27 3jwe n TYR 68 Ca 0.02 -0.64 -0.14 0.00 -0.16 0.00 0.00 57.90 56.99 3jwe n TYR 68 Cb 0.13 -0.25 -0.07 0.00 -0.31 0.00 0.00 39.34 38.83 3jwe n TYR 68 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3jwe h GLU 69 N 3.75 -0.60 -0.54 -0.72 4.57 -1.70 0.35 114.58 119.68 3jwe h GLU 69 Ca 0.00 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3jwe h GLU 69 Cb 1.44 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 30.14 3jwe h GLU 69 CO 0.23 -0.40 0.30 0.93 -1.18 0.00 0.00 179.01 178.90 3jwe h GLU 70 N -0.62 0.76 -0.48 1.92 5.08 -1.89 -0.43 114.58 118.90 3jwe h GLU 70 Ca 0.03 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3jwe h GLU 70 Cb 0.67 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3jwe h GLU 70 CO -0.28 0.58 -0.14 1.25 -1.00 0.00 0.00 179.01 179.42 3jwe h LEU 71 N 0.73 0.92 -0.27 1.33 5.85 -1.87 -2.30 115.31 119.71 3jwe h LEU 71 Ca 0.19 -0.31 -0.20 0.00 0.84 0.00 0.00 57.88 58.40 3jwe h LEU 71 Cb 0.04 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.82 3jwe h LEU 71 CO -0.03 1.06 -0.72 0.00 -0.34 0.00 0.00 178.44 178.40 3jwe h ALA 72 N 1.02 0.44 0.00 1.25 0.00 -0.78 -2.36 119.26 118.82 3jwe h ALA 72 Ca 0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3jwe h ALA 72 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3jwe h ALA 72 CO 0.05 0.71 -0.18 0.00 0.00 0.00 0.00 179.25 179.82 3jwe h ARG 73 N 0.48 0.00 0.17 0.00 3.08 -0.99 0.43 114.38 117.55 3jwe h ARG 73 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3jwe h ARG 73 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3jwe h ARG 73 CO 0.14 0.18 -0.08 1.98 -1.07 0.00 0.00 179.97 181.12 3jwe h MET 74 N 0.00 -0.22 -0.68 0.04 4.05 -1.26 -3.00 114.93 113.86 3jwe h MET 74 Ca -0.00 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 3jwe h MET 74 Cb 0.35 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 3jwe h MET 74 CO 0.02 0.20 0.45 -0.07 0.23 0.00 0.00 176.91 177.74 3jwe h LEU 75 N -0.80 0.64 -0.89 3.39 3.38 -1.11 -1.41 115.31 118.51 3jwe h LEU 75 Ca -0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3jwe h LEU 75 Cb 0.52 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3jwe h LEU 75 CO 0.04 0.42 0.54 -0.03 0.09 0.00 0.00 178.44 179.50 3jwe h MET 76 N 0.73 1.20 0.00 1.13 4.05 -0.98 -2.20 114.93 118.86 3jwe h MET 76 Ca 0.28 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3jwe h MET 76 Cb 0.20 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3jwe h MET 76 CO -0.09 0.84 -0.03 0.78 0.23 0.00 0.00 176.91 178.65 3jwe h GLY 77 N 1.22 0.00 -1.45 1.39 0.00 -1.10 -1.06 103.07 102.07 3jwe h GLY 77 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3jwe h GLY 77 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 3jwe n LEU 78 N -3.54 2.11 -1.90 3.11 4.77 -0.84 -4.90 117.00 115.81 3jwe n LEU 78 Ca -0.03 -1.06 -0.13 0.00 -0.03 0.00 0.00 56.01 54.77 3jwe n LEU 78 Cb 0.12 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3jwe n LEU 78 CO 0.26 0.45 0.03 0.47 -1.33 0.00 0.00 177.39 177.26 3jwe n ASP 79 N 0.45 -4.22 -4.63 -1.43 8.00 -0.40 -4.87 116.55 109.44 3jwe n ASP 79 Ca 0.12 -0.19 -0.34 0.00 0.71 0.00 0.00 54.79 55.09 3jwe n ASP 79 Cb 0.37 -3.05 -0.10 0.00 -0.02 0.00 0.00 41.12 38.32 3jwe n ASP 79 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jwe s LEU 80 N -4.12 3.36 -0.44 0.64 1.02 -1.12 -0.59 118.68 117.43 3jwe s LEU 80 Ca 0.20 0.01 -0.21 0.00 0.02 0.00 0.00 54.13 54.16 3jwe s LEU 80 Cb -0.09 -1.81 0.03 0.00 0.02 0.00 0.00 46.19 44.34 3jwe s LEU 80 CO 0.25 0.34 0.65 -0.22 0.02 0.00 0.00 176.35 177.39 3jwe s LEU 81 N -1.06 4.50 -0.12 1.79 0.20 -0.63 -3.97 118.68 119.38 3jwe s LEU 81 Ca 0.15 -0.35 -0.16 0.00 0.69 0.00 0.00 54.13 54.46 3jwe s LEU 81 Cb -0.11 -2.73 -0.05 0.00 -0.43 0.00 0.00 46.19 42.87 3jwe s LEU 81 CO 0.04 -0.80 0.39 -0.69 -0.29 0.00 0.00 176.35 175.00 3jwe s VAL 82 N 2.85 5.22 -0.00 1.68 1.01 -1.07 -1.57 120.40 128.52 3jwe s VAL 82 Ca 0.23 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 3jwe s VAL 82 Cb -0.14 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3jwe s VAL 82 CO 0.19 0.38 0.04 0.72 0.00 0.00 0.00 175.10 176.43 3jwe s PHE 83 N 0.35 0.08 0.30 5.22 -0.12 -0.72 -0.69 117.98 122.40 3jwe s PHE 83 Ca 0.22 -0.16 -0.09 0.00 -0.05 0.00 0.00 56.93 56.85 3jwe s PHE 83 Cb -0.14 -0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.18 3jwe s PHE 83 CO 0.08 -0.14 0.50 0.00 -0.05 0.00 0.00 175.22 175.61 3jwe s ALA 84 N -0.79 0.16 -0.00 1.99 0.00 -0.44 -1.61 121.76 121.07 3jwe s ALA 84 Ca -0.09 -1.15 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 3jwe s ALA 84 Cb -0.05 1.07 0.04 0.00 0.00 0.00 0.00 23.12 24.17 3jwe s ALA 84 CO -0.00 -0.83 0.41 -3.38 0.00 0.00 0.00 175.76 171.95 3jwe s HIS 85 N -3.45 -0.29 -0.14 0.00 -3.43 -1.26 -1.51 115.29 105.21 3jwe s HIS 85 Ca 0.25 0.40 -0.28 0.00 -0.80 0.00 0.00 55.06 54.63 3jwe s HIS 85 Cb -0.01 0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 31.32 3jwe s HIS 85 CO 0.14 -0.48 0.97 -0.51 -2.00 0.00 0.00 174.74 172.86 3jwe s ASP 86 N -1.51 7.15 0.90 7.38 1.01 -0.39 -4.68 116.67 126.53 3jwe s ASP 86 Ca -0.11 1.42 -0.11 0.00 0.71 0.00 0.00 52.55 54.46 3jwe s ASP 86 Cb -0.03 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.48 3jwe s ASP 86 CO 0.03 -0.48 1.01 1.41 0.21 0.00 0.00 175.17 177.35 3jwe n HIS 87 N 5.31 0.48 -1.62 4.23 8.25 -1.26 -4.44 115.22 126.17 3jwe n HIS 87 Ca 0.08 0.37 -0.44 0.00 -0.26 0.00 0.00 57.72 57.48 3jwe n HIS 87 Cb 0.48 -1.98 -0.01 0.00 1.12 0.00 0.00 29.99 29.60 3jwe n HIS 87 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3jwe n VAL 88 N -3.91 2.03 -1.37 1.59 0.31 -1.26 -1.77 118.33 113.95 3jwe n VAL 88 Ca 0.11 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.81 3jwe n VAL 88 Cb 0.52 -1.16 -0.05 0.00 -0.91 0.00 0.00 33.84 32.23 3jwe n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jwe n GLY 89 N 1.10 1.36 3.12 2.92 0.00 -0.33 -4.79 105.19 108.56 3jwe n GLY 89 Ca 0.08 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 3jwe n GLY 89 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jwe s HIS 90 N -2.45 0.91 0.00 1.61 4.02 -0.73 -1.68 115.29 116.98 3jwe s HIS 90 Ca 0.00 -0.52 0.00 0.00 1.02 0.00 0.00 55.06 55.56 3jwe s HIS 90 Cb 0.00 -0.52 0.00 0.00 -1.02 0.00 0.00 32.58 31.04 3jwe s HIS 90 CO 0.00 -0.03 0.00 0.41 1.02 0.00 0.00 174.74 176.14 3jwe n GLY 91 N 1.23 3.08 1.02 -2.22 0.00 -1.25 -1.78 105.19 105.27 3jwe n GLY 91 Ca -0.21 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.03 3jwe n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jwe n GLN 92 N 14.00 2.32 -2.61 1.61 6.02 -1.26 -4.95 117.38 132.52 3jwe n GLN 92 Ca 0.00 -1.96 -0.25 0.00 -0.01 0.00 0.00 57.00 54.78 3jwe n GLN 92 Cb 0.00 -1.45 0.03 0.00 1.02 0.00 0.00 30.24 29.84 3jwe n GLN 92 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3jwe s SER 93 N -0.98 5.60 0.97 1.08 0.01 -0.74 -4.43 113.70 115.21 3jwe s SER 93 Ca 0.36 0.49 -0.15 0.00 1.31 0.00 0.00 55.95 57.96 3jwe s SER 93 Cb 0.19 -1.53 0.18 0.00 0.21 0.00 0.00 66.02 65.07 3jwe s SER 93 CO 0.24 -0.98 1.20 -1.61 0.41 0.00 0.00 173.24 172.50 3jwe s GLU 94 N -4.84 0.65 0.00 12.44 2.02 -0.59 -4.54 118.70 123.84 3jwe s GLU 94 Ca 0.53 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.48 3jwe s GLU 94 Cb -0.10 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.32 3jwe s GLU 94 CO 0.42 -2.47 0.00 0.41 0.02 0.00 0.00 175.26 173.64 3jwe n GLY 95 N -2.64 2.28 3.74 -1.39 0.00 -1.26 -1.19 105.19 104.72 3jwe n GLY 95 Ca 0.11 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3jwe n GLY 95 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jwe s GLU 96 N -3.79 4.29 -0.30 1.61 2.12 -1.26 -4.26 118.70 117.10 3jwe s GLU 96 Ca 0.00 2.24 -0.42 0.00 0.36 0.00 0.00 54.97 57.15 3jwe s GLU 96 Cb 0.00 -3.15 -0.17 0.00 0.26 0.00 0.00 34.13 31.07 3jwe s GLU 96 CO 0.00 -0.42 1.66 0.54 -0.54 0.00 0.00 175.26 176.50 3jwe n ARG 97 N 2.84 0.80 -3.92 4.30 3.00 -1.26 -2.82 116.66 119.60 3jwe n ARG 97 Ca 0.08 0.29 -0.34 0.00 -0.01 0.00 0.00 57.85 57.88 3jwe n ARG 97 Cb 0.41 -1.92 0.00 0.00 0.00 0.00 0.00 32.46 30.95 3jwe n ARG 97 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3jwe n MET 98 N 4.68 -1.55 -3.91 5.56 2.81 -0.67 -5.02 117.12 119.03 3jwe n MET 98 Ca 0.27 0.31 -0.11 0.00 -1.81 0.00 0.00 57.70 56.36 3jwe n MET 98 Cb 0.08 -3.79 -0.12 0.00 -0.71 0.00 0.00 33.22 28.68 3jwe n MET 98 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3jwe s VAL 99 N -3.72 0.06 -0.13 2.03 -7.23 -1.13 -4.67 120.40 105.61 3jwe s VAL 99 Ca 0.29 -0.48 -0.12 0.00 -1.81 0.00 0.00 61.98 59.86 3jwe s VAL 99 Cb -0.13 -0.21 0.03 0.00 0.56 0.00 0.00 36.38 36.63 3jwe s VAL 99 CO 0.91 -0.27 0.35 0.54 -0.31 0.00 0.00 175.10 176.33 3jwe s VAL 100 N -0.82 -0.00 0.23 1.32 0.11 -1.26 -4.61 120.40 115.37 3jwe s VAL 100 Ca -0.09 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.89 3jwe s VAL 100 Cb -0.05 -0.50 0.21 0.00 -1.53 0.00 0.00 36.38 34.51 3jwe s VAL 100 CO -0.00 0.00 1.88 0.77 -3.33 0.00 0.00 175.10 174.42 3jwe h SER 101 N 5.64 1.08 -4.22 3.54 4.64 -2.01 -3.45 113.55 118.76 3jwe h SER 101 Ca -0.27 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 3jwe h SER 101 Cb 1.19 -0.27 -0.21 0.00 -0.31 0.00 0.00 62.40 62.79 3jwe h SER 101 CO 0.29 0.83 0.08 -0.62 -0.87 0.00 0.00 176.83 176.53 3jwe s ASP 102 N -6.13 -0.67 0.47 4.97 2.15 -1.26 -5.06 116.67 111.14 3jwe s ASP 102 Ca -0.13 1.17 0.22 0.00 0.43 0.00 0.00 52.55 54.24 3jwe s ASP 102 Cb 0.17 1.16 1.23 0.00 -0.30 0.00 0.00 42.92 45.17 3jwe s ASP 102 CO 0.82 -0.32 1.89 0.15 -0.17 0.00 0.00 175.17 177.54 3jwe h PHE 103 N 4.62 0.32 -0.35 -5.34 3.57 -1.86 -1.81 116.94 116.08 3jwe h PHE 103 Ca -0.28 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.33 3jwe h PHE 103 Cb 1.16 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3jwe h PHE 103 CO 0.39 0.09 0.28 1.25 -2.23 0.00 0.00 178.31 178.10 3jwe h HIS 104 N 0.25 0.00 -0.80 0.41 2.76 -1.97 -2.60 115.15 113.19 3jwe h HIS 104 Ca 0.41 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.77 3jwe h HIS 104 Cb 1.24 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.08 3jwe h HIS 104 CO -0.00 0.00 0.25 0.28 -1.30 0.00 0.00 177.93 177.16 3jwe h VAL 105 N 0.00 0.49 -0.63 5.26 2.07 -1.76 -0.17 116.25 121.50 3jwe h VAL 105 Ca 0.17 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.63 3jwe h VAL 105 Cb 0.73 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 3jwe h VAL 105 CO -0.00 0.06 0.36 -0.26 0.02 0.00 0.00 177.57 177.75 3jwe h PHE 106 N 0.31 0.67 -0.15 1.57 0.04 -1.69 -1.45 116.94 116.24 3jwe h PHE 106 Ca 0.47 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.22 3jwe h PHE 106 Cb 0.84 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 3jwe h PHE 106 CO -0.23 0.34 -0.06 0.28 -0.60 0.00 0.00 178.31 178.04 3jwe h VAL 107 N 0.69 1.31 -0.51 -0.55 2.07 -1.26 -2.36 116.25 115.64 3jwe h VAL 107 Ca 0.27 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.80 3jwe h VAL 107 Cb 0.13 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 3jwe h VAL 107 CO -0.15 0.32 0.07 -0.09 0.02 0.00 0.00 177.57 177.73 3jwe h ARG 108 N -0.02 0.19 -0.20 1.57 2.43 -0.90 -1.34 114.38 116.11 3jwe h ARG 108 Ca 0.03 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 3jwe h ARG 108 Cb 0.52 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3jwe h ARG 108 CO 0.02 0.13 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.82 3jwe h ASP 109 N 0.20 0.43 -0.01 -3.80 3.32 -1.23 -2.23 116.42 113.10 3jwe h ASP 109 Ca 0.26 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3jwe h ASP 109 Cb 0.37 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3jwe h ASP 109 CO -0.36 0.75 0.00 0.58 -1.72 0.00 0.00 179.24 178.49 3jwe h VAL 110 N 0.36 1.24 -0.50 -1.35 2.07 -1.11 -2.46 116.25 114.50 3jwe h VAL 110 Ca 0.04 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.91 3jwe h VAL 110 Cb 0.78 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 3jwe h VAL 110 CO 0.06 0.19 0.18 -0.07 0.02 0.00 0.00 177.57 177.95 3jwe h LEU 111 N -0.28 0.18 -0.36 2.57 3.38 -1.18 0.05 115.31 119.68 3jwe h LEU 111 Ca 0.00 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3jwe h LEU 111 Cb 0.31 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3jwe h LEU 111 CO 0.00 0.13 0.10 -0.61 0.09 0.00 0.00 178.44 178.15 3jwe h GLN 112 N 0.36 0.22 -0.24 1.13 4.15 -1.40 0.87 115.11 120.20 3jwe h GLN 112 Ca 0.24 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 3jwe h GLN 112 Cb 0.26 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3jwe h GLN 112 CO -0.25 0.15 0.05 1.25 -1.93 0.00 0.00 178.83 178.10 3jwe h HIS 113 N 0.23 0.41 -0.21 3.99 2.76 -0.90 -2.12 115.15 119.31 3jwe h HIS 113 Ca 0.17 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 3jwe h HIS 113 Cb 0.17 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3jwe h HIS 113 CO -0.17 0.49 0.05 0.28 -1.30 0.00 0.00 177.93 177.29 3jwe h VAL 114 N 0.21 0.93 -0.65 5.26 2.07 -0.73 -2.06 116.25 121.27 3jwe h VAL 114 Ca 0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3jwe h VAL 114 Cb 0.29 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3jwe h VAL 114 CO 0.00 0.03 0.34 0.44 0.02 0.00 0.00 177.57 178.40 3jwe h ASP 115 N 0.14 0.81 -0.08 0.57 3.32 -0.79 -0.67 116.42 119.73 3jwe h ASP 115 Ca 0.09 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3jwe h ASP 115 Cb 0.08 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3jwe h ASP 115 CO -0.11 0.67 0.02 0.28 -1.72 0.00 0.00 179.24 178.38 3jwe h SER 116 N 0.91 0.11 -0.34 6.45 0.02 -1.06 -2.68 113.55 116.96 3jwe h SER 116 Ca 0.23 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3jwe h SER 116 Cb 0.05 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3jwe h SER 116 CO -0.03 0.29 -0.01 0.24 -1.14 0.00 0.00 176.83 176.18 3jwe h MET 117 N -0.08 0.71 -0.38 3.45 2.86 -1.09 -2.91 114.93 117.50 3jwe h MET 117 Ca 0.02 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 3jwe h MET 117 Cb 0.22 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3jwe h MET 117 CO -0.00 0.73 -0.06 1.96 1.06 0.00 0.00 176.91 180.60 3jwe h GLN 118 N 0.66 0.63 -0.44 1.72 4.20 -1.08 -2.23 115.11 118.58 3jwe h GLN 118 Ca 0.13 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3jwe h GLN 118 Cb 0.43 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3jwe h GLN 118 CO 0.02 0.69 0.19 -0.22 -0.67 0.00 0.00 178.83 178.84 3jwe h LYS 119 N 0.59 0.65 0.00 1.46 3.11 -1.27 -2.33 116.57 118.78 3jwe h LYS 119 Ca 0.11 -0.11 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 3jwe h LYS 119 Cb 0.46 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 3jwe h LYS 119 CO 0.02 0.59 -0.32 -0.44 -2.81 0.00 0.00 179.45 176.49 3jwe h ASP 120 N 0.57 0.00 -2.12 4.20 3.32 -1.47 -3.35 116.42 117.57 3jwe h ASP 120 Ca 0.15 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.63 3jwe h ASP 120 Cb 0.17 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.31 3jwe h ASP 120 CO -0.01 0.32 -0.85 -1.22 -1.72 0.00 0.00 179.24 175.75 3jwe n TYR 121 N -3.38 1.96 -1.87 4.55 4.01 -0.85 -5.12 117.16 116.45 3jwe n TYR 121 Ca 0.01 -3.89 -0.35 0.00 -0.16 0.00 0.00 57.90 53.50 3jwe n TYR 121 Cb 0.52 -0.46 0.05 0.00 -0.31 0.00 0.00 39.34 39.14 3jwe n TYR 121 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3jwe s PRO 122 N -2.27 2.79 0.00 -0.72 0.04 -0.89 -3.41 135.00 130.54 3jwe s PRO 122 Ca 0.40 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3jwe s PRO 122 Cb 0.21 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.84 3jwe s PRO 122 CO -0.08 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.04 3jwe n GLY 123 N 0.38 2.52 3.76 0.56 0.00 -1.26 -5.01 105.19 106.14 3jwe n GLY 123 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3jwe n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwe s LEU 124 N 0.00 4.54 0.45 0.99 1.43 -1.22 -5.02 118.68 119.84 3jwe s LEU 124 Ca 0.00 2.30 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 3jwe s LEU 124 Cb 0.00 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3jwe s LEU 124 CO 0.00 -0.18 1.16 -2.84 0.23 0.00 0.00 176.35 174.72 3jwe s PRO 125 N -1.41 3.83 -0.12 1.29 0.02 -1.26 -4.81 135.00 132.53 3jwe s PRO 125 Ca 0.45 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3jwe s PRO 125 Cb -0.32 -2.46 -0.01 0.00 0.02 0.00 0.00 34.50 31.72 3jwe s PRO 125 CO 0.42 -0.49 -0.14 0.08 -0.33 0.00 0.00 177.00 176.53 3jwe s VAL 126 N -1.53 2.96 0.09 3.83 1.01 -1.26 -0.82 120.40 124.69 3jwe s VAL 126 Ca 0.62 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3jwe s VAL 126 Cb -0.29 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3jwe s VAL 126 CO 0.35 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.46 3jwe s PHE 127 N 0.31 2.58 -0.02 5.22 0.08 0.10 -0.98 117.98 125.28 3jwe s PHE 127 Ca -0.11 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.75 3jwe s PHE 127 Cb -0.16 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 3jwe s PHE 127 CO 0.06 0.36 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.86 3jwe s LEU 128 N -1.95 2.62 -0.10 -0.37 1.43 -0.79 -0.35 118.68 119.18 3jwe s LEU 128 Ca 0.18 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3jwe s LEU 128 Cb -0.11 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.62 3jwe s LEU 128 CO 0.09 0.32 -0.04 -0.22 0.23 0.00 0.00 176.35 176.73 3jwe s LEU 129 N -0.92 0.93 0.02 1.79 0.20 0.46 -0.72 118.68 120.44 3jwe s LEU 129 Ca 0.12 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.72 3jwe s LEU 129 Cb -0.10 -0.65 -0.01 0.00 -0.43 0.00 0.00 46.19 44.99 3jwe s LEU 129 CO 0.02 -0.16 -0.05 -0.83 -0.29 0.00 0.00 176.35 175.03 3jwe s GLY 130 N 1.83 0.32 -0.11 7.98 0.00 -0.37 0.57 107.32 117.54 3jwe s GLY 130 Ca 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3jwe s GLY 130 CO -0.07 -0.45 -0.11 -1.58 0.00 0.00 0.00 173.10 170.88 3jwe s HIS 131 N -0.71 1.72 0.00 1.90 5.04 -0.90 -1.37 115.29 120.97 3jwe s HIS 131 Ca -0.04 -0.84 0.00 0.00 -1.54 0.00 0.00 55.06 52.64 3jwe s HIS 131 Cb -0.06 -1.32 0.00 0.00 0.04 0.00 0.00 32.58 31.25 3jwe s HIS 131 CO -0.00 -0.49 0.00 0.45 -2.34 0.00 0.00 174.74 172.36 3jwe n SER 132 N 4.53 0.00 -0.32 9.88 2.88 -0.59 -2.09 113.62 127.91 3jwe n SER 132 Ca -0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 3jwe n SER 132 Cb 0.51 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.20 3jwe n SER 132 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3jwe h MET 133 N 0.00 0.74 0.00 -1.46 1.85 -1.87 0.87 114.93 115.07 3jwe h MET 133 Ca 0.00 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.04 3jwe h MET 133 Cb 0.00 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 31.86 3jwe h MET 133 CO 0.00 0.49 -0.02 0.78 -0.40 0.00 0.00 176.91 177.77 3jwe h GLY 134 N 0.77 0.00 0.62 1.39 0.00 -1.02 -0.87 103.07 103.96 3jwe h GLY 134 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.72 3jwe h GLY 134 CO -0.33 0.00 -0.36 -1.33 0.00 0.00 0.00 176.54 174.53 3jwe h GLY 135 N 0.34 0.32 0.99 4.60 0.00 0.67 -2.07 103.07 107.92 3jwe h GLY 135 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3jwe h GLY 135 CO 0.00 0.45 0.27 0.00 0.00 0.00 0.00 176.54 177.27 3jwe h ALA 136 N 0.34 0.56 -0.41 3.60 0.00 -0.97 -1.42 119.26 120.95 3jwe h ALA 136 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3jwe h ALA 136 Cb 1.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3jwe h ALA 136 CO 0.07 0.03 0.21 0.82 0.00 0.00 0.00 179.25 180.38 3jwe h ILE 137 N 0.58 0.98 -0.29 0.00 2.04 -1.26 -0.84 117.51 118.72 3jwe h ILE 137 Ca 0.16 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3jwe h ILE 137 Cb -0.02 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3jwe h ILE 137 CO -0.03 0.08 0.15 0.00 0.00 0.00 0.00 178.15 178.34 3jwe h ALA 138 N 1.22 0.37 0.03 1.87 0.00 -1.13 0.43 119.26 122.06 3jwe h ALA 138 Ca 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3jwe h ALA 138 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3jwe h ALA 138 CO -0.12 -0.07 -0.17 0.82 0.00 0.00 0.00 179.25 179.71 3jwe h ILE 139 N 0.34 0.60 0.00 0.00 2.04 -0.99 -0.64 117.51 118.86 3jwe h ILE 139 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 3jwe h ILE 139 Cb 0.10 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3jwe h ILE 139 CO -0.01 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.92 3jwe h LEU 140 N -0.30 0.00 -0.27 1.44 3.38 -1.02 -1.93 115.31 116.62 3jwe h LEU 140 Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 3jwe h LEU 140 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3jwe h LEU 140 CO -0.14 0.15 -0.78 0.74 0.09 0.00 0.00 178.44 178.50 3jwe h THR 141 N 0.00 1.33 -0.04 0.22 2.02 -0.11 -3.06 112.91 113.27 3jwe h THR 141 Ca -0.00 -2.10 -0.17 0.00 0.77 0.00 0.00 66.41 64.91 3jwe h THR 141 Cb 0.33 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3jwe h THR 141 CO 0.02 0.65 -0.72 0.00 0.37 0.00 0.00 175.52 175.84 3jwe h ALA 142 N 0.75 0.70 0.00 6.16 0.00 -0.69 -3.19 119.26 122.97 3jwe h ALA 142 Ca -0.05 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 3jwe h ALA 142 Cb 1.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3jwe h ALA 142 CO 0.15 0.80 -0.42 0.00 0.00 0.00 0.00 179.25 179.77 3jwe h ALA 143 N 1.08 1.30 0.00 0.00 0.00 -1.36 -2.95 119.26 117.32 3jwe h ALA 143 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 3jwe h ALA 143 Cb 1.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3jwe h ALA 143 CO 0.11 0.53 -0.54 1.49 0.00 0.00 0.00 179.25 180.83 3jwe h GLU 144 N 0.00 0.00 -2.35 0.00 4.81 -1.55 -3.38 114.58 112.12 3jwe h GLU 144 Ca -0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 3jwe h GLU 144 Cb 0.75 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.71 3jwe h GLU 144 CO 0.05 0.54 -0.71 0.54 -0.73 0.00 0.00 179.01 178.71 3jwe n ARG 145 N -3.34 1.89 -1.96 1.92 5.12 -1.12 -5.11 116.66 114.07 3jwe n ARG 145 Ca 0.01 -4.26 -0.41 0.00 -1.93 0.00 0.00 57.85 51.25 3jwe n ARG 145 Cb 0.70 -2.03 -0.02 0.00 -1.16 0.00 0.00 32.46 29.96 3jwe n ARG 145 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3jwe s PRO 146 N -1.87 4.24 -0.17 5.56 0.02 -1.22 -2.71 135.00 138.84 3jwe s PRO 146 Ca 0.36 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.75 3jwe s PRO 146 Cb 0.11 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.56 3jwe s PRO 146 CO -0.07 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3jwe n GLY 147 N 1.56 0.39 0.13 0.52 0.00 -1.26 -4.88 105.19 101.65 3jwe n GLY 147 Ca 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 3jwe n GLY 147 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3jwe h HIS 148 N 0.00 0.52 -2.70 1.61 6.17 -1.87 -3.47 115.15 115.41 3jwe h HIS 148 Ca -0.03 -0.38 -0.66 0.00 0.71 0.00 0.00 60.37 60.00 3jwe h HIS 148 Cb 0.54 -0.02 -0.07 0.00 2.52 0.00 0.00 27.41 30.38 3jwe h HIS 148 CO 0.32 1.55 -0.47 -0.06 0.71 0.00 0.00 177.93 179.98 3jwe s PHE 149 N -2.59 3.59 0.24 5.26 0.08 -1.26 -4.66 117.98 118.65 3jwe s PHE 149 Ca -0.14 0.54 0.31 0.00 0.12 0.00 0.00 56.93 57.76 3jwe s PHE 149 Cb 0.06 -1.97 1.40 0.00 -0.57 0.00 0.00 43.02 41.94 3jwe s PHE 149 CO 0.83 0.70 2.01 0.00 -0.10 0.00 0.00 175.22 178.67 3jwe h ALA 150 N 5.09 1.06 0.00 5.36 0.00 -1.42 -3.44 119.26 125.92 3jwe h ALA 150 Ca -0.54 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3jwe h ALA 150 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jwe h ALA 150 CO 0.59 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.35 3jwe n GLY 151 N -0.22 0.97 2.76 0.00 0.00 -1.25 -4.59 105.19 102.86 3jwe n GLY 151 Ca -0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 3jwe n GLY 151 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3jwe s MET 152 N -2.00 0.02 -0.20 1.61 1.75 0.35 -1.88 119.30 118.96 3jwe s MET 152 Ca 0.00 0.20 -0.02 0.00 -1.25 0.00 0.00 55.69 54.62 3jwe s MET 152 Cb 0.00 -0.33 -0.00 0.00 2.84 0.00 0.00 34.83 37.34 3jwe s MET 152 CO 0.00 -0.19 -0.10 0.54 -0.65 0.00 0.00 175.02 174.63 3jwe s VAL 153 N 1.23 2.99 -0.23 10.11 0.11 0.11 -1.50 120.40 133.21 3jwe s VAL 153 Ca -0.07 -0.63 -0.02 0.00 -2.93 0.00 0.00 61.98 58.33 3jwe s VAL 153 Cb -0.13 -2.32 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 3jwe s VAL 153 CO -0.03 0.47 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.37 3jwe s LEU 154 N 1.27 2.99 -0.42 2.54 1.43 0.24 -1.24 118.68 125.50 3jwe s LEU 154 Ca 0.03 -0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 3jwe s LEU 154 Cb -0.14 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.47 3jwe s LEU 154 CO -0.05 -0.09 0.29 -0.63 0.23 0.00 0.00 176.35 176.11 3jwe s ILE 155 N 1.34 4.94 -0.69 -0.59 1.01 -0.47 -0.75 121.20 125.99 3jwe s ILE 155 Ca 0.02 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3jwe s ILE 155 Cb -0.16 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3jwe s ILE 155 CO -0.06 -0.38 0.57 -1.54 0.00 0.00 0.00 174.94 173.53 3jwe n SER 156 N 5.10 -4.57 -4.85 3.58 3.41 0.13 -2.48 113.62 113.94 3jwe n SER 156 Ca -0.11 -0.75 -0.32 0.00 -0.26 0.00 0.00 58.87 57.43 3jwe n SER 156 Cb 0.45 -1.47 -0.02 0.00 -0.26 0.00 0.00 64.21 62.91 3jwe n SER 156 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3jwe s PRO 157 N -4.23 3.80 -0.65 4.33 0.04 -1.26 -1.54 135.00 135.49 3jwe s PRO 157 Ca 0.08 0.87 -0.27 0.00 0.04 0.00 0.00 61.00 61.72 3jwe s PRO 157 Cb -0.01 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.44 3jwe s PRO 157 CO 0.83 -0.40 1.44 -1.17 0.04 0.00 0.00 177.00 177.74 3jwe s LEU 158 N -4.53 3.28 0.00 -3.56 2.96 -0.95 -4.72 118.68 111.15 3jwe s LEU 158 Ca 0.57 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3jwe s LEU 158 Cb -0.10 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.85 3jwe s LEU 158 CO 0.41 -1.89 0.00 1.33 -1.32 0.00 0.00 176.35 174.87 3jwe n VAL 159 N 6.71 0.00 -4.39 1.68 0.24 -1.26 -4.19 118.33 117.12 3jwe n VAL 159 Ca 0.10 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.21 3jwe n VAL 159 Cb 0.50 -0.33 -0.15 0.00 -1.47 0.00 0.00 33.84 32.39 3jwe n VAL 159 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3jwe s LEU 160 N -2.32 2.03 0.01 1.34 2.96 -1.26 -4.80 118.68 116.64 3jwe s LEU 160 Ca 0.00 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3jwe s LEU 160 Cb 0.00 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 3jwe s LEU 160 CO 0.00 0.11 0.08 0.00 -1.32 0.00 0.00 176.35 175.22 3jwe s ALA 161 N -0.29 3.59 0.10 5.97 0.00 -1.26 -4.80 121.76 125.07 3jwe s ALA 161 Ca 0.03 -0.89 -0.33 0.00 0.00 0.00 0.00 51.96 50.78 3jwe s ALA 161 Cb -0.04 -1.56 -0.12 0.00 0.00 0.00 0.00 23.12 21.40 3jwe s ALA 161 CO -0.00 0.70 1.77 -1.71 0.00 0.00 0.00 175.76 176.51 3jwe n ASN 162 N 1.08 3.67 0.12 0.00 5.15 -1.26 -4.85 115.26 119.17 3jwe n ASN 162 Ca -0.12 1.02 0.02 0.00 -0.60 0.00 0.00 54.58 54.89 3jwe n ASN 162 Cb 0.52 -1.48 0.36 0.00 -0.53 0.00 0.00 39.78 38.65 3jwe n ASN 162 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3jwe h PRO 163 N 7.82 0.21 -0.71 1.20 0.13 -1.97 -2.83 132.00 135.84 3jwe h PRO 163 Ca -0.46 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 3jwe h PRO 163 Cb 1.24 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3jwe h PRO 163 CO 0.93 0.41 0.02 -0.85 -0.23 0.00 0.00 178.00 178.28 3jwe n GLU 164 N -4.22 3.71 0.00 0.86 0.28 -1.26 -3.04 120.64 116.98 3jwe n GLU 164 Ca -0.01 -2.23 0.00 0.00 -0.16 0.00 0.00 57.16 54.76 3jwe n GLU 164 Cb 0.32 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.15 3jwe n GLU 164 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3jwe n SER 165 N 0.41 0.48 -0.65 -1.84 3.41 -1.07 -4.84 113.62 109.52 3jwe n SER 165 Ca 0.20 -1.05 0.06 0.00 -0.26 0.00 0.00 58.87 57.82 3jwe n SER 165 Cb 0.94 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 65.03 3jwe n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jwe n ALA 166 N -0.03 2.94 -1.15 7.33 0.00 -1.17 -4.70 120.51 123.74 3jwe n ALA 166 Ca 0.00 -2.76 -0.29 0.00 0.00 0.00 0.00 53.44 50.39 3jwe n ALA 166 Cb 0.18 -0.45 0.16 0.00 0.00 0.00 0.00 19.45 19.34 3jwe n ALA 166 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3jwe s THR 167 N -2.23 2.41 0.27 0.00 -4.23 -1.25 -4.68 115.64 105.93 3jwe s THR 167 Ca 0.32 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.96 3jwe s THR 167 Cb 0.32 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.84 3jwe s THR 167 CO -0.06 -0.17 1.84 0.71 -0.54 0.00 0.00 174.62 176.39 3jwe h THR 168 N -1.73 0.95 0.29 3.99 1.35 -1.98 0.10 112.91 115.88 3jwe h THR 168 Ca -0.52 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 3jwe h THR 168 Cb 1.30 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3jwe h THR 168 CO 0.55 0.18 -0.14 0.15 -0.25 0.00 0.00 175.52 176.01 3jwe h PHE 169 N 0.99 -0.36 -0.42 4.73 3.57 -1.99 -1.15 116.94 122.31 3jwe h PHE 169 Ca 0.46 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 3jwe h PHE 169 Cb 0.40 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3jwe h PHE 169 CO -0.02 -0.11 0.21 0.87 -2.23 0.00 0.00 178.31 177.03 3jwe h LYS 170 N -0.57 0.57 -0.16 1.11 1.79 -1.67 0.39 116.57 118.03 3jwe h LYS 170 Ca -0.04 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.29 3jwe h LYS 170 Cb 0.42 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3jwe h LYS 170 CO 0.07 0.44 -0.23 0.28 -1.08 0.00 0.00 179.45 178.92 3jwe h VAL 171 N 0.58 1.35 -0.49 0.50 2.07 -0.82 -2.37 116.25 117.07 3jwe h VAL 171 Ca 0.15 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 3jwe h VAL 171 Cb 0.05 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3jwe h VAL 171 CO -0.02 0.43 0.21 0.25 0.02 0.00 0.00 177.57 178.46 3jwe h LEU 172 N 0.06 0.66 -0.01 2.57 5.85 -0.83 -1.07 115.31 122.54 3jwe h LEU 172 Ca 0.01 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3jwe h LEU 172 Cb 0.80 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3jwe h LEU 172 CO 0.05 0.64 -0.20 0.00 -0.34 0.00 0.00 178.44 178.59 3jwe h ALA 173 N 1.05 -0.24 -0.17 1.25 0.00 -0.97 -1.26 119.26 118.92 3jwe h ALA 173 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3jwe h ALA 173 Cb 0.17 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3jwe h ALA 173 CO -0.02 -0.69 0.11 0.00 0.00 0.00 0.00 179.25 178.65 3jwe h ALA 174 N 0.59 0.22 -0.80 0.00 0.00 -1.33 -1.59 119.26 116.34 3jwe h ALA 174 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3jwe h ALA 174 Cb 0.40 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3jwe h ALA 174 CO -0.20 -0.28 0.53 0.87 0.00 0.00 0.00 179.25 180.17 3jwe h LYS 175 N 0.21 1.04 -0.30 0.00 1.57 -1.02 0.16 116.57 118.23 3jwe h LYS 175 Ca 0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3jwe h LYS 175 Cb 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3jwe h LYS 175 CO -0.01 0.69 -0.03 0.28 -0.57 0.00 0.00 179.45 179.81 3jwe h VAL 176 N 1.07 1.27 -0.66 0.50 2.07 -1.06 -3.00 116.25 116.44 3jwe h VAL 176 Ca 0.30 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3jwe h VAL 176 Cb -0.10 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3jwe h VAL 176 CO -0.07 0.32 0.26 0.25 0.02 0.00 0.00 177.57 178.36 3jwe h LEU 177 N 0.33 0.89 -1.95 2.57 5.85 -0.79 -2.74 115.31 119.47 3jwe h LEU 177 Ca 0.08 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3jwe h LEU 177 Cb 0.48 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3jwe h LEU 177 CO 0.02 0.79 0.07 -1.13 -0.34 0.00 0.00 178.44 177.85 3jwe h ASN 178 N 0.95 0.05 0.48 1.25 -0.73 -0.56 0.33 115.58 117.36 3jwe h ASN 178 Ca 0.22 -0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.23 3jwe h ASN 178 Cb 0.18 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 3jwe h ASN 178 CO -0.02 0.04 -0.72 -0.07 -0.37 0.00 0.00 177.43 176.29 3jwe h LEU 179 N 0.06 0.23 0.00 0.34 3.38 -1.46 -3.04 115.31 114.82 3jwe h LEU 179 Ca 0.04 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 57.61 3jwe h LEU 179 Cb 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3jwe h LEU 179 CO -0.01 0.87 -1.56 0.52 0.09 0.00 0.00 178.44 178.36 3jwe n VAL 180 N -3.77 1.51 -3.43 1.22 0.31 -0.89 -4.81 118.33 108.47 3jwe n VAL 180 Ca -0.03 -0.09 -0.26 0.00 -0.01 0.00 0.00 64.34 63.95 3jwe n VAL 180 Cb 0.70 -2.08 -0.08 0.00 -0.91 0.00 0.00 33.84 31.46 3jwe n VAL 180 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3jwe n LEU 181 N -4.40 2.45 0.22 7.52 4.77 0.11 -4.95 117.00 122.72 3jwe n LEU 181 Ca -0.34 -5.15 0.05 0.00 -0.03 0.00 0.00 56.01 50.55 3jwe n LEU 181 Cb 0.67 -0.26 0.48 0.00 -2.33 0.00 0.00 43.42 41.97 3jwe n LEU 181 CO 0.12 2.00 0.85 1.55 -1.33 0.00 0.00 177.39 180.59 3jwe h PRO 182 N 4.41 0.00 -0.00 3.23 0.13 -1.67 -2.38 132.00 135.73 3jwe h PRO 182 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3jwe h PRO 182 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3jwe h PRO 182 CO 0.69 0.24 -0.00 0.09 -0.23 0.00 0.00 178.00 178.78 3jwe n ASN 183 N -4.17 0.02 -4.66 1.44 4.13 -1.26 -3.10 115.26 107.65 3jwe n ASN 183 Ca -0.02 -0.20 -0.42 0.00 1.68 0.00 0.00 54.58 55.62 3jwe n ASN 183 Cb 0.30 -0.26 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 3jwe n ASN 183 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3jwe s LEU 184 N -2.54 4.36 0.43 3.41 2.96 -0.90 -4.80 118.68 121.61 3jwe s LEU 184 Ca 0.30 2.51 -0.11 0.00 -0.22 0.00 0.00 54.13 56.61 3jwe s LEU 184 Cb 0.20 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.30 3jwe s LEU 184 CO 0.46 -1.06 0.80 -0.55 -1.32 0.00 0.00 176.35 174.68 3jwe s SER 185 N 4.28 6.51 0.08 3.68 0.15 -1.26 -1.38 113.70 125.76 3jwe s SER 185 Ca 0.85 1.17 0.26 0.00 0.70 0.00 0.00 55.95 58.93 3jwe s SER 185 Cb -0.40 -2.34 0.70 0.00 -1.71 0.00 0.00 66.02 62.27 3jwe s SER 185 CO 0.38 -0.44 1.59 -0.11 1.20 0.00 0.00 173.24 175.85 3jwe n LEU 186 N -1.43 0.50 0.00 3.45 7.94 0.17 -4.92 117.00 122.71 3jwe n LEU 186 Ca 0.03 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 3jwe n LEU 186 Cb 0.54 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.18 3jwe n LEU 186 CO 0.48 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.35 3jwe n GLY 187 N 1.42 1.08 3.64 -3.96 0.00 -1.26 -4.89 105.19 101.21 3jwe n GLY 187 Ca 0.05 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 3jwe n GLY 187 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jwe n PRO 188 N 2.32 1.65 -1.81 1.61 -0.02 -1.26 -4.51 135.00 132.98 3jwe n PRO 188 Ca 0.00 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 3jwe n PRO 188 Cb 0.00 -2.10 0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3jwe n PRO 188 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3jwe s ILE 189 N -1.15 4.09 -0.40 4.25 1.10 -1.26 -4.96 121.20 122.88 3jwe s ILE 189 Ca 0.59 0.79 -0.29 0.00 -0.51 0.00 0.00 60.65 61.23 3jwe s ILE 189 Cb -0.60 -3.48 0.02 0.00 0.15 0.00 0.00 42.46 38.56 3jwe s ILE 189 CO 0.60 -0.78 1.08 -0.62 -2.11 0.00 0.00 174.94 173.11 3jwe s ASP 190 N -3.50 6.76 0.43 4.50 2.15 -1.26 -4.90 116.67 120.85 3jwe s ASP 190 Ca 0.59 0.71 0.25 0.00 0.43 0.00 0.00 52.55 54.53 3jwe s ASP 190 Cb -0.14 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 41.30 3jwe s ASP 190 CO 0.48 -1.05 1.74 0.77 -0.17 0.00 0.00 175.17 176.93 3jwe h SER 191 N 8.67 0.00 0.89 -0.34 4.64 -1.99 -2.19 113.55 123.23 3jwe h SER 191 Ca -0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 3jwe h SER 191 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3jwe h SER 191 CO 1.07 0.00 -0.07 0.77 -0.87 0.00 0.00 176.83 177.73 3jwe h SER 192 N 0.00 0.00 1.11 4.97 4.64 -1.90 -2.95 113.55 119.42 3jwe h SER 192 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jwe h SER 192 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3jwe h SER 192 CO 0.00 0.07 0.00 1.33 -0.87 0.00 0.00 176.83 177.36 3jwe n VAL 193 N -3.21 0.62 -0.02 0.95 0.24 -0.82 -3.83 118.33 112.26 3jwe n VAL 193 Ca 0.00 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.34 62.12 3jwe n VAL 193 Cb 0.32 -0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 31.81 3jwe n VAL 193 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3jwe h LEU 194 N 0.00 0.01 -7.58 1.34 4.07 -1.72 -3.34 115.31 108.10 3jwe h LEU 194 Ca 0.00 -0.52 -0.12 0.00 0.08 0.00 0.00 57.88 57.33 3jwe h LEU 194 Cb 0.56 -0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.10 3jwe h LEU 194 CO 0.00 0.52 -0.31 -0.55 -1.08 0.00 0.00 178.44 177.02 3jwe s SER 195 N -5.73 -0.12 0.33 -0.43 0.15 -1.25 -1.10 113.70 105.55 3jwe s SER 195 Ca -0.16 -0.05 0.24 0.00 0.70 0.00 0.00 55.95 56.68 3jwe s SER 195 Cb 0.01 0.30 0.53 0.00 -1.71 0.00 0.00 66.02 65.16 3jwe s SER 195 CO 0.68 -0.48 1.66 0.03 1.20 0.00 0.00 173.24 176.33 3jwe h ARG 196 N 3.76 0.00 -6.45 5.44 3.08 -1.88 -3.44 114.38 114.90 3jwe h ARG 196 Ca -0.30 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.20 3jwe h ARG 196 Cb 1.18 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.17 3jwe h ARG 196 CO 0.42 0.00 1.07 1.21 -1.07 0.00 0.00 179.97 181.60 3jwe s ASN 197 N -5.44 6.21 0.44 7.04 3.84 -1.26 -4.93 114.94 120.84 3jwe s ASN 197 Ca 0.08 0.19 0.10 0.00 0.21 0.00 0.00 52.86 53.45 3jwe s ASN 197 Cb 0.08 -2.55 0.97 0.00 -0.55 0.00 0.00 41.25 39.21 3jwe s ASN 197 CO 0.64 -1.66 2.06 0.11 -2.79 0.00 0.00 177.10 175.46 3jwe h LYS 198 N 10.61 0.41 -0.04 0.43 1.57 -1.96 -2.52 116.57 125.07 3jwe h LYS 198 Ca -0.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3jwe h LYS 198 Cb 1.08 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3jwe h LYS 198 CO 1.19 0.27 0.00 1.15 -0.57 0.00 0.00 179.45 181.49 3jwe h THR 199 N 0.43 1.23 -0.19 -0.16 2.02 -1.98 -2.67 112.91 111.59 3jwe h THR 199 Ca 0.15 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3jwe h THR 199 Cb 0.09 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3jwe h THR 199 CO -0.04 0.19 -0.01 -0.33 0.37 0.00 0.00 175.52 175.70 3jwe h GLU 200 N -0.21 0.27 -0.45 6.66 4.39 -1.80 -0.78 114.58 122.66 3jwe h GLU 200 Ca 0.01 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 3jwe h GLU 200 Cb 0.29 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3jwe h GLU 200 CO 0.00 0.31 -0.18 0.28 -1.16 0.00 0.00 179.01 178.26 3jwe h VAL 201 N 0.27 1.27 -0.64 3.13 2.07 -1.45 -1.89 116.25 119.01 3jwe h VAL 201 Ca 0.06 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 3jwe h VAL 201 Cb 0.21 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3jwe h VAL 201 CO 0.01 0.45 0.10 0.44 0.02 0.00 0.00 177.57 178.59 3jwe h ASP 202 N 0.76 1.00 -0.13 0.57 3.32 -0.95 -0.03 116.42 120.96 3jwe h ASP 202 Ca 0.11 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3jwe h ASP 202 Cb 0.74 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3jwe h ASP 202 CO 0.06 1.00 0.06 0.40 -1.72 0.00 0.00 179.24 179.03 3jwe h ILE 203 N 0.98 1.13 0.23 0.35 2.04 -1.11 -2.75 117.51 118.38 3jwe h ILE 203 Ca 0.20 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3jwe h ILE 203 Cb 0.43 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3jwe h ILE 203 CO 0.01 0.12 -0.30 0.22 0.00 0.00 0.00 178.15 178.20 3jwe h TYR 204 N 0.07 -0.81 0.00 1.37 3.20 -1.11 -2.33 116.97 117.34 3jwe h TYR 204 Ca 0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3jwe h TYR 204 Cb 0.14 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3jwe h TYR 204 CO -0.02 -0.42 0.00 0.09 -1.64 0.00 0.00 178.16 176.16 3jwe n ASN 205 N -5.41 0.39 -0.15 -2.11 5.03 -0.05 -2.77 115.26 110.19 3jwe n ASN 205 Ca -0.08 0.68 0.02 0.00 0.87 0.00 0.00 54.58 56.07 3jwe n ASN 205 Cb 0.32 -0.73 0.02 0.00 -1.02 0.00 0.00 39.78 38.37 3jwe n ASN 205 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3jwe n SER 206 N -2.02 1.37 -4.66 6.41 3.41 -0.97 -5.01 113.62 112.17 3jwe n SER 206 Ca -0.01 -1.21 -0.43 0.00 -0.26 0.00 0.00 58.87 56.96 3jwe n SER 206 Cb 0.03 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3jwe n SER 206 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jwe s ASP 207 N -0.35 7.04 0.56 4.04 -1.08 -0.92 -4.94 116.67 121.01 3jwe s ASP 207 Ca 0.05 1.39 0.35 0.00 -0.52 0.00 0.00 52.55 53.81 3jwe s ASP 207 Cb 0.03 -2.54 1.56 0.00 -1.46 0.00 0.00 42.92 40.51 3jwe s ASP 207 CO 0.05 -0.73 2.04 1.55 0.52 0.00 0.00 175.17 178.60 3jwe h PRO 208 N 7.73 0.00 0.00 4.34 0.13 -1.93 -2.70 132.00 139.57 3jwe h PRO 208 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3jwe h PRO 208 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3jwe h PRO 208 CO 0.99 0.00 -0.12 1.28 -0.23 0.00 0.00 178.00 179.92 3jwe n LEU 209 N -3.03 0.15 -4.72 1.56 4.77 -1.26 -4.81 117.00 109.66 3jwe n LEU 209 Ca -0.00 0.39 -0.39 0.00 -0.03 0.00 0.00 56.01 55.98 3jwe n LEU 209 Cb 0.25 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 3jwe n LEU 209 CO 0.25 0.02 0.31 -0.63 -1.33 0.00 0.00 177.39 176.01 3jwe s ILE 210 N -3.01 5.09 -0.55 -0.08 1.01 -1.02 -3.94 121.20 118.70 3jwe s ILE 210 Ca 0.13 1.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.84 3jwe s ILE 210 Cb 0.18 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.77 3jwe s ILE 210 CO 0.57 0.29 0.73 0.00 0.00 0.00 0.00 174.94 176.52 3jwe n ARG 212 N 6.56 1.27 -1.44 0.00 1.74 -1.26 -4.69 116.66 118.83 3jwe n ARG 212 Ca -0.06 -0.83 -0.34 0.00 -0.77 0.00 0.00 57.85 55.85 3jwe n ARG 212 Cb 0.45 -1.48 0.09 0.00 -1.02 0.00 0.00 32.46 30.50 3jwe n ARG 212 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwe s ALA 213 N -2.30 2.13 1.02 7.54 0.00 -1.26 -4.66 121.76 124.22 3jwe s ALA 213 Ca 0.28 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 3jwe s ALA 213 Cb 0.20 -3.47 0.20 0.00 0.00 0.00 0.00 23.12 20.05 3jwe s ALA 213 CO 0.45 -1.87 1.08 0.20 0.00 0.00 0.00 175.76 175.63 3jwe s GLY 214 N -2.03 1.61 0.00 0.00 0.00 -1.26 -4.82 107.32 100.81 3jwe s GLY 214 Ca 0.74 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 45.26 3jwe s GLY 214 CO 0.45 0.66 1.42 -2.27 0.00 0.00 0.00 173.10 173.37 3jwe s LEU 215 N -6.77 4.32 0.34 0.66 2.96 -1.26 -4.59 118.68 114.34 3jwe s LEU 215 Ca 0.67 2.14 -0.22 0.00 -0.22 0.00 0.00 54.13 56.49 3jwe s LEU 215 Cb -0.22 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.81 3jwe s LEU 215 CO 0.60 -0.74 0.89 -0.54 -1.32 0.00 0.00 176.35 175.24 3jwe s LYS 216 N 2.46 4.33 0.19 1.98 1.02 -1.26 0.46 119.74 128.92 3jwe s LYS 216 Ca 0.65 1.10 -0.19 0.00 0.02 0.00 0.00 55.97 57.54 3jwe s LYS 216 Cb -0.32 -2.55 0.13 0.00 -0.52 0.00 0.00 37.83 34.58 3jwe s LYS 216 CO 0.27 0.17 1.60 0.28 -0.92 0.00 0.00 175.35 176.75 3jwe h VAL 217 N 2.30 0.25 -0.33 3.17 2.07 -1.22 -0.46 116.25 122.04 3jwe h VAL 217 Ca -0.48 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3jwe h VAL 217 Cb 1.19 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3jwe h VAL 217 CO 0.64 0.00 0.12 0.00 0.02 0.00 0.00 177.57 178.35 3jwe h PHE 219 N 0.27 0.64 -0.89 0.00 3.57 -1.74 -2.28 116.94 116.51 3jwe h PHE 219 Ca 0.15 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.56 3jwe h PHE 219 Cb 0.11 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3jwe h PHE 219 CO -0.13 0.69 0.58 0.78 -2.23 0.00 0.00 178.31 178.00 3jwe h GLY 220 N 0.95 1.27 0.93 2.40 0.00 -0.51 -1.01 103.07 107.10 3jwe h GLY 220 Ca 0.10 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3jwe h GLY 220 CO 0.03 0.42 0.10 -2.22 0.00 0.00 0.00 176.54 174.87 3jwe h ILE 221 N 1.17 1.11 -0.70 2.60 2.04 -0.89 -2.85 117.51 120.00 3jwe h ILE 221 Ca 0.34 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3jwe h ILE 221 Cb -0.08 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3jwe h ILE 221 CO -0.09 0.11 0.46 1.56 0.00 0.00 0.00 178.15 180.19 3jwe h GLN 222 N 0.18 0.84 0.00 2.37 1.08 -0.82 -1.93 115.11 116.84 3jwe h GLN 222 Ca 0.06 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 3jwe h GLN 222 Cb 0.09 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3jwe h GLN 222 CO -0.01 0.56 -0.44 -0.07 -0.95 0.00 0.00 178.83 177.92 3jwe h LEU 223 N 0.87 0.00 -0.39 1.46 3.38 -1.12 -2.18 115.31 117.33 3jwe h LEU 223 Ca 0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 3jwe h LEU 223 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3jwe h LEU 223 CO -0.07 0.44 -0.77 -0.07 0.09 0.00 0.00 178.44 178.06 3jwe h LEU 224 N 0.00 0.39 -0.12 1.67 3.38 -1.14 -2.45 115.31 117.05 3jwe h LEU 224 Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3jwe h LEU 224 Cb 0.92 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3jwe h LEU 224 CO 0.06 1.02 0.05 0.78 0.09 0.00 0.00 178.44 180.44 3jwe h ASN 225 N 0.21 0.16 -0.56 -0.43 2.35 -1.14 -1.80 115.58 114.37 3jwe h ASN 225 Ca -0.04 -0.14 0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3jwe h ASN 225 Cb 1.35 -0.04 -0.09 0.00 0.05 0.00 0.00 38.32 39.59 3jwe h ASN 225 CO 0.13 0.26 0.04 0.00 -1.65 0.00 0.00 177.43 176.21 3jwe h ALA 226 N 0.91 0.58 -0.65 -0.83 0.00 -1.36 0.11 119.26 118.01 3jwe h ALA 226 Ca 0.04 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3jwe h ALA 226 Cb 0.15 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3jwe h ALA 226 CO -0.00 -0.36 0.38 0.28 0.00 0.00 0.00 179.25 179.54 3jwe h VAL 227 N 0.16 1.20 -0.29 0.00 2.07 -1.24 0.58 116.25 118.72 3jwe h VAL 227 Ca 0.29 -0.46 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 3jwe h VAL 227 Cb 0.44 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3jwe h VAL 227 CO -0.44 0.21 -0.30 -1.28 0.02 0.00 0.00 177.57 175.78 3jwe h SER 228 N 0.89 0.63 0.55 0.57 0.87 -0.50 -1.82 113.55 114.74 3jwe h SER 228 Ca 0.23 -0.24 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 3jwe h SER 228 Cb 0.00 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3jwe h SER 228 CO -0.04 0.89 -1.00 0.03 -0.53 0.00 0.00 176.83 176.18 3jwe h ARG 229 N 0.52 0.27 -0.34 2.24 3.08 -0.50 -2.52 114.38 117.13 3jwe h ARG 229 Ca 0.06 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 3jwe h ARG 229 Cb 0.78 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3jwe h ARG 229 CO 0.06 1.07 -0.02 0.28 -1.07 0.00 0.00 179.97 180.30 3jwe h VAL 230 N 0.13 1.26 -0.51 2.04 2.07 -0.79 -1.87 116.25 118.58 3jwe h VAL 230 Ca -0.08 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.50 3jwe h VAL 230 Cb 1.66 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 3jwe h VAL 230 CO 0.16 0.33 0.22 -0.08 0.02 0.00 0.00 177.57 178.22 3jwe h GLU 231 N 0.42 0.41 0.00 1.57 4.81 -1.32 -2.10 114.58 118.36 3jwe h GLU 231 Ca 0.09 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3jwe h GLU 231 Cb 0.48 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3jwe h GLU 231 CO 0.02 0.27 -0.37 0.00 -0.73 0.00 0.00 179.01 178.20 3jwe h ARG 232 N 0.42 0.00 0.00 1.92 3.08 -1.37 -3.26 114.38 115.17 3jwe h ARG 232 Ca 0.24 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 3jwe h ARG 232 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3jwe h ARG 232 CO -0.21 0.37 -0.93 0.00 -1.07 0.00 0.00 179.97 178.12 3jwe h ALA 233 N 1.63 0.53 -0.80 0.04 0.00 -0.79 -3.39 119.26 116.48 3jwe h ALA 233 Ca -0.00 -0.80 0.19 0.00 0.00 0.00 0.00 54.91 54.29 3jwe h ALA 233 Cb 0.84 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 3jwe h ALA 233 CO 0.05 1.04 0.20 -0.07 0.00 0.00 0.00 179.25 180.47 3jwe h LEU 234 N 0.00 -0.00 -0.67 0.00 3.38 -1.44 -0.66 115.31 115.92 3jwe h LEU 234 Ca -0.05 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3jwe h LEU 234 Cb 1.65 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3jwe h LEU 234 CO 0.10 -0.09 0.00 -2.65 0.09 0.00 0.00 178.44 175.89 3jwe n PRO 235 N -5.19 0.08 -0.01 1.13 -0.02 -1.26 -2.00 135.00 127.74 3jwe n PRO 235 Ca 0.17 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 62.19 3jwe n PRO 235 Cb 0.55 -1.73 0.02 0.00 -0.02 0.00 0.00 33.50 32.32 3jwe n PRO 235 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3jwe n LYS 236 N -1.90 0.02 -2.38 -0.52 2.85 -0.30 -4.73 118.16 111.20 3jwe n LYS 236 Ca 0.00 -0.87 -0.43 0.00 -1.05 0.00 0.00 58.31 55.97 3jwe n LYS 236 Cb 0.06 -1.08 -0.02 0.00 -0.65 0.00 0.00 35.03 33.35 3jwe n LYS 236 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3jwe s LEU 237 N -0.42 3.57 0.00 -5.58 2.96 -0.85 -4.86 118.68 113.51 3jwe s LEU 237 Ca 0.05 0.74 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 3jwe s LEU 237 Cb 0.03 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 3jwe s LEU 237 CO 0.05 -1.44 0.33 0.35 -1.32 0.00 0.00 176.35 174.32 3jwe n THR 238 N 7.05 0.00 -1.82 3.68 -2.24 -1.26 -1.46 114.28 118.23 3jwe n THR 238 Ca 0.16 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 3jwe n THR 238 Cb 0.48 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 3jwe n THR 238 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jwe s VAL 239 N -1.38 2.17 0.21 2.28 0.11 -1.26 -4.39 120.40 118.14 3jwe s VAL 239 Ca 0.03 0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.91 3jwe s VAL 239 Cb 0.05 -3.09 -0.11 0.00 -1.53 0.00 0.00 36.38 31.69 3jwe s VAL 239 CO 0.21 0.02 1.62 -2.84 -3.33 0.00 0.00 175.10 170.79 3jwe s PRO 240 N -0.36 4.17 0.04 1.54 0.02 -1.26 -4.76 135.00 134.39 3jwe s PRO 240 Ca 0.63 2.49 0.02 0.00 0.02 0.00 0.00 61.00 64.17 3jwe s PRO 240 Cb -0.47 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 3jwe s PRO 240 CO 0.46 -0.65 -0.08 -0.59 -0.33 0.00 0.00 177.00 175.81 3jwe s PHE 241 N 0.82 0.66 -0.17 6.54 -0.71 0.07 -0.49 117.98 124.69 3jwe s PHE 241 Ca 0.69 -0.48 -0.02 0.00 -1.04 0.00 0.00 56.93 56.08 3jwe s PHE 241 Cb -0.47 -0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 40.94 3jwe s PHE 241 CO 0.36 -0.08 -0.09 -1.17 -1.34 0.00 0.00 175.22 172.90 3jwe s LEU 242 N -1.51 2.81 -0.20 -1.99 2.96 -0.56 -1.55 118.68 118.64 3jwe s LEU 242 Ca -0.09 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3jwe s LEU 242 Cb -0.10 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3jwe s LEU 242 CO 0.00 0.08 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.75 3jwe s LEU 243 N 0.84 2.50 -0.21 -0.68 2.96 0.27 -0.59 118.68 123.77 3jwe s LEU 243 Ca -0.03 -0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 53.16 3jwe s LEU 243 Cb -0.15 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3jwe s LEU 243 CO 0.01 -0.03 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.20 3jwe s LEU 244 N 1.32 2.92 0.00 -0.68 1.43 0.07 -0.97 118.68 122.77 3jwe s LEU 244 Ca 0.04 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3jwe s LEU 244 Cb -0.14 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 3jwe s LEU 244 CO -0.10 0.01 -0.02 -1.58 0.23 0.00 0.00 176.35 174.89 3jwe s GLN 245 N 1.31 0.16 -0.12 1.70 2.00 -0.55 -0.69 119.66 123.48 3jwe s GLN 245 Ca 0.04 -0.13 -0.15 0.00 -2.00 0.00 0.00 55.36 53.12 3jwe s GLN 245 Cb -0.14 -0.12 -0.05 0.00 0.80 0.00 0.00 33.01 33.50 3jwe s GLN 245 CO -0.02 0.03 0.35 0.20 -0.50 0.00 0.00 175.29 175.35 3jwe s GLY 246 N -0.20 2.29 0.38 2.59 0.00 -1.26 -1.18 107.32 109.94 3jwe s GLY 246 Ca -0.01 -0.36 0.06 0.00 0.00 0.00 0.00 44.72 44.41 3jwe s GLY 246 CO -0.00 0.43 1.99 1.48 0.00 0.00 0.00 173.10 177.00 3jwe h SER 247 N 6.29 0.46 -0.86 1.64 4.64 -1.33 -3.06 113.55 121.34 3jwe h SER 247 Ca -0.43 -0.04 -0.49 0.00 -0.47 0.00 0.00 61.79 60.35 3jwe h SER 247 Cb 1.18 -0.12 -0.27 0.00 -0.31 0.00 0.00 62.40 62.88 3jwe h SER 247 CO 0.73 0.42 0.48 0.00 -0.87 0.00 0.00 176.83 177.59 3jwe n ALA 248 N -2.48 5.50 -2.45 5.18 0.00 -0.61 -4.75 120.51 120.89 3jwe n ALA 248 Ca 0.02 -3.14 -0.43 0.00 0.00 0.00 0.00 53.44 49.90 3jwe n ALA 248 Cb 0.13 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 3jwe n ALA 248 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jwe s ASP 249 N -1.80 6.87 0.00 0.00 -1.08 -1.16 -4.49 116.67 115.01 3jwe s ASP 249 Ca 0.56 1.49 0.25 0.00 -0.52 0.00 0.00 52.55 54.33 3jwe s ASP 249 Cb 0.47 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.92 3jwe s ASP 249 CO 0.05 -0.86 1.43 0.54 0.52 0.00 0.00 175.17 176.86 3jwe n ARG 250 N 6.81 1.47 -0.12 4.34 1.74 -1.26 -4.19 116.66 125.45 3jwe n ARG 250 Ca 0.14 -1.05 -0.24 0.00 -0.77 0.00 0.00 57.85 55.93 3jwe n ARG 250 Cb 0.46 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.34 3jwe n ARG 250 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3jwe n LEU 251 N 0.15 1.75 -4.05 0.55 4.77 -1.26 -4.84 117.00 114.07 3jwe n LEU 251 Ca 0.14 0.30 -0.33 0.00 -0.03 0.00 0.00 56.01 56.09 3jwe n LEU 251 Cb 0.43 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 3jwe n LEU 251 CO 0.22 0.38 -0.20 0.00 -1.33 0.00 0.00 177.39 176.46 3jwe n ASP 253 N 4.04 2.87 0.20 0.00 4.64 -1.26 -4.70 116.55 122.34 3jwe n ASP 253 Ca 0.03 1.16 0.17 0.00 -1.38 0.00 0.00 54.79 54.77 3jwe n ASP 253 Cb 0.39 -1.46 0.82 0.00 -1.04 0.00 0.00 41.12 39.84 3jwe n ASP 253 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 3jwe h SER 254 N 3.81 0.00 -0.72 1.67 4.64 -1.81 -2.19 113.55 118.96 3jwe h SER 254 Ca -0.45 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.02 3jwe h SER 254 Cb 1.27 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.24 3jwe h SER 254 CO 0.72 0.00 0.07 0.11 -0.87 0.00 0.00 176.83 176.86 3jwe h LYS 255 N 0.00 0.16 -0.78 4.77 1.57 -1.97 -0.16 116.57 120.16 3jwe h LYS 255 Ca 0.09 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3jwe h LYS 255 Cb 0.51 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3jwe h LYS 255 CO -0.00 0.10 0.51 0.78 -0.57 0.00 0.00 179.45 180.27 3jwe h GLY 256 N 0.16 1.05 1.39 3.86 0.00 -1.77 -1.54 103.07 106.22 3jwe h GLY 256 Ca 0.40 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 3jwe h GLY 256 CO -0.58 0.21 -0.25 0.00 0.00 0.00 0.00 176.54 175.92 3jwe h ALA 257 N 1.59 0.91 -0.22 3.60 0.00 -1.18 -1.00 119.26 122.97 3jwe h ALA 257 Ca 0.35 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3jwe h ALA 257 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3jwe h ALA 257 CO -0.13 0.62 -0.47 1.88 0.00 0.00 0.00 179.25 181.15 3jwe h TYR 258 N 0.61 0.68 -0.33 0.00 0.05 -1.07 -1.97 116.97 114.94 3jwe h TYR 258 Ca 0.08 -0.22 -0.12 0.00 0.05 0.00 0.00 58.73 58.53 3jwe h TYR 258 Cb 0.74 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 3jwe h TYR 258 CO 0.03 0.92 -0.26 -0.07 -1.05 0.00 0.00 178.16 177.73 3jwe h LEU 259 N 0.45 0.80 -0.74 3.88 -0.00 -1.16 -2.65 115.31 115.89 3jwe h LEU 259 Ca 0.03 -0.45 0.04 0.00 -0.00 0.00 0.00 57.88 57.50 3jwe h LEU 259 Cb 0.99 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 41.37 3jwe h LEU 259 CO 0.09 1.08 0.46 0.25 -0.00 0.00 0.00 178.44 180.32 3jwe h LEU 260 N 0.53 0.75 -1.04 1.67 5.85 -1.12 0.29 115.31 122.25 3jwe h LEU 260 Ca 0.06 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3jwe h LEU 260 Cb 0.83 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3jwe h LEU 260 CO 0.07 0.51 -0.29 0.24 -0.34 0.00 0.00 178.44 178.63 3jwe h MET 261 N 0.89 0.32 0.09 1.25 2.86 -1.32 -2.63 114.93 116.39 3jwe h MET 261 Ca 0.30 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 3jwe h MET 261 Cb 0.05 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.70 3jwe h MET 261 CO -0.12 0.59 -0.54 1.49 1.06 0.00 0.00 176.91 179.39 3jwe h GLU 262 N 0.28 0.18 0.00 1.72 4.81 -1.00 -3.39 114.58 117.18 3jwe h GLU 262 Ca 0.04 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3jwe h GLU 262 Cb 0.67 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 3jwe h GLU 262 CO 0.05 1.15 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.99 3jwe h LEU 263 N -0.61 0.00 -9.97 1.64 3.38 -0.51 -3.47 115.31 105.77 3jwe h LEU 263 Ca -0.10 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.38 3jwe h LEU 263 Cb 1.40 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.19 3jwe h LEU 263 CO 0.09 0.11 0.44 0.00 0.09 0.00 0.00 178.44 179.16 3jwe s ALA 264 N -3.20 3.06 -1.42 1.53 0.00 -0.99 -4.14 121.76 116.60 3jwe s ALA 264 Ca 0.04 0.80 0.27 0.00 0.00 0.00 0.00 51.96 53.06 3jwe s ALA 264 Cb 0.07 -3.32 0.78 0.00 0.00 0.00 0.00 23.12 20.66 3jwe s ALA 264 CO 0.72 -0.38 1.59 1.63 0.00 0.00 0.00 175.76 179.33 3jwe n LYS 265 N -0.18 0.46 -1.54 0.00 4.76 -0.53 -4.97 118.16 116.15 3jwe n LYS 265 Ca 0.06 -0.24 -0.50 0.00 -2.87 0.00 0.00 58.31 54.76 3jwe n LYS 265 Cb 0.49 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 3jwe n LYS 265 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3jwe n SER 266 N -1.06 0.69 0.18 4.39 7.64 -0.54 -4.86 113.62 120.06 3jwe n SER 266 Ca 0.10 1.15 0.11 0.00 1.01 0.00 0.00 58.87 61.24 3jwe n SER 266 Cb 0.33 -1.13 0.10 0.00 -1.01 0.00 0.00 64.21 62.50 3jwe n SER 266 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3jwe h GLN 267 N 2.77 0.00 -3.23 1.43 1.08 -1.89 -3.40 115.11 111.87 3jwe h GLN 267 Ca -0.41 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.16 3jwe h GLN 267 Cb 1.37 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.39 3jwe h GLN 267 CO 0.66 0.01 -0.63 0.34 -0.95 0.00 0.00 178.83 178.27 3jwe s ASP 268 N -5.92 4.36 -0.07 1.46 2.15 -1.26 -5.08 116.67 112.31 3jwe s ASP 268 Ca 0.04 -3.27 0.01 0.00 0.43 0.00 0.00 52.55 49.77 3jwe s ASP 268 Cb 0.07 -1.56 0.02 0.00 -0.30 0.00 0.00 42.92 41.14 3jwe s ASP 268 CO 0.72 -0.18 -0.09 -1.59 -0.17 0.00 0.00 175.17 173.86 3jwe s LYS 269 N -0.62 1.40 -0.04 4.34 -2.85 -1.26 -0.75 119.74 119.95 3jwe s LYS 269 Ca 0.20 -0.27 0.05 0.00 -1.00 0.00 0.00 55.97 54.94 3jwe s LYS 269 Cb -0.18 -1.30 -0.01 0.00 -2.06 0.00 0.00 37.83 34.29 3jwe s LYS 269 CO -0.06 -0.09 -0.19 0.99 0.10 0.00 0.00 175.35 176.10 3jwe s THR 270 N 1.05 1.54 -0.07 3.79 2.01 -0.59 -5.01 115.64 118.35 3jwe s THR 270 Ca -0.08 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.19 3jwe s THR 270 Cb -0.14 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 3jwe s THR 270 CO -0.01 0.44 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.90 3jwe s LEU 271 N -0.09 2.13 -0.12 4.42 2.96 -1.26 -0.57 118.68 126.16 3jwe s LEU 271 Ca -0.02 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 3jwe s LEU 271 Cb -0.11 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.20 3jwe s LEU 271 CO 0.02 0.23 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.43 3jwe s LYS 272 N -0.08 1.75 -0.20 1.98 2.20 -0.14 -4.98 119.74 120.27 3jwe s LYS 272 Ca -0.06 -0.35 -0.08 0.00 -0.36 0.00 0.00 55.97 55.12 3jwe s LYS 272 Cb -0.14 -1.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.43 3jwe s LYS 272 CO 0.05 -0.22 0.09 0.42 -0.36 0.00 0.00 175.35 175.32 3jwe s ILE 273 N 1.53 5.00 -0.49 5.43 -1.09 -1.26 -1.48 121.20 128.84 3jwe s ILE 273 Ca 0.03 0.04 -0.13 0.00 -2.23 0.00 0.00 60.65 58.36 3jwe s ILE 273 Cb -0.13 -3.27 0.11 0.00 -1.58 0.00 0.00 42.46 37.59 3jwe s ILE 273 CO -0.07 0.43 0.40 -0.31 -1.23 0.00 0.00 174.94 174.16 3jwe s TYR 274 N 0.52 3.32 0.03 3.97 2.02 -0.33 -4.98 117.35 121.90 3jwe s TYR 274 Ca 0.05 -1.49 -0.30 0.00 -0.37 0.00 0.00 57.07 54.96 3jwe s TYR 274 Cb -0.12 -3.52 -0.08 0.00 -0.40 0.00 0.00 41.96 37.84 3jwe s TYR 274 CO 0.00 -0.96 1.83 -2.00 -1.57 0.00 0.00 175.55 172.85 3jwe s GLU 275 N 1.50 4.16 0.00 -0.62 2.56 -1.26 -1.72 118.70 123.31 3jwe s GLU 275 Ca 0.04 2.47 0.00 0.00 0.00 0.00 0.00 54.97 57.48 3jwe s GLU 275 Cb -0.27 -3.98 0.00 0.00 2.00 0.00 0.00 34.13 31.88 3jwe s GLU 275 CO 0.02 -0.89 0.00 0.41 -0.56 0.00 0.00 175.26 174.24 3jwe n GLY 276 N 4.33 2.65 3.78 -1.50 0.00 -1.26 -4.92 105.19 108.27 3jwe n GLY 276 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3jwe n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwe s ALA 277 N -2.12 2.78 0.50 4.61 0.00 -1.08 -4.48 121.76 121.98 3jwe s ALA 277 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3jwe s ALA 277 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3jwe s ALA 277 CO 0.00 -0.67 0.00 0.66 0.00 0.00 0.00 175.76 175.75 3jwe n TYR 278 N -1.07 0.00 0.15 0.00 4.02 -1.26 -1.58 117.16 117.42 3jwe n TYR 278 Ca 0.10 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.92 3jwe n TYR 278 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.79 3jwe n TYR 278 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3jwe h HIS 279 N 0.00 -0.42 -0.88 -0.72 2.76 -1.49 -3.39 115.15 111.01 3jwe h HIS 279 Ca 0.00 -0.01 -0.67 0.00 -2.20 0.00 0.00 60.37 57.49 3jwe h HIS 279 Cb 0.00 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.02 3jwe h HIS 279 CO 0.00 -0.26 2.11 0.08 -1.30 0.00 0.00 177.93 178.56 3jwe s VAL 280 N -3.04 4.09 0.53 5.26 1.01 -0.25 -4.76 120.40 123.24 3jwe s VAL 280 Ca -0.07 -1.78 0.27 0.00 0.00 0.00 0.00 61.98 60.41 3jwe s VAL 280 Cb 0.01 -5.17 0.32 0.00 0.00 0.00 0.00 36.38 31.53 3jwe s VAL 280 CO 0.20 -2.00 2.18 -0.07 0.00 0.00 0.00 175.10 175.41 3jwe h LEU 281 N 12.67 0.00 -1.04 3.92 3.38 -1.87 -0.85 115.31 131.53 3jwe h LEU 281 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3jwe h LEU 281 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3jwe h LEU 281 CO 1.45 0.04 0.00 0.00 0.09 0.00 0.00 178.44 180.03 3jwe n HIS 282 N -3.90 0.03 -2.03 1.13 1.44 -1.26 -3.75 115.22 106.87 3jwe n HIS 282 Ca -0.03 -0.01 0.04 0.00 -2.01 0.00 0.00 57.72 55.71 3jwe n HIS 282 Cb 0.13 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.32 3jwe n HIS 282 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3jwe n LYS 283 N 0.26 0.52 -0.04 -1.40 4.01 -0.39 -4.94 118.16 116.18 3jwe n LYS 283 Ca 0.18 -2.18 0.00 0.00 -0.51 0.00 0.00 58.31 55.80 3jwe n LYS 283 Cb 0.37 -0.65 0.00 0.00 -0.51 0.00 0.00 35.03 34.24 3jwe n LYS 283 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3jwe n GLU 284 N -0.20 2.13 -1.98 1.97 -0.58 -0.79 -4.69 120.64 116.50 3jwe n GLU 284 Ca 0.09 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.44 3jwe n GLU 284 Cb 0.90 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.77 3jwe n GLU 284 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3jwe s LEU 285 N 0.00 4.14 0.43 -4.62 1.43 -1.26 -4.67 118.68 114.12 3jwe s LEU 285 Ca 0.00 2.70 0.27 0.00 -1.03 0.00 0.00 54.13 56.07 3jwe s LEU 285 Cb 0.00 -3.97 1.35 0.00 0.03 0.00 0.00 46.19 43.60 3jwe s LEU 285 CO 0.00 -1.00 1.66 -0.65 0.23 0.00 0.00 176.35 176.58 3jwe h PRO 286 N 2.42 0.15 0.02 1.29 0.11 -1.98 -0.07 132.00 133.93 3jwe h PRO 286 Ca -0.50 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3jwe h PRO 286 Cb 1.26 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3jwe h PRO 286 CO 0.61 0.10 -0.08 0.93 -0.21 0.00 0.00 178.00 179.35 3jwe h GLU 287 N 0.15 -0.15 0.02 1.05 3.07 -2.00 -0.80 114.58 115.93 3jwe h GLU 287 Ca 0.77 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.64 3jwe h GLU 287 Cb 2.33 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 30.27 3jwe h GLU 287 CO -0.40 -0.10 -0.01 0.28 -1.40 0.00 0.00 179.01 177.38 3jwe h VAL 288 N -0.15 1.23 -0.35 3.13 2.07 -1.40 -3.10 116.25 117.68 3jwe h VAL 288 Ca 0.03 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.76 3jwe h VAL 288 Cb 0.18 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3jwe h VAL 288 CO -0.07 0.21 0.19 0.74 0.02 0.00 0.00 177.57 178.65 3jwe h THR 289 N -0.38 1.02 -0.62 2.57 2.02 -1.29 -0.41 112.91 115.82 3jwe h THR 289 Ca -0.00 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 3jwe h THR 289 Cb 0.36 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3jwe h THR 289 CO 0.01 0.07 0.16 0.78 0.37 0.00 0.00 175.52 176.91 3jwe h ASN 290 N 0.39 0.90 -0.09 4.18 2.35 -1.25 -1.51 115.58 120.56 3jwe h ASN 290 Ca 0.14 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3jwe h ASN 290 Cb 0.02 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 3jwe h ASN 290 CO -0.08 0.87 0.01 -1.28 -1.65 0.00 0.00 177.43 175.30 3jwe h SER 291 N 0.93 0.15 -0.38 5.81 0.87 -1.43 -2.15 113.55 117.34 3jwe h SER 291 Ca 0.20 -0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3jwe h SER 291 Cb 0.31 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.16 3jwe h SER 291 CO -0.00 0.38 -0.09 0.58 -0.53 0.00 0.00 176.83 177.17 3jwe h VAL 292 N -0.09 0.62 -0.44 2.23 2.07 -0.83 0.18 116.25 119.98 3jwe h VAL 292 Ca 0.03 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3jwe h VAL 292 Cb 0.30 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3jwe h VAL 292 CO 0.00 0.00 0.26 -0.26 0.02 0.00 0.00 177.57 177.60 3jwe h PHE 293 N 0.01 0.57 -0.53 1.57 -1.00 -1.24 -1.28 116.94 115.04 3jwe h PHE 293 Ca 0.18 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.87 3jwe h PHE 293 Cb 0.28 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 3jwe h PHE 293 CO -0.34 0.40 -0.01 1.25 -1.61 0.00 0.00 178.31 178.00 3jwe h HIS 294 N 0.58 1.03 -0.39 -0.55 2.76 -0.89 -0.60 115.15 117.09 3jwe h HIS 294 Ca 0.16 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 3jwe h HIS 294 Cb -0.00 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 3jwe h HIS 294 CO -0.03 0.95 0.19 0.93 -1.30 0.00 0.00 177.93 178.67 3jwe h GLU 295 N 0.82 0.57 -0.62 5.26 4.39 -0.44 0.86 114.58 125.41 3jwe h GLU 295 Ca 0.15 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 3jwe h GLU 295 Cb 0.55 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3jwe h GLU 295 CO 0.03 0.50 0.02 0.82 -1.16 0.00 0.00 179.01 179.22 3jwe h ILE 296 N 0.50 1.27 0.26 3.13 2.04 -1.18 -1.89 117.51 121.64 3jwe h ILE 296 Ca 0.14 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3jwe h ILE 296 Cb 0.12 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3jwe h ILE 296 CO -0.02 0.42 -0.25 -1.13 0.00 0.00 0.00 178.15 177.17 3jwe h ASN 297 N 0.99 -0.68 -0.34 1.72 -0.73 -0.75 -2.06 115.58 113.75 3jwe h ASN 297 Ca 0.18 0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.41 3jwe h ASN 297 Cb 0.54 0.23 -0.02 0.00 0.27 0.00 0.00 38.32 39.34 3jwe h ASN 297 CO 0.03 -0.37 0.20 0.24 -0.37 0.00 0.00 177.43 177.15 3jwe h MET 298 N -0.55 0.46 -0.28 6.67 2.86 -0.71 -1.72 114.93 121.66 3jwe h MET 298 Ca -0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3jwe h MET 298 Cb 0.50 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3jwe h MET 298 CO -0.05 0.37 0.11 2.35 1.06 0.00 0.00 176.91 180.75 3jwe h TRP 299 N 0.43 0.43 -0.22 -0.22 7.01 -1.32 -1.46 115.95 120.60 3jwe h TRP 299 Ca 0.12 -0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.01 3jwe h TRP 299 Cb 0.03 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 26.96 3jwe h TRP 299 CO -0.04 0.43 -0.18 0.28 -2.79 0.00 0.00 178.44 176.15 3jwe h VAL 300 N 0.31 1.32 -0.97 2.65 2.07 -1.40 -3.05 116.25 117.18 3jwe h VAL 300 Ca 0.09 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.35 3jwe h VAL 300 Cb 0.18 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3jwe h VAL 300 CO -0.01 0.40 0.63 0.28 0.02 0.00 0.00 177.57 178.89 3jwe h SER 301 N 0.19 1.03 0.08 0.57 0.02 -1.28 -2.13 113.55 112.04 3jwe h SER 301 Ca 0.04 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3jwe h SER 301 Cb 0.71 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3jwe h SER 301 CO 0.05 0.68 -0.31 1.56 -1.14 0.00 0.00 176.83 177.67 3jwe h GLN 302 N 1.19 0.35 -0.32 3.45 4.20 -1.29 -3.09 115.11 119.59 3jwe h GLN 302 Ca 0.40 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3jwe h GLN 302 Cb 0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3jwe h GLN 302 CO -0.15 0.63 0.00 0.54 -0.67 0.00 0.00 178.83 179.19 3jwe n ARG 303 N -4.09 1.86 -4.65 1.46 1.74 -0.84 -4.89 116.66 107.26 3jwe n ARG 303 Ca -0.01 -1.33 -0.31 0.00 -0.77 0.00 0.00 57.85 55.43 3jwe n ARG 303 Cb 0.43 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 3jwe n ARG 303 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3jwe s THR 304 N -1.58 1.54 0.00 0.55 -4.23 -0.99 -5.06 115.64 105.87 3jwe s THR 304 Ca 0.28 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 3jwe s THR 304 Cb 0.15 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3jwe s THR 304 CO 0.21 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.29