#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxw n LEU 34 N 0.00 0.00 -2.77 2.45 7.94 -1.26 -4.40 117.00 118.96 3jxw n LEU 34 Ca 0.00 0.09 -0.38 0.00 -1.11 0.00 0.00 56.01 54.61 3jxw n LEU 34 Cb 0.00 -0.24 0.04 0.00 0.53 0.00 0.00 43.42 43.75 3jxw n LEU 34 CO 0.00 -0.39 1.37 -0.62 -1.11 0.00 0.00 177.39 176.64 3jxw n GLU 35 N -0.75 2.83 -0.12 1.96 4.71 -1.26 -4.44 120.64 123.57 3jxw n GLU 35 Ca 0.00 -3.60 -0.21 0.00 -0.01 0.00 0.00 57.16 53.34 3jxw n GLU 35 Cb 0.04 -2.27 -0.10 0.00 -1.01 0.00 0.00 31.44 28.09 3jxw n GLU 35 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3jxw n SER 36 N -0.60 2.00 0.28 1.62 7.64 -1.26 -4.58 113.62 118.73 3jxw n SER 36 Ca 0.54 0.05 0.17 0.00 1.01 0.00 0.00 58.87 60.64 3jxw n SER 36 Cb 0.35 -0.53 0.70 0.00 -1.01 0.00 0.00 64.21 63.73 3jxw n SER 36 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3jxw h GLN 37 N -0.38 0.00 -6.68 1.43 4.20 -1.83 -3.45 115.11 108.41 3jxw h GLN 37 Ca -0.58 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 57.45 3jxw h GLN 37 Cb 1.72 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 29.29 3jxw h GLN 37 CO -0.21 0.00 -0.81 0.71 -0.67 0.00 0.00 178.83 177.85 3jxw s TYR 38 N -3.67 2.52 -0.29 2.96 2.02 -1.26 0.98 117.35 120.60 3jxw s TYR 38 Ca 0.01 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3jxw s TYR 38 Cb 0.09 -1.38 0.04 0.00 -0.40 0.00 0.00 41.96 40.31 3jxw s TYR 38 CO 0.53 0.33 -0.00 -1.14 -1.57 0.00 0.00 175.55 173.70 3jxw s GLN 39 N -1.85 2.54 -0.19 -0.62 0.74 0.24 -4.90 119.66 115.61 3jxw s GLN 39 Ca 0.16 -1.19 -0.29 0.00 0.05 0.00 0.00 55.36 54.09 3jxw s GLN 39 Cb -0.10 -3.18 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 3jxw s GLN 39 CO 0.08 -0.58 1.67 0.08 -0.55 0.00 0.00 175.29 175.99 3jxw s VAL 40 N 1.29 3.61 0.00 1.34 1.01 -1.26 -2.19 120.40 124.20 3jxw s VAL 40 Ca -0.04 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3jxw s VAL 40 Cb -0.19 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3jxw s VAL 40 CO -0.01 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.46 3jxw n GLY 41 N 4.68 1.43 3.76 4.51 0.00 0.21 -4.98 105.19 114.80 3jxw n GLY 41 Ca 0.19 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 3jxw n GLY 41 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3jxw s PRO 42 N 2.53 3.28 0.33 1.61 0.02 -1.26 -4.40 135.00 137.11 3jxw s PRO 42 Ca 0.00 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 3jxw s PRO 42 Cb 0.00 -2.10 -0.11 0.00 0.02 0.00 0.00 34.50 32.30 3jxw s PRO 42 CO 0.00 -0.95 1.55 -1.17 -0.33 0.00 0.00 177.00 176.10 3jxw s LEU 43 N -3.68 4.33 -0.20 -5.54 2.96 -1.26 -0.66 118.68 114.63 3jxw s LEU 43 Ca 0.72 3.01 0.13 0.00 -0.22 0.00 0.00 54.13 57.78 3jxw s LEU 43 Cb -0.29 -3.65 -0.23 0.00 0.50 0.00 0.00 46.19 42.51 3jxw s LEU 43 CO 0.34 -0.91 0.07 0.18 -1.32 0.00 0.00 176.35 174.71 3jxw n LEU 44 N 1.39 0.77 -3.67 -0.68 4.77 0.44 -4.84 117.00 115.19 3jxw n LEU 44 Ca 0.05 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 3jxw n LEU 44 Cb 0.38 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3jxw n LEU 44 CO 0.64 0.59 1.02 -0.83 -1.33 0.00 0.00 177.39 177.48 3jxw s GLY 45 N -5.67 -0.36 0.00 -0.72 0.00 -1.17 -4.98 107.32 94.42 3jxw s GLY 45 Ca -0.15 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3jxw s GLY 45 CO 0.78 0.60 0.00 -1.14 0.00 0.00 0.00 173.10 173.34 3jxw n SER 46 N -0.55 0.04 0.00 1.64 3.41 -1.26 -0.38 113.62 116.52 3jxw n SER 46 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3jxw n SER 46 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3jxw n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jxw n GLY 47 N 0.00 0.92 0.20 5.00 0.00 0.95 -4.76 105.19 107.50 3jxw n GLY 47 Ca 0.00 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.18 3jxw n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jxw h GLY 48 N 0.00 0.00 1.64 -0.02 0.00 -2.03 -2.94 103.07 99.72 3jxw h GLY 48 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3jxw h GLY 48 CO 0.00 0.00 -0.38 0.27 0.00 0.00 0.00 176.54 176.43 3jxw h PHE 49 N 0.00 0.48 0.00 5.60 -5.15 -1.95 -3.48 116.94 112.44 3jxw h PHE 49 Ca -0.00 -0.13 0.00 0.00 -0.20 0.00 0.00 57.97 57.64 3jxw h PHE 49 Cb 0.97 -0.11 0.00 0.00 0.22 0.00 0.00 35.95 37.03 3jxw h PHE 49 CO 0.00 0.73 0.00 0.41 -2.00 0.00 0.00 178.31 177.45 3jxw n GLY 50 N -0.15 0.26 3.06 6.09 0.00 -1.11 -4.48 105.19 108.87 3jxw n GLY 50 Ca -0.01 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 3jxw n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jxw s SER 51 N -4.00 -0.23 -0.12 1.61 0.01 -1.23 -0.04 113.70 109.70 3jxw s SER 51 Ca 0.00 0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.76 3jxw s SER 51 Cb 0.00 0.40 0.01 0.00 0.21 0.00 0.00 66.02 66.64 3jxw s SER 51 CO 0.00 -0.13 -0.21 -0.69 0.41 0.00 0.00 173.24 172.62 3jxw s VAL 52 N 0.83 1.90 0.12 3.43 1.01 0.49 -2.18 120.40 126.00 3jxw s VAL 52 Ca -0.06 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.09 3jxw s VAL 52 Cb -0.07 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3jxw s VAL 52 CO -0.05 0.52 -0.08 -0.31 0.00 0.00 0.00 175.10 175.18 3jxw s TYR 53 N 0.70 2.77 0.39 5.22 1.51 -0.10 0.17 117.35 128.00 3jxw s TYR 53 Ca -0.11 -0.15 -0.24 0.00 -1.01 0.00 0.00 57.07 55.57 3jxw s TYR 53 Cb -0.16 -1.42 -0.10 0.00 -0.11 0.00 0.00 41.96 40.17 3jxw s TYR 53 CO 0.02 0.45 1.00 0.45 -1.11 0.00 0.00 175.55 176.35 3jxw s SER 54 N -2.36 6.95 0.04 2.29 0.15 0.17 -0.39 113.70 120.55 3jxw s SER 54 Ca 0.23 1.90 -0.24 0.00 0.70 0.00 0.00 55.95 58.54 3jxw s SER 54 Cb -0.11 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.69 3jxw s SER 54 CO 0.15 -0.35 0.56 -0.83 1.20 0.00 0.00 173.24 173.97 3jxw s GLY 55 N -1.72 -0.48 -0.12 9.45 0.00 -0.67 0.65 107.32 114.43 3jxw s GLY 55 Ca 0.57 0.75 -0.00 0.00 0.00 0.00 0.00 44.72 46.03 3jxw s GLY 55 CO 0.23 0.43 -0.09 -0.42 0.00 0.00 0.00 173.10 173.25 3jxw s ILE 56 N -2.28 1.17 -0.07 0.90 1.01 -0.93 -0.21 121.20 120.79 3jxw s ILE 56 Ca -0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3jxw s ILE 56 Cb -0.01 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 3jxw s ILE 56 CO -0.00 0.39 1.62 -0.60 0.00 0.00 0.00 174.94 176.35 3jxw s ARG 57 N 1.64 4.18 -0.02 2.79 3.52 -0.23 -0.59 118.95 130.23 3jxw s ARG 57 Ca 0.05 2.13 -0.25 0.00 -0.13 0.00 0.00 55.73 57.53 3jxw s ARG 57 Cb -0.13 -3.97 -0.19 0.00 -1.56 0.00 0.00 34.95 29.10 3jxw s ARG 57 CO -0.09 -0.84 1.25 0.28 -0.81 0.00 0.00 175.30 175.09 3jxw h VAL 58 N 5.58 1.41 -0.51 7.11 2.07 0.30 0.80 116.25 133.01 3jxw h VAL 58 Ca -0.38 -1.28 0.15 0.00 0.82 0.00 0.00 66.70 66.01 3jxw h VAL 58 Cb 1.17 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 3jxw h VAL 58 CO 0.96 0.34 0.48 -0.24 0.02 0.00 0.00 177.57 179.13 3jxw n SER 59 N -4.76 0.00 -0.16 0.57 2.88 -1.25 -3.17 113.62 107.73 3jxw n SER 59 Ca -0.08 0.31 -0.00 0.00 -1.33 0.00 0.00 58.87 57.77 3jxw n SER 59 Cb 0.30 -0.13 -0.00 0.00 -0.75 0.00 0.00 64.21 63.63 3jxw n SER 59 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3jxw n ASP 60 N -2.25 -0.01 0.00 -3.46 5.75 -1.14 -5.03 116.55 110.42 3jxw n ASP 60 Ca 0.11 -0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 3jxw n ASP 60 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 3jxw n ASP 60 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3jxw n ASN 61 N 0.00 -1.11 -4.73 -1.12 3.02 0.28 -4.99 115.26 106.61 3jxw n ASN 61 Ca -0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 3jxw n ASN 61 Cb 0.16 -2.12 -0.02 0.00 -0.61 0.00 0.00 39.78 37.20 3jxw n ASN 61 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3jxw n LEU 62 N 0.00 4.18 -4.77 3.41 7.94 -1.22 -4.62 117.00 121.92 3jxw n LEU 62 Ca 0.00 1.14 -0.41 0.00 -1.11 0.00 0.00 56.01 55.63 3jxw n LEU 62 Cb 0.08 -1.57 -0.01 0.00 0.53 0.00 0.00 43.42 42.45 3jxw n LEU 62 CO 0.00 0.07 1.13 -2.84 -1.11 0.00 0.00 177.39 174.64 3jxw s PRO 63 N -0.40 4.16 0.30 1.96 0.02 -1.26 -1.07 135.00 138.71 3jxw s PRO 63 Ca 0.65 2.50 0.04 0.00 0.02 0.00 0.00 61.00 64.21 3jxw s PRO 63 Cb -0.52 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 30.97 3jxw s PRO 63 CO 0.48 -0.50 0.27 0.14 -0.33 0.00 0.00 177.00 177.06 3jxw s VAL 64 N -0.81 0.00 -0.02 3.83 -7.23 0.70 -3.64 120.40 113.23 3jxw s VAL 64 Ca 0.55 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 3jxw s VAL 64 Cb -0.45 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 3jxw s VAL 64 CO 0.57 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 175.21 3jxw s ALA 65 N -3.57 1.32 -0.29 1.32 0.00 0.05 -1.67 121.76 118.92 3jxw s ALA 65 Ca 0.39 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 3jxw s ALA 65 Cb 0.03 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.81 3jxw s ALA 65 CO 0.23 0.28 -0.02 0.42 0.00 0.00 0.00 175.76 176.67 3jxw s ILE 66 N -0.15 2.84 -0.20 0.00 1.01 0.48 -1.34 121.20 123.82 3jxw s ILE 66 Ca 0.01 -1.42 -0.03 0.00 0.00 0.00 0.00 60.65 59.21 3jxw s ILE 66 Cb -0.08 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 3jxw s ILE 66 CO 0.00 -0.08 -0.05 -0.75 0.00 0.00 0.00 174.94 174.06 3jxw s LYS 67 N 1.23 3.40 -0.23 2.79 2.20 -0.18 -0.93 119.74 128.02 3jxw s LYS 67 Ca -0.06 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 54.86 3jxw s LYS 67 Cb -0.20 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3jxw s LYS 67 CO -0.02 -0.11 0.04 -1.01 -0.36 0.00 0.00 175.35 173.89 3jxw s HIS 68 N 1.24 3.06 -0.11 4.03 3.76 -0.93 0.17 115.29 126.52 3jxw s HIS 68 Ca 0.03 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 3jxw s HIS 68 Cb -0.14 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.36 3jxw s HIS 68 CO -0.02 -0.35 -0.23 0.08 -0.85 0.00 0.00 174.74 173.37 3jxw s VAL 69 N 1.45 2.00 -0.12 -0.90 1.01 0.11 -3.54 120.40 120.40 3jxw s VAL 69 Ca 0.05 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 3jxw s VAL 69 Cb -0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 3jxw s VAL 69 CO 0.02 0.54 0.94 -1.61 0.00 0.00 0.00 175.10 175.00 3jxw s GLU 70 N 0.52 4.39 0.28 2.72 2.02 -1.26 -0.38 118.70 126.99 3jxw s GLU 70 Ca -0.15 1.26 -0.06 0.00 0.02 0.00 0.00 54.97 56.04 3jxw s GLU 70 Cb -0.17 -3.55 0.51 0.00 0.10 0.00 0.00 34.13 31.02 3jxw s GLU 70 CO 0.05 -0.30 1.56 0.87 0.02 0.00 0.00 175.26 177.46 3jxw h LYS 71 N 7.14 0.00 -0.24 1.61 1.57 -1.57 -0.25 116.57 124.82 3jxw h LYS 71 Ca -0.31 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.54 3jxw h LYS 71 Cb 1.15 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3jxw h LYS 71 CO 0.84 0.00 0.19 -0.44 -0.57 0.00 0.00 179.45 179.47 3jxw h ASP 72 N 0.00 0.00 -0.20 0.86 3.32 -1.93 -2.14 116.42 116.33 3jxw h ASP 72 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3jxw h ASP 72 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3jxw h ASP 72 CO -1.01 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.05 3jxw n ARG 73 N -4.33 2.23 -3.04 3.56 3.00 -0.12 -4.81 116.66 113.15 3jxw n ARG 73 Ca 0.03 -1.82 -0.42 0.00 -0.01 0.00 0.00 57.85 55.63 3jxw n ARG 73 Cb 0.34 -1.47 -0.06 0.00 0.00 0.00 0.00 32.46 31.26 3jxw n ARG 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3jxw s ILE 74 N -1.76 4.86 -0.12 0.55 1.01 -0.81 -4.91 121.20 120.02 3jxw s ILE 74 Ca 0.34 0.93 0.17 0.00 0.00 0.00 0.00 60.65 62.09 3jxw s ILE 74 Cb 0.21 -4.09 -0.21 0.00 0.01 0.00 0.00 42.46 38.38 3jxw s ILE 74 CO 0.30 -0.24 0.53 -1.54 0.00 0.00 0.00 174.94 174.00 3jxw n SER 75 N 6.08 0.51 -4.19 3.58 3.41 -1.26 -4.86 113.62 116.89 3jxw n SER 75 Ca 0.01 0.23 -0.40 0.00 -0.26 0.00 0.00 58.87 58.46 3jxw n SER 75 Cb 0.48 0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 64.91 3jxw n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jxw s ASP 76 N -5.61 5.59 0.49 4.04 3.68 -1.26 -5.09 116.67 118.51 3jxw s ASP 76 Ca -0.06 -1.92 0.03 0.00 2.13 0.00 0.00 52.55 52.74 3jxw s ASP 76 Cb 0.08 -1.97 0.02 0.00 -1.45 0.00 0.00 42.92 39.61 3jxw s ASP 76 CO 0.83 -0.65 0.69 0.26 0.13 0.00 0.00 175.17 176.43 3jxw s TRP 77 N 1.31 2.91 0.23 -5.34 0.52 -1.26 -1.03 118.94 116.27 3jxw s TRP 77 Ca 0.06 -0.09 -0.04 0.00 0.02 0.00 0.00 56.10 56.05 3jxw s TRP 77 Cb -0.25 -2.56 0.01 0.00 -1.15 0.00 0.00 33.47 29.52 3jxw s TRP 77 CO -0.01 -0.65 0.37 0.41 0.02 0.00 0.00 176.95 177.08 3jxw n GLY 78 N -2.15 2.15 3.19 0.98 0.00 0.13 -4.48 105.19 105.02 3jxw n GLY 78 Ca 0.07 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 3jxw n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3jxw s GLU 79 N -2.38 0.52 0.74 1.61 -1.05 -1.26 -1.52 118.70 115.37 3jxw s GLU 79 Ca 0.16 -0.03 -0.11 0.00 -0.15 0.00 0.00 54.97 54.84 3jxw s GLU 79 Cb -0.01 0.23 0.03 0.00 -0.44 0.00 0.00 34.13 33.94 3jxw s GLU 79 CO 0.12 -0.12 1.10 -0.51 0.95 0.00 0.00 175.26 176.79 3jxw s LEU 80 N -0.83 2.80 0.08 1.83 1.43 -1.01 -4.83 118.68 118.16 3jxw s LEU 80 Ca -0.09 1.17 -0.19 0.00 -1.03 0.00 0.00 54.13 53.99 3jxw s LEU 80 Cb -0.05 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.21 3jxw s LEU 80 CO 0.02 -1.54 1.32 -0.65 0.23 0.00 0.00 176.35 175.73 3jxw h PRO 81 N -0.79 -0.20 -0.72 1.29 0.11 -1.99 0.22 132.00 129.91 3jxw h PRO 81 Ca -0.46 0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.88 3jxw h PRO 81 Cb 1.26 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 3jxw h PRO 81 CO 0.63 -0.14 0.86 -1.71 -0.21 0.00 0.00 178.00 177.43 3jxw n ASN 82 N -4.25 0.00 -2.49 -2.05 2.85 -1.26 -4.83 115.26 103.23 3jxw n ASN 82 Ca -0.02 0.53 -0.01 0.00 -0.11 0.00 0.00 54.58 54.98 3jxw n ASN 82 Cb 0.19 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.03 3jxw n ASN 82 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3jxw n GLY 83 N -1.43 -0.86 3.39 8.20 0.00 0.77 -5.11 105.19 110.14 3jxw n GLY 83 Ca 0.16 0.23 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 3jxw n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jxw s THR 84 N -3.02 0.95 -0.79 2.61 2.01 -1.26 -4.85 115.64 111.30 3jxw s THR 84 Ca 0.02 -2.01 -0.13 0.00 0.31 0.00 0.00 61.69 59.88 3jxw s THR 84 Cb -0.00 -2.68 0.21 0.00 0.01 0.00 0.00 72.50 70.04 3jxw s THR 84 CO 0.47 -0.05 0.72 -0.60 -0.69 0.00 0.00 174.62 174.48 3jxw s ARG 85 N -3.94 3.46 0.34 4.92 3.52 -1.26 -2.40 118.95 123.60 3jxw s ARG 85 Ca 0.36 -2.42 0.09 0.00 -0.13 0.00 0.00 55.73 53.63 3jxw s ARG 85 Cb 0.08 -4.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.06 3jxw s ARG 85 CO 0.14 -1.28 0.02 0.14 -0.81 0.00 0.00 175.30 173.51 3jxw s VAL 86 N 0.24 2.64 0.59 7.11 -7.23 -0.57 -4.91 120.40 118.27 3jxw s VAL 86 Ca 0.17 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 58.20 3jxw s VAL 86 Cb -0.12 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 3jxw s VAL 86 CO -0.08 -0.19 1.23 -2.84 -0.31 0.00 0.00 175.10 172.91 3jxw s PRO 87 N -3.73 2.98 0.36 4.82 0.02 -1.26 0.21 135.00 138.39 3jxw s PRO 87 Ca 0.35 1.88 0.07 0.00 0.02 0.00 0.00 61.00 63.32 3jxw s PRO 87 Cb -0.00 -1.96 0.78 0.00 0.02 0.00 0.00 34.50 33.33 3jxw s PRO 87 CO 0.20 -1.22 1.92 1.98 -0.33 0.00 0.00 177.00 179.55 3jxw h MET 88 N 0.94 0.71 -0.81 5.54 1.85 -1.31 -1.31 114.93 120.55 3jxw h MET 88 Ca -0.51 -0.04 0.14 0.00 -0.61 0.00 0.00 59.70 58.69 3jxw h MET 88 Cb 1.30 -0.16 -0.09 0.00 0.43 0.00 0.00 31.60 33.08 3jxw h MET 88 CO 0.55 0.47 0.39 1.49 -0.40 0.00 0.00 176.91 179.41 3jxw h GLU 89 N 0.73 0.54 -0.26 0.39 4.81 -1.82 -0.27 114.58 118.70 3jxw h GLU 89 Ca 0.37 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 3jxw h GLU 89 Cb 0.47 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3jxw h GLU 89 CO -0.14 0.36 -0.06 0.28 -0.73 0.00 0.00 179.01 178.71 3jxw h VAL 90 N 0.56 1.28 -0.15 0.32 2.07 -1.60 0.30 116.25 119.03 3jxw h VAL 90 Ca 0.44 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3jxw h VAL 90 Cb 0.63 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3jxw h VAL 90 CO -0.37 0.34 -0.29 0.58 0.02 0.00 0.00 177.57 177.85 3jxw h VAL 91 N 0.24 0.34 -0.44 2.57 2.07 -0.89 -1.79 116.25 118.35 3jxw h VAL 91 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3jxw h VAL 91 Cb 0.53 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3jxw h VAL 91 CO 0.03 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.75 3jxw h LEU 92 N -0.35 0.58 -1.39 2.57 3.38 -0.92 -1.22 115.31 117.96 3jxw h LEU 92 Ca 0.10 -0.13 0.22 0.00 0.09 0.00 0.00 57.88 58.16 3jxw h LEU 92 Cb 0.51 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3jxw h LEU 92 CO -0.35 0.55 0.63 -0.07 0.09 0.00 0.00 178.44 179.30 3jxw h LEU 93 N 0.57 0.47 0.06 1.67 3.38 -0.18 -1.71 115.31 119.58 3jxw h LEU 93 Ca 0.15 0.06 -0.27 0.00 0.09 0.00 0.00 57.88 57.91 3jxw h LEU 93 Cb 0.13 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.87 3jxw h LEU 93 CO -0.02 0.15 -1.20 0.11 0.09 0.00 0.00 178.44 177.58 3jxw h LYS 94 N 0.45 0.41 0.00 1.13 1.57 -0.35 -2.23 116.57 117.55 3jxw h LYS 94 Ca 0.53 -0.59 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3jxw h LYS 94 Cb 1.26 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 3jxw h LYS 94 CO -0.24 1.25 -0.21 0.87 -0.57 0.00 0.00 179.45 180.55 3jxw h LYS 95 N 0.16 0.00 -0.00 3.15 1.57 -0.77 -3.15 116.57 117.53 3jxw h LYS 95 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3jxw h LYS 95 Cb 1.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.20 3jxw h LYS 95 CO 0.21 0.21 -0.83 1.33 -0.57 0.00 0.00 179.45 179.80 3jxw n VAL 96 N -3.57 0.00 -2.88 0.50 0.24 -0.70 -4.81 118.33 107.11 3jxw n VAL 96 Ca -0.01 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.34 61.79 3jxw n VAL 96 Cb 0.35 1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 3jxw n VAL 96 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3jxw s SER 97 N -2.82 7.10 0.00 -1.34 0.01 -0.85 -4.94 113.70 110.86 3jxw s SER 97 Ca 0.11 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.71 3jxw s SER 97 Cb 0.17 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.92 3jxw s SER 97 CO 0.77 -0.27 0.00 -1.54 0.41 0.00 0.00 173.24 172.61 3jxw n SER 98 N 4.38 0.00 -0.27 2.44 3.41 -1.26 -5.01 113.62 117.31 3jxw n SER 98 Ca 0.03 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.73 3jxw n SER 98 Cb 0.50 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.64 3jxw n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jxw n GLY 99 N 0.00 -1.13 3.67 5.00 0.00 -1.26 -4.54 105.19 106.93 3jxw n GLY 99 Ca 0.00 0.78 -0.43 0.00 0.00 0.00 0.00 46.02 46.37 3jxw n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3jxw s PHE 100 N -5.79 3.32 -0.67 1.61 5.36 -1.26 -4.90 117.98 115.65 3jxw s PHE 100 Ca -0.10 1.43 0.04 0.00 -0.96 0.00 0.00 56.93 57.34 3jxw s PHE 100 Cb 0.22 -3.28 0.23 0.00 -0.34 0.00 0.00 43.02 39.85 3jxw s PHE 100 CO 0.60 -0.60 0.93 -1.13 -1.46 0.00 0.00 175.22 173.56 3jxw n SER 101 N 5.96 2.53 0.04 6.13 3.41 -1.26 -3.98 113.62 126.44 3jxw n SER 101 Ca 0.11 -2.30 0.12 0.00 -0.26 0.00 0.00 58.87 56.54 3jxw n SER 101 Cb 0.47 -0.56 0.17 0.00 -0.26 0.00 0.00 64.21 64.02 3jxw n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jxw n GLY 102 N 0.15 -1.35 3.29 5.00 0.00 -1.26 -4.75 105.19 106.28 3jxw n GLY 102 Ca 0.10 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3jxw n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jxw s VAL 103 N -3.13 2.00 0.16 1.61 1.01 -1.26 -2.03 120.40 118.75 3jxw s VAL 103 Ca 0.07 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 60.66 3jxw s VAL 103 Cb 0.14 -1.66 -0.11 0.00 0.00 0.00 0.00 36.38 34.76 3jxw s VAL 103 CO 0.73 0.56 1.72 -0.63 0.00 0.00 0.00 175.10 177.48 3jxw s ILE 104 N -0.52 2.42 0.20 2.22 -1.09 -0.98 -4.84 121.20 118.60 3jxw s ILE 104 Ca 0.08 0.16 -0.22 0.00 -2.23 0.00 0.00 60.65 58.44 3jxw s ILE 104 Cb -0.10 -3.11 -0.08 0.00 -1.58 0.00 0.00 42.46 37.59 3jxw s ILE 104 CO -0.00 0.01 0.74 -0.13 -1.23 0.00 0.00 174.94 174.32 3jxw s ARG 105 N 1.83 4.36 -0.35 2.79 0.52 -1.26 -4.92 118.95 121.91 3jxw s ARG 105 Ca 0.76 0.96 -0.18 0.00 -0.52 0.00 0.00 55.73 56.75 3jxw s ARG 105 Cb -0.46 -3.02 -0.00 0.00 0.52 0.00 0.00 34.95 31.98 3jxw s ARG 105 CO 0.33 0.46 0.48 -1.17 0.02 0.00 0.00 175.30 175.43 3jxw s LEU 106 N -1.66 4.39 0.01 2.53 2.96 -1.26 -2.07 118.68 123.58 3jxw s LEU 106 Ca 0.40 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 3jxw s LEU 106 Cb -0.19 -2.53 -0.27 0.00 0.50 0.00 0.00 46.19 43.70 3jxw s LEU 106 CO 0.22 -0.46 0.88 -0.07 -1.32 0.00 0.00 176.35 175.61 3jxw h LEU 107 N 9.03 0.34 -7.22 -0.68 3.38 -1.15 -3.49 115.31 115.53 3jxw h LEU 107 Ca -0.28 -0.47 0.24 0.00 0.09 0.00 0.00 57.88 57.46 3jxw h LEU 107 Cb 1.13 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 3jxw h LEU 107 CO 0.76 1.39 0.70 -0.62 0.09 0.00 0.00 178.44 180.76 3jxw s ASP 108 N -6.92 -0.16 0.10 -0.43 2.15 -1.13 -5.02 116.67 105.27 3jxw s ASP 108 Ca -0.08 -0.13 -0.09 0.00 0.43 0.00 0.00 52.55 52.68 3jxw s ASP 108 Cb 0.07 0.26 -0.00 0.00 -0.30 0.00 0.00 42.92 42.95 3jxw s ASP 108 CO 0.85 -0.46 0.21 -1.66 -0.17 0.00 0.00 175.17 173.94 3jxw s TRP 109 N -2.72 0.15 0.18 -5.34 1.48 -1.26 -0.02 118.94 111.40 3jxw s TRP 109 Ca 0.11 -0.57 0.04 0.00 -1.06 0.00 0.00 56.10 54.62 3jxw s TRP 109 Cb 0.01 -0.04 -0.05 0.00 -1.16 0.00 0.00 33.47 32.23 3jxw s TRP 109 CO -0.04 -0.57 -0.06 -0.06 -4.06 0.00 0.00 176.95 172.16 3jxw s PHE 110 N -3.87 1.36 0.02 1.66 0.08 0.77 -4.96 117.98 113.04 3jxw s PHE 110 Ca 0.06 -0.82 0.05 0.00 0.12 0.00 0.00 56.93 56.33 3jxw s PHE 110 Cb 0.05 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 3jxw s PHE 110 CO -0.10 0.03 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.95 3jxw s GLU 111 N -3.79 2.40 0.30 0.44 2.12 -1.26 -1.81 118.70 117.10 3jxw s GLU 111 Ca 0.21 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.75 3jxw s GLU 111 Cb 0.04 -2.41 -0.06 0.00 0.26 0.00 0.00 34.13 31.96 3jxw s GLU 111 CO 0.03 0.58 0.07 1.03 -0.54 0.00 0.00 175.26 176.43 3jxw s ARG 112 N -1.53 1.57 0.43 4.30 0.52 0.39 -4.97 118.95 119.66 3jxw s ARG 112 Ca 0.17 -1.87 0.11 0.00 -0.52 0.00 0.00 55.73 53.63 3jxw s ARG 112 Cb -0.11 -0.66 0.97 0.00 0.52 0.00 0.00 34.95 35.67 3jxw s ARG 112 CO 0.08 -0.23 2.02 -1.35 0.02 0.00 0.00 175.30 175.84 3jxw h PRO 113 N 2.20 0.44 0.00 3.54 0.11 -2.03 -3.27 132.00 132.98 3jxw h PRO 113 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3jxw h PRO 113 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3jxw h PRO 113 CO 0.67 0.29 -0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 3jxw n ASP 114 N -4.47 1.84 -3.52 -2.05 9.92 -1.26 -5.00 116.55 112.00 3jxw n ASP 114 Ca 0.07 -1.93 -0.11 0.00 -0.53 0.00 0.00 54.79 52.29 3jxw n ASP 114 Cb 0.23 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.68 3jxw n ASP 114 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3jxw s SER 115 N -0.93 -0.44 0.07 -2.24 1.04 -1.24 -1.42 113.70 108.54 3jxw s SER 115 Ca 0.00 -0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.34 3jxw s SER 115 Cb 0.00 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 3jxw s SER 115 CO 0.00 -0.97 -0.09 -0.36 0.98 0.00 0.00 173.24 172.80 3jxw s PHE 116 N -3.78 2.79 -0.11 5.02 0.40 0.49 -0.46 117.98 122.33 3jxw s PHE 116 Ca 0.03 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 3jxw s PHE 116 Cb -0.01 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 42.04 3jxw s PHE 116 CO -0.11 0.41 -0.21 0.08 0.70 0.00 0.00 175.22 176.09 3jxw s VAL 117 N -1.15 1.88 -0.05 -0.44 1.01 -0.75 -0.72 120.40 120.18 3jxw s VAL 117 Ca 0.20 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3jxw s VAL 117 Cb -0.11 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3jxw s VAL 117 CO 0.12 0.52 -0.20 -0.76 0.00 0.00 0.00 175.10 174.78 3jxw s LEU 118 N 0.67 2.41 -0.19 3.92 1.02 0.13 -0.16 118.68 126.46 3jxw s LEU 118 Ca -0.12 -0.34 -0.03 0.00 0.02 0.00 0.00 54.13 53.66 3jxw s LEU 118 Cb -0.16 -1.46 -0.01 0.00 0.02 0.00 0.00 46.19 44.58 3jxw s LEU 118 CO 0.02 0.31 -0.07 -0.63 0.02 0.00 0.00 176.35 176.00 3jxw s ILE 119 N -0.53 3.27 0.19 -0.59 -1.09 0.96 -1.01 121.20 122.40 3jxw s ILE 119 Ca 0.07 -0.54 0.04 0.00 -2.23 0.00 0.00 60.65 57.98 3jxw s ILE 119 Cb -0.11 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.27 3jxw s ILE 119 CO 0.01 0.46 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.38 3jxw s LEU 120 N 1.15 2.30 0.86 2.97 1.43 -0.45 -0.51 118.68 126.43 3jxw s LEU 120 Ca 0.02 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 51.87 3jxw s LEU 120 Cb -0.14 -0.27 0.11 0.00 0.03 0.00 0.00 46.19 45.92 3jxw s LEU 120 CO -0.02 -0.46 1.09 -1.83 0.23 0.00 0.00 176.35 175.37 3jxw s GLU 121 N -3.83 1.51 -0.22 1.70 -1.05 -0.88 -0.77 118.70 115.16 3jxw s GLU 121 Ca 0.24 1.03 -0.03 0.00 -0.15 0.00 0.00 54.97 56.05 3jxw s GLU 121 Cb 0.05 -1.82 0.11 0.00 -0.44 0.00 0.00 34.13 32.02 3jxw s GLU 121 CO 0.05 -2.12 0.28 0.50 0.95 0.00 0.00 175.26 174.91 3jxw s ARG 122 N -4.87 0.25 0.52 -4.83 3.52 -1.24 -4.35 118.95 107.95 3jxw s ARG 122 Ca 0.63 0.27 -0.20 0.00 -0.13 0.00 0.00 55.73 56.29 3jxw s ARG 122 Cb -0.18 -0.93 -0.06 0.00 -1.56 0.00 0.00 34.95 32.21 3jxw s ARG 122 CO 0.57 -0.69 1.13 -1.25 -0.81 0.00 0.00 175.30 174.25 3jxw s PRO 123 N 2.40 3.49 -0.09 5.12 0.05 -1.26 -4.61 135.00 140.10 3jxw s PRO 123 Ca 0.09 1.64 0.00 0.00 0.05 0.00 0.00 61.00 62.78 3jxw s PRO 123 Cb -0.15 -2.12 0.02 0.00 0.05 0.00 0.00 34.50 32.30 3jxw s PRO 123 CO -0.15 -0.74 -0.07 -1.21 0.05 0.00 0.00 177.00 174.87 3jxw s GLU 124 N -3.12 1.37 0.67 4.56 0.41 -1.26 -3.83 118.70 117.50 3jxw s GLU 124 Ca 0.70 -0.23 -0.11 0.00 -0.41 0.00 0.00 54.97 54.92 3jxw s GLU 124 Cb -0.25 -1.37 -0.01 0.00 -1.78 0.00 0.00 34.13 30.72 3jxw s GLU 124 CO 0.29 -0.17 1.06 -1.25 -0.49 0.00 0.00 175.26 174.70 3jxw s PRO 125 N 1.38 3.15 0.01 0.39 0.04 -1.26 -4.84 135.00 133.87 3jxw s PRO 125 Ca -0.02 0.65 -0.05 0.00 0.04 0.00 0.00 61.00 61.61 3jxw s PRO 125 Cb -0.14 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 3jxw s PRO 125 CO -0.04 -0.87 0.09 0.54 0.04 0.00 0.00 177.00 176.76 3jxw s VAL 126 N -3.24 0.09 -0.06 -0.36 0.11 -1.25 -2.25 120.40 113.45 3jxw s VAL 126 Ca 0.57 -0.76 -0.17 0.00 -2.93 0.00 0.00 61.98 58.69 3jxw s VAL 126 Cb -0.11 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.38 3jxw s VAL 126 CO 0.53 -0.42 0.38 -1.58 -3.33 0.00 0.00 175.10 170.68 3jxw s GLN 127 N -1.43 0.66 0.36 1.54 0.74 -0.53 -4.94 119.66 116.06 3jxw s GLN 127 Ca -0.15 0.06 -0.10 0.00 0.05 0.00 0.00 55.36 55.23 3jxw s GLN 127 Cb -0.08 0.30 -0.06 0.00 1.10 0.00 0.00 33.01 34.27 3jxw s GLN 127 CO 0.01 -0.17 0.71 0.16 -0.55 0.00 0.00 175.29 175.45 3jxw s ASP 128 N -0.89 6.54 0.57 6.67 1.47 -1.26 -0.67 116.67 129.09 3jxw s ASP 128 Ca -0.10 1.05 0.33 0.00 1.18 0.00 0.00 52.55 55.02 3jxw s ASP 128 Cb -0.04 -2.29 1.72 0.00 -0.34 0.00 0.00 42.92 41.97 3jxw s ASP 128 CO 0.04 -0.32 2.15 0.25 0.68 0.00 0.00 175.17 177.97 3jxw h LEU 129 N 1.52 0.00 0.27 2.11 5.85 -0.60 -1.73 115.31 122.73 3jxw h LEU 129 Ca -0.47 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3jxw h LEU 129 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3jxw h LEU 129 CO 0.65 0.06 -0.13 0.15 -0.34 0.00 0.00 178.44 178.82 3jxw h PHE 130 N 0.00 -0.34 -0.77 1.25 3.04 -1.82 -1.50 116.94 116.80 3jxw h PHE 130 Ca -0.00 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.01 3jxw h PHE 130 Cb 0.25 0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.82 3jxw h PHE 130 CO 0.00 -0.00 0.46 -0.44 -2.02 0.00 0.00 178.31 176.30 3jxw h ASP 131 N -0.74 0.69 -0.34 0.41 3.32 -1.81 0.16 116.42 118.12 3jxw h ASP 131 Ca -0.04 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3jxw h ASP 131 Cb 0.49 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3jxw h ASP 131 CO 0.06 0.44 0.11 0.15 -1.72 0.00 0.00 179.24 178.28 3jxw h PHE 132 N 0.83 0.60 -0.02 4.55 3.57 -1.28 0.74 116.94 125.93 3jxw h PHE 132 Ca 0.34 -0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.57 3jxw h PHE 132 Cb 0.20 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 38.76 3jxw h PHE 132 CO -0.05 0.51 -0.94 0.82 -2.23 0.00 0.00 178.31 176.41 3jxw h ILE 133 N 0.59 1.36 -0.68 1.41 2.04 -0.70 -1.72 117.51 119.80 3jxw h ILE 133 Ca 0.14 -2.34 0.04 0.00 1.00 0.00 0.00 64.86 63.71 3jxw h ILE 133 Cb 0.20 2.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 3jxw h ILE 133 CO -0.01 0.71 0.40 0.74 0.00 0.00 0.00 178.15 180.00 3jxw h THR 134 N 0.30 1.03 0.50 -0.27 2.02 0.25 -1.38 112.91 115.37 3jxw h THR 134 Ca -0.09 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3jxw h THR 134 Cb 1.58 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3jxw h THR 134 CO 0.17 0.14 -0.24 -0.33 0.37 0.00 0.00 175.52 175.63 3jxw h GLU 135 N 0.77 -0.65 -0.15 6.66 5.08 -0.92 -3.38 114.58 121.99 3jxw h GLU 135 Ca 0.29 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3jxw h GLU 135 Cb 0.10 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3jxw h GLU 135 CO -0.14 -0.36 0.00 0.54 -1.00 0.00 0.00 179.01 178.05 3jxw n ARG 136 N -5.24 2.15 0.00 2.33 1.74 -0.65 -5.05 116.66 111.94 3jxw n ARG 136 Ca -0.10 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.28 3jxw n ARG 136 Cb 0.30 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3jxw n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jxw n GLY 137 N 1.33 0.72 3.61 -0.13 0.00 -0.52 -4.75 105.19 105.43 3jxw n GLY 137 Ca 0.17 -0.80 -0.46 0.00 0.00 0.00 0.00 46.02 44.93 3jxw n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxw n ALA 138 N 3.18 -0.08 -2.43 4.61 0.00 -1.26 -4.63 120.51 119.90 3jxw n ALA 138 Ca 0.00 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 3jxw n ALA 138 Cb 0.00 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.31 3jxw n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3jxw s LEU 139 N 0.38 4.31 0.45 0.00 1.43 -0.45 -4.89 118.68 119.91 3jxw s LEU 139 Ca 0.65 0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 54.48 3jxw s LEU 139 Cb -0.73 -3.28 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 3jxw s LEU 139 CO 0.56 0.08 1.18 0.00 0.23 0.00 0.00 176.35 178.40 3jxw n GLN 140 N 0.63 1.65 -0.17 1.70 6.02 -1.26 -4.71 117.38 121.24 3jxw n GLN 140 Ca -0.05 0.59 -0.02 0.00 -0.01 0.00 0.00 57.00 57.52 3jxw n GLN 140 Cb 0.52 -2.30 0.07 0.00 1.02 0.00 0.00 30.24 29.55 3jxw n GLN 140 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3jxw h GLU 141 N 1.71 0.13 -0.97 -1.09 5.08 -1.96 -0.96 114.58 116.51 3jxw h GLU 141 Ca -0.47 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.06 3jxw h GLU 141 Cb 1.31 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.45 3jxw h GLU 141 CO 0.58 0.08 0.61 1.49 -1.00 0.00 0.00 179.01 180.77 3jxw h GLU 142 N 0.13 0.64 -0.01 2.33 4.81 -2.00 0.30 114.58 120.78 3jxw h GLU 142 Ca 0.26 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3jxw h GLU 142 Cb 0.40 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3jxw h GLU 142 CO -0.42 0.43 -0.07 1.25 -0.73 0.00 0.00 179.01 179.47 3jxw h LEU 143 N 0.66 0.08 -0.70 1.64 5.85 -1.56 -3.11 115.31 118.17 3jxw h LEU 143 Ca 0.53 -0.69 0.16 0.00 0.84 0.00 0.00 57.88 58.72 3jxw h LEU 143 Cb 0.95 -0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.84 3jxw h LEU 143 CO -0.29 0.75 0.03 0.00 -0.34 0.00 0.00 178.44 178.59 3jxw h ALA 144 N 0.33 0.74 -0.06 1.25 0.00 -0.66 -0.68 119.26 120.18 3jxw h ALA 144 Ca -0.01 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3jxw h ALA 144 Cb 0.76 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3jxw h ALA 144 CO 0.01 -0.40 -0.08 -0.09 0.00 0.00 0.00 179.25 178.69 3jxw h ARG 145 N 0.13 0.09 0.19 0.00 2.43 -0.98 0.85 114.38 117.09 3jxw h ARG 145 Ca 0.38 -0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 59.24 3jxw h ARG 145 Cb 0.65 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3jxw h ARG 145 CO -0.60 0.18 -1.40 1.03 -1.51 0.00 0.00 179.97 177.67 3jxw h SER 146 N 0.09 0.62 -0.16 -3.80 0.87 -1.34 -2.13 113.55 107.70 3jxw h SER 146 Ca 0.02 -0.92 0.01 0.00 -1.23 0.00 0.00 61.79 59.67 3jxw h SER 146 Cb 0.20 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3jxw h SER 146 CO 0.01 1.65 0.08 -0.26 -0.53 0.00 0.00 176.83 177.78 3jxw h PHE 147 N -0.06 0.14 0.31 2.24 -1.00 -0.63 -2.63 116.94 115.31 3jxw h PHE 147 Ca -0.27 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.51 3jxw h PHE 147 Cb 1.96 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 41.49 3jxw h PHE 147 CO 0.14 0.08 -0.15 0.35 -1.61 0.00 0.00 178.31 177.12 3jxw h PHE 148 N 0.17 -0.38 -0.96 -0.55 3.57 0.69 -1.66 116.94 117.82 3jxw h PHE 148 Ca 0.07 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.72 3jxw h PHE 148 Cb 0.02 0.13 -0.16 0.00 2.79 0.00 0.00 35.95 38.72 3jxw h PHE 148 CO -0.09 -0.12 -0.33 1.87 -2.23 0.00 0.00 178.31 177.41 3jxw n TRP 149 N -5.19 0.14 0.06 0.41 -0.00 -0.80 -0.37 117.44 111.68 3jxw n TRP 149 Ca -0.10 1.18 -0.01 0.00 -0.00 0.00 0.00 57.50 58.57 3jxw n TRP 149 Cb 0.23 -0.93 0.27 0.00 -0.00 0.00 0.00 31.31 30.89 3jxw n TRP 149 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3jxw h GLN 150 N 0.00 0.37 0.15 5.87 4.20 -0.98 0.27 115.11 124.99 3jxw h GLN 150 Ca 0.38 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 3jxw h GLN 150 Cb 0.62 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3jxw h GLN 150 CO -0.97 0.57 -0.07 0.28 -0.67 0.00 0.00 178.83 177.97 3jxw h VAL 151 N 0.34 0.99 -0.94 -0.54 2.07 -0.08 -0.81 116.25 117.27 3jxw h VAL 151 Ca 0.06 -0.87 0.27 0.00 0.82 0.00 0.00 66.70 66.98 3jxw h VAL 151 Cb 0.56 1.50 -0.14 0.00 -1.52 0.00 0.00 31.29 31.68 3jxw h VAL 151 CO 0.04 0.20 0.41 -0.07 0.02 0.00 0.00 177.57 178.16 3jxw h LEU 152 N -0.65 0.28 -0.67 2.57 -0.00 -0.00 0.21 115.31 117.05 3jxw h LEU 152 Ca -0.02 0.19 -0.14 0.00 -0.00 0.00 0.00 57.88 57.91 3jxw h LEU 152 Cb 0.48 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 3jxw h LEU 152 CO 0.03 -0.12 -0.47 -0.33 -0.00 0.00 0.00 178.44 177.55 3jxw h GLU 153 N 0.29 0.47 -0.42 1.13 4.39 -0.02 -1.52 114.58 118.90 3jxw h GLU 153 Ca 0.64 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 60.03 3jxw h GLU 153 Cb 1.36 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 3jxw h GLU 153 CO -0.62 0.84 0.09 0.00 -1.16 0.00 0.00 179.01 178.17 3jxw h ALA 154 N 1.12 0.56 -0.15 3.43 0.00 0.79 -1.96 119.26 123.04 3jxw h ALA 154 Ca 0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3jxw h ALA 154 Cb 0.96 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3jxw h ALA 154 CO 0.08 0.24 -0.48 0.28 0.00 0.00 0.00 179.25 179.38 3jxw h VAL 155 N 0.54 1.34 -0.84 0.00 2.07 -0.96 -1.12 116.25 117.28 3jxw h VAL 155 Ca 0.13 -1.74 0.15 0.00 0.82 0.00 0.00 66.70 66.05 3jxw h VAL 155 Cb 0.33 2.01 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 3jxw h VAL 155 CO 0.00 0.53 0.42 0.03 0.02 0.00 0.00 177.57 178.58 3jxw h ARG 156 N 0.25 0.58 -0.03 1.57 3.08 -1.30 0.20 114.38 118.73 3jxw h ARG 156 Ca -0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3jxw h ARG 156 Cb 1.10 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3jxw h ARG 156 CO 0.10 0.39 0.02 1.25 -1.07 0.00 0.00 179.97 180.66 3jxw h HIS 157 N 0.60 0.04 -0.93 3.04 2.76 -0.69 -2.02 115.15 117.95 3jxw h HIS 157 Ca 0.46 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.71 3jxw h HIS 157 Cb 0.66 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.53 3jxw h HIS 157 CO -0.10 0.07 0.58 0.00 -1.30 0.00 0.00 177.93 177.18 3jxw h HIS 159 N 1.02 1.04 -0.74 0.00 -0.00 -0.30 -0.76 115.15 115.42 3jxw h HIS 159 Ca 0.42 -0.15 0.10 0.00 -0.00 0.00 0.00 60.37 60.75 3jxw h HIS 159 Cb 0.27 -0.28 -0.08 0.00 -0.00 0.00 0.00 27.41 27.31 3jxw h HIS 159 CO -0.02 0.91 0.36 -0.91 -0.00 0.00 0.00 177.93 178.27 3jxw h ASN 160 N 0.88 0.46 0.00 2.45 4.21 -0.99 -2.37 115.58 120.22 3jxw h ASN 160 Ca 0.18 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.75 3jxw h ASN 160 Cb 0.43 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3jxw h ASN 160 CO 0.01 0.25 0.00 0.00 -1.29 0.00 0.00 177.43 176.40 3jxw n GLY 162 N 0.23 0.46 3.73 0.00 0.00 -0.89 -4.88 105.19 103.84 3jxw n GLY 162 Ca 0.13 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 3jxw n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jxw s VAL 163 N -2.00 4.83 -0.23 1.61 1.01 -0.34 0.15 120.40 125.43 3jxw s VAL 163 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 3jxw s VAL 163 Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.31 3jxw s VAL 163 CO 0.00 0.56 -0.11 -0.22 0.00 0.00 0.00 175.10 175.33 3jxw s LEU 164 N -0.53 2.88 0.08 3.92 2.96 0.53 -3.26 118.68 125.26 3jxw s LEU 164 Ca 0.10 -0.87 -0.18 0.00 -0.22 0.00 0.00 54.13 52.97 3jxw s LEU 164 Cb -0.12 -1.59 -0.08 0.00 0.50 0.00 0.00 46.19 44.90 3jxw s LEU 164 CO 0.02 -0.09 1.51 -0.74 -1.32 0.00 0.00 176.35 175.73 3jxw h HIS 165 N 7.95 0.51 0.00 5.38 -0.00 -1.94 -1.26 115.15 125.80 3jxw h HIS 165 Ca -0.35 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3jxw h HIS 165 Cb 1.11 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 3jxw h HIS 165 CO 0.55 0.65 0.00 0.54 -0.00 0.00 0.00 177.93 179.67 3jxw n ARG 166 N -4.60 -0.81 -2.72 5.26 1.74 -1.26 -2.92 116.66 111.35 3jxw n ARG 166 Ca -0.03 0.20 -0.05 0.00 -0.77 0.00 0.00 57.85 57.20 3jxw n ARG 166 Cb 0.26 -4.09 0.07 0.00 -1.02 0.00 0.00 32.46 27.68 3jxw n ARG 166 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3jxw n ASP 167 N -0.41 0.41 -4.71 0.55 2.03 -1.26 -4.59 116.55 108.58 3jxw n ASP 167 Ca 0.00 -2.42 -0.42 0.00 0.52 0.00 0.00 54.79 52.47 3jxw n ASP 167 Cb 0.20 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 3jxw n ASP 167 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3jxw s ILE 168 N -2.20 3.81 -0.00 5.18 1.01 -1.26 -4.75 121.20 122.99 3jxw s ILE 168 Ca 0.24 1.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 3jxw s ILE 168 Cb 0.41 -3.81 0.11 0.00 0.01 0.00 0.00 42.46 39.18 3jxw s ILE 168 CO -0.03 0.07 1.25 -1.59 0.00 0.00 0.00 174.94 174.64 3jxw s LYS 169 N 1.42 0.49 0.23 2.79 -2.85 -1.26 -4.88 119.74 115.68 3jxw s LYS 169 Ca 0.61 -0.27 -0.06 0.00 -1.00 0.00 0.00 55.97 55.26 3jxw s LYS 169 Cb -0.31 0.17 0.40 0.00 -2.06 0.00 0.00 37.83 36.03 3jxw s LYS 169 CO 0.28 -0.22 1.74 0.38 0.10 0.00 0.00 175.35 177.63 3jxw h ASP 170 N 2.00 0.29 0.45 0.03 3.04 -1.93 -1.53 116.42 118.77 3jxw h ASP 170 Ca -0.29 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.59 3jxw h ASP 170 Cb 1.21 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 3jxw h ASP 170 CO 0.28 0.13 0.00 -0.33 -2.04 0.00 0.00 179.24 177.28 3jxw h GLU 171 N 0.46 0.00 -0.87 4.15 5.08 -1.94 -2.10 114.58 119.36 3jxw h GLU 171 Ca 0.38 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.28 3jxw h GLU 171 Cb 0.54 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.52 3jxw h GLU 171 CO -0.37 0.00 0.51 0.09 -1.00 0.00 0.00 179.01 178.24 3jxw n ASN 172 N -2.37 3.82 -3.66 1.42 3.02 -0.58 -4.86 115.26 112.06 3jxw n ASN 172 Ca 0.00 -3.67 -0.21 0.00 -0.03 0.00 0.00 54.58 50.68 3jxw n ASN 172 Cb 0.16 -0.80 -0.18 0.00 -0.61 0.00 0.00 39.78 38.35 3jxw n ASN 172 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jxw s ILE 173 N -3.43 -0.12 -0.08 2.41 1.01 -0.80 -1.19 121.20 118.99 3jxw s ILE 173 Ca 0.55 0.33 -0.11 0.00 0.00 0.00 0.00 60.65 61.42 3jxw s ILE 173 Cb 0.47 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.66 3jxw s ILE 173 CO 0.08 0.10 0.27 -0.76 0.00 0.00 0.00 174.94 174.63 3jxw s LEU 174 N 2.18 4.39 -0.21 2.97 1.43 0.03 -0.34 118.68 129.13 3jxw s LEU 174 Ca 0.04 0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 53.71 3jxw s LEU 174 Cb -0.13 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 3jxw s LEU 174 CO -0.04 0.31 0.12 -0.63 0.23 0.00 0.00 176.35 176.34 3jxw s ILE 175 N -0.73 5.13 -0.77 -0.59 1.01 0.16 0.05 121.20 125.46 3jxw s ILE 175 Ca 0.18 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 3jxw s ILE 175 Cb -0.14 -3.36 0.10 0.00 0.01 0.00 0.00 42.46 39.07 3jxw s ILE 175 CO 0.07 0.41 1.02 -0.62 0.00 0.00 0.00 174.94 175.82 3jxw s ASP 176 N 0.70 6.36 0.64 3.58 -1.08 -0.04 -1.45 116.67 125.36 3jxw s ASP 176 Ca 0.06 -1.44 0.38 0.00 -0.52 0.00 0.00 52.55 51.03 3jxw s ASP 176 Cb -0.13 -2.41 2.08 0.00 -1.46 0.00 0.00 42.92 41.00 3jxw s ASP 176 CO 0.01 -1.27 2.17 -0.07 0.52 0.00 0.00 175.17 176.53 3jxw h LEU 177 N 10.91 0.00 0.00 -1.34 3.38 -1.76 0.31 115.31 126.82 3jxw h LEU 177 Ca -0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3jxw h LEU 177 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3jxw h LEU 177 CO 1.15 0.00 -0.54 0.78 0.09 0.00 0.00 178.44 179.92 3jxw h ASN 178 N 0.00 0.00 0.56 -0.43 2.35 -1.89 -3.37 115.58 112.81 3jxw h ASN 178 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 3jxw h ASN 178 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3jxw h ASN 178 CO 0.00 1.00 0.00 0.54 -1.65 0.00 0.00 177.43 177.32 3jxw n ARG 179 N -4.59 0.38 -2.61 0.81 1.74 -1.16 -4.82 116.66 106.41 3jxw n ARG 179 Ca -0.14 0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.77 3jxw n ARG 179 Cb 0.40 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 3jxw n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jxw n GLY 180 N 1.14 -0.36 3.45 -0.13 0.00 0.09 -3.35 105.19 106.02 3jxw n GLY 180 Ca 0.13 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3jxw n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jxw s GLU 181 N -5.20 3.55 0.15 1.61 2.02 -1.20 -4.59 118.70 115.05 3jxw s GLU 181 Ca 0.12 -0.59 -0.17 0.00 0.02 0.00 0.00 54.97 54.36 3jxw s GLU 181 Cb -0.05 -2.80 -0.07 0.00 0.10 0.00 0.00 34.13 31.31 3jxw s GLU 181 CO 0.15 0.23 0.60 -0.51 0.02 0.00 0.00 175.26 175.75 3jxw s LEU 182 N 0.35 4.38 -0.05 1.80 1.02 -1.26 -0.86 118.68 124.05 3jxw s LEU 182 Ca -0.07 1.20 0.01 0.00 0.02 0.00 0.00 54.13 55.29 3jxw s LEU 182 Cb -0.15 -3.27 0.02 0.00 0.02 0.00 0.00 46.19 42.82 3jxw s LEU 182 CO 0.04 0.12 -0.05 -0.54 0.02 0.00 0.00 176.35 175.94 3jxw s LYS 183 N -1.78 0.95 0.14 1.70 1.02 0.11 -4.63 119.74 117.24 3jxw s LYS 183 Ca 0.37 -0.12 -0.23 0.00 0.02 0.00 0.00 55.97 56.00 3jxw s LYS 183 Cb -0.16 -0.97 -0.08 0.00 -0.52 0.00 0.00 37.83 36.11 3jxw s LYS 183 CO 0.20 -0.11 0.71 -1.17 -0.92 0.00 0.00 175.35 174.06 3jxw s LEU 184 N 1.06 4.57 0.15 3.17 2.96 -0.86 -0.79 118.68 128.95 3jxw s LEU 184 Ca -0.09 1.52 0.02 0.00 -0.22 0.00 0.00 54.13 55.37 3jxw s LEU 184 Cb -0.14 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.34 3jxw s LEU 184 CO -0.01 0.23 -0.03 0.27 -1.32 0.00 0.00 176.35 175.49 3jxw s ILE 185 N -1.13 0.77 -0.12 6.68 -4.36 -0.34 -2.32 121.20 120.40 3jxw s ILE 185 Ca 0.34 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.72 3jxw s ILE 185 Cb -0.22 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.51 3jxw s ILE 185 CO 0.24 -0.61 0.07 -0.67 0.24 0.00 0.00 174.94 174.21 3jxw n ASP 186 N -0.19 -4.06 -1.32 4.36 -0.08 -1.26 -4.75 116.55 109.24 3jxw n ASP 186 Ca -0.08 0.39 0.06 0.00 -1.51 0.00 0.00 54.79 53.65 3jxw n ASP 186 Cb 0.62 -2.50 0.27 0.00 2.34 0.00 0.00 41.12 41.86 3jxw n ASP 186 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3jxw n PHE 187 N 0.03 1.22 0.47 -0.67 3.01 -1.26 -4.57 117.46 115.69 3jxw n PHE 187 Ca 0.01 -0.46 0.05 0.00 1.01 0.00 0.00 57.45 58.06 3jxw n PHE 187 Cb 0.05 -0.25 0.26 0.00 -0.01 0.00 0.00 39.48 39.53 3jxw n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3jxw n GLY 188 N 0.79 -0.71 0.01 1.37 0.00 -1.26 -0.92 105.19 104.46 3jxw n GLY 188 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.18 3jxw n GLY 188 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3jxw n SER 189 N -1.35 2.03 -4.75 1.61 7.64 -1.26 -4.91 113.62 112.62 3jxw n SER 189 Ca 0.04 -2.09 -0.29 0.00 1.01 0.00 0.00 58.87 57.54 3jxw n SER 189 Cb 0.10 -0.04 0.14 0.00 -1.01 0.00 0.00 64.21 63.40 3jxw n SER 189 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3jxw s GLY 190 N -1.16 1.58 0.15 0.23 0.00 -0.10 -4.68 107.32 103.35 3jxw s GLY 190 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 3jxw s GLY 190 CO 0.00 0.16 0.11 0.00 0.00 0.00 0.00 173.10 173.37 3jxw s ALA 191 N -3.14 0.76 0.29 3.20 0.00 -0.47 -4.93 121.76 117.46 3jxw s ALA 191 Ca 0.64 -1.40 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 3jxw s ALA 191 Cb -0.16 0.94 -0.13 0.00 0.00 0.00 0.00 23.12 23.77 3jxw s ALA 191 CO 0.55 -0.53 1.35 1.28 0.00 0.00 0.00 175.76 178.41 3jxw n LEU 192 N -0.14 3.31 -4.78 0.00 4.77 -1.26 -0.34 117.00 118.55 3jxw n LEU 192 Ca -0.05 1.17 -0.36 0.00 -0.03 0.00 0.00 56.01 56.75 3jxw n LEU 192 Cb 0.64 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 3jxw n LEU 192 CO 0.30 -0.49 0.75 -0.22 -1.33 0.00 0.00 177.39 176.40 3jxw s LEU 193 N -0.41 4.03 0.16 2.23 2.96 0.39 -4.66 118.68 123.39 3jxw s LEU 193 Ca 0.62 2.08 -0.23 0.00 -0.22 0.00 0.00 54.13 56.38 3jxw s LEU 193 Cb -0.61 -4.29 0.06 0.00 0.50 0.00 0.00 46.19 41.85 3jxw s LEU 193 CO 0.56 -0.68 0.65 -1.59 -1.32 0.00 0.00 176.35 173.97 3jxw s LYS 194 N -2.73 1.32 0.01 1.98 -2.85 -1.26 -4.90 119.74 111.31 3jxw s LYS 194 Ca 0.62 -0.54 0.23 0.00 -1.00 0.00 0.00 55.97 55.27 3jxw s LYS 194 Cb -0.22 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.15 3jxw s LYS 194 CO 0.28 -0.58 1.05 -0.25 0.10 0.00 0.00 175.35 175.94 3jxw n ASP 195 N -0.38 0.70 -2.72 0.03 8.00 -1.26 -4.61 116.55 116.31 3jxw n ASP 195 Ca -0.14 -0.50 -0.10 0.00 0.71 0.00 0.00 54.79 54.76 3jxw n ASP 195 Cb 0.64 0.80 0.07 0.00 -0.02 0.00 0.00 41.12 42.60 3jxw n ASP 195 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3jxw n THR 196 N -1.69 0.00 -3.21 -3.53 -2.24 -1.26 -5.01 114.28 97.33 3jxw n THR 196 Ca 0.03 -0.38 -0.26 0.00 -2.27 0.00 0.00 64.05 61.17 3jxw n THR 196 Cb 0.38 -1.72 -0.02 0.00 -2.10 0.00 0.00 70.33 66.87 3jxw n THR 196 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jxw s VAL 197 N -1.86 5.04 -0.12 2.28 0.11 -1.26 -4.72 120.40 119.87 3jxw s VAL 197 Ca 0.26 -0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.15 3jxw s VAL 197 Cb -0.01 -3.82 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 3jxw s VAL 197 CO 0.18 -0.54 -0.08 -0.31 -3.33 0.00 0.00 175.10 171.03 3jxw s TYR 198 N -2.33 2.93 -0.15 1.54 1.51 -0.26 -4.98 117.35 115.61 3jxw s TYR 198 Ca 0.43 -0.31 0.17 0.00 -1.01 0.00 0.00 57.07 56.35 3jxw s TYR 198 Cb -0.10 -1.85 0.32 0.00 -0.11 0.00 0.00 41.96 40.22 3jxw s TYR 198 CO 0.36 0.02 1.17 0.25 -1.11 0.00 0.00 175.55 176.23 3jxw n THR 199 N 3.14 1.97 -3.95 -0.71 -2.24 -1.26 -2.78 114.28 108.45 3jxw n THR 199 Ca -0.18 -2.50 -0.11 0.00 -2.27 0.00 0.00 64.05 58.99 3jxw n THR 199 Cb 0.53 -0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 3jxw n THR 199 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3jxw s ASP 200 N -2.97 0.19 -0.15 3.42 3.84 -1.26 -4.93 116.67 114.81 3jxw s ASP 200 Ca 0.33 -0.26 -0.07 0.00 -0.00 0.00 0.00 52.55 52.56 3jxw s ASP 200 Cb 0.30 0.04 0.06 0.00 -1.38 0.00 0.00 42.92 41.95 3jxw s ASP 200 CO 0.01 -0.14 0.33 0.12 -0.00 0.00 0.00 175.17 175.48 3jxw s PHE 201 N -0.74 -0.51 -0.27 2.11 5.36 -1.26 -5.03 117.98 117.63 3jxw s PHE 201 Ca -0.08 1.11 0.15 0.00 -0.96 0.00 0.00 56.93 57.15 3jxw s PHE 201 Cb -0.05 0.14 0.48 0.00 -0.34 0.00 0.00 43.02 43.25 3jxw s PHE 201 CO -0.00 -0.34 1.15 -3.47 -1.46 0.00 0.00 175.22 171.10 3jxw n ASP 202 N 4.71 3.15 0.00 6.13 2.03 -1.26 -5.04 116.55 126.27 3jxw n ASP 202 Ca -0.17 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.26 3jxw n ASP 202 Cb 0.52 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 3jxw n ASP 202 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jxw n GLY 203 N -0.64 3.86 3.63 0.27 0.00 -1.26 -4.81 105.19 106.24 3jxw n GLY 203 Ca 0.25 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3jxw n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jxw s THR 204 N 2.21 4.81 0.12 2.61 2.01 -1.26 -4.99 115.64 121.14 3jxw s THR 204 Ca 0.00 1.42 -0.32 0.00 0.31 0.00 0.00 61.69 63.10 3jxw s THR 204 Cb 0.00 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 3jxw s THR 204 CO 0.00 -0.15 1.57 -0.09 -0.69 0.00 0.00 174.62 175.26 3jxw h ARG 205 N 7.87 -0.59 0.00 4.92 2.43 -1.98 -2.54 114.38 124.49 3jxw h ARG 205 Ca -0.24 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3jxw h ARG 205 Cb 1.09 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3jxw h ARG 205 CO 0.88 -0.39 -0.00 -0.39 -1.51 0.00 0.00 179.97 178.55 3jxw h VAL 206 N -0.61 0.06 -0.07 0.20 -1.51 -1.91 0.72 116.25 113.13 3jxw h VAL 206 Ca 0.04 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 3jxw h VAL 206 Cb 0.68 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3jxw h VAL 206 CO -0.34 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 174.78 3jxw n TYR 207 N -3.16 0.07 -3.09 5.19 4.02 -0.98 -4.83 117.16 114.37 3jxw n TYR 207 Ca -0.03 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.90 57.51 3jxw n TYR 207 Cb 0.09 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.36 3jxw n TYR 207 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3jxw s SER 208 N -1.91 6.67 0.75 7.72 1.04 0.25 -4.02 113.70 124.20 3jxw s SER 208 Ca 0.34 1.18 -0.12 0.00 0.48 0.00 0.00 55.95 57.83 3jxw s SER 208 Cb 0.20 -2.33 0.04 0.00 0.10 0.00 0.00 66.02 64.03 3jxw s SER 208 CO 0.31 -0.25 1.12 -2.16 0.98 0.00 0.00 173.24 173.24 3jxw s PRO 209 N -3.24 2.48 0.51 4.02 0.04 -1.26 -4.86 135.00 132.69 3jxw s PRO 209 Ca 0.52 0.40 0.28 0.00 0.04 0.00 0.00 61.00 62.25 3jxw s PRO 209 Cb -0.10 -1.98 1.32 0.00 0.04 0.00 0.00 34.50 33.77 3jxw s PRO 209 CO 0.22 -1.29 1.99 -1.00 0.04 0.00 0.00 177.00 176.97 3jxw h PRO 210 N -0.84 0.00 0.00 0.56 0.13 -1.90 -1.52 132.00 128.43 3jxw h PRO 210 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 3jxw h PRO 210 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3jxw h PRO 210 CO 0.64 0.13 -0.18 1.05 -0.23 0.00 0.00 178.00 179.41 3jxw h GLU 211 N 0.00 0.00 0.04 0.86 9.09 -1.86 -1.57 114.58 121.14 3jxw h GLU 211 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3jxw h GLU 211 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 3jxw h GLU 211 CO 0.02 0.18 -0.02 2.35 0.05 0.00 0.00 179.01 181.58 3jxw h TRP 212 N 0.00 -0.06 -0.98 2.06 2.91 -1.25 -1.51 115.95 117.13 3jxw h TRP 212 Ca -0.00 -0.00 0.20 0.00 1.13 0.00 0.00 58.89 60.22 3jxw h TRP 212 Cb 0.41 0.02 -0.11 0.00 -0.51 0.00 0.00 29.16 28.97 3jxw h TRP 212 CO 0.00 0.57 0.58 0.82 -1.03 0.00 0.00 178.44 179.38 3jxw h ILE 213 N -0.78 0.65 0.02 2.65 1.08 -1.13 -0.09 117.51 119.90 3jxw h ILE 213 Ca -0.01 -0.24 -0.32 0.00 -0.39 0.00 0.00 64.86 63.91 3jxw h ILE 213 Cb 0.65 -0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 3jxw h ILE 213 CO 0.01 0.13 -1.78 0.54 -0.69 0.00 0.00 178.15 176.36 3jxw n ARG 214 N -4.82 0.61 0.00 2.37 1.74 -0.62 -4.67 116.66 111.27 3jxw n ARG 214 Ca 0.24 0.42 0.09 0.00 -0.77 0.00 0.00 57.85 57.82 3jxw n ARG 214 Cb 0.61 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 3jxw n ARG 214 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3jxw n TYR 215 N -4.16 0.00 -2.71 -1.55 4.01 -0.58 -4.97 117.16 107.20 3jxw n TYR 215 Ca -0.39 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.15 3jxw n TYR 215 Cb 0.81 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.86 3jxw n TYR 215 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3jxw n HIS 216 N -1.33 -1.46 -3.88 -0.72 8.25 -0.05 -5.01 115.22 111.02 3jxw n HIS 216 Ca 0.04 0.28 -0.11 0.00 -0.26 0.00 0.00 57.72 57.66 3jxw n HIS 216 Cb 0.29 -4.11 -0.11 0.00 1.12 0.00 0.00 29.99 27.17 3jxw n HIS 216 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3jxw s ARG 217 N -5.35 0.29 0.28 -0.41 0.52 -1.21 -4.49 118.95 108.58 3jxw s ARG 217 Ca 0.16 -0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 3jxw s ARG 217 Cb -0.07 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.52 3jxw s ARG 217 CO 0.20 -0.06 0.49 1.52 0.02 0.00 0.00 175.30 177.47 3jxw s TYR 218 N -0.79 0.50 0.15 -0.53 1.13 -1.12 -3.16 117.35 113.53 3jxw s TYR 218 Ca -0.09 -0.85 0.10 0.00 -1.41 0.00 0.00 57.07 54.82 3jxw s TYR 218 Cb -0.05 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 3jxw s TYR 218 CO 0.00 -1.06 -0.20 -1.01 -2.51 0.00 0.00 175.55 170.77 3jxw s HIS 219 N -3.71 2.44 0.07 -3.49 3.76 -1.26 -1.10 115.29 112.00 3jxw s HIS 219 Ca 0.24 -0.31 -0.24 0.00 -0.15 0.00 0.00 55.06 54.61 3jxw s HIS 219 Cb -0.01 -1.26 -0.10 0.00 1.11 0.00 0.00 32.58 32.32 3jxw s HIS 219 CO 0.11 0.43 1.38 0.78 -0.85 0.00 0.00 174.74 176.59 3jxw h GLY 220 N 3.48 -1.18 0.19 -2.22 0.00 -1.84 -1.71 103.07 99.79 3jxw h GLY 220 Ca -0.49 0.60 0.01 0.00 0.00 0.00 0.00 47.33 47.46 3jxw h GLY 220 CO 0.46 -0.33 -0.49 3.21 0.00 0.00 0.00 176.54 179.39 3jxw h ARG 221 N -0.52 -0.71 -0.04 4.80 3.08 -1.98 0.17 114.38 119.18 3jxw h ARG 221 Ca -0.01 0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3jxw h ARG 221 Cb 0.52 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3jxw h ARG 221 CO -0.19 -0.47 -0.14 0.66 -1.07 0.00 0.00 179.97 178.76 3jxw h SER 222 N -0.74 0.06 0.51 7.04 4.64 -1.91 0.75 113.55 123.90 3jxw h SER 222 Ca 0.00 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 3jxw h SER 222 Cb 0.74 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3jxw h SER 222 CO -0.27 0.21 -1.07 0.00 -0.87 0.00 0.00 176.83 174.83 3jxw h ALA 223 N 1.80 0.26 -0.46 5.18 0.00 -0.47 -2.81 119.26 122.76 3jxw h ALA 223 Ca 0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 3jxw h ALA 223 Cb 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3jxw h ALA 223 CO 0.02 0.90 0.24 0.00 0.00 0.00 0.00 179.25 180.41 3jxw h ALA 224 N 0.70 1.57 -0.17 0.00 0.00 0.60 -2.05 119.26 119.91 3jxw h ALA 224 Ca -0.10 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 3jxw h ALA 224 Cb 1.75 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3jxw h ALA 224 CO 0.18 0.36 -0.66 0.28 0.00 0.00 0.00 179.25 179.40 3jxw h VAL 225 N 0.63 1.31 0.22 0.00 2.07 -0.77 -1.19 116.25 118.53 3jxw h VAL 225 Ca 0.16 -1.93 0.01 0.00 0.82 0.00 0.00 66.70 65.76 3jxw h VAL 225 Cb 0.03 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3jxw h VAL 225 CO -0.03 0.60 -0.26 -0.25 0.02 0.00 0.00 177.57 177.66 3jxw h TRP 226 N 0.47 -0.68 -0.55 1.57 2.91 -1.24 0.17 115.95 118.60 3jxw h TRP 226 Ca -0.02 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.13 3jxw h TRP 226 Cb 1.25 0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 30.14 3jxw h TRP 226 CO 0.06 -0.37 0.38 0.66 -1.03 0.00 0.00 178.44 178.14 3jxw h SER 227 N -0.52 0.17 -0.19 2.65 4.64 -1.20 0.01 113.55 119.09 3jxw h SER 227 Ca 0.00 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3jxw h SER 227 Cb 0.50 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3jxw h SER 227 CO -0.08 0.09 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.24 3jxw h LEU 228 N 0.18 0.94 -1.12 5.97 3.38 -0.01 0.19 115.31 124.84 3jxw h LEU 228 Ca 0.26 -0.56 0.09 0.00 0.09 0.00 0.00 57.88 57.76 3jxw h LEU 228 Cb 0.78 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 3jxw h LEU 228 CO -0.04 1.36 0.60 1.23 0.09 0.00 0.00 178.44 181.68 3jxw h GLY 229 N 0.66 1.40 0.81 0.83 0.00 0.11 0.28 103.07 107.15 3jxw h GLY 229 Ca -0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 3jxw h GLY 229 CO 0.14 0.24 -0.19 -2.22 0.00 0.00 0.00 176.54 174.51 3jxw h ILE 230 N 0.98 1.33 -0.55 2.60 1.08 -0.90 -1.47 117.51 120.58 3jxw h ILE 230 Ca 0.43 -1.36 -0.02 0.00 -0.39 0.00 0.00 64.86 63.52 3jxw h ILE 230 Cb 0.34 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 35.87 3jxw h ILE 230 CO -0.19 0.41 0.28 0.25 -0.69 0.00 0.00 178.15 178.21 3jxw h LEU 231 N 0.12 0.71 -1.00 1.44 5.85 -0.04 0.18 115.31 122.57 3jxw h LEU 231 Ca 0.03 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3jxw h LEU 231 Cb 0.74 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3jxw h LEU 231 CO 0.05 0.62 -0.20 0.25 -0.34 0.00 0.00 178.44 178.82 3jxw h LEU 232 N 0.74 0.47 -0.40 2.25 5.85 -0.45 -1.12 115.31 122.65 3jxw h LEU 232 Ca 0.19 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3jxw h LEU 232 Cb 0.09 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3jxw h LEU 232 CO -0.03 0.69 0.01 0.22 -0.34 0.00 0.00 178.44 178.99 3jxw h TYR 233 N 0.43 0.75 0.10 1.25 5.03 -0.26 -1.95 116.97 122.33 3jxw h TYR 233 Ca 0.07 -0.13 0.01 0.00 2.58 0.00 0.00 58.73 61.26 3jxw h TYR 233 Cb 0.60 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.64 3jxw h TYR 233 CO 0.02 0.77 -0.42 0.22 -1.32 0.00 0.00 178.16 177.43 3jxw h ASP 234 N 0.52 -1.26 -0.92 -2.11 3.58 -0.19 0.18 116.42 116.21 3jxw h ASP 234 Ca 0.11 0.13 0.15 0.00 0.42 0.00 0.00 57.03 57.85 3jxw h ASP 234 Cb 0.46 0.47 -0.16 0.00 1.72 0.00 0.00 39.33 41.82 3jxw h ASP 234 CO 0.02 -0.44 -0.35 0.24 -2.88 0.00 0.00 179.24 175.82 3jxw h MET 235 N -0.60 -0.03 -0.00 0.28 2.86 -1.22 0.20 114.93 116.42 3jxw h MET 235 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3jxw h MET 235 Cb 0.60 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3jxw h MET 235 CO -0.23 -0.02 -0.39 1.33 1.06 0.00 0.00 176.91 178.67 3jxw n VAL 236 N -5.49 0.00 0.15 -2.22 0.24 -0.73 -1.34 118.33 108.93 3jxw n VAL 236 Ca 0.10 -0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.42 3jxw n VAL 236 Cb 0.41 0.10 0.02 0.00 -1.47 0.00 0.00 33.84 32.90 3jxw n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3jxw n GLY 238 N 0.20 1.49 3.63 0.00 0.00 0.64 -4.60 105.19 106.54 3jxw n GLY 238 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 3jxw n GLY 238 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jxw s ASP 239 N -3.25 -0.23 0.45 1.61 -1.08 -0.96 -4.79 116.67 108.43 3jxw s ASP 239 Ca 0.00 -0.18 -0.14 0.00 -0.52 0.00 0.00 52.55 51.71 3jxw s ASP 239 Cb 0.00 0.37 -0.07 0.00 -1.46 0.00 0.00 42.92 41.76 3jxw s ASP 239 CO 0.00 -0.65 0.87 0.27 0.52 0.00 0.00 175.17 176.18 3jxw s ILE 240 N -3.02 4.65 0.12 4.11 -4.36 -1.26 -3.50 121.20 117.95 3jxw s ILE 240 Ca 0.10 0.94 -0.11 0.00 -0.26 0.00 0.00 60.65 61.32 3jxw s ILE 240 Cb -0.00 -3.71 -0.12 0.00 1.25 0.00 0.00 42.46 39.87 3jxw s ILE 240 CO -0.03 -0.57 1.37 1.55 0.24 0.00 0.00 174.94 177.50 3jxw h PRO 241 N 1.20 0.78 -6.26 0.37 0.13 -1.92 -3.45 132.00 122.85 3jxw h PRO 241 Ca -0.47 -0.57 -0.66 0.00 -0.87 0.00 0.00 66.00 63.42 3jxw h PRO 241 Cb 1.18 0.10 -0.30 0.00 0.13 0.00 0.00 31.00 32.11 3jxw h PRO 241 CO 0.63 1.19 -0.88 -0.06 -0.23 0.00 0.00 178.00 178.65 3jxw s PHE 242 N -3.90 2.19 -0.16 1.56 0.08 -1.26 -4.91 117.98 111.58 3jxw s PHE 242 Ca -0.10 -0.47 0.05 0.00 0.12 0.00 0.00 56.93 56.53 3jxw s PHE 242 Cb 0.09 -1.42 -0.13 0.00 -0.57 0.00 0.00 43.02 41.00 3jxw s PHE 242 CO 0.89 -0.08 -0.08 0.39 -0.10 0.00 0.00 175.22 176.25 3jxw n GLU 243 N 2.61 0.95 -4.36 0.44 -0.58 -1.26 -4.91 120.64 113.54 3jxw n GLU 243 Ca -0.16 0.06 -0.23 0.00 -0.42 0.00 0.00 57.16 56.40 3jxw n GLU 243 Cb 0.52 -1.35 -0.08 0.00 -0.57 0.00 0.00 31.44 29.96 3jxw n GLU 243 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3jxw s HIS 244 N -2.34 2.54 0.41 -0.32 3.76 -1.26 -4.88 115.29 113.20 3jxw s HIS 244 Ca -0.17 -0.26 0.20 0.00 -0.15 0.00 0.00 55.06 54.68 3jxw s HIS 244 Cb 0.05 -1.12 1.14 0.00 1.11 0.00 0.00 32.58 33.76 3jxw s HIS 244 CO 0.46 0.65 1.77 -0.44 -0.85 0.00 0.00 174.74 176.34 3jxw h ASP 245 N 2.06 0.41 0.71 1.40 5.19 -1.99 -1.65 116.42 122.54 3jxw h ASP 245 Ca -0.43 0.08 -0.21 0.00 -0.62 0.00 0.00 57.03 55.85 3jxw h ASP 245 Cb 1.25 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 3jxw h ASP 245 CO 0.60 0.08 -0.98 -0.33 -3.12 0.00 0.00 179.24 175.49 3jxw h GLU 246 N 0.36 0.15 -0.43 3.56 3.07 -1.98 -0.89 114.58 118.41 3jxw h GLU 246 Ca 0.59 -0.20 -0.12 0.00 -0.50 0.00 0.00 59.36 59.13 3jxw h GLU 246 Cb 1.56 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.52 3jxw h GLU 246 CO -0.28 1.01 -0.19 0.93 -1.40 0.00 0.00 179.01 179.08 3jxw h GLU 247 N 0.07 0.89 0.54 2.33 5.08 -1.73 0.90 114.58 122.66 3jxw h GLU 247 Ca -0.05 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3jxw h GLU 247 Cb 1.66 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 3jxw h GLU 247 CO 0.15 1.03 -0.41 0.82 -1.00 0.00 0.00 179.01 179.60 3jxw h ILE 248 N 0.72 0.18 -0.70 3.13 2.04 -1.23 0.82 117.51 122.46 3jxw h ILE 248 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 3jxw h ILE 248 Cb 0.75 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3jxw h ILE 248 CO 0.06 0.00 0.46 0.40 0.00 0.00 0.00 178.15 179.07 3jxw h ILE 249 N -0.92 1.10 -0.44 -0.67 2.04 -1.08 -2.05 117.51 115.49 3jxw h ILE 249 Ca -0.06 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.37 3jxw h ILE 249 Cb 0.78 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3jxw h ILE 249 CO 0.01 0.15 -0.28 -0.09 0.00 0.00 0.00 178.15 177.95 3jxw h ARG 250 N 0.84 0.96 -2.44 2.37 2.43 -0.67 -3.47 114.38 114.40 3jxw h ARG 250 Ca 0.28 -0.44 -0.38 0.00 -0.81 0.00 0.00 59.98 58.63 3jxw h ARG 250 Cb 0.07 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3jxw h ARG 250 CO -0.08 1.11 -0.47 0.41 -1.51 0.00 0.00 179.97 179.43 3jxw n GLY 251 N -0.04 -0.05 3.75 2.80 0.00 0.27 -4.99 105.19 106.93 3jxw n GLY 251 Ca -0.01 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3jxw n GLY 251 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jxw s GLN 252 N -4.74 4.14 -0.37 1.61 2.00 -1.26 -4.93 119.66 116.12 3jxw s GLN 252 Ca 0.00 0.02 -0.07 0.00 -2.00 0.00 0.00 55.36 53.31 3jxw s GLN 252 Cb 0.00 -3.39 0.05 0.00 0.80 0.00 0.00 33.01 30.47 3jxw s GLN 252 CO 0.00 0.33 0.16 0.08 -0.50 0.00 0.00 175.29 175.36 3jxw s VAL 253 N 0.21 3.91 -0.11 1.34 1.01 -1.26 -5.03 120.40 120.47 3jxw s VAL 253 Ca 0.15 -1.25 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 3jxw s VAL 253 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3jxw s VAL 253 CO 0.03 -0.31 0.46 0.12 0.00 0.00 0.00 175.10 175.40 3jxw s PHE 254 N 1.40 3.53 -0.21 5.22 5.36 -1.26 -5.06 117.98 126.95 3jxw s PHE 254 Ca 0.00 0.88 -0.19 0.00 -0.96 0.00 0.00 56.93 56.67 3jxw s PHE 254 Cb -0.21 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 39.93 3jxw s PHE 254 CO 0.02 0.21 0.53 -0.06 -1.46 0.00 0.00 175.22 174.46 3jxw s PHE 255 N 0.47 3.35 -0.71 10.12 0.08 -1.26 -4.97 117.98 125.06 3jxw s PHE 255 Ca 0.25 0.76 0.22 0.00 0.12 0.00 0.00 56.93 58.28 3jxw s PHE 255 Cb -0.15 -2.69 -0.18 0.00 -0.57 0.00 0.00 43.02 39.43 3jxw s PHE 255 CO 0.10 -0.14 0.84 2.89 -0.10 0.00 0.00 175.22 178.81 3jxw n ARG 256 N 4.96 0.20 -4.36 0.44 1.85 -1.26 -4.95 116.66 113.54 3jxw n ARG 256 Ca -0.04 -0.05 -0.19 0.00 -1.00 0.00 0.00 57.85 56.57 3jxw n ARG 256 Cb 0.50 -1.52 -0.10 0.00 -1.05 0.00 0.00 32.46 30.29 3jxw n ARG 256 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3jxw s GLN 257 N -3.15 1.36 0.03 2.89 -1.52 -1.26 -5.10 119.66 112.90 3jxw s GLN 257 Ca 0.04 -1.63 -0.30 0.00 -1.95 0.00 0.00 55.36 51.52 3jxw s GLN 257 Cb 0.15 -1.08 -0.08 0.00 -0.22 0.00 0.00 33.01 31.78 3jxw s GLN 257 CO 0.86 0.13 1.91 0.50 -0.25 0.00 0.00 175.29 178.45 3jxw s ARG 258 N -3.68 4.15 -0.01 2.91 3.00 -1.26 -4.96 118.95 119.10 3jxw s ARG 258 Ca 0.24 2.55 -0.00 0.00 -1.00 0.00 0.00 55.73 57.52 3jxw s ARG 258 Cb 0.01 -4.10 0.01 0.00 0.00 0.00 0.00 34.95 30.87 3jxw s ARG 258 CO 0.08 -0.93 0.01 0.08 0.00 0.00 0.00 175.30 174.54 3jxw s VAL 259 N 4.30 -0.02 0.72 7.11 1.01 -1.26 -5.05 120.40 127.21 3jxw s VAL 259 Ca 0.86 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 3jxw s VAL 259 Cb -0.41 -0.04 0.03 0.00 0.00 0.00 0.00 36.38 35.96 3jxw s VAL 259 CO 0.39 0.04 1.21 -0.94 0.00 0.00 0.00 175.10 175.80 3jxw s SER 260 N 0.42 4.24 0.43 3.32 1.04 -1.26 -4.76 113.70 117.14 3jxw s SER 260 Ca -0.04 2.37 0.13 0.00 0.48 0.00 0.00 55.95 58.90 3jxw s SER 260 Cb -0.05 -2.59 1.02 0.00 0.10 0.00 0.00 66.02 64.50 3jxw s SER 260 CO -0.01 -2.23 1.99 0.28 0.98 0.00 0.00 173.24 174.25 3jxw h SER 261 N -0.22 0.37 0.17 7.02 0.02 -2.00 -2.17 113.55 116.73 3jxw h SER 261 Ca -0.48 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.29 3jxw h SER 261 Cb 1.30 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 3jxw h SER 261 CO 0.50 0.23 -0.72 -0.33 -1.14 0.00 0.00 176.83 175.36 3jxw h GLU 262 N 0.41 0.49 -0.13 3.45 5.08 -1.99 -0.41 114.58 121.48 3jxw h GLU 262 Ca 0.26 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3jxw h GLU 262 Cb 0.48 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3jxw h GLU 262 CO -0.07 1.02 0.02 0.00 -1.00 0.00 0.00 179.01 178.98 3jxw h GLN 264 N -0.01 0.75 0.02 0.00 4.20 -1.30 -0.02 115.11 118.75 3jxw h GLN 264 Ca 0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3jxw h GLN 264 Cb 0.28 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3jxw h GLN 264 CO 0.00 0.50 -0.01 1.25 -0.67 0.00 0.00 178.83 179.90 3jxw h HIS 265 N 0.77 -0.03 -0.28 2.96 2.76 -0.46 -2.00 115.15 118.88 3jxw h HIS 265 Ca 0.50 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.68 3jxw h HIS 265 Cb 0.75 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 3jxw h HIS 265 CO -0.00 0.14 0.18 1.25 -1.30 0.00 0.00 177.93 178.19 3jxw h LEU 266 N -0.19 0.30 -0.67 0.26 5.85 -0.90 -0.07 115.31 119.89 3jxw h LEU 266 Ca -0.00 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3jxw h LEU 266 Cb 0.18 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3jxw h LEU 266 CO 0.00 0.22 0.40 0.40 -0.34 0.00 0.00 178.44 179.13 3jxw h ILE 267 N 0.36 1.06 -0.02 4.05 2.04 -0.96 -0.50 117.51 123.53 3jxw h ILE 267 Ca 0.11 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.53 3jxw h ILE 267 Cb -0.03 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3jxw h ILE 267 CO -0.04 0.14 -0.72 0.03 0.00 0.00 0.00 178.15 177.56 3jxw h ARG 268 N 0.78 0.15 0.10 2.37 3.08 -0.79 -1.35 114.38 118.72 3jxw h ARG 268 Ca 0.27 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3jxw h ARG 268 Cb 0.06 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3jxw h ARG 268 CO -0.12 0.81 -0.05 2.35 -1.07 0.00 0.00 179.97 181.89 3jxw h TRP 269 N 0.10 -0.12 -0.03 3.04 7.01 -0.50 -1.35 115.95 124.10 3jxw h TRP 269 Ca -0.02 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 60.99 3jxw h TRP 269 Cb 1.28 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 28.38 3jxw h TRP 269 CO 0.02 -0.07 0.02 0.00 -2.79 0.00 0.00 178.44 175.62 3jxw n LEU 271 N -4.27 5.37 -4.55 0.00 4.77 -0.53 -3.70 117.00 114.08 3jxw n LEU 271 Ca -0.02 -3.08 -0.50 0.00 -0.03 0.00 0.00 56.01 52.38 3jxw n LEU 271 Cb 0.12 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.49 3jxw n LEU 271 CO 0.32 0.72 0.64 0.00 -1.33 0.00 0.00 177.39 177.73 3jxw n ALA 272 N 0.07 -1.34 -0.11 -1.18 0.00 -0.55 -4.93 120.51 112.46 3jxw n ALA 272 Ca 0.30 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 54.12 3jxw n ALA 272 Cb 1.18 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 3jxw n ALA 272 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3jxw h LEU 273 N 3.15 0.55 -9.29 0.00 3.38 -1.91 -3.42 115.31 107.78 3jxw h LEU 273 Ca -0.43 -0.28 -0.55 0.00 0.09 0.00 0.00 57.88 56.71 3jxw h LEU 273 Cb 1.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3jxw h LEU 273 CO 0.68 0.70 0.64 -0.13 0.09 0.00 0.00 178.44 180.42 3jxw s ARG 274 N -5.10 4.38 0.28 1.13 0.52 -1.26 -4.78 118.95 114.12 3jxw s ARG 274 Ca -0.13 1.55 0.02 0.00 -0.52 0.00 0.00 55.73 56.65 3jxw s ARG 274 Cb 0.09 -3.55 0.64 0.00 0.52 0.00 0.00 34.95 32.65 3jxw s ARG 274 CO 0.77 -0.39 1.76 -1.35 0.02 0.00 0.00 175.30 176.11 3jxw h PRO 275 N 7.29 0.63 0.00 3.54 0.11 -1.96 -0.55 132.00 141.07 3jxw h PRO 275 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3jxw h PRO 275 Cb 1.15 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3jxw h PRO 275 CO 0.87 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.74 3jxw h SER 276 N 0.65 0.00 0.00 -2.05 4.64 -1.94 -0.77 113.55 114.08 3jxw h SER 276 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3jxw h SER 276 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3jxw h SER 276 CO -0.39 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.04 3jxw n ASP 277 N -2.54 0.00 -4.89 4.97 8.00 -0.21 -4.87 116.55 117.01 3jxw n ASP 277 Ca 0.03 -0.86 -0.30 0.00 0.71 0.00 0.00 54.79 54.36 3jxw n ASP 277 Cb 0.33 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 3jxw n ASP 277 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3jxw s ARG 278 N -2.00 3.74 0.64 -1.24 0.52 -0.30 -4.82 118.95 115.50 3jxw s ARG 278 Ca 0.31 0.22 -0.14 0.00 -0.52 0.00 0.00 55.73 55.60 3jxw s ARG 278 Cb 0.14 -2.59 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 3jxw s ARG 278 CO 0.24 0.20 1.06 -1.25 0.02 0.00 0.00 175.30 175.58 3jxw s PRO 279 N -3.31 3.09 0.65 3.54 0.04 -1.26 -5.06 135.00 132.69 3jxw s PRO 279 Ca 0.47 1.14 -0.08 0.00 0.04 0.00 0.00 61.00 62.56 3jxw s PRO 279 Cb -0.11 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3jxw s PRO 279 CO 0.26 -0.99 1.00 0.95 0.04 0.00 0.00 177.00 178.26 3jxw s THR 280 N -2.66 3.44 0.22 1.26 -4.23 -1.26 -4.89 115.64 107.52 3jxw s THR 280 Ca 0.62 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.23 3jxw s THR 280 Cb -0.16 -3.42 0.16 0.00 1.34 0.00 0.00 72.50 70.42 3jxw s THR 280 CO 0.44 -0.49 1.75 -0.26 -0.54 0.00 0.00 174.62 175.53 3jxw h PHE 281 N -0.43 0.47 -0.89 3.99 0.04 -1.97 0.44 116.94 118.59 3jxw h PHE 281 Ca -0.45 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3jxw h PHE 281 Cb 1.26 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 39.26 3jxw h PHE 281 CO 0.47 0.13 0.56 1.49 -0.60 0.00 0.00 178.31 180.36 3jxw h GLU 282 N 0.46 1.19 -0.01 1.51 4.81 -1.97 0.89 114.58 121.46 3jxw h GLU 282 Ca 0.33 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3jxw h GLU 282 Cb 0.41 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3jxw h GLU 282 CO -0.31 0.81 -0.47 0.93 -0.73 0.00 0.00 179.01 179.25 3jxw h GLU 283 N 1.21 0.01 -0.01 1.92 5.08 -1.66 -0.92 114.58 120.22 3jxw h GLU 283 Ca 0.32 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 3jxw h GLU 283 Cb -0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3jxw h GLU 283 CO -0.06 0.48 -0.02 0.82 -1.00 0.00 0.00 179.01 179.22 3jxw h ILE 284 N 0.01 1.42 0.00 3.13 2.04 0.38 -2.25 117.51 122.24 3jxw h ILE 284 Ca -0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3jxw h ILE 284 Cb 0.83 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3jxw h ILE 284 CO 0.06 0.34 0.00 0.00 0.00 0.00 0.00 178.15 178.55 3jxw n GLN 285 N -4.80 0.18 0.00 2.37 6.02 0.18 -1.83 117.38 119.49 3jxw n GLN 285 Ca -0.08 0.44 0.11 0.00 -0.01 0.00 0.00 57.00 57.46 3jxw n GLN 285 Cb 0.28 -1.86 0.06 0.00 1.02 0.00 0.00 30.24 29.75 3jxw n GLN 285 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3jxw n ASN 286 N -2.19 1.96 -4.63 1.08 3.02 -0.36 -4.83 115.26 109.31 3jxw n ASN 286 Ca 0.02 -1.47 -0.44 0.00 -0.03 0.00 0.00 54.58 52.65 3jxw n ASN 286 Cb 0.20 0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 3jxw n ASN 286 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3jxw n HIS 287 N 0.00 1.68 -0.20 3.10 -0.00 -0.76 -4.86 115.22 114.18 3jxw n HIS 287 Ca 0.10 0.62 0.24 0.00 0.46 0.00 0.00 57.72 59.14 3jxw n HIS 287 Cb 0.46 -2.33 0.63 0.00 -0.12 0.00 0.00 29.99 28.63 3jxw n HIS 287 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3jxw h PRO 288 N 2.62 0.18 0.00 1.57 0.11 -1.92 0.11 132.00 134.67 3jxw h PRO 288 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3jxw h PRO 288 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3jxw h PRO 288 CO 0.64 0.12 0.00 2.35 -0.21 0.00 0.00 178.00 180.90 3jxw h TRP 289 N 0.18 0.00 -0.17 0.65 7.01 -1.89 -3.02 115.95 118.72 3jxw h TRP 289 Ca 0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.44 3jxw h TRP 289 Cb 1.45 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.51 3jxw h TRP 289 CO -0.00 0.00 0.00 -1.33 -2.79 0.00 0.00 178.44 174.32 3jxw n MET 290 N -2.61 1.77 -2.62 2.65 2.81 0.02 -4.97 117.12 114.19 3jxw n MET 290 Ca 0.02 -1.16 -0.35 0.00 -1.81 0.00 0.00 57.70 54.41 3jxw n MET 290 Cb 0.32 -1.40 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 3jxw n MET 290 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3jxw s GLN 291 N -1.78 4.04 -1.20 0.03 -1.52 -1.14 -4.33 119.66 113.75 3jxw s GLN 291 Ca 0.33 1.35 -0.05 0.00 -1.95 0.00 0.00 55.36 55.04 3jxw s GLN 291 Cb 0.18 -2.28 0.01 0.00 -0.22 0.00 0.00 33.01 30.69 3jxw s GLN 291 CO 0.27 -0.22 1.03 -0.25 -0.25 0.00 0.00 175.29 175.86 3jxw n ASP 292 N -0.56 -4.43 -4.76 5.90 8.00 -1.26 -4.94 116.55 114.50 3jxw n ASP 292 Ca 0.07 -0.53 -0.38 0.00 0.71 0.00 0.00 54.79 54.67 3jxw n ASP 292 Cb 0.52 -4.73 0.01 0.00 -0.02 0.00 0.00 41.12 36.89 3jxw n ASP 292 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jxw s VAL 293 N -3.31 2.75 0.58 2.53 0.11 -1.26 -5.02 120.40 116.78 3jxw s VAL 293 Ca 0.32 0.57 -0.16 0.00 -2.93 0.00 0.00 61.98 59.78 3jxw s VAL 293 Cb -0.14 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.37 3jxw s VAL 293 CO 0.67 -0.00 1.05 -0.76 -3.33 0.00 0.00 175.10 172.73 3jxw s LEU 294 N -3.15 3.54 0.66 2.54 1.43 -1.26 -5.06 118.68 117.38 3jxw s LEU 294 Ca 0.66 1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 55.44 3jxw s LEU 294 Cb -0.33 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.35 3jxw s LEU 294 CO 0.40 -1.09 1.06 -0.76 0.23 0.00 0.00 176.35 176.18 3jxw s LEU 295 N -4.37 3.27 0.23 1.79 1.43 -1.26 -4.87 118.68 114.90 3jxw s LEU 295 Ca 0.64 1.70 -0.06 0.00 -1.03 0.00 0.00 54.13 55.37 3jxw s LEU 295 Cb -0.16 -4.51 0.34 0.00 0.03 0.00 0.00 46.19 41.89 3jxw s LEU 295 CO 0.35 -1.35 1.80 -0.65 0.23 0.00 0.00 176.35 176.73 3jxw h PRO 296 N -0.27 0.70 0.57 1.29 0.11 -1.84 -0.91 132.00 131.65 3jxw h PRO 296 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3jxw h PRO 296 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3jxw h PRO 296 CO 0.57 0.47 -0.31 0.37 -0.21 0.00 0.00 178.00 178.88 3jxw h GLN 297 N 0.73 -0.79 -0.99 1.05 5.75 -1.84 -1.98 115.11 117.04 3jxw h GLN 297 Ca 0.36 0.05 0.24 0.00 -0.15 0.00 0.00 58.65 59.15 3jxw h GLN 297 Cb 0.31 0.18 -0.08 0.00 1.07 0.00 0.00 27.48 28.96 3jxw h GLN 297 CO -0.23 -0.53 0.65 0.93 -2.65 0.00 0.00 178.83 177.00 3jxw h GLU 298 N -0.82 0.38 -0.57 1.69 5.08 -1.87 -1.24 114.58 117.24 3jxw h GLU 298 Ca -0.07 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 3jxw h GLU 298 Cb 0.65 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3jxw h GLU 298 CO 0.10 0.25 0.07 1.15 -1.00 0.00 0.00 179.01 179.58 3jxw h THR 299 N 0.40 1.26 -0.13 1.13 2.02 -0.53 -1.98 112.91 115.07 3jxw h THR 299 Ca 0.54 -1.02 -0.22 0.00 0.77 0.00 0.00 66.41 66.48 3jxw h THR 299 Cb 1.38 0.81 0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3jxw h THR 299 CO -0.23 0.37 -0.80 0.00 0.37 0.00 0.00 175.52 175.22 3jxw h ALA 300 N 0.99 0.32 -0.24 6.16 0.00 -0.55 -1.17 119.26 124.77 3jxw h ALA 300 Ca 0.17 -0.61 0.05 0.00 0.00 0.00 0.00 54.91 54.52 3jxw h ALA 300 Cb 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3jxw h ALA 300 CO 0.02 0.69 -0.08 0.93 0.00 0.00 0.00 179.25 180.81 3jxw h GLU 301 N 0.50 -0.03 0.08 0.00 5.08 -1.24 0.75 114.58 119.72 3jxw h GLU 301 Ca -0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 3jxw h GLU 301 Cb 1.43 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 3jxw h GLU 301 CO 0.16 -0.02 -1.21 0.82 -1.00 0.00 0.00 179.01 177.76 3jxw h ILE 302 N -0.03 1.51 0.00 3.13 2.04 -1.41 -3.37 117.51 119.38 3jxw h ILE 302 Ca 0.12 -3.15 0.00 0.00 1.00 0.00 0.00 64.86 62.83 3jxw h ILE 302 Cb 0.21 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3jxw h ILE 302 CO -0.26 0.90 -0.73 1.41 0.00 0.00 0.00 178.15 179.47 3jxw n HIS 303 N -3.45 0.00 0.01 1.37 8.25 -0.44 -4.67 115.22 116.29 3jxw n HIS 303 Ca -0.07 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.45 3jxw n HIS 303 Cb 1.00 0.00 0.13 0.00 1.12 0.00 0.00 29.99 32.24 3jxw n HIS 303 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3jxw n LEU 304 N -1.17 2.70 -2.86 2.41 4.32 0.18 -4.98 117.00 117.60 3jxw n LEU 304 Ca 0.00 -1.71 -0.22 0.00 -0.02 0.00 0.00 56.01 54.06 3jxw n LEU 304 Cb 0.00 -0.18 0.02 0.00 -1.62 0.00 0.00 43.42 41.65 3jxw n LEU 304 CO 0.00 0.64 -0.07 0.00 -1.22 0.00 0.00 177.39 176.73 3jxw n HIS 305 N 0.61 -1.72 0.00 -1.77 1.44 -0.72 -4.97 115.22 108.09 3jxw n HIS 305 Ca 0.11 0.38 0.00 0.00 -2.01 0.00 0.00 57.72 56.20 3jxw n HIS 305 Cb 0.40 -4.36 0.00 0.00 0.12 0.00 0.00 29.99 26.15 3jxw n HIS 305 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96