#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjw h LEU 2 N 0.00 -0.03 -0.98 -0.89 3.38 -1.97 0.34 115.31 115.16 1gjw h LEU 2 Ca 0.00 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1gjw h LEU 2 Cb 0.00 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1gjw h LEU 2 CO 0.00 -0.19 0.43 0.25 0.09 0.00 0.00 178.44 179.01 1gjw h LEU 3 N 0.17 1.04 -0.19 1.67 5.85 -1.91 0.19 115.31 122.13 1gjw h LEU 3 Ca 0.58 -0.10 -0.22 0.00 0.84 0.00 0.00 57.88 58.97 1gjw h LEU 3 Cb 1.20 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1gjw h LEU 3 CO -0.69 0.85 -0.81 -0.09 -0.34 0.00 0.00 178.44 177.36 1gjw h ARG 4 N 1.15 0.69 -0.77 1.25 2.43 -1.00 -2.06 114.38 116.09 1gjw h ARG 4 Ca 0.29 -0.59 0.06 0.00 -0.81 0.00 0.00 59.98 58.93 1gjw h ARG 4 Cb 0.06 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 1gjw h ARG 4 CO -0.04 1.20 0.45 0.93 -1.51 0.00 0.00 179.97 181.00 1gjw h GLU 5 N 0.46 0.79 -0.37 0.20 5.08 0.22 0.16 114.58 121.13 1gjw h GLU 5 Ca -0.06 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1gjw h GLU 5 Cb 1.43 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1gjw h GLU 5 CO 0.16 0.52 -0.16 0.82 -1.00 0.00 0.00 179.01 179.35 1gjw h ILE 6 N 0.81 1.26 -0.29 3.13 2.04 -0.51 -1.53 117.51 122.43 1gjw h ILE 6 Ca 0.34 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1gjw h ILE 6 Cb 0.20 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1gjw h ILE 6 CO -0.19 0.40 0.09 -1.13 0.00 0.00 0.00 178.15 177.32 1gjw h ASN 7 N 0.61 0.42 -0.12 1.72 -0.73 -0.59 -1.57 115.58 115.31 1gjw h ASN 7 Ca 0.10 -0.20 0.04 0.00 1.87 0.00 0.00 56.30 58.10 1gjw h ASN 7 Cb 0.62 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.07 1gjw h ASN 7 CO 0.04 0.51 -0.10 -0.09 -0.37 0.00 0.00 177.43 177.42 1gjw h ARG 8 N 0.30 -0.11 -0.74 6.67 2.43 -0.42 -2.35 114.38 120.16 1gjw h ARG 8 Ca 0.09 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1gjw h ARG 8 Cb 0.24 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 1gjw h ARG 8 CO -0.00 -0.08 0.41 -0.92 -1.51 0.00 0.00 179.97 177.87 1gjw h TYR 9 N -0.12 0.75 -0.85 2.20 5.03 -1.11 -1.93 116.97 120.94 1gjw h TYR 9 Ca 0.08 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 1gjw h TYR 9 Cb 0.24 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.25 1gjw h TYR 9 CO -0.22 0.33 0.43 0.00 -1.32 0.00 0.00 178.16 177.37 1gjw h LYS 11 N 1.21 0.45 -0.22 0.00 1.57 -0.92 0.55 116.57 119.21 1gjw h LYS 11 Ca 0.30 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1gjw h LYS 11 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1gjw h LYS 11 CO -0.04 0.63 0.00 0.93 -0.57 0.00 0.00 179.45 180.40 1gjw h GLU 12 N 0.41 0.39 0.00 3.15 5.08 -0.59 -3.18 114.58 119.84 1gjw h GLU 12 Ca 0.07 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1gjw h GLU 12 Cb 0.57 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1gjw h GLU 12 CO 0.04 0.58 -0.10 0.87 -1.00 0.00 0.00 179.01 179.40 1gjw h LYS 13 N 0.16 0.00 -6.12 2.33 1.79 -0.89 -3.47 116.57 110.37 1gjw h LYS 13 Ca 0.06 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.87 1gjw h LYS 13 Cb 0.40 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.15 1gjw h LYS 13 CO 0.01 0.10 -0.28 0.00 -1.08 0.00 0.00 179.45 178.20 1gjw n ALA 14 N -2.13 -2.24 -0.08 3.86 0.00 0.17 -4.85 120.51 115.24 1gjw n ALA 14 Ca 0.03 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1gjw n ALA 14 Cb 0.51 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1gjw n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gjw n THR 15 N 0.30 0.00 -0.82 0.00 -2.24 -1.26 -5.03 114.28 105.22 1gjw n THR 15 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1gjw n THR 15 Cb 0.25 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1gjw n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gjw n GLY 16 N 0.00 0.87 3.58 3.38 0.00 -1.26 -5.01 105.19 106.75 1gjw n GLY 16 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1gjw n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gjw s LYS 17 N -0.18 3.65 -1.14 1.61 2.20 -1.26 -4.86 119.74 119.77 1gjw s LYS 17 Ca 0.00 0.37 -0.15 0.00 -0.36 0.00 0.00 55.97 55.83 1gjw s LYS 17 Cb 0.00 -3.89 0.17 0.00 -1.51 0.00 0.00 37.83 32.59 1gjw s LYS 17 CO 0.00 -1.21 1.35 1.03 -0.36 0.00 0.00 175.35 176.16 1gjw s ARG 18 N 3.89 3.99 0.00 4.03 0.52 -1.26 -3.74 118.95 126.37 1gjw s ARG 18 Ca 0.40 -2.44 0.00 0.00 -0.52 0.00 0.00 55.73 53.18 1gjw s ARG 18 Cb -0.10 -5.00 0.00 0.00 0.52 0.00 0.00 34.95 30.37 1gjw s ARG 18 CO 0.26 -1.74 0.64 0.44 0.02 0.00 0.00 175.30 174.93 1gjw n ILE 19 N 4.71 0.41 -3.60 1.52 -5.35 -1.08 -4.51 119.36 111.46 1gjw n ILE 19 Ca 0.33 -0.56 -0.40 0.00 -0.27 0.00 0.00 62.75 61.85 1gjw n ILE 19 Cb 0.44 0.92 -0.11 0.00 -1.74 0.00 0.00 39.64 39.15 1gjw n ILE 19 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1gjw s TYR 20 N -0.41 3.21 0.10 4.28 5.04 -0.67 -4.73 117.35 124.17 1gjw s TYR 20 Ca 0.00 -0.63 -0.25 0.00 -2.44 0.00 0.00 57.07 53.75 1gjw s TYR 20 Cb 0.00 -2.42 -0.07 0.00 0.35 0.00 0.00 41.96 39.82 1gjw s TYR 20 CO 0.00 -0.51 0.77 0.00 -1.34 0.00 0.00 175.55 174.47 1gjw s ALA 21 N 1.62 3.41 0.01 3.97 0.00 -0.19 -0.95 121.76 129.63 1gjw s ALA 21 Ca 0.04 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1gjw s ALA 21 Cb -0.18 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1gjw s ALA 21 CO 0.07 0.18 0.02 0.14 0.00 0.00 0.00 175.76 176.18 1gjw s VAL 22 N -0.59 0.09 0.43 0.00 -7.23 -0.54 -4.24 120.40 108.32 1gjw s VAL 22 Ca 0.37 -0.76 -0.24 0.00 -1.81 0.00 0.00 61.98 59.54 1gjw s VAL 22 Cb -0.22 -0.29 -0.08 0.00 0.56 0.00 0.00 36.38 36.35 1gjw s VAL 22 CO 0.24 -0.42 1.12 -2.16 -0.31 0.00 0.00 175.10 173.58 1gjw s PRO 23 N -1.29 3.95 0.47 4.82 0.04 -1.26 -2.13 135.00 139.61 1gjw s PRO 23 Ca -0.14 1.69 0.26 0.00 0.04 0.00 0.00 61.00 62.85 1gjw s PRO 23 Cb -0.08 -2.50 1.31 0.00 0.04 0.00 0.00 34.50 33.27 1gjw s PRO 23 CO -0.00 -0.36 1.82 -0.22 0.04 0.00 0.00 177.00 178.27 1gjw h LYS 24 N 2.30 0.19 0.00 4.56 3.64 -1.88 0.20 116.57 125.59 1gjw h LYS 24 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1gjw h LYS 24 Cb 1.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1gjw h LYS 24 CO 0.61 0.13 0.00 -0.07 -2.27 0.00 0.00 179.45 177.85 1gjw h LEU 25 N 0.20 0.00 0.00 5.20 3.38 -1.91 -1.76 115.31 120.42 1gjw h LEU 25 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1gjw h LEU 25 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1gjw h LEU 25 CO -0.14 0.00 -0.35 -0.50 0.09 0.00 0.00 178.44 177.54 1gjw h TRP 26 N 0.00 0.00 -3.12 1.13 4.06 -0.95 -3.45 115.95 113.62 1gjw h TRP 26 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 1gjw h TRP 26 Cb 0.15 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.25 1gjw h TRP 26 CO 0.00 0.00 0.79 0.42 -3.56 0.00 0.00 178.44 176.09 1gjw s ILE 27 N -3.18 4.66 0.70 1.49 -1.09 -0.66 -4.92 121.20 118.19 1gjw s ILE 27 Ca 0.07 1.97 -0.12 0.00 -2.23 0.00 0.00 60.65 60.34 1gjw s ILE 27 Cb 0.11 -4.32 0.01 0.00 -1.58 0.00 0.00 42.46 36.68 1gjw s ILE 27 CO 0.68 -0.22 1.08 -2.84 -1.23 0.00 0.00 174.94 172.41 1gjw s PRO 28 N 3.25 2.77 0.32 2.79 0.02 -1.26 -4.93 135.00 137.95 1gjw s PRO 28 Ca 0.44 1.12 0.07 0.00 0.02 0.00 0.00 61.00 62.64 1gjw s PRO 28 Cb -0.15 -1.96 0.74 0.00 0.02 0.00 0.00 34.50 33.15 1gjw s PRO 28 CO 0.07 -1.24 1.82 0.78 -0.33 0.00 0.00 177.00 178.10 1gjw h GLY 29 N -0.56 1.52 2.00 0.52 0.00 -1.98 -1.76 103.07 102.81 1gjw h GLY 29 Ca -0.45 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1gjw h GLY 29 CO 0.55 0.04 0.00 0.27 0.00 0.00 0.00 176.54 177.40 1gjw h PHE 30 N 0.78 0.00 -3.35 5.60 -5.15 -2.03 -3.44 116.94 109.35 1gjw h PHE 30 Ca 0.52 0.00 -0.57 0.00 -0.20 0.00 0.00 57.97 57.71 1gjw h PHE 30 Cb 0.77 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.88 1gjw h PHE 30 CO -0.00 0.00 0.23 0.12 -2.00 0.00 0.00 178.31 176.66 1gjw s PHE 31 N -3.50 3.48 0.00 6.09 5.36 -0.66 -4.92 117.98 123.82 1gjw s PHE 31 Ca 0.03 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1gjw s PHE 31 Cb 0.08 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.86 1gjw s PHE 31 CO 0.55 -0.10 0.00 1.63 -1.46 0.00 0.00 175.22 175.84 1gjw n LYS 32 N 4.62 4.30 -1.94 10.12 4.76 -1.26 -4.77 118.16 133.98 1gjw n LYS 32 Ca 0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 1gjw n LYS 32 Cb 0.50 -0.68 -0.00 0.00 -1.84 0.00 0.00 35.03 33.01 1gjw n LYS 32 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1gjw n LYS 33 N -1.17 2.92 -3.73 1.97 5.02 -1.26 -4.89 118.16 117.02 1gjw n LYS 33 Ca 0.00 -2.77 -0.11 0.00 -2.02 0.00 0.00 58.31 53.41 1gjw n LYS 33 Cb 0.00 -3.34 -0.07 0.00 -0.02 0.00 0.00 35.03 31.60 1gjw n LYS 33 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1gjw s PHE 34 N 3.51 -0.13 0.06 2.13 -0.12 -1.26 -4.66 117.98 117.52 1gjw s PHE 34 Ca 0.49 -0.04 0.03 0.00 -0.05 0.00 0.00 56.93 57.36 1gjw s PHE 34 Cb 0.11 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 1gjw s PHE 34 CO -0.04 -0.54 0.04 -0.51 -0.05 0.00 0.00 175.22 174.12 1gjw s ASP 35 N -2.20 5.34 -0.17 1.98 -0.00 -0.29 -4.92 116.67 116.41 1gjw s ASP 35 Ca -0.03 -0.04 0.01 0.00 -0.00 0.00 0.00 52.55 52.48 1gjw s ASP 35 Cb -0.00 -1.39 0.03 0.00 -0.00 0.00 0.00 42.92 41.56 1gjw s ASP 35 CO -0.05 0.20 -0.13 -0.70 -0.00 0.00 0.00 175.17 174.49 1gjw s GLU 36 N -2.19 2.24 -0.02 8.23 2.12 -1.26 -0.11 118.70 127.71 1gjw s GLU 36 Ca 0.26 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1gjw s GLU 36 Cb -0.12 -2.27 0.03 0.00 0.26 0.00 0.00 34.13 32.03 1gjw s GLU 36 CO 0.19 -0.31 0.02 0.15 -0.54 0.00 0.00 175.26 174.76 1gjw s LYS 37 N 1.43 0.07 -1.31 4.30 1.02 -0.34 -4.91 119.74 120.00 1gjw s LYS 37 Ca 0.02 0.13 -0.04 0.00 0.02 0.00 0.00 55.97 56.11 1gjw s LYS 37 Cb -0.14 -0.29 0.01 0.00 -0.52 0.00 0.00 37.83 36.89 1gjw s LYS 37 CO -0.10 -0.14 0.93 0.43 -0.92 0.00 0.00 175.35 175.55 1gjw n SER 38 N 4.04 -2.92 0.00 2.83 7.64 -1.26 -2.58 113.62 121.36 1gjw n SER 38 Ca -0.26 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 58.93 1gjw n SER 38 Cb 0.51 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 1gjw n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gjw n GLY 39 N -1.52 1.87 3.99 0.23 0.00 -1.26 -4.96 105.19 103.54 1gjw n GLY 39 Ca -0.19 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1gjw n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gjw s ARG 40 N 0.00 3.09 0.14 1.61 1.70 -1.07 -4.46 118.95 119.96 1gjw s ARG 40 Ca 0.00 -1.02 0.08 0.00 -0.47 0.00 0.00 55.73 54.32 1gjw s ARG 40 Cb 0.00 -2.81 -0.04 0.00 -0.57 0.00 0.00 34.95 31.53 1gjw s ARG 40 CO 0.00 0.03 -0.10 0.00 -1.08 0.00 0.00 175.30 174.14 1gjw s PHE 42 N -1.43 2.49 0.25 0.00 0.40 0.84 -1.47 117.98 119.07 1gjw s PHE 42 Ca 0.23 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1gjw s PHE 42 Cb -0.10 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 1gjw s PHE 42 CO 0.14 -0.12 0.18 0.14 0.70 0.00 0.00 175.22 176.26 1gjw s VAL 43 N -0.30 0.02 -0.41 -0.44 -7.23 -0.12 -1.14 120.40 110.77 1gjw s VAL 43 Ca 0.01 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 1gjw s VAL 43 Cb -0.13 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1gjw s VAL 43 CO 0.02 0.00 0.52 -0.62 -0.31 0.00 0.00 175.10 174.72 1gjw s ASP 44 N -3.24 6.26 0.46 4.85 3.68 -1.25 -1.68 116.67 125.76 1gjw s ASP 44 Ca 0.39 -0.44 0.26 0.00 2.13 0.00 0.00 52.55 54.89 1gjw s ASP 44 Cb 0.05 -2.26 1.30 0.00 -1.45 0.00 0.00 42.92 40.56 1gjw s ASP 44 CO 0.18 -0.63 1.80 1.55 0.13 0.00 0.00 175.17 178.19 1gjw h PRO 45 N 8.73 0.21 -0.09 4.34 0.13 -1.89 -0.99 132.00 142.45 1gjw h PRO 45 Ca -0.26 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 1gjw h PRO 45 Cb 1.11 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1gjw h PRO 45 CO 0.82 0.14 -0.58 1.88 -0.23 0.00 0.00 178.00 180.04 1gjw h TYR 46 N 0.22 0.37 -0.23 1.56 -1.99 -1.92 0.63 116.97 115.60 1gjw h TYR 46 Ca 0.56 -0.13 -0.17 0.00 2.00 0.00 0.00 58.73 60.99 1gjw h TYR 46 Cb 1.78 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 40.44 1gjw h TYR 46 CO -0.00 0.80 -0.53 0.93 -0.00 0.00 0.00 178.16 179.35 1gjw h GLU 47 N 0.22 0.77 -0.18 4.88 5.08 -1.46 0.16 114.58 124.05 1gjw h GLU 47 Ca -0.00 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1gjw h GLU 47 Cb 1.08 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1gjw h GLU 47 CO 0.09 1.14 0.06 1.25 -1.00 0.00 0.00 179.01 180.55 1gjw h LEU 48 N 0.50 0.27 -1.01 1.33 5.85 -1.33 -0.40 115.31 120.52 1gjw h LEU 48 Ca -0.00 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1gjw h LEU 48 Cb 1.14 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1gjw h LEU 48 CO 0.12 0.40 0.29 1.23 -0.34 0.00 0.00 178.44 180.14 1gjw h GLY 49 N 0.12 1.08 0.72 3.75 0.00 -0.85 -1.95 103.07 105.95 1gjw h GLY 49 Ca 0.06 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1gjw h GLY 49 CO -0.00 0.52 -0.02 0.00 0.00 0.00 0.00 176.54 177.04 1gjw h ALA 50 N 1.33 0.13 -0.34 3.60 0.00 -0.38 -1.66 119.26 121.95 1gjw h ALA 50 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1gjw h ALA 50 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1gjw h ALA 50 CO -0.02 -0.14 -0.19 0.93 0.00 0.00 0.00 179.25 179.82 1gjw h GLU 51 N -0.13 0.63 -0.09 0.00 5.08 -1.04 -0.17 114.58 118.86 1gjw h GLU 51 Ca 0.03 -0.23 -0.22 0.00 -1.00 0.00 0.00 59.36 57.94 1gjw h GLU 51 Cb 0.42 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1gjw h GLU 51 CO 0.01 0.79 -0.79 0.82 -1.00 0.00 0.00 179.01 178.84 1gjw h ILE 52 N 0.57 1.30 -0.38 3.13 2.04 -1.41 -0.77 117.51 121.99 1gjw h ILE 52 Ca 0.09 -2.03 -0.06 0.00 1.00 0.00 0.00 64.86 63.86 1gjw h ILE 52 Cb 0.64 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1gjw h ILE 52 CO 0.05 0.63 -0.03 0.71 0.00 0.00 0.00 178.15 179.50 1gjw h THR 53 N 0.38 1.22 -0.03 -0.27 1.35 -1.23 -0.93 112.91 113.39 1gjw h THR 53 Ca -0.07 -0.92 -0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1gjw h THR 53 Cb 1.43 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1gjw h THR 53 CO 0.16 0.31 0.02 0.44 -0.25 0.00 0.00 175.52 176.20 1gjw h ASP 54 N 0.58 0.04 -0.84 5.36 3.45 -0.95 0.48 116.42 124.54 1gjw h ASP 54 Ca 0.12 -0.04 0.11 0.00 0.43 0.00 0.00 57.03 57.65 1gjw h ASP 54 Cb 0.41 -0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 39.11 1gjw h ASP 54 CO 0.02 0.07 0.55 -0.25 -1.57 0.00 0.00 179.24 178.05 1gjw h TRP 55 N 0.00 0.82 0.03 4.55 7.01 -0.59 0.99 115.95 128.75 1gjw h TRP 55 Ca 0.01 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 1gjw h TRP 55 Cb 0.04 -0.26 0.01 0.00 -2.10 0.00 0.00 29.16 26.84 1gjw h TRP 55 CO -0.06 0.36 -0.27 0.82 -2.79 0.00 0.00 178.44 176.49 1gjw h ILE 56 N 0.74 1.62 -0.40 2.65 2.04 -0.66 -3.33 117.51 120.17 1gjw h ILE 56 Ca 0.40 -2.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 1gjw h ILE 56 Cb 0.53 3.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.64 1gjw h ILE 56 CO -0.17 0.59 0.17 -0.07 0.00 0.00 0.00 178.15 178.68 1gjw h LEU 57 N -0.64 0.50 -1.16 1.44 3.38 0.41 -1.80 115.31 117.44 1gjw h LEU 57 Ca -0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1gjw h LEU 57 Cb 1.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1gjw h LEU 57 CO 0.05 0.45 0.00 0.59 0.09 0.00 0.00 178.44 179.63 1gjw n ASN 58 N -4.39 0.54 -0.85 -0.43 3.02 0.30 -1.19 115.26 112.26 1gjw n ASN 58 Ca 0.03 0.72 0.12 0.00 -0.03 0.00 0.00 54.58 55.42 1gjw n ASN 58 Cb 0.13 -0.80 0.10 0.00 -0.61 0.00 0.00 39.78 38.60 1gjw n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gjw n GLN 59 N -2.20 2.09 -2.93 3.52 6.02 -0.68 -4.95 117.38 118.26 1gjw n GLN 59 Ca -0.00 -1.71 -0.38 0.00 -0.01 0.00 0.00 57.00 54.89 1gjw n GLN 59 Cb 0.08 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 1gjw n GLN 59 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1gjw s SER 60 N -2.09 7.35 0.00 1.08 1.04 -0.33 -4.98 113.70 115.77 1gjw s SER 60 Ca 0.27 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.38 1gjw s SER 60 Cb 0.20 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1gjw s SER 60 CO 0.35 0.11 0.00 -2.11 0.98 0.00 0.00 173.24 172.57 1gjw n ARG 61 N 1.18 3.50 -1.69 4.02 -4.01 -1.26 -5.01 116.66 113.38 1gjw n ARG 61 Ca -0.03 0.00 -0.07 0.00 -1.04 0.00 0.00 57.85 56.71 1gjw n ARG 61 Cb 0.49 0.00 0.08 0.00 -3.04 0.00 0.00 32.46 29.99 1gjw n ARG 61 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1gjw n GLU 62 N 0.00 2.19 -2.61 2.89 4.07 -1.26 -5.07 120.64 120.85 1gjw n GLU 62 Ca 0.00 -3.50 -0.23 0.00 -0.06 0.00 0.00 57.16 53.36 1gjw n GLU 62 Cb 0.00 -1.66 0.11 0.00 -0.06 0.00 0.00 31.44 29.83 1gjw n GLU 62 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1gjw s TRP 63 N -3.04 1.55 -0.45 4.31 0.52 -1.26 -5.06 118.94 115.51 1gjw s TRP 63 Ca 0.41 -0.31 -0.17 0.00 0.02 0.00 0.00 56.10 56.05 1gjw s TRP 63 Cb 0.38 -2.95 0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1gjw s TRP 63 CO -0.04 -1.69 0.46 0.34 0.02 0.00 0.00 176.95 176.04 1gjw s ASP 64 N -4.74 6.19 -0.04 2.95 3.68 -1.26 -4.94 116.67 118.51 1gjw s ASP 64 Ca 0.66 -0.86 0.07 0.00 2.13 0.00 0.00 52.55 54.55 1gjw s ASP 64 Cb -0.05 -2.23 0.26 0.00 -1.45 0.00 0.00 42.92 39.46 1gjw s ASP 64 CO 0.44 -0.65 1.08 -1.22 0.13 0.00 0.00 175.17 174.95 1gjw n TYR 65 N 5.61 0.54 0.34 -5.34 4.02 -1.26 -3.85 117.16 117.23 1gjw n TYR 65 Ca -0.08 -0.22 0.11 0.00 -0.01 0.00 0.00 57.90 57.70 1gjw n TYR 65 Cb 0.46 -0.12 0.27 0.00 -0.02 0.00 0.00 39.34 39.93 1gjw n TYR 65 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1gjw n SER 66 N 0.25 3.06 -4.62 7.72 3.41 -1.26 -4.14 113.62 118.05 1gjw n SER 66 Ca 0.09 -1.95 -0.27 0.00 -0.26 0.00 0.00 58.87 56.48 1gjw n SER 66 Cb 0.40 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 1gjw n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gjw s GLN 67 N -1.39 1.97 0.35 4.33 -2.07 -1.25 -2.85 119.66 118.75 1gjw s GLN 67 Ca 0.38 -1.99 -0.28 0.00 -1.82 0.00 0.00 55.36 51.66 1gjw s GLN 67 Cb 0.21 -1.73 -0.12 0.00 -1.09 0.00 0.00 33.01 30.28 1gjw s GLN 67 CO 0.29 0.02 1.35 -0.35 -1.32 0.00 0.00 175.29 175.27 1gjw n PRO 68 N -0.95 2.29 -0.01 9.60 -0.04 -1.16 -4.83 135.00 139.89 1gjw n PRO 68 Ca -0.04 0.80 0.21 0.00 -0.04 0.00 0.00 63.50 64.42 1gjw n PRO 68 Cb 0.65 -2.43 0.70 0.00 -0.04 0.00 0.00 33.50 32.38 1gjw n PRO 68 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1gjw h LEU 69 N 2.67 0.00 -1.45 1.53 3.38 -1.92 -0.38 115.31 119.13 1gjw h LEU 69 Ca -0.47 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.58 1gjw h LEU 69 Cb 1.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1gjw h LEU 69 CO 0.63 0.00 0.46 0.77 0.09 0.00 0.00 178.44 180.39 1gjw h SER 70 N 0.00 0.57 0.01 -0.43 4.64 -1.92 -0.20 113.55 116.22 1gjw h SER 70 Ca 0.26 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1gjw h SER 70 Cb 1.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1gjw h SER 70 CO -0.00 0.35 -0.00 -0.26 -0.87 0.00 0.00 176.83 176.05 1gjw h PHE 71 N 0.64 -0.01 0.00 4.77 0.05 -1.35 1.03 116.94 122.06 1gjw h PHE 71 Ca 0.31 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.08 1gjw h PHE 71 Cb 0.38 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.33 1gjw h PHE 71 CO -0.00 0.11 -0.09 -0.07 -0.18 0.00 0.00 178.31 178.07 1gjw h LEU 72 N -0.12 0.00 0.00 1.54 4.07 -1.34 -2.29 115.31 117.17 1gjw h LEU 72 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1gjw h LEU 72 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1gjw h LEU 72 CO 0.00 0.09 -1.10 0.29 -1.08 0.00 0.00 178.44 176.65 1gjw n LYS 73 N -3.41 0.06 -3.16 1.13 5.02 -0.18 -4.99 118.16 112.63 1gjw n LYS 73 Ca -0.01 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 1gjw n LYS 73 Cb 0.26 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.81 1gjw n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gjw n GLY 74 N 1.48 0.03 3.87 0.72 0.00 0.33 -5.01 105.19 106.60 1gjw n GLY 74 Ca 0.03 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1gjw n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gjw s GLU 75 N -5.75 3.77 0.00 1.61 2.02 0.13 -4.98 118.70 115.51 1gjw s GLU 75 Ca 0.34 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.52 1gjw s GLU 75 Cb -0.15 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1gjw s GLU 75 CO 0.45 0.54 0.85 1.63 0.02 0.00 0.00 175.26 178.75 1gjw n LYS 76 N 0.84 1.99 -4.04 1.61 4.76 -1.26 -4.45 118.16 117.61 1gjw n LYS 76 Ca -0.07 -1.21 -0.08 0.00 -2.87 0.00 0.00 58.31 54.08 1gjw n LYS 76 Cb 0.52 -0.94 -0.10 0.00 -1.84 0.00 0.00 35.03 32.67 1gjw n LYS 76 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1gjw s THR 77 N -0.72 0.18 -0.11 -0.18 -4.23 -1.25 -4.19 115.64 105.15 1gjw s THR 77 Ca 0.00 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1gjw s THR 77 Cb 0.00 -0.91 0.12 0.00 1.34 0.00 0.00 72.50 73.05 1gjw s THR 77 CO 0.00 -0.75 1.45 -0.81 -0.54 0.00 0.00 174.62 173.97 1gjw n PRO 78 N 0.84 1.28 0.23 3.99 -0.04 -1.24 -4.35 135.00 135.71 1gjw n PRO 78 Ca -0.19 -0.63 0.10 0.00 -0.04 0.00 0.00 63.50 62.75 1gjw n PRO 78 Cb 0.58 -1.25 0.52 0.00 -0.04 0.00 0.00 33.50 33.31 1gjw n PRO 78 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1gjw h ASP 79 N 0.53 0.00 -0.78 3.54 3.58 -1.95 -3.17 116.42 118.16 1gjw h ASP 79 Ca 0.13 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.69 1gjw h ASP 79 Cb 1.24 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.24 1gjw h ASP 79 CO 0.26 0.21 0.51 4.11 -2.88 0.00 0.00 179.24 181.45 1gjw h TRP 80 N 0.00 0.71 -0.26 0.28 5.08 -1.92 -2.10 115.95 117.73 1gjw h TRP 80 Ca -0.00 0.02 0.07 0.00 1.08 0.00 0.00 58.89 60.06 1gjw h TRP 80 Cb 0.66 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 26.58 1gjw h TRP 80 CO 0.00 0.31 0.19 0.97 -1.28 0.00 0.00 178.44 178.63 1gjw h ILE 81 N 0.64 0.88 0.00 0.12 6.09 -1.93 -0.27 117.51 123.04 1gjw h ILE 81 Ca 0.37 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.85 1gjw h ILE 81 Cb 0.57 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.71 1gjw h ILE 81 CO -0.14 0.01 0.00 0.11 -3.07 0.00 0.00 178.15 175.05 1gjw h LYS 82 N 0.03 0.00 -0.01 2.19 1.57 -1.60 -2.53 116.57 116.21 1gjw h LYS 82 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1gjw h LYS 82 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1gjw h LYS 82 CO -0.01 0.00 -0.03 0.54 -0.57 0.00 0.00 179.45 179.39 1gjw n ARG 83 N -2.36 0.85 -2.38 3.15 1.74 -0.13 -4.90 116.66 112.63 1gjw n ARG 83 Ca 0.01 -1.16 -0.28 0.00 -0.77 0.00 0.00 57.85 55.65 1gjw n ARG 83 Cb 0.21 -1.22 0.02 0.00 -1.02 0.00 0.00 32.46 30.44 1gjw n ARG 83 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1gjw s SER 84 N -1.08 5.94 -0.15 0.55 0.01 -0.96 -5.06 113.70 112.95 1gjw s SER 84 Ca 0.14 0.93 -0.00 0.00 1.31 0.00 0.00 55.95 58.32 1gjw s SER 84 Cb 0.10 -2.05 0.03 0.00 0.21 0.00 0.00 66.02 64.32 1gjw s SER 84 CO 0.17 -0.86 -0.08 -0.69 0.41 0.00 0.00 173.24 172.19 1gjw s VAL 85 N -2.94 1.25 -0.12 3.43 1.01 -1.26 -4.10 120.40 117.66 1gjw s VAL 85 Ca 0.52 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1gjw s VAL 85 Cb -0.11 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1gjw s VAL 85 CO 0.47 0.26 0.28 -0.69 0.00 0.00 0.00 175.10 175.42 1gjw s VAL 86 N 1.59 5.29 -0.22 2.92 1.01 -0.39 -0.63 120.40 129.96 1gjw s VAL 86 Ca 0.02 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 1gjw s VAL 86 Cb -0.14 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1gjw s VAL 86 CO -0.08 0.48 -0.05 -0.47 0.00 0.00 0.00 175.10 174.98 1gjw s TYR 87 N -0.21 2.95 -0.14 5.22 5.04 -0.29 -0.54 117.35 129.37 1gjw s TYR 87 Ca 0.18 -0.96 -0.16 0.00 -2.44 0.00 0.00 57.07 53.69 1gjw s TYR 87 Cb -0.14 -2.10 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 1gjw s TYR 87 CO 0.06 -0.55 0.40 0.20 -1.34 0.00 0.00 175.55 174.31 1gjw s GLY 88 N 1.47 2.29 -0.02 8.97 0.00 0.00 -0.92 107.32 119.11 1gjw s GLY 88 Ca 0.06 -0.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.36 1gjw s GLY 88 CO -0.04 0.65 0.18 -0.45 0.00 0.00 0.00 173.10 173.44 1gjw s SER 89 N 0.61 -0.06 -0.55 1.64 0.15 0.67 -0.86 113.70 115.30 1gjw s SER 89 Ca 0.21 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.82 1gjw s SER 89 Cb -0.14 0.27 0.14 0.00 -1.71 0.00 0.00 66.02 64.58 1gjw s SER 89 CO 0.07 -0.31 0.36 -0.22 1.20 0.00 0.00 173.24 174.35 1gjw s LEU 90 N -1.02 5.27 0.34 3.45 2.96 -1.26 -1.64 118.68 126.78 1gjw s LEU 90 Ca -0.11 -2.56 0.13 0.00 -0.22 0.00 0.00 54.13 51.37 1gjw s LEU 90 Cb -0.06 -1.86 1.06 0.00 0.50 0.00 0.00 46.19 45.84 1gjw s LEU 90 CO 0.02 -0.44 1.64 -0.65 -1.32 0.00 0.00 176.35 175.60 1gjw h PRO 91 N 7.41 0.22 -0.94 0.98 0.11 -1.95 0.26 132.00 138.11 1gjw h PRO 91 Ca -0.06 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.20 1gjw h PRO 91 Cb 0.99 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.97 1gjw h PRO 91 CO 0.71 0.15 0.60 -0.09 -0.21 0.00 0.00 178.00 179.16 1gjw h ARG 92 N 0.23 0.69 0.00 1.05 2.43 -1.94 -2.49 114.38 114.35 1gjw h ARG 92 Ca 0.72 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 59.60 1gjw h ARG 92 Cb 1.67 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 31.03 1gjw h ARG 92 CO -0.66 0.46 -1.37 2.41 -1.51 0.00 0.00 179.97 179.30 1gjw n THR 93 N -4.60 1.53 -0.26 0.20 -1.04 0.80 -1.46 114.28 109.45 1gjw n THR 93 Ca 0.19 -0.05 0.07 0.00 -2.04 0.00 0.00 64.05 62.22 1gjw n THR 93 Cb 0.51 -2.05 0.20 0.00 -1.82 0.00 0.00 70.33 67.18 1gjw n THR 93 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1gjw h THR 94 N -1.00 0.47 -0.67 12.58 2.02 -1.18 -2.29 112.91 122.85 1gjw h THR 94 Ca -0.37 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1gjw h THR 94 Cb 1.29 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1gjw h THR 94 CO -0.22 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.71 1gjw n ALA 95 N -2.68 3.13 -1.87 6.16 0.00 -0.94 -4.90 120.51 119.41 1gjw n ALA 95 Ca 0.16 -1.61 -0.40 0.00 0.00 0.00 0.00 53.44 51.58 1gjw n ALA 95 Cb 0.51 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 1gjw n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gjw s ALA 96 N -1.88 3.33 -0.26 0.00 0.00 -0.86 -4.04 121.76 118.06 1gjw s ALA 96 Ca 0.52 0.59 -0.26 0.00 0.00 0.00 0.00 51.96 52.81 1gjw s ALA 96 Cb 0.34 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 20.38 1gjw s ALA 96 CO 0.25 0.17 0.98 -0.47 0.00 0.00 0.00 175.76 176.69 1gjw s TYR 97 N -0.96 -0.51 -0.96 0.00 5.04 -0.33 -4.64 117.35 114.99 1gjw s TYR 97 Ca 0.42 1.21 -0.24 0.00 -2.44 0.00 0.00 57.07 56.02 1gjw s TYR 97 Cb -0.25 0.36 0.02 0.00 0.35 0.00 0.00 41.96 42.43 1gjw s TYR 97 CO 0.31 -0.27 1.61 1.21 -1.34 0.00 0.00 175.55 177.07 1gjw s ASN 98 N 0.08 6.02 0.18 4.32 3.84 -1.26 -4.51 114.94 123.60 1gjw s ASN 98 Ca 0.02 -1.10 0.16 0.00 0.21 0.00 0.00 52.86 52.15 1gjw s ASN 98 Cb -0.04 -2.57 0.76 0.00 -0.55 0.00 0.00 41.25 38.85 1gjw s ASN 98 CO -0.04 -1.94 1.50 1.41 -2.79 0.00 0.00 177.10 175.23 1gjw n HIS 99 N 10.64 0.46 0.22 0.43 8.25 -1.26 -1.95 115.22 132.01 1gjw n HIS 99 Ca 0.33 0.21 0.05 0.00 -0.26 0.00 0.00 57.72 58.06 1gjw n HIS 99 Cb 0.50 -0.84 0.48 0.00 1.12 0.00 0.00 29.99 31.25 1gjw n HIS 99 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1gjw h LYS 100 N 0.00 0.00 0.00 -0.41 1.57 -1.88 -0.49 116.57 115.36 1gjw h LYS 100 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gjw h LYS 100 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1gjw h LYS 100 CO 0.00 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 1gjw n GLY 101 N -0.77 0.52 3.65 3.86 0.00 -0.83 -4.80 105.19 106.82 1gjw n GLY 101 Ca -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1gjw n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gjw s SER 102 N -2.16 -0.33 0.76 1.61 1.04 -1.26 -5.11 113.70 108.24 1gjw s SER 102 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1gjw s SER 102 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1gjw s SER 102 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1gjw n GLY 103 N -0.40 0.65 3.87 7.32 0.00 -1.26 -4.82 105.19 110.55 1gjw n GLY 103 Ca -0.09 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1gjw n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gjw s TYR 104 N 0.00 3.42 0.47 1.61 1.51 -1.26 -5.08 117.35 118.02 1gjw s TYR 104 Ca 0.00 0.23 -0.23 0.00 -1.01 0.00 0.00 57.07 56.06 1gjw s TYR 104 Cb 0.00 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 40.02 1gjw s TYR 104 CO 0.00 0.58 1.03 0.98 -1.11 0.00 0.00 175.55 177.03 1gjw n TYR 105 N 0.56 1.21 -3.84 2.71 9.36 -1.26 -5.04 117.16 120.87 1gjw n TYR 105 Ca -0.08 0.51 -0.13 0.00 3.32 0.00 0.00 57.90 61.53 1gjw n TYR 105 Cb 0.52 -2.23 -0.14 0.00 -0.63 0.00 0.00 39.34 36.86 1gjw n TYR 105 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1gjw s GLU 106 N -2.23 0.04 0.22 2.98 2.02 -1.26 -5.04 118.70 115.42 1gjw s GLU 106 Ca 0.66 0.10 -0.10 0.00 0.02 0.00 0.00 54.97 55.65 1gjw s GLU 106 Cb -0.51 -0.03 0.33 0.00 0.10 0.00 0.00 34.13 34.02 1gjw s GLU 106 CO 0.55 -0.04 1.67 1.49 0.02 0.00 0.00 175.26 178.94 1gjw h GLU 107 N 6.34 0.15 -3.68 1.61 4.57 -1.95 -3.31 114.58 118.30 1gjw h GLU 107 Ca -0.29 -0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 57.58 1gjw h GLU 107 Cb 1.19 -0.03 -0.33 0.00 -0.16 0.00 0.00 28.75 29.42 1gjw h GLU 107 CO 0.48 0.10 -0.74 -0.80 -1.18 0.00 0.00 179.01 176.87 1gjw s ASN 108 N -5.24 0.22 0.44 1.04 0.01 -1.26 -1.46 114.94 108.69 1gjw s ASN 108 Ca -0.13 0.00 0.07 0.00 -0.71 0.00 0.00 52.86 52.09 1gjw s ASN 108 Cb 0.19 -0.12 -0.01 0.00 0.41 0.00 0.00 41.25 41.72 1gjw s ASN 108 CO 0.74 -0.09 0.36 1.51 -1.51 0.00 0.00 177.10 178.12 1gjw s ASP 109 N 0.82 4.87 0.39 -1.22 1.47 -0.50 -4.98 116.67 117.51 1gjw s ASP 109 Ca -0.07 -0.90 0.27 0.00 1.18 0.00 0.00 52.55 53.03 1gjw s ASP 109 Cb -0.11 -0.34 1.37 0.00 -0.34 0.00 0.00 42.92 43.50 1gjw s ASP 109 CO -0.02 -0.74 1.83 1.62 0.68 0.00 0.00 175.17 178.54 1gjw h VAL 110 N 1.02 0.00 -0.00 2.11 3.04 -2.00 -1.63 116.25 118.79 1gjw h VAL 110 Ca -0.40 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1gjw h VAL 110 Cb 1.27 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1gjw h VAL 110 CO 0.59 0.00 -0.18 0.18 -1.01 0.00 0.00 177.57 177.15 1gjw n LEU 111 N -2.48 0.41 0.00 3.16 4.77 -1.26 -4.90 117.00 116.70 1gjw n LEU 111 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1gjw n LEU 111 Cb 0.12 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1gjw n LEU 111 CO 0.16 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1gjw n GLY 112 N 1.37 0.64 3.81 -0.72 0.00 -0.61 -5.08 105.19 104.60 1gjw n GLY 112 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1gjw n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gjw s PHE 113 N -2.19 3.79 -0.44 1.61 2.99 -1.25 -4.72 117.98 117.77 1gjw s PHE 113 Ca 0.00 1.31 -0.19 0.00 0.00 0.00 0.00 56.93 58.05 1gjw s PHE 113 Cb 0.00 -2.53 0.03 0.00 0.00 0.00 0.00 43.02 40.51 1gjw s PHE 113 CO 0.00 0.54 0.56 0.50 -0.00 0.00 0.00 175.22 176.82 1gjw s ARG 114 N -1.29 3.19 0.42 0.44 3.52 -1.26 -1.41 118.95 122.55 1gjw s ARG 114 Ca 0.32 -0.59 0.23 0.00 -0.13 0.00 0.00 55.73 55.56 1gjw s ARG 114 Cb -0.19 -3.98 0.46 0.00 -1.56 0.00 0.00 34.95 29.68 1gjw s ARG 114 CO 0.20 -0.98 1.64 0.93 -0.81 0.00 0.00 175.30 176.29 1gjw h GLU 115 N 8.84 0.00 -7.29 5.12 5.08 -1.34 -3.45 114.58 121.53 1gjw h GLU 115 Ca -0.26 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.58 1gjw h GLU 115 Cb 1.10 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.52 1gjw h GLU 115 CO 0.86 0.13 0.26 0.00 -1.00 0.00 0.00 179.01 179.26 1gjw s ALA 116 N -3.25 1.75 0.26 3.43 0.00 -1.22 -1.19 121.76 121.54 1gjw s ALA 116 Ca 0.05 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 1gjw s ALA 116 Cb 0.06 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1gjw s ALA 116 CO 0.67 -2.39 1.33 0.20 0.00 0.00 0.00 175.76 175.57 1gjw s GLY 117 N -2.95 2.62 0.18 0.00 0.00 -0.53 -4.65 107.32 101.98 1gjw s GLY 117 Ca 0.65 1.20 0.06 0.00 0.00 0.00 0.00 44.72 46.63 1gjw s GLY 117 CO 0.57 2.05 -0.13 -0.51 0.00 0.00 0.00 173.10 175.08 1gjw s THR 118 N -0.36 1.51 0.49 0.90 -4.23 -1.26 -4.41 115.64 108.27 1gjw s THR 118 Ca 0.54 -2.12 0.16 0.00 -1.18 0.00 0.00 61.69 59.09 1gjw s THR 118 Cb -0.39 -1.94 0.23 0.00 1.34 0.00 0.00 72.50 71.75 1gjw s THR 118 CO 0.44 -0.63 2.08 -0.26 -0.54 0.00 0.00 174.62 175.70 1gjw h PHE 119 N 2.71 0.00 -0.50 3.99 0.04 -1.77 -0.66 116.94 120.76 1gjw h PHE 119 Ca -0.38 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.30 1gjw h PHE 119 Cb 1.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.34 1gjw h PHE 119 CO 0.69 0.09 -0.07 0.35 -0.60 0.00 0.00 178.31 178.77 1gjw h PHE 120 N 0.00 1.02 -0.04 -0.55 3.04 -1.87 -2.15 116.94 116.39 1gjw h PHE 120 Ca -0.00 -0.20 -0.14 0.00 3.98 0.00 0.00 57.97 61.60 1gjw h PHE 120 Cb 0.16 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1gjw h PHE 120 CO 0.00 0.97 -0.63 0.87 -2.02 0.00 0.00 178.31 177.50 1gjw h LYS 121 N 0.78 0.16 0.00 1.11 1.57 -1.77 -2.02 116.57 116.39 1gjw h LYS 121 Ca 0.13 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1gjw h LYS 121 Cb 0.61 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1gjw h LYS 121 CO 0.04 0.73 -0.13 0.52 -0.57 0.00 0.00 179.45 180.04 1gjw h MET 122 N 0.11 0.00 -0.16 3.15 2.86 -1.01 -1.03 114.93 118.85 1gjw h MET 122 Ca -0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1gjw h MET 122 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1gjw h MET 122 CO 0.09 0.13 -0.28 0.52 1.06 0.00 0.00 176.91 178.43 1gjw h MET 123 N 0.00 0.46 0.00 1.72 2.86 -0.70 -2.96 114.93 116.31 1gjw h MET 123 Ca -0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1gjw h MET 123 Cb 0.24 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1gjw h MET 123 CO 0.02 0.89 -0.03 -0.07 1.06 0.00 0.00 176.91 178.78 1gjw h LEU 124 N 0.09 0.00 0.00 1.22 3.38 -0.77 -1.75 115.31 117.47 1gjw h LEU 124 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gjw h LEU 124 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1gjw h LEU 124 CO 0.06 0.03 -0.23 0.18 0.09 0.00 0.00 178.44 178.57 1gjw n LEU 125 N -4.06 0.30 -0.35 1.67 4.77 -0.46 -4.16 117.00 114.71 1gjw n LEU 125 Ca -0.03 0.30 0.15 0.00 -0.03 0.00 0.00 56.01 56.41 1gjw n LEU 125 Cb 0.12 -0.37 0.36 0.00 -2.33 0.00 0.00 43.42 41.19 1gjw n LEU 125 CO 0.30 0.03 1.18 -0.07 -1.33 0.00 0.00 177.39 177.50 1gjw h LEU 126 N 0.00 0.72 -0.80 2.23 3.38 -1.15 0.89 115.31 120.58 1gjw h LEU 126 Ca 0.00 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1gjw h LEU 126 Cb 0.54 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1gjw h LEU 126 CO 0.00 0.20 0.15 -0.65 0.09 0.00 0.00 178.44 178.22 1gjw h PRO 127 N 0.67 1.05 0.21 1.13 0.11 -1.80 -0.75 132.00 132.63 1gjw h PRO 127 Ca 0.61 -0.25 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 1gjw h PRO 127 Cb 1.06 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1gjw h PRO 127 CO -0.42 0.94 -0.10 0.35 -0.21 0.00 0.00 178.00 178.56 1gjw h PHE 128 N 1.00 -0.26 -0.62 0.65 3.57 -1.17 -0.58 116.94 119.53 1gjw h PHE 128 Ca 0.21 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.77 1gjw h PHE 128 Cb 0.37 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1gjw h PHE 128 CO 0.03 -0.11 0.31 0.28 -2.23 0.00 0.00 178.31 176.59 1gjw h VAL 129 N -0.36 0.90 -0.59 1.41 2.07 -0.86 -1.00 116.25 117.82 1gjw h VAL 129 Ca -0.03 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1gjw h VAL 129 Cb 0.27 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1gjw h VAL 129 CO 0.05 0.10 0.28 0.50 0.02 0.00 0.00 177.57 178.52 1gjw h LYS 130 N 0.56 0.83 0.00 1.57 1.63 -1.02 -1.61 116.57 118.53 1gjw h LYS 130 Ca 0.29 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1gjw h LYS 130 Cb 0.25 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1gjw h LYS 130 CO -0.22 0.65 0.00 -1.13 -3.45 0.00 0.00 179.45 175.30 1gjw n SER 131 N -4.36 0.53 0.17 4.20 3.41 -0.23 -1.71 113.62 115.63 1gjw n SER 131 Ca 0.05 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.43 1gjw n SER 131 Cb 0.13 -0.77 0.10 0.00 -0.26 0.00 0.00 64.21 63.41 1gjw n SER 131 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gjw h LEU 132 N 0.00 0.00 0.00 1.04 3.38 -1.10 -3.46 115.31 115.17 1gjw h LEU 132 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gjw h LEU 132 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1gjw h LEU 132 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1gjw n GLY 133 N 1.15 0.77 3.76 0.83 0.00 -0.69 -4.55 105.19 106.45 1gjw n GLY 133 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1gjw n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjw s ALA 134 N -2.00 3.30 -0.09 4.61 0.00 -1.24 -4.73 121.76 121.62 1gjw s ALA 134 Ca 0.00 0.72 0.13 0.00 0.00 0.00 0.00 51.96 52.81 1gjw s ALA 134 Cb 0.00 -3.26 0.25 0.00 0.00 0.00 0.00 23.12 20.11 1gjw s ALA 134 CO 0.00 -0.01 1.12 -0.40 0.00 0.00 0.00 175.76 176.47 1gjw n ASP 135 N 0.96 1.36 -3.65 0.00 3.85 0.19 -4.59 116.55 114.67 1gjw n ASP 135 Ca 0.00 -2.77 -0.09 0.00 -0.71 0.00 0.00 54.79 51.22 1gjw n ASP 135 Cb 0.47 -0.36 -0.08 0.00 -1.35 0.00 0.00 41.12 39.80 1gjw n ASP 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1gjw s ALA 136 N -1.70 -1.70 -0.19 2.12 0.00 -1.06 -1.45 121.76 117.77 1gjw s ALA 136 Ca 0.24 2.16 -0.03 0.00 0.00 0.00 0.00 51.96 54.33 1gjw s ALA 136 Cb 0.23 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1gjw s ALA 136 CO -0.02 -0.35 -0.07 0.42 0.00 0.00 0.00 175.76 175.74 1gjw s ILE 137 N 1.26 3.29 -0.18 0.00 1.01 0.37 -1.14 121.20 125.81 1gjw s ILE 137 Ca -0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1gjw s ILE 137 Cb -0.05 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1gjw s ILE 137 CO -0.13 0.46 0.08 -0.47 0.00 0.00 0.00 174.94 174.88 1gjw s TYR 138 N 1.10 3.31 -0.02 3.97 5.04 -0.10 -1.64 117.35 129.01 1gjw s TYR 138 Ca 0.01 0.17 0.05 0.00 -2.44 0.00 0.00 57.07 54.86 1gjw s TYR 138 Cb -0.15 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.05 1gjw s TYR 138 CO -0.01 0.23 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.76 1gjw s LEU 139 N 0.26 2.65 0.85 6.97 1.43 -0.48 -0.24 118.68 130.12 1gjw s LEU 139 Ca 0.05 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 1gjw s LEU 139 Cb -0.12 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.66 1gjw s LEU 139 CO -0.00 0.31 1.10 -0.76 0.23 0.00 0.00 176.35 177.23 1gjw s LEU 140 N -0.96 2.38 0.03 1.79 1.02 -0.65 -3.14 118.68 119.15 1gjw s LEU 140 Ca 0.13 1.31 -0.39 0.00 0.02 0.00 0.00 54.13 55.20 1gjw s LEU 140 Cb -0.11 -3.81 -0.19 0.00 0.02 0.00 0.00 46.19 42.10 1gjw s LEU 140 CO 0.02 -2.29 1.10 -2.65 0.02 0.00 0.00 176.35 172.55 1gjw n PRO 141 N -3.64 0.25 -0.03 1.29 -0.02 -1.26 -4.67 135.00 126.92 1gjw n PRO 141 Ca 0.07 0.09 0.04 0.00 -2.02 0.00 0.00 63.50 61.68 1gjw n PRO 141 Cb 0.56 -1.60 0.05 0.00 -0.02 0.00 0.00 33.50 32.50 1gjw n PRO 141 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1gjw n VAL 142 N 1.64 1.32 -1.27 -1.45 0.24 -1.26 -4.81 118.33 112.74 1gjw n VAL 142 Ca 0.19 -1.44 -0.29 0.00 -2.04 0.00 0.00 64.34 60.76 1gjw n VAL 142 Cb 0.11 0.24 0.14 0.00 -1.47 0.00 0.00 33.84 32.86 1gjw n VAL 142 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1gjw s SER 143 N -1.65 3.37 0.10 -1.34 1.04 -1.26 -1.72 113.70 112.24 1gjw s SER 143 Ca 0.12 1.32 -0.32 0.00 0.48 0.00 0.00 55.95 57.55 1gjw s SER 143 Cb 0.10 -2.00 -0.11 0.00 0.10 0.00 0.00 66.02 64.11 1gjw s SER 143 CO 0.01 -2.68 1.80 -1.14 0.98 0.00 0.00 173.24 172.22 1gjw n ARG 144 N -3.90 2.61 -3.82 4.02 0.63 0.23 -3.93 116.66 112.51 1gjw n ARG 144 Ca 0.06 0.95 -0.34 0.00 -0.92 0.00 0.00 57.85 57.61 1gjw n ARG 144 Cb 0.56 -2.82 -0.05 0.00 0.45 0.00 0.00 32.46 30.61 1gjw n ARG 144 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1gjw s MET 145 N 2.63 3.52 0.33 -0.14 -1.94 -1.26 0.26 119.30 122.69 1gjw s MET 145 Ca 0.83 -0.20 -0.26 0.00 -1.71 0.00 0.00 55.69 54.35 1gjw s MET 145 Cb -0.54 -3.06 -0.09 0.00 2.01 0.00 0.00 34.83 33.14 1gjw s MET 145 CO 0.39 0.64 1.00 0.45 -0.01 0.00 0.00 175.02 177.49 1gjw s SER 146 N -1.92 7.20 0.00 3.03 0.15 0.05 -4.67 113.70 117.54 1gjw s SER 146 Ca 0.29 1.97 0.21 0.00 0.70 0.00 0.00 55.95 59.13 1gjw s SER 146 Cb -0.13 -2.59 0.61 0.00 -1.71 0.00 0.00 66.02 62.20 1gjw s SER 146 CO 0.19 -0.17 1.51 0.47 1.20 0.00 0.00 173.24 176.43 1gjw n ASP 147 N 0.58 3.84 -4.93 5.45 10.43 -1.26 -4.71 116.55 125.96 1gjw n ASP 147 Ca 0.02 -2.00 -0.28 0.00 2.57 0.00 0.00 54.79 55.10 1gjw n ASP 147 Cb 0.49 -0.46 -0.04 0.00 1.84 0.00 0.00 41.12 42.96 1gjw n ASP 147 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1gjw s LEU 148 N -1.02 4.33 -1.48 0.64 1.43 -1.26 -4.54 118.68 116.78 1gjw s LEU 148 Ca 0.46 0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.67 1gjw s LEU 148 Cb 0.24 -2.91 0.06 0.00 0.03 0.00 0.00 46.19 43.61 1gjw s LEU 148 CO 0.32 0.11 0.88 0.49 0.23 0.00 0.00 176.35 178.38 1gjw n PHE 149 N -0.14 -2.16 -2.27 0.29 3.72 -1.26 -4.77 117.46 110.87 1gjw n PHE 149 Ca -0.06 0.88 -0.31 0.00 -0.05 0.00 0.00 57.45 57.90 1gjw n PHE 149 Cb 0.53 -4.04 -0.02 0.00 -0.94 0.00 0.00 39.48 35.01 1gjw n PHE 149 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1gjw s LYS 150 N -6.47 3.80 0.00 -1.08 1.02 -1.26 -4.11 119.74 111.64 1gjw s LYS 150 Ca 0.47 0.81 0.23 0.00 0.02 0.00 0.00 55.97 57.49 1gjw s LYS 150 Cb -0.24 -2.15 0.06 0.00 -0.52 0.00 0.00 37.83 34.98 1gjw s LYS 150 CO 0.83 -0.35 1.11 1.63 -0.92 0.00 0.00 175.35 177.65 1gjw n LYS 151 N -1.98 0.28 0.00 1.68 5.02 -1.26 -5.00 118.16 116.90 1gjw n LYS 151 Ca 0.06 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1gjw n LYS 151 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1gjw n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gjw n GLY 152 N 1.47 3.80 0.40 0.72 0.00 -1.23 -5.02 105.19 105.33 1gjw n GLY 152 Ca 0.06 -0.84 0.14 0.00 0.00 0.00 0.00 46.02 45.38 1gjw n GLY 152 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gjw n ASP 153 N 0.00 1.26 -4.12 1.61 5.68 -0.90 -4.82 116.55 115.26 1gjw n ASP 153 Ca 0.00 -1.42 -0.23 0.00 -0.50 0.00 0.00 54.79 52.65 1gjw n ASP 153 Cb 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.83 1gjw n ASP 153 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gjw s ALA 154 N -2.00 1.23 0.57 2.12 0.00 -0.60 -4.88 121.76 118.20 1gjw s ALA 154 Ca 0.39 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 1gjw s ALA 154 Cb 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1gjw s ALA 154 CO 0.34 0.30 1.05 -1.25 0.00 0.00 0.00 175.76 176.20 1gjw s PRO 155 N -0.41 3.41 0.25 0.00 0.04 -1.26 -4.28 135.00 132.74 1gjw s PRO 155 Ca 0.05 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1gjw s PRO 155 Cb -0.06 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1gjw s PRO 155 CO -0.00 -0.74 1.10 0.45 0.04 0.00 0.00 177.00 177.84 1gjw s SER 156 N -2.64 7.28 0.17 6.66 0.15 -1.24 -4.69 113.70 119.40 1gjw s SER 156 Ca 0.64 2.21 0.17 0.00 0.70 0.00 0.00 55.95 59.67 1gjw s SER 156 Cb -0.16 -2.62 0.77 0.00 -1.71 0.00 0.00 66.02 62.29 1gjw s SER 156 CO 0.34 -0.16 1.51 -0.81 1.20 0.00 0.00 173.24 175.32 1gjw n PRO 157 N 1.56 0.10 0.00 5.44 -0.04 -1.26 -1.78 135.00 139.02 1gjw n PRO 157 Ca 0.00 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 1gjw n PRO 157 Cb 0.45 -1.74 0.57 0.00 -0.04 0.00 0.00 33.50 32.74 1gjw n PRO 157 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1gjw n TYR 158 N -1.94 0.00 -3.00 0.54 4.01 -1.26 -4.45 117.16 111.06 1gjw n TYR 158 Ca 0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.31 1gjw n TYR 158 Cb 0.12 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1gjw n TYR 158 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1gjw s SER 159 N -2.25 7.10 -0.49 7.72 0.15 -0.73 -4.84 113.70 120.35 1gjw s SER 159 Ca 0.34 -3.06 -0.28 0.00 0.70 0.00 0.00 55.95 53.64 1gjw s SER 159 Cb 0.20 -2.38 0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1gjw s SER 159 CO 0.42 -0.69 1.10 -0.69 1.20 0.00 0.00 173.24 174.58 1gjw s VAL 160 N 1.21 4.23 0.09 4.45 1.01 -1.26 -0.77 120.40 129.37 1gjw s VAL 160 Ca 0.41 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.52 1gjw s VAL 160 Cb -0.04 -4.59 -0.21 0.00 0.00 0.00 0.00 36.38 31.54 1gjw s VAL 160 CO -0.01 -1.04 1.18 0.50 0.00 0.00 0.00 175.10 175.73 1gjw h LYS 161 N 9.26 0.00 -1.91 2.72 3.64 -0.46 -0.15 116.57 129.67 1gjw h LYS 161 Ca -0.24 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 1gjw h LYS 161 Cb 1.06 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.58 1gjw h LYS 161 CO 1.12 0.92 -0.50 1.21 -2.27 0.00 0.00 179.45 179.92 1gjw s ASN 162 N -6.61 0.38 0.48 4.20 3.84 -1.12 -0.37 114.94 115.74 1gjw s ASN 162 Ca 0.00 0.07 0.17 0.00 0.21 0.00 0.00 52.86 53.31 1gjw s ASN 162 Cb 0.10 1.05 1.15 0.00 -0.55 0.00 0.00 41.25 43.00 1gjw s ASN 162 CO 0.82 -0.31 2.04 -0.65 -2.79 0.00 0.00 177.10 176.21 1gjw h PRO 163 N 8.19 0.00 -0.01 0.43 0.11 -1.88 -2.90 132.00 135.94 1gjw h PRO 163 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1gjw h PRO 163 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1gjw h PRO 163 CO 0.28 0.13 -0.08 -1.33 -0.21 0.00 0.00 178.00 176.79 1gjw n MET 164 N -4.26 1.13 -4.57 1.05 2.81 -1.26 -4.87 117.12 107.16 1gjw n MET 164 Ca -0.03 -0.51 -0.25 0.00 -1.81 0.00 0.00 57.70 55.10 1gjw n MET 164 Cb 0.21 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.09 1gjw n MET 164 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1gjw s GLU 165 N -2.22 1.34 0.34 0.03 0.41 -1.10 -5.08 118.70 112.42 1gjw s GLU 165 Ca 0.35 -1.00 -0.15 0.00 -0.41 0.00 0.00 54.97 53.76 1gjw s GLU 165 Cb 0.21 -1.49 -0.09 0.00 -1.78 0.00 0.00 34.13 30.98 1gjw s GLU 165 CO 0.41 0.37 0.75 -0.51 -0.49 0.00 0.00 175.26 175.80 1gjw s LEU 166 N -1.35 4.02 0.02 1.80 1.43 -1.26 -0.60 118.68 122.74 1gjw s LEU 166 Ca 0.07 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.15 1gjw s LEU 166 Cb -0.09 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.98 1gjw s LEU 166 CO 0.02 -0.25 1.30 -0.62 0.23 0.00 0.00 176.35 177.04 1gjw s ASP 167 N -2.41 6.95 0.61 2.29 -1.08 -0.70 -4.32 116.67 118.02 1gjw s ASP 167 Ca 0.54 2.06 0.29 0.00 -0.52 0.00 0.00 52.55 54.93 1gjw s ASP 167 Cb -0.10 -2.57 1.58 0.00 -1.46 0.00 0.00 42.92 40.37 1gjw s ASP 167 CO 0.19 -0.61 1.96 -0.08 0.52 0.00 0.00 175.17 177.15 1gjw h GLU 168 N 7.31 0.00 0.00 4.34 4.57 -1.94 -1.83 114.58 127.03 1gjw h GLU 168 Ca -0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1gjw h GLU 168 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1gjw h GLU 168 CO 0.87 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.70 1gjw h ARG 169 N 0.00 0.00 -0.00 1.92 3.08 -1.98 -1.22 114.38 116.18 1gjw h ARG 169 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1gjw h ARG 169 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1gjw h ARG 169 CO -0.00 0.00 -0.02 0.66 -1.07 0.00 0.00 179.97 179.54 1gjw n TYR 170 N -2.34 0.00 -2.58 3.04 4.02 -0.69 -4.77 117.16 113.84 1gjw n TYR 170 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1gjw n TYR 170 Cb 0.13 -0.07 -0.05 0.00 -0.02 0.00 0.00 39.34 39.34 1gjw n TYR 170 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1gjw s HIS 171 N -2.15 3.45 -0.23 -0.72 5.65 -0.46 -2.06 115.29 118.76 1gjw s HIS 171 Ca 0.41 1.70 -0.05 0.00 0.25 0.00 0.00 55.06 57.37 1gjw s HIS 171 Cb 0.21 -3.12 -0.01 0.00 -1.18 0.00 0.00 32.58 28.48 1gjw s HIS 171 CO 0.39 -0.41 -0.01 0.34 -0.65 0.00 0.00 174.74 174.41 1gjw s ASP 172 N -1.39 4.54 0.51 9.88 -1.08 -1.26 -4.92 116.67 122.95 1gjw s ASP 172 Ca 0.52 -0.40 0.22 0.00 -0.52 0.00 0.00 52.55 52.37 1gjw s ASP 172 Cb -0.24 -1.79 1.17 0.00 -1.46 0.00 0.00 42.92 40.61 1gjw s ASP 172 CO 0.30 -0.04 1.62 1.55 0.52 0.00 0.00 175.17 179.12 1gjw h PRO 173 N 8.15 0.00 0.00 4.34 0.13 -1.96 0.37 132.00 143.03 1gjw h PRO 173 Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1gjw h PRO 173 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1gjw h PRO 173 CO 0.60 0.00 -0.27 -0.07 -0.23 0.00 0.00 178.00 178.02 1gjw h LEU 174 N 0.00 0.00 -5.11 1.56 3.38 -1.94 -2.98 115.31 110.23 1gjw h LEU 174 Ca 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 1gjw h LEU 174 Cb 0.66 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.11 1gjw h LEU 174 CO 0.00 0.27 0.71 0.18 0.09 0.00 0.00 178.44 179.69 1gjw n LEU 175 N -4.19 6.94 -0.24 1.67 4.77 0.12 -4.85 117.00 121.22 1gjw n LEU 175 Ca -0.02 -5.01 0.02 0.00 -0.03 0.00 0.00 56.01 50.97 1gjw n LEU 175 Cb 0.32 -0.97 0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1gjw n LEU 175 CO 0.37 1.90 0.77 -0.08 -1.33 0.00 0.00 177.39 179.02 1gjw h GLU 176 N 3.10 0.04 0.00 3.23 4.22 -1.67 -0.44 114.58 123.07 1gjw h GLU 176 Ca 0.51 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.94 1gjw h GLU 176 Cb 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1gjw h GLU 176 CO 1.28 0.03 0.00 -2.30 -2.18 0.00 0.00 179.01 175.84 1gjw n PRO 177 N -5.41 0.09 -4.44 0.92 -0.02 -1.26 -4.71 135.00 120.17 1gjw n PRO 177 Ca 0.11 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.33 1gjw n PRO 177 Cb 0.40 -1.49 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 1gjw n PRO 177 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1gjw s PHE 178 N -2.00 2.26 0.18 6.00 0.40 -0.18 -5.14 117.98 119.51 1gjw s PHE 178 Ca 0.04 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1gjw s PHE 178 Cb 0.02 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 1gjw s PHE 178 CO 0.03 0.58 0.35 0.21 0.70 0.00 0.00 175.22 177.09 1gjw s LYS 179 N -3.05 3.48 0.29 0.44 2.47 -1.26 -4.99 119.74 117.13 1gjw s LYS 179 Ca 0.24 -0.45 0.01 0.00 -1.56 0.00 0.00 55.97 54.21 1gjw s LYS 179 Cb -0.06 -2.89 0.54 0.00 -1.46 0.00 0.00 37.83 33.96 1gjw s LYS 179 CO 0.12 0.45 1.87 -0.24 0.16 0.00 0.00 175.35 177.71 1gjw h VAL 180 N 1.56 0.99 -0.03 4.02 3.04 -1.95 -0.88 116.25 123.01 1gjw h VAL 180 Ca -0.48 -0.35 -0.05 0.00 -1.01 0.00 0.00 66.70 64.81 1gjw h VAL 180 Cb 1.19 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 1gjw h VAL 180 CO 0.68 0.19 -0.22 0.44 -1.01 0.00 0.00 177.57 177.64 1gjw h ASP 181 N 1.01 0.04 0.14 3.17 5.19 -1.95 -1.68 116.42 122.34 1gjw h ASP 181 Ca 0.44 -0.01 -0.27 0.00 -0.62 0.00 0.00 57.03 56.58 1gjw h ASP 181 Cb 0.35 -0.01 0.02 0.00 0.18 0.00 0.00 39.33 39.87 1gjw h ASP 181 CO -0.20 0.27 -1.10 -0.33 -3.12 0.00 0.00 179.24 174.76 1gjw h GLU 182 N 0.04 0.60 -0.61 3.56 5.08 -1.60 -2.25 114.58 119.40 1gjw h GLU 182 Ca 0.01 -0.71 -0.08 0.00 -1.00 0.00 0.00 59.36 57.58 1gjw h GLU 182 Cb 0.42 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1gjw h GLU 182 CO 0.03 1.30 0.07 0.93 -1.00 0.00 0.00 179.01 180.34 1gjw h GLU 183 N 0.31 1.01 -0.21 2.33 5.08 -0.96 0.39 114.58 122.54 1gjw h GLU 183 Ca -0.14 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 57.89 1gjw h GLU 183 Cb 1.76 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1gjw h GLU 183 CO 0.21 0.95 -0.09 0.35 -1.00 0.00 0.00 179.01 179.43 1gjw h PHE 184 N 0.95 0.50 -0.67 4.33 3.57 -1.36 0.42 116.94 124.68 1gjw h PHE 184 Ca 0.19 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1gjw h PHE 184 Cb 0.45 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 1gjw h PHE 184 CO 0.03 0.71 0.42 -0.22 -2.23 0.00 0.00 178.31 177.03 1gjw h LYS 185 N 0.14 0.82 -0.62 1.11 3.64 -1.16 0.00 116.57 120.50 1gjw h LYS 185 Ca 0.05 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1gjw h LYS 185 Cb 0.58 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1gjw h LYS 185 CO 0.03 0.54 0.26 0.00 -2.27 0.00 0.00 179.45 178.01 1gjw h ALA 186 N 1.27 1.29 -0.40 5.00 0.00 -0.76 -1.41 119.26 124.25 1gjw h ALA 186 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1gjw h ALA 186 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1gjw h ALA 186 CO -0.09 0.53 0.21 0.35 0.00 0.00 0.00 179.25 180.25 1gjw h PHE 187 N 0.89 0.56 0.00 0.00 3.57 0.81 -1.17 116.94 121.60 1gjw h PHE 187 Ca 0.21 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1gjw h PHE 187 Cb 0.16 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1gjw h PHE 187 CO 0.01 0.45 -0.44 0.28 -2.23 0.00 0.00 178.31 176.38 1gjw h VAL 188 N 0.51 1.29 -0.12 1.41 2.07 -0.78 -2.07 116.25 118.56 1gjw h VAL 188 Ca 0.14 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1gjw h VAL 188 Cb 0.09 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1gjw h VAL 188 CO -0.02 0.43 -0.03 -0.33 0.02 0.00 0.00 177.57 177.64 1gjw h GLU 189 N 0.00 0.24 -0.69 1.57 5.08 -0.92 -1.40 114.58 118.46 1gjw h GLU 189 Ca -0.00 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1gjw h GLU 189 Cb 0.80 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1gjw h GLU 189 CO 0.06 0.54 0.40 0.00 -1.00 0.00 0.00 179.01 179.01 1gjw h ALA 190 N 0.69 0.91 -0.03 3.43 0.00 -1.01 -0.91 119.26 122.34 1gjw h ALA 190 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gjw h ALA 190 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1gjw h ALA 190 CO 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.34 1gjw h HIS 192 N -0.06 0.97 -0.95 0.00 -0.00 -0.81 0.24 115.15 114.54 1gjw h HIS 192 Ca 0.03 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 1gjw h HIS 192 Cb 0.09 -0.32 -0.06 0.00 -0.00 0.00 0.00 27.41 27.13 1gjw h HIS 192 CO -0.13 0.56 0.62 0.82 -0.00 0.00 0.00 177.93 179.81 1gjw h ILE 193 N 1.01 1.13 -0.03 2.45 2.04 -1.00 -0.69 117.51 122.42 1gjw h ILE 193 Ca 0.32 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1gjw h ILE 193 Cb -0.01 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 35.94 1gjw h ILE 193 CO -0.10 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.44 1gjw n LEU 194 N -4.46 0.46 0.00 1.44 4.77 -0.67 -4.83 117.00 113.70 1gjw n LEU 194 Ca 0.13 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1gjw n LEU 194 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1gjw n LEU 194 CO 0.34 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1gjw n GLY 195 N 0.96 0.81 3.64 -0.72 0.00 -0.27 -5.03 105.19 104.59 1gjw n GLY 195 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1gjw n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gjw s ILE 196 N -3.14 4.94 0.52 -0.61 1.01 0.75 -4.81 121.20 119.86 1gjw s ILE 196 Ca 0.00 1.31 -0.17 0.00 0.00 0.00 0.00 60.65 61.79 1gjw s ILE 196 Cb 0.00 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 1gjw s ILE 196 CO 0.00 0.01 0.99 -0.13 0.00 0.00 0.00 174.94 175.81 1gjw s ARG 197 N 2.50 3.93 -0.11 2.79 1.81 -0.53 -3.18 118.95 126.15 1gjw s ARG 197 Ca 0.30 0.97 0.03 0.00 -1.72 0.00 0.00 55.73 55.31 1gjw s ARG 197 Cb -0.16 -2.13 0.01 0.00 -0.45 0.00 0.00 34.95 32.22 1gjw s ARG 197 CO 0.09 -0.29 -0.22 0.08 -0.68 0.00 0.00 175.30 174.28 1gjw s VAL 198 N -2.60 1.96 -0.12 3.52 1.01 -1.26 -0.48 120.40 122.42 1gjw s VAL 198 Ca 0.59 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1gjw s VAL 198 Cb -0.10 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1gjw s VAL 198 CO 0.31 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 175.12 1gjw s ILE 199 N 0.60 1.82 0.56 2.22 1.01 -0.65 -0.50 121.20 126.26 1gjw s ILE 199 Ca -0.13 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.74 1gjw s ILE 199 Cb -0.17 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.73 1gjw s ILE 199 CO 0.04 0.50 0.48 -0.76 0.00 0.00 0.00 174.94 175.20 1gjw s LEU 200 N 0.85 2.72 -0.05 2.97 1.43 -0.71 -1.39 118.68 124.51 1gjw s LEU 200 Ca -0.08 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 51.85 1gjw s LEU 200 Cb -0.15 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1gjw s LEU 200 CO -0.01 -1.19 -0.16 -0.62 0.23 0.00 0.00 176.35 174.60 1gjw s ASP 201 N -4.37 2.08 0.04 2.29 -1.08 -1.19 -0.02 116.67 114.43 1gjw s ASP 201 Ca 0.38 -0.35 0.02 0.00 -0.52 0.00 0.00 52.55 52.08 1gjw s ASP 201 Cb -0.03 -0.71 -0.02 0.00 -1.46 0.00 0.00 42.92 40.70 1gjw s ASP 201 CO 0.24 0.12 -0.07 -0.36 0.52 0.00 0.00 175.17 175.61 1gjw s PHE 202 N 0.24 0.64 -0.47 -5.34 0.40 -0.30 -4.32 117.98 108.83 1gjw s PHE 202 Ca -0.08 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1gjw s PHE 202 Cb -0.13 -0.39 0.14 0.00 0.51 0.00 0.00 43.02 43.15 1gjw s PHE 202 CO 0.03 -0.08 0.27 0.42 0.70 0.00 0.00 175.22 176.56 1gjw s ILE 203 N -1.28 1.66 0.21 0.64 1.09 -1.26 -0.37 121.20 121.90 1gjw s ILE 203 Ca -0.09 -2.84 -0.09 0.00 -1.10 0.00 0.00 60.65 56.53 1gjw s ILE 203 Cb -0.09 -2.15 0.15 0.00 -1.06 0.00 0.00 42.46 39.30 1gjw s ILE 203 CO 0.00 -0.91 1.81 -0.65 -0.10 0.00 0.00 174.94 175.10 1gjw h PRO 204 N 6.51 0.70 -0.12 2.79 0.11 -1.94 -3.25 132.00 136.80 1gjw h PRO 204 Ca 0.01 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.11 1gjw h PRO 204 Cb 0.90 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1gjw h PRO 204 CO 0.53 0.46 0.09 -0.09 -0.21 0.00 0.00 178.00 178.78 1gjw h ARG 205 N 0.72 0.00 -5.55 1.05 9.65 -1.86 -3.46 114.38 114.92 1gjw h ARG 205 Ca 0.30 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.55 1gjw h ARG 205 Cb 0.17 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.66 1gjw h ARG 205 CO -0.17 0.00 -0.41 0.95 2.80 0.00 0.00 179.97 183.14 1gjw s THR 206 N -5.03 1.39 0.10 0.20 -4.23 -1.23 -2.36 115.64 104.48 1gjw s THR 206 Ca -0.05 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.46 1gjw s THR 206 Cb 0.17 -2.14 0.08 0.00 1.34 0.00 0.00 72.50 71.96 1gjw s THR 206 CO 0.68 0.00 0.67 0.00 -0.54 0.00 0.00 174.62 175.43 1gjw s ALA 207 N -2.83 -1.67 0.87 3.99 0.00 -0.57 -4.80 121.76 116.75 1gjw s ALA 207 Ca 0.19 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1gjw s ALA 207 Cb -0.00 0.67 0.12 0.00 0.00 0.00 0.00 23.12 23.91 1gjw s ALA 207 CO 0.12 -0.70 1.16 0.00 0.00 0.00 0.00 175.76 176.33 1gjw s ALA 208 N -3.31 1.67 0.49 0.00 0.00 -0.07 -0.29 121.76 120.24 1gjw s ALA 208 Ca 0.01 0.62 0.15 0.00 0.00 0.00 0.00 51.96 52.73 1gjw s ALA 208 Cb -0.01 -3.44 1.15 0.00 0.00 0.00 0.00 23.12 20.82 1gjw s ALA 208 CO -0.10 -2.51 2.09 0.00 0.00 0.00 0.00 175.76 175.24 1gjw h ARG 209 N -1.51 0.05 -1.14 0.00 2.47 -1.84 -2.61 114.38 109.79 1gjw h ARG 209 Ca -0.44 -0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.69 1gjw h ARG 209 Cb 1.27 -0.01 -0.41 0.00 -1.65 0.00 0.00 29.97 29.17 1gjw h ARG 209 CO 0.44 0.09 -0.60 -0.40 0.56 0.00 0.00 179.97 180.06 1gjw n ASP 210 N -4.47 5.13 -4.58 7.04 5.75 -1.26 -4.68 116.55 119.47 1gjw n ASP 210 Ca -0.02 -3.74 -0.46 0.00 -0.01 0.00 0.00 54.79 50.56 1gjw n ASP 210 Cb 0.14 -0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1gjw n ASP 210 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1gjw n SER 211 N -0.62 1.27 0.25 -1.12 2.88 -0.99 -4.85 113.62 110.46 1gjw n SER 211 Ca 0.44 1.17 0.17 0.00 -1.33 0.00 0.00 58.87 59.32 1gjw n SER 211 Cb 0.79 -1.27 0.90 0.00 -0.75 0.00 0.00 64.21 63.89 1gjw n SER 211 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1gjw h ASP 212 N 2.35 0.00 0.34 -3.46 3.32 -1.05 -1.55 116.42 116.36 1gjw h ASP 212 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1gjw h ASP 212 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1gjw h ASP 212 CO 0.63 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 178.33 1gjw n LEU 213 N -3.65 0.22 -0.19 1.55 4.77 -1.26 -3.37 117.00 115.07 1gjw n LEU 213 Ca -0.00 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.45 1gjw n LEU 213 Cb 0.24 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1gjw n LEU 213 CO 0.25 -0.49 0.77 0.40 -1.33 0.00 0.00 177.39 177.00 1gjw h ILE 214 N 0.00 1.27 -0.54 -0.08 2.04 -1.52 -0.21 117.51 118.47 1gjw h ILE 214 Ca 0.00 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 64.65 1gjw h ILE 214 Cb 0.17 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1gjw h ILE 214 CO 0.00 0.44 0.32 0.03 0.00 0.00 0.00 178.15 178.94 1gjw h ARG 215 N 0.94 0.61 0.00 2.37 3.08 -1.80 -1.60 114.38 117.98 1gjw h ARG 215 Ca 0.15 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 1gjw h ARG 215 Cb 0.64 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1gjw h ARG 215 CO 0.04 0.40 -1.45 0.39 -1.07 0.00 0.00 179.97 178.29 1gjw n GLU 216 N -4.79 0.63 -3.16 0.04 -0.58 -1.23 -4.58 120.64 106.97 1gjw n GLU 216 Ca 0.04 0.08 -0.21 0.00 -0.42 0.00 0.00 57.16 56.65 1gjw n GLU 216 Cb 0.08 -1.73 -0.04 0.00 -0.57 0.00 0.00 31.44 29.18 1gjw n GLU 216 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1gjw n HIS 217 N -2.66 0.82 0.31 -0.32 8.25 -0.09 -4.91 115.22 116.61 1gjw n HIS 217 Ca -0.06 -3.82 0.19 0.00 -0.26 0.00 0.00 57.72 53.77 1gjw n HIS 217 Cb 0.69 -0.42 1.06 0.00 1.12 0.00 0.00 29.99 32.44 1gjw n HIS 217 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1gjw h PRO 218 N 3.19 0.00 -0.06 -0.41 0.13 -1.45 -1.06 132.00 132.35 1gjw h PRO 218 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1gjw h PRO 218 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1gjw h PRO 218 CO 0.56 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.93 1gjw n ASP 219 N -3.36 0.91 -0.47 1.44 5.75 -1.26 -3.28 116.55 116.28 1gjw n ASP 219 Ca -0.02 -1.46 0.14 0.00 -0.01 0.00 0.00 54.79 53.44 1gjw n ASP 219 Cb 0.13 -0.03 0.52 0.00 -1.03 0.00 0.00 41.12 40.71 1gjw n ASP 219 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1gjw n TRP 220 N -0.23 0.03 -4.39 2.11 7.02 -0.40 -4.85 117.44 116.73 1gjw n TRP 220 Ca 0.18 -0.01 -0.26 0.00 -1.02 0.00 0.00 57.50 56.39 1gjw n TRP 220 Cb 0.23 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.03 1gjw n TRP 220 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1gjw s PHE 221 N -1.97 2.53 0.23 -5.99 0.40 -1.21 0.63 117.98 112.61 1gjw s PHE 221 Ca 0.38 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 1gjw s PHE 221 Cb 0.21 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1gjw s PHE 221 CO 0.33 0.43 0.24 0.71 0.70 0.00 0.00 175.22 177.62 1gjw s TYR 222 N -2.59 3.23 -0.00 0.36 1.51 -1.26 -4.83 117.35 113.76 1gjw s TYR 222 Ca 0.36 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1gjw s TYR 222 Cb 0.03 -1.47 -0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1gjw s TYR 222 CO 0.19 0.50 0.02 -1.58 -1.11 0.00 0.00 175.55 173.58 1gjw s TRP 223 N -2.03 0.04 0.10 2.71 0.52 -1.26 -4.12 118.94 114.90 1gjw s TRP 223 Ca 0.33 -0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.41 1gjw s TRP 223 Cb -0.09 -0.04 -0.04 0.00 -1.15 0.00 0.00 33.47 32.16 1gjw s TRP 223 CO 0.26 -0.08 -0.09 0.96 0.02 0.00 0.00 176.95 178.03 1gjw s ILE 224 N -0.43 0.86 0.16 2.03 -4.36 -0.16 -1.09 121.20 118.20 1gjw s ILE 224 Ca -0.05 -1.74 -0.31 0.00 -0.26 0.00 0.00 60.65 58.29 1gjw s ILE 224 Cb -0.03 -1.46 -0.09 0.00 1.25 0.00 0.00 42.46 42.13 1gjw s ILE 224 CO -0.00 -0.67 1.42 -0.54 0.24 0.00 0.00 174.94 175.39 1gjw s LYS 225 N -3.14 4.30 0.28 0.37 1.02 -0.75 -1.26 119.74 120.56 1gjw s LYS 225 Ca 0.08 2.16 0.01 0.00 0.02 0.00 0.00 55.97 58.24 1gjw s LYS 225 Cb -0.00 -3.20 0.64 0.00 -0.52 0.00 0.00 37.83 34.74 1gjw s LYS 225 CO -0.01 -0.44 1.70 0.28 -0.92 0.00 0.00 175.35 175.96 1gjw h VAL 226 N 4.02 0.51 -0.21 3.17 2.07 -1.72 0.52 116.25 124.61 1gjw h VAL 226 Ca -0.43 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1gjw h VAL 226 Cb 1.21 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1gjw h VAL 226 CO 0.85 0.07 0.52 -0.08 0.02 0.00 0.00 177.57 178.95 1gjw h GLU 227 N 0.39 0.00 -0.44 1.57 4.57 -1.91 0.28 114.58 119.04 1gjw h GLU 227 Ca 0.51 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.69 1gjw h GLU 227 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1gjw h GLU 227 CO -0.51 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 177.71 1gjw n GLU 228 N -3.13 2.55 0.20 1.92 -0.58 0.18 -4.60 120.64 117.18 1gjw n GLU 228 Ca 0.03 -2.35 -0.14 0.00 -0.42 0.00 0.00 57.16 54.27 1gjw n GLU 228 Cb 0.62 -1.52 -0.08 0.00 -0.57 0.00 0.00 31.44 29.89 1gjw n GLU 228 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1gjw h LEU 229 N 4.45 -0.41 -0.88 -4.62 5.85 -0.45 -2.90 115.31 116.35 1gjw h LEU 229 Ca 0.00 -0.10 0.17 0.00 0.84 0.00 0.00 57.88 58.79 1gjw h LEU 229 Cb 0.99 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 42.02 1gjw h LEU 229 CO 0.00 -0.13 0.44 0.00 -0.34 0.00 0.00 178.44 178.41 1gjw h ALA 230 N -0.16 1.37 -0.42 1.25 0.00 -1.81 -2.62 119.26 116.87 1gjw h ALA 230 Ca -0.05 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1gjw h ALA 230 Cb 0.49 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1gjw h ALA 230 CO 0.08 -0.16 0.05 -0.25 0.00 0.00 0.00 179.25 178.97 1gjw n ASP 231 N -4.91 4.14 -4.63 0.00 8.00 -1.24 -4.94 116.55 112.97 1gjw n ASP 231 Ca 0.19 -3.16 -0.43 0.00 0.71 0.00 0.00 54.79 52.10 1gjw n ASP 231 Cb 0.52 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 1gjw n ASP 231 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1gjw s TYR 232 N -2.92 2.75 0.08 1.24 5.04 -0.99 -4.97 117.35 117.57 1gjw s TYR 232 Ca 0.47 0.90 -0.16 0.00 -2.44 0.00 0.00 57.07 55.84 1gjw s TYR 232 Cb 0.38 -3.94 0.03 0.00 0.35 0.00 0.00 41.96 38.79 1gjw s TYR 232 CO 0.09 -1.56 0.37 0.95 -1.34 0.00 0.00 175.55 174.06 1gjw s THR 233 N 4.34 0.07 -0.10 4.34 -4.23 -1.26 -5.00 115.64 113.79 1gjw s THR 233 Ca 0.54 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 60.15 1gjw s THR 233 Cb -0.15 -1.07 -0.06 0.00 1.34 0.00 0.00 72.50 72.56 1gjw s THR 233 CO 0.23 -0.34 1.89 -2.16 -0.54 0.00 0.00 174.62 173.70 1gjw s PRO 234 N -3.13 3.82 -0.11 3.99 0.04 -1.26 -4.90 135.00 133.44 1gjw s PRO 234 Ca -0.01 2.16 -0.33 0.00 0.04 0.00 0.00 61.00 62.86 1gjw s PRO 234 Cb 0.01 -4.15 -0.10 0.00 0.04 0.00 0.00 34.50 30.29 1gjw s PRO 234 CO -0.07 -1.29 1.98 -0.35 0.04 0.00 0.00 177.00 177.30 1gjw n PRO 235 N 7.79 2.15 -2.26 0.56 -0.04 -1.26 -4.91 135.00 137.03 1gjw n PRO 235 Ca 0.21 0.75 -0.31 0.00 -0.04 0.00 0.00 63.50 64.12 1gjw n PRO 235 Cb 0.43 -2.77 -0.01 0.00 -0.04 0.00 0.00 33.50 31.12 1gjw n PRO 235 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1gjw s ARG 236 N 4.69 3.71 -0.44 0.54 0.52 -1.26 -4.76 118.95 121.95 1gjw s ARG 236 Ca 0.95 0.69 0.05 0.00 -0.52 0.00 0.00 55.73 56.90 1gjw s ARG 236 Cb -0.62 -2.18 0.19 0.00 0.52 0.00 0.00 34.95 32.86 1gjw s ARG 236 CO 0.48 -0.36 0.49 0.00 0.02 0.00 0.00 175.30 175.93 1gjw n ALA 237 N -2.15 1.35 -0.15 2.13 0.00 -1.26 -4.96 120.51 115.46 1gjw n ALA 237 Ca 0.05 -2.51 0.28 0.00 0.00 0.00 0.00 53.44 51.26 1gjw n ALA 237 Cb 0.54 -0.98 0.72 0.00 0.00 0.00 0.00 19.45 19.73 1gjw n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1gjw h GLU 238 N 5.19 0.00 0.00 0.00 4.39 -1.96 0.24 114.58 122.43 1gjw h GLU 238 Ca 0.17 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1gjw h GLU 238 Cb 0.96 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1gjw h GLU 238 CO 0.29 0.00 -0.05 1.05 -1.16 0.00 0.00 179.01 179.13 1gjw h GLU 239 N 0.00 0.00 -6.51 2.33 9.09 -2.04 -3.44 114.58 114.01 1gjw h GLU 239 Ca 0.40 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 59.32 1gjw h GLU 239 Cb 1.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.80 1gjw h GLU 239 CO -0.00 0.05 -0.17 -0.51 0.05 0.00 0.00 179.01 178.42 1gjw s LEU 240 N -6.34 4.02 0.86 3.06 1.43 0.84 -5.08 118.68 117.47 1gjw s LEU 240 Ca 0.01 0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 1gjw s LEU 240 Cb 0.09 -3.39 0.11 0.00 0.03 0.00 0.00 46.19 43.03 1gjw s LEU 240 CO 0.57 -0.26 1.11 -2.84 0.23 0.00 0.00 176.35 175.15 1gjw s PRO 241 N -4.05 1.52 -0.81 1.29 0.02 -1.26 -4.93 135.00 126.78 1gjw s PRO 241 Ca 0.41 1.26 -0.22 0.00 0.02 0.00 0.00 61.00 62.47 1gjw s PRO 241 Cb -0.10 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.70 1gjw s PRO 241 CO 0.34 -2.19 1.11 0.12 -0.33 0.00 0.00 177.00 176.06 1gjw s PHE 242 N -2.79 2.78 0.04 6.54 5.36 -1.26 -4.71 117.98 123.94 1gjw s PHE 242 Ca 0.64 -0.84 -0.27 0.00 -0.96 0.00 0.00 56.93 55.50 1gjw s PHE 242 Cb -0.20 -4.37 0.09 0.00 -0.34 0.00 0.00 43.02 38.20 1gjw s PHE 242 CO 0.57 -1.67 1.22 -1.59 -1.46 0.00 0.00 175.22 172.30 1gjw s LYS 243 N 3.84 0.64 -0.07 10.12 -2.85 -1.12 -4.92 119.74 125.38 1gjw s LYS 243 Ca 0.30 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.56 1gjw s LYS 243 Cb -0.10 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 1gjw s LYS 243 CO 0.01 -0.30 1.13 0.08 0.10 0.00 0.00 175.35 176.37 1gjw s VAL 244 N -2.04 4.44 0.59 1.79 1.01 -1.26 0.15 120.40 125.07 1gjw s VAL 244 Ca 0.28 1.74 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 1gjw s VAL 244 Cb -0.01 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1gjw s VAL 244 CO 0.01 0.01 1.25 -2.16 0.00 0.00 0.00 175.10 174.21 1gjw s PRO 245 N 2.07 2.96 0.12 2.72 0.04 -1.26 -4.94 135.00 136.70 1gjw s PRO 245 Ca 0.53 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.53 1gjw s PRO 245 Cb -0.23 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1gjw s PRO 245 CO 0.21 -1.25 0.17 -0.40 0.04 0.00 0.00 177.00 175.77 1gjw n ASP 246 N -1.50 0.34 0.06 6.66 5.68 -1.26 -4.95 116.55 121.58 1gjw n ASP 246 Ca 0.13 -1.26 -0.12 0.00 -0.50 0.00 0.00 54.79 53.04 1gjw n ASP 246 Cb 0.48 -0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 40.30 1gjw n ASP 246 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1gjw h GLU 247 N 0.00 -0.06 -0.73 0.11 4.57 -1.99 -2.89 114.58 113.59 1gjw h GLU 247 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1gjw h GLU 247 Cb 0.23 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1gjw h GLU 247 CO 0.07 -0.04 0.47 -0.44 -1.18 0.00 0.00 179.01 177.89 1gjw h ASP 248 N -0.06 0.85 -0.01 1.04 3.32 -2.01 -2.28 116.42 117.27 1gjw h ASP 248 Ca 0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1gjw h ASP 248 Cb 0.06 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1gjw h ASP 248 CO -0.01 0.63 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.80 1gjw h GLU 249 N 0.99 0.06 -0.81 3.56 5.08 -1.93 -2.80 114.58 118.74 1gjw h GLU 249 Ca 0.26 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1gjw h GLU 249 Cb -0.09 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1gjw h GLU 249 CO -0.05 0.08 0.50 -0.07 -1.00 0.00 0.00 179.01 178.47 1gjw h LEU 250 N 0.06 0.95 -0.64 1.33 3.38 -1.20 0.78 115.31 119.98 1gjw h LEU 250 Ca 0.02 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1gjw h LEU 250 Cb 0.07 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1gjw h LEU 250 CO 0.00 0.72 0.38 -0.08 0.09 0.00 0.00 178.44 179.55 1gjw h GLU 251 N 1.10 0.71 0.28 1.13 4.81 -1.56 0.12 114.58 121.17 1gjw h GLU 251 Ca 0.29 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1gjw h GLU 251 Cb -0.07 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.15 1gjw h GLU 251 CO -0.06 0.47 -0.13 0.82 -0.73 0.00 0.00 179.01 179.38 1gjw h ILE 252 N 0.73 0.76 -0.40 2.32 2.04 -1.43 -3.14 117.51 118.39 1gjw h ILE 252 Ca 0.27 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1gjw h ILE 252 Cb 0.08 0.98 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 1gjw h ILE 252 CO -0.13 0.09 -0.20 0.40 0.00 0.00 0.00 178.15 178.31 1gjw h ILE 253 N -0.59 0.42 0.00 -0.67 2.04 -0.45 -0.86 117.51 117.39 1gjw h ILE 253 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1gjw h ILE 253 Cb 0.43 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1gjw h ILE 253 CO 0.06 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.99 1gjw n TYR 254 N -5.38 0.45 1.02 1.37 4.02 0.38 -1.51 117.16 117.52 1gjw n TYR 254 Ca 0.02 0.22 0.12 0.00 -0.01 0.00 0.00 57.90 58.25 1gjw n TYR 254 Cb 0.29 -0.85 0.10 0.00 -0.02 0.00 0.00 39.34 38.86 1gjw n TYR 254 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1gjw n ASN 255 N -1.95 2.74 -4.78 7.72 3.02 -0.34 -4.74 115.26 116.94 1gjw n ASN 255 Ca 0.00 -1.88 -0.37 0.00 -0.03 0.00 0.00 54.58 52.30 1gjw n ASN 255 Cb 0.08 0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 1gjw n ASN 255 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gjw s LYS 256 N -2.10 4.51 0.33 3.52 -0.14 -0.57 -4.96 119.74 120.33 1gjw s LYS 256 Ca 0.26 1.42 0.07 0.00 -1.36 0.00 0.00 55.97 56.36 1gjw s LYS 256 Cb 0.20 -2.80 0.58 0.00 -1.68 0.00 0.00 37.83 34.13 1gjw s LYS 256 CO 0.36 0.19 1.80 1.49 -0.76 0.00 0.00 175.35 178.43 1gjw h GLU 257 N 3.12 0.31 -0.05 1.68 4.57 -1.92 -2.38 114.58 119.91 1gjw h GLU 257 Ca -0.47 -0.10 -0.17 0.00 -1.18 0.00 0.00 59.36 57.44 1gjw h GLU 257 Cb 1.20 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1gjw h GLU 257 CO 0.65 0.54 -0.71 -2.95 -1.18 0.00 0.00 179.01 175.36 1gjw h ASN 258 N 0.28 0.33 -0.42 1.04 -1.07 -1.94 -2.17 115.58 111.64 1gjw h ASN 258 Ca 0.05 -0.22 -0.14 0.00 0.07 0.00 0.00 56.30 56.06 1gjw h ASN 258 Cb 0.58 -0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 36.72 1gjw h ASN 258 CO 0.04 0.94 -0.26 0.58 0.07 0.00 0.00 177.43 178.79 1gjw h VAL 259 N 0.19 1.27 -0.58 6.14 2.07 -1.80 -1.74 116.25 121.79 1gjw h VAL 259 Ca -0.02 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1gjw h VAL 259 Cb 1.27 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1gjw h VAL 259 CO 0.11 0.49 0.23 0.11 0.02 0.00 0.00 177.57 178.53 1gjw h LYS 260 N 0.80 0.85 -0.29 1.57 1.57 -1.25 0.78 116.57 120.60 1gjw h LYS 260 Ca 0.10 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1gjw h LYS 260 Cb 0.84 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1gjw h LYS 260 CO 0.07 0.69 -0.40 0.00 -0.57 0.00 0.00 179.45 179.25 1gjw h ARG 261 N 0.84 0.69 0.55 3.15 3.08 -1.19 -2.82 114.38 118.67 1gjw h ARG 261 Ca 0.20 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1gjw h ARG 261 Cb 0.16 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1gjw h ARG 261 CO -0.02 0.96 -0.38 1.25 -1.07 0.00 0.00 179.97 180.72 1gjw h HIS 262 N 0.56 -1.00 -0.93 3.04 2.76 -0.37 -2.25 115.15 116.97 1gjw h HIS 262 Ca 0.05 -0.01 0.26 0.00 -2.20 0.00 0.00 60.37 58.47 1gjw h HIS 262 Cb 0.93 0.37 -0.04 0.00 1.55 0.00 0.00 27.41 30.21 1gjw h HIS 262 CO 0.04 -0.56 0.66 -0.07 -1.30 0.00 0.00 177.93 176.71 1gjw h LEU 263 N -0.89 0.04 0.00 0.26 3.38 -0.84 0.49 115.31 117.76 1gjw h LEU 263 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1gjw h LEU 263 Cb 0.74 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1gjw h LEU 263 CO 0.04 0.01 0.00 1.17 0.09 0.00 0.00 178.44 179.75 1gjw n LYS 264 N -4.29 0.47 0.13 1.13 3.00 -0.85 -3.48 118.16 114.27 1gjw n LYS 264 Ca 0.19 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.63 1gjw n LYS 264 Cb 0.96 -1.50 0.30 0.00 0.00 0.00 0.00 35.03 34.79 1gjw n LYS 264 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1gjw h LYS 265 N 0.00 0.00 -7.15 1.64 1.57 -0.79 -3.47 116.57 108.37 1gjw h LYS 265 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1gjw h LYS 265 Cb 0.26 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.60 1gjw h LYS 265 CO 0.00 0.00 0.31 -0.06 -0.57 0.00 0.00 179.45 179.13 1gjw s PHE 266 N -3.15 3.53 0.32 -1.35 0.08 -1.23 -1.81 117.98 114.37 1gjw s PHE 266 Ca 0.09 1.25 0.03 0.00 0.12 0.00 0.00 56.93 58.42 1gjw s PHE 266 Cb 0.10 -2.64 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 1gjw s PHE 266 CO 0.64 -0.41 0.16 0.95 -0.10 0.00 0.00 175.22 176.46 1gjw s THR 267 N -2.77 0.37 0.65 0.64 -4.23 -0.25 -4.84 115.64 105.21 1gjw s THR 267 Ca 0.55 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 1gjw s THR 267 Cb -0.10 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1gjw s THR 267 CO 0.40 0.00 1.04 -0.76 -0.54 0.00 0.00 174.62 174.76 1gjw s LEU 268 N -3.40 3.08 0.87 4.79 1.43 -1.26 -4.37 118.68 119.82 1gjw s LEU 268 Ca 0.35 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 1gjw s LEU 268 Cb 0.05 -4.09 0.11 0.00 0.03 0.00 0.00 46.19 42.29 1gjw s LEU 268 CO 0.18 -1.11 1.14 -2.65 0.23 0.00 0.00 176.35 174.14 1gjw n PRO 269 N -2.84 -0.16 0.27 1.29 -0.02 -1.26 -4.79 135.00 127.48 1gjw n PRO 269 Ca 0.06 0.03 0.10 0.00 -2.02 0.00 0.00 63.50 61.67 1gjw n PRO 269 Cb 0.56 -2.38 0.71 0.00 -0.02 0.00 0.00 33.50 32.36 1gjw n PRO 269 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1gjw h PRO 270 N -1.43 0.00 0.00 0.52 0.13 -1.96 -2.03 132.00 127.23 1gjw h PRO 270 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1gjw h PRO 270 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1gjw h PRO 270 CO 0.43 0.05 -0.38 -2.95 -0.23 0.00 0.00 178.00 174.91 1gjw h ASN 271 N 0.00 0.00 0.49 1.44 7.08 -1.89 -2.75 115.58 119.95 1gjw h ASN 271 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1gjw h ASN 271 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.33 1gjw h ASN 271 CO 0.01 0.38 -0.77 0.18 -2.08 0.00 0.00 177.43 175.15 1gjw n LEU 272 N -3.99 0.63 0.01 6.14 4.77 -0.80 -3.46 117.00 120.30 1gjw n LEU 272 Ca -0.02 -0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 1gjw n LEU 272 Cb 0.43 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 1gjw n LEU 272 CO 0.38 0.07 -0.29 0.40 -1.33 0.00 0.00 177.39 176.63 1gjw h ILE 273 N 0.00 1.16 -1.52 -0.08 2.04 -1.24 -3.44 117.51 114.43 1gjw h ILE 273 Ca 0.00 -2.42 -0.30 0.00 1.00 0.00 0.00 64.86 63.14 1gjw h ILE 273 Cb 0.63 2.83 -0.25 0.00 -0.74 0.00 0.00 36.82 39.30 1gjw h ILE 273 CO 0.00 0.69 -0.66 -0.62 0.00 0.00 0.00 178.15 177.56 1gjw s ASP 274 N -6.99 -0.29 0.32 1.72 -1.08 -1.06 -5.03 116.67 104.27 1gjw s ASP 274 Ca -0.19 -2.04 0.09 0.00 -0.52 0.00 0.00 52.55 49.89 1gjw s ASP 274 Cb 0.03 1.05 0.94 0.00 -1.46 0.00 0.00 42.92 43.48 1gjw s ASP 274 CO 0.77 -0.12 1.64 -0.65 0.52 0.00 0.00 175.17 177.33 1gjw h PRO 275 N 5.60 0.20 -0.19 4.34 0.11 -1.77 0.13 132.00 140.42 1gjw h PRO 275 Ca 0.12 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.10 1gjw h PRO 275 Cb 1.05 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1gjw h PRO 275 CO 0.15 0.13 -0.36 0.37 -0.21 0.00 0.00 178.00 178.08 1gjw h GLN 276 N 0.21 0.58 -0.14 1.05 4.15 -1.94 -2.67 115.11 116.34 1gjw h GLN 276 Ca 0.66 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1gjw h GLN 276 Cb 1.48 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.21 1gjw h GLN 276 CO -0.68 0.98 0.07 -0.22 -1.93 0.00 0.00 178.83 177.06 1gjw h LYS 277 N 0.24 0.20 -0.16 1.69 3.64 -1.44 -2.42 116.57 118.33 1gjw h LYS 277 Ca 0.01 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1gjw h LYS 277 Cb 0.96 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.67 1gjw h LYS 277 CO 0.08 0.24 -0.52 2.35 -2.27 0.00 0.00 179.45 179.33 1gjw h TRP 278 N 0.11 -1.54 -0.99 1.91 -0.00 -0.84 -0.58 115.95 114.03 1gjw h TRP 278 Ca 0.05 0.06 0.22 0.00 -0.00 0.00 0.00 58.89 59.22 1gjw h TRP 278 Cb 0.10 0.69 -0.10 0.00 -0.00 0.00 0.00 29.16 29.85 1gjw h TRP 278 CO -0.03 -0.53 0.62 0.93 -0.00 0.00 0.00 178.44 179.43 1gjw h GLU 279 N -0.55 0.58 0.24 2.65 4.39 -1.37 0.82 114.58 121.34 1gjw h GLU 279 Ca 0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1gjw h GLU 279 Cb 0.67 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1gjw h GLU 279 CO -0.45 0.38 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.45 1gjw h LYS 280 N 0.59 -0.31 -0.78 2.33 3.11 -0.63 -3.19 116.57 117.70 1gjw h LYS 280 Ca 0.57 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.39 1gjw h LYS 280 Cb 1.13 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 32.39 1gjw h LYS 280 CO -0.33 -0.21 0.32 -0.84 -2.81 0.00 0.00 179.45 175.58 1gjw h ILE 281 N -0.33 1.25 -0.60 2.00 3.07 -0.68 -2.64 117.51 119.59 1gjw h ILE 281 Ca -0.03 -0.78 0.17 0.00 1.55 0.00 0.00 64.86 65.77 1gjw h ILE 281 Cb 0.25 0.31 -0.02 0.00 -0.27 0.00 0.00 36.82 37.09 1gjw h ILE 281 CO 0.05 0.32 0.70 0.50 -1.05 0.00 0.00 178.15 178.68 1gjw h LYS 282 N 1.12 0.00 -0.42 0.16 3.64 0.58 0.49 116.57 122.14 1gjw h LYS 282 Ca 0.26 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.42 1gjw h LYS 282 Cb 0.19 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.87 1gjw h LYS 282 CO -0.02 0.00 -0.03 -2.13 -2.27 0.00 0.00 179.45 174.99 1gjw n ARG 283 N -3.52 1.91 -4.12 1.90 0.63 -0.99 -4.99 116.66 107.48 1gjw n ARG 283 Ca 0.12 -3.21 -0.25 0.00 -0.92 0.00 0.00 57.85 53.59 1gjw n ARG 283 Cb 0.91 -1.86 -0.06 0.00 0.45 0.00 0.00 32.46 31.91 1gjw n ARG 283 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1gjw s GLU 284 N -3.28 2.79 0.31 -0.14 2.02 0.17 -5.07 118.70 115.51 1gjw s GLU 284 Ca 0.46 -1.00 -0.21 0.00 0.02 0.00 0.00 54.97 54.25 1gjw s GLU 284 Cb 0.42 -2.55 -0.09 0.00 0.10 0.00 0.00 34.13 32.01 1gjw s GLU 284 CO 0.00 0.45 0.84 -1.83 0.02 0.00 0.00 175.26 174.74 1gjw s GLU 285 N -3.33 4.30 0.00 1.61 4.04 -1.26 -4.95 118.70 119.11 1gjw s GLU 285 Ca 0.31 1.02 0.00 0.00 0.04 0.00 0.00 54.97 56.34 1gjw s GLU 285 Cb -0.09 -2.63 0.00 0.00 0.02 0.00 0.00 34.13 31.43 1gjw s GLU 285 CO 0.23 0.23 0.00 0.41 -1.84 0.00 0.00 175.26 174.29 1gjw n GLY 286 N 0.19 2.56 3.69 -3.83 0.00 -1.26 -5.01 105.19 101.52 1gjw n GLY 286 Ca 0.02 -2.09 -0.44 0.00 0.00 0.00 0.00 46.02 43.51 1gjw n GLY 286 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gjw n ASN 287 N 0.00 3.78 -0.18 1.61 2.85 -1.26 -4.88 115.26 117.18 1gjw n ASN 287 Ca 0.00 1.01 0.03 0.00 -0.11 0.00 0.00 54.58 55.51 1gjw n ASN 287 Cb 0.00 -1.50 0.30 0.00 1.24 0.00 0.00 39.78 39.81 1gjw n ASN 287 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1gjw h ILE 288 N 4.44 1.14 -0.16 -1.44 6.09 -1.93 -2.41 117.51 123.24 1gjw h ILE 288 Ca -0.46 -0.31 -0.18 0.00 -1.37 0.00 0.00 64.86 62.54 1gjw h ILE 288 Cb 1.23 0.17 -0.00 0.00 0.47 0.00 0.00 36.82 38.69 1gjw h ILE 288 CO 0.94 0.16 -0.65 0.25 -3.07 0.00 0.00 178.15 175.78 1gjw h LEU 289 N 0.89 0.68 -1.06 2.19 5.85 -1.89 -1.72 115.31 120.25 1gjw h LEU 289 Ca 0.27 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1gjw h LEU 289 Cb -0.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1gjw h LEU 289 CO -0.07 1.15 0.08 -0.33 -0.34 0.00 0.00 178.44 178.93 1gjw h GLU 290 N 0.43 0.75 -0.31 1.25 5.08 -1.86 -0.74 114.58 119.19 1gjw h GLU 290 Ca -0.01 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1gjw h GLU 290 Cb 1.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1gjw h GLU 290 CO 0.12 0.71 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.67 1gjw h LEU 291 N 0.72 0.62 -0.71 1.33 3.38 -1.29 -2.01 115.31 117.34 1gjw h LEU 291 Ca 0.15 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1gjw h LEU 291 Cb 0.33 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1gjw h LEU 291 CO 0.00 0.86 0.11 0.40 0.09 0.00 0.00 178.44 179.90 1gjw h ILE 292 N 0.37 1.26 -0.20 1.22 2.04 -0.98 0.14 117.51 121.37 1gjw h ILE 292 Ca 0.07 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1gjw h ILE 292 Cb 0.60 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1gjw h ILE 292 CO 0.04 0.39 0.06 0.58 0.00 0.00 0.00 178.15 179.22 1gjw h VAL 293 N 1.02 1.18 -0.06 1.67 2.07 -1.12 0.33 116.25 121.35 1gjw h VAL 293 Ca 0.20 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1gjw h VAL 293 Cb 0.44 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1gjw h VAL 293 CO 0.01 0.18 -0.03 0.50 0.02 0.00 0.00 177.57 178.26 1gjw h LYS 294 N 0.15 0.13 -0.02 1.57 3.64 -1.16 0.25 116.57 121.14 1gjw h LYS 294 Ca 0.06 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1gjw h LYS 294 Cb 0.22 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1gjw h LYS 294 CO -0.00 0.50 -0.88 0.93 -2.27 0.00 0.00 179.45 177.73 1gjw h GLU 295 N -0.24 0.41 0.00 1.90 4.39 -0.74 -3.37 114.58 116.93 1gjw h GLU 295 Ca 0.01 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1gjw h GLU 295 Cb 0.46 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1gjw h GLU 295 CO 0.01 1.07 -0.57 1.19 -1.16 0.00 0.00 179.01 179.55 1gjw n PHE 296 N -3.77 0.00 -2.65 4.33 3.01 0.11 -5.02 117.46 113.48 1gjw n PHE 296 Ca -0.06 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.22 1gjw n PHE 296 Cb 0.80 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 40.24 1gjw n PHE 296 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gjw n GLY 297 N 1.38 -0.36 3.26 1.37 0.00 0.88 -4.99 105.19 106.74 1gjw n GLY 297 Ca 0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1gjw n GLY 297 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gjw s ILE 298 N -3.00 1.00 0.10 -0.61 -4.36 -1.25 -2.02 121.20 111.07 1gjw s ILE 298 Ca 0.14 -2.03 -0.17 0.00 -0.26 0.00 0.00 60.65 58.34 1gjw s ILE 298 Cb -0.06 -2.00 0.04 0.00 1.25 0.00 0.00 42.46 41.68 1gjw s ILE 298 CO 0.18 -0.61 0.41 -0.51 0.24 0.00 0.00 174.94 174.65 1gjw s ILE 299 N -3.44 0.07 0.44 8.37 2.07 -0.39 -3.38 121.20 124.95 1gjw s ILE 299 Ca 0.20 -0.54 -0.22 0.00 -1.41 0.00 0.00 60.65 58.68 1gjw s ILE 299 Cb 0.04 -1.11 -0.08 0.00 0.13 0.00 0.00 42.46 41.44 1gjw s ILE 299 CO 0.03 -0.30 1.08 0.42 -1.91 0.00 0.00 174.94 174.26 1gjw s THR 300 N -3.46 3.55 0.58 4.00 -4.23 -1.26 -0.99 115.64 113.84 1gjw s THR 300 Ca 0.01 1.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.55 1gjw s THR 300 Cb 0.01 -3.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1gjw s THR 300 CO -0.09 -0.07 0.93 -2.16 -0.54 0.00 0.00 174.62 172.68 1gjw s PRO 301 N -2.78 3.29 0.51 3.99 0.04 -1.26 -4.85 135.00 133.94 1gjw s PRO 301 Ca 0.63 0.33 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 1gjw s PRO 301 Cb -0.22 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.02 1gjw s PRO 301 CO 0.27 -0.56 1.00 -1.25 0.04 0.00 0.00 177.00 176.50 1gjw s PRO 302 N -5.02 3.86 0.93 0.56 0.04 -1.26 -4.35 135.00 129.76 1gjw s PRO 302 Ca 0.53 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 1gjw s PRO 302 Cb -0.11 -2.12 0.17 0.00 0.04 0.00 0.00 34.50 32.48 1gjw s PRO 302 CO 0.48 -0.35 1.25 0.20 0.04 0.00 0.00 177.00 178.62 1gjw s GLY 303 N -2.77 1.69 -0.01 0.56 0.00 -0.44 -4.80 107.32 101.55 1gjw s GLY 303 Ca 0.61 -0.96 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 1gjw s GLY 303 CO 0.28 -0.28 0.85 -0.11 0.00 0.00 0.00 173.10 173.84 1gjw s PHE 304 N -3.68 -0.40 0.50 1.90 -0.12 -1.26 -0.22 117.98 114.69 1gjw s PHE 304 Ca 0.69 0.36 -0.21 0.00 -0.05 0.00 0.00 56.93 57.73 1gjw s PHE 304 Cb -0.07 0.52 -0.09 0.00 -0.63 0.00 0.00 43.02 42.74 1gjw s PHE 304 CO 0.52 -0.56 0.75 0.45 -0.05 0.00 0.00 175.22 176.32 1gjw n SER 305 N -0.03 -0.01 -0.38 1.98 2.88 -1.26 -4.91 113.62 111.89 1gjw n SER 305 Ca -0.11 0.88 0.11 0.00 -1.33 0.00 0.00 58.87 58.42 1gjw n SER 305 Cb 0.61 -1.25 0.49 0.00 -0.75 0.00 0.00 64.21 63.31 1gjw n SER 305 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1gjw n ASP 306 N 0.46 1.16 -4.69 -3.46 5.75 -1.26 -4.79 116.55 109.73 1gjw n ASP 306 Ca 0.11 -1.55 -0.38 0.00 -0.01 0.00 0.00 54.79 52.96 1gjw n ASP 306 Cb 0.43 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 40.39 1gjw n ASP 306 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1gjw s LEU 307 N -1.69 4.18 0.48 -2.12 1.02 -1.26 -4.36 118.68 114.93 1gjw s LEU 307 Ca 0.34 0.50 -0.22 0.00 0.02 0.00 0.00 54.13 54.77 1gjw s LEU 307 Cb 0.18 -2.46 -0.07 0.00 0.02 0.00 0.00 46.19 43.85 1gjw s LEU 307 CO 0.28 -0.02 1.14 -0.51 0.02 0.00 0.00 176.35 177.26 1gjw s ILE 308 N 1.05 3.18 -1.48 -0.59 2.07 0.12 -3.03 121.20 122.52 1gjw s ILE 308 Ca 0.18 0.83 0.00 0.00 -1.41 0.00 0.00 60.65 60.25 1gjw s ILE 308 Cb -0.14 -3.40 0.00 0.00 0.13 0.00 0.00 42.46 39.05 1gjw s ILE 308 CO 0.07 -0.06 0.00 0.59 -1.91 0.00 0.00 174.94 173.63 1gjw n ASN 309 N -0.72 -4.69 -4.68 4.50 3.02 -1.26 -2.79 115.26 108.64 1gjw n ASN 309 Ca 0.08 0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 1gjw n ASN 309 Cb 0.49 -3.55 -0.03 0.00 -0.61 0.00 0.00 39.78 36.09 1gjw n ASN 309 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1gjw s ASP 310 N -2.74 6.96 0.14 6.41 -1.08 -1.17 -4.88 116.67 120.31 1gjw s ASP 310 Ca 0.00 1.87 0.20 0.00 -0.52 0.00 0.00 52.55 54.10 1gjw s ASP 310 Cb 0.00 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.74 1gjw s ASP 310 CO 0.00 -0.68 1.62 -0.81 0.52 0.00 0.00 175.17 175.82 1gjw n PRO 311 N 5.68 0.11 -2.02 4.34 -0.04 -1.26 -4.83 135.00 136.98 1gjw n PRO 311 Ca 0.12 0.33 -0.35 0.00 -0.04 0.00 0.00 63.50 63.56 1gjw n PRO 311 Cb 0.45 -1.70 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1gjw n PRO 311 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1gjw s GLN 312 N -3.16 3.04 0.83 0.54 -2.07 -1.26 -5.01 119.66 112.56 1gjw s GLN 312 Ca 0.06 1.61 -0.11 0.00 -1.82 0.00 0.00 55.36 55.10 1gjw s GLN 312 Cb 0.10 -1.96 0.09 0.00 -1.09 0.00 0.00 33.01 30.14 1gjw s GLN 312 CO 0.35 -1.10 1.09 -1.25 -1.32 0.00 0.00 175.29 173.07 1gjw s PRO 313 N -3.55 1.84 0.74 9.60 0.04 -1.26 -4.94 135.00 137.47 1gjw s PRO 313 Ca 0.72 0.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 1gjw s PRO 313 Cb -0.25 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1gjw s PRO 313 CO 0.33 -1.81 1.14 0.95 0.04 0.00 0.00 177.00 177.65 1gjw s THR 314 N -3.08 2.85 -0.93 1.26 -4.23 -1.26 -4.84 115.64 105.41 1gjw s THR 314 Ca 0.62 0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 61.32 1gjw s THR 314 Cb -0.16 -2.80 0.18 0.00 1.34 0.00 0.00 72.50 71.06 1gjw s THR 314 CO 0.55 -0.29 1.01 0.26 -0.54 0.00 0.00 174.62 175.61 1gjw s TRP 315 N -2.43 3.52 -0.32 3.99 0.51 0.70 -4.91 118.94 120.00 1gjw s TRP 315 Ca 0.67 -1.82 0.26 0.00 -2.12 0.00 0.00 56.10 53.10 1gjw s TRP 315 Cb -0.22 -4.06 1.10 0.00 -0.81 0.00 0.00 33.47 29.48 1gjw s TRP 315 CO 0.48 -1.23 1.79 -0.44 -0.51 0.00 0.00 176.95 177.04 1gjw h ASP 316 N 8.06 0.00 -0.24 2.95 3.32 -1.89 -1.41 116.42 127.21 1gjw h ASP 316 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1gjw h ASP 316 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1gjw h ASP 316 CO 0.96 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.58 1gjw n ASP 317 N -2.47 2.47 -4.16 6.45 5.75 -1.26 -4.77 116.55 118.56 1gjw n ASP 317 Ca 0.02 -1.84 -0.10 0.00 -0.01 0.00 0.00 54.79 52.86 1gjw n ASP 317 Cb 0.25 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.09 1gjw n ASP 317 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1gjw s VAL 318 N -1.70 0.08 0.21 2.12 -7.23 -1.16 -3.63 120.40 109.08 1gjw s VAL 318 Ca 0.35 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.51 1gjw s VAL 318 Cb 0.20 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1gjw s VAL 318 CO 0.29 -0.34 0.29 0.28 -0.31 0.00 0.00 175.10 175.30 1gjw s THR 319 N -4.08 0.02 0.12 5.32 -1.32 0.60 -1.33 115.64 114.97 1gjw s THR 319 Ca 0.28 -1.66 -0.03 0.00 -1.21 0.00 0.00 61.69 59.07 1gjw s THR 319 Cb 0.07 -2.25 -0.05 0.00 -1.51 0.00 0.00 72.50 68.77 1gjw s THR 319 CO 0.04 -0.08 0.33 -0.36 -2.21 0.00 0.00 174.62 172.34 1gjw s PHE 320 N -4.07 3.49 0.19 9.09 0.40 -1.26 -1.51 117.98 124.32 1gjw s PHE 320 Ca 0.28 0.45 -0.14 0.00 -0.60 0.00 0.00 56.93 56.91 1gjw s PHE 320 Cb 0.03 -1.92 -0.07 0.00 0.51 0.00 0.00 43.02 41.57 1gjw s PHE 320 CO 0.08 0.48 0.60 -0.51 0.70 0.00 0.00 175.22 176.57 1gjw s LEU 321 N -2.66 4.28 -0.94 -0.37 1.43 -0.99 -4.32 118.68 115.10 1gjw s LEU 321 Ca 0.39 1.13 -0.24 0.00 -1.03 0.00 0.00 54.13 54.38 1gjw s LEU 321 Cb -0.12 -3.49 0.05 0.00 0.03 0.00 0.00 46.19 42.66 1gjw s LEU 321 CO 0.26 0.03 1.37 -0.60 0.23 0.00 0.00 176.35 177.64 1gjw s ARG 322 N -2.23 3.48 0.43 1.70 3.52 0.21 -4.86 118.95 121.20 1gjw s ARG 322 Ca 0.42 -0.94 0.22 0.00 -0.13 0.00 0.00 55.73 55.30 1gjw s ARG 322 Cb -0.14 -5.01 0.95 0.00 -1.56 0.00 0.00 34.95 29.19 1gjw s ARG 322 CO 0.20 -2.16 1.86 -0.07 -0.81 0.00 0.00 175.30 174.31 1gjw h LEU 323 N 12.66 0.00 -8.45 -0.88 3.38 -1.93 -3.44 115.31 116.65 1gjw h LEU 323 Ca 0.07 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.52 1gjw h LEU 323 Cb 1.02 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.52 1gjw h LEU 323 CO 1.37 0.26 -0.82 -0.31 0.09 0.00 0.00 178.44 179.03 1gjw s TYR 324 N -3.82 1.55 0.22 1.13 1.51 -1.26 -1.76 117.35 114.92 1gjw s TYR 324 Ca -0.01 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 55.77 1gjw s TYR 324 Cb 0.12 -0.92 0.19 0.00 -0.11 0.00 0.00 41.96 41.23 1gjw s TYR 324 CO 0.65 0.07 1.51 -0.07 -1.11 0.00 0.00 175.55 176.60 1gjw h LEU 325 N 4.91 0.06-10.30 -1.29 3.38 -1.04 -3.46 115.31 107.57 1gjw h LEU 325 Ca -0.40 -0.04 -0.45 0.00 0.09 0.00 0.00 57.88 57.07 1gjw h LEU 325 Cb 1.17 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1gjw h LEU 325 CO 0.44 0.76 -0.32 1.51 0.09 0.00 0.00 178.44 180.92 1gjw s ASP 326 N -6.83 5.44 0.70 -0.43 3.84 -1.26 -5.03 116.67 113.10 1gjw s ASP 326 Ca -0.01 -0.52 -0.11 0.00 -0.00 0.00 0.00 52.55 51.91 1gjw s ASP 326 Cb 0.12 -0.71 0.01 0.00 -1.38 0.00 0.00 42.92 40.96 1gjw s ASP 326 CO 0.79 -0.66 1.07 -1.00 -0.00 0.00 0.00 175.17 175.37 1gjw s HIS 327 N -2.37 3.24 0.20 2.11 3.76 -1.26 -4.74 115.29 116.22 1gjw s HIS 327 Ca 0.51 1.23 -0.32 0.00 -0.15 0.00 0.00 55.06 56.33 1gjw s HIS 327 Cb -0.07 -2.94 -0.14 0.00 1.11 0.00 0.00 32.58 30.54 1gjw s HIS 327 CO 0.30 -1.20 1.42 -0.35 -0.85 0.00 0.00 174.74 174.07 1gjw n PRO 328 N -3.07 1.91 -0.07 8.40 -0.04 -1.26 -4.43 135.00 136.43 1gjw n PRO 328 Ca 0.07 0.68 -0.10 0.00 -0.04 0.00 0.00 63.50 64.11 1gjw n PRO 328 Cb 0.55 -2.35 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 1gjw n PRO 328 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1gjw h GLU 329 N 4.61 -0.35 0.00 0.54 4.57 -1.41 -1.02 114.58 121.51 1gjw h GLU 329 Ca -0.45 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1gjw h GLU 329 Cb 1.28 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1gjw h GLU 329 CO 0.79 -0.23 0.00 0.00 -1.18 0.00 0.00 179.01 178.38 1gjw n ALA 330 N -2.98 1.53 0.20 2.92 0.00 -1.26 -2.64 120.51 118.28 1gjw n ALA 330 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1gjw n ALA 330 Cb 0.35 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 1gjw n ALA 330 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gjw n SER 331 N -1.23 1.58 -0.32 0.00 7.64 -0.42 -4.67 113.62 116.20 1gjw n SER 331 Ca 0.03 -0.39 0.12 0.00 1.01 0.00 0.00 58.87 59.64 1gjw n SER 331 Cb 0.04 1.15 0.30 0.00 -1.01 0.00 0.00 64.21 64.69 1gjw n SER 331 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1gjw h LYS 332 N 0.00 0.56 -0.20 1.43 1.57 -1.22 -1.11 116.57 117.60 1gjw h LYS 332 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1gjw h LYS 332 Cb 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1gjw h LYS 332 CO 0.00 0.37 0.00 2.89 -0.57 0.00 0.00 179.45 182.14 1gjw n ARG 333 N -4.90 0.47 0.00 3.15 1.85 -1.26 -1.87 116.66 114.10 1gjw n ARG 333 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.07 1gjw n ARG 333 Cb 0.58 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.89 1gjw n ARG 333 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1gjw n PHE 334 N -0.18 0.00 -3.92 2.89 0.99 -0.42 -5.07 117.46 111.75 1gjw n PHE 334 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.12 1gjw n PHE 334 Cb 0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.48 1gjw n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1gjw s LEU 335 N -0.24 4.34 0.28 4.37 1.43 -0.78 -5.01 118.68 123.08 1gjw s LEU 335 Ca 0.00 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 1gjw s LEU 335 Cb 0.00 -2.64 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 1gjw s LEU 335 CO 0.00 0.25 1.08 -1.81 0.23 0.00 0.00 176.35 176.10 1gjw s ASP 336 N -2.00 7.30 0.69 2.29 1.01 -1.26 -4.95 116.67 119.74 1gjw s ASP 336 Ca 0.28 2.24 -0.17 0.00 0.71 0.00 0.00 52.55 55.61 1gjw s ASP 336 Cb -0.13 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 1gjw s ASP 336 CO 0.20 -0.11 0.90 -2.65 0.21 0.00 0.00 175.17 173.71 1gjw n PRO 337 N 1.21 0.58 -1.02 8.23 -0.02 -1.26 -2.01 135.00 140.70 1gjw n PRO 337 Ca -0.01 0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.71 1gjw n PRO 337 Cb 0.45 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1gjw n PRO 337 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1gjw n ASN 338 N -1.21 -3.81 -4.65 2.55 3.02 -1.26 -4.98 115.26 104.92 1gjw n ASN 338 Ca 0.13 0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 1gjw n ASN 338 Cb 0.49 -1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.25 1gjw n ASN 338 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1gjw s GLN 339 N -0.82 4.02 1.06 3.52 2.00 -0.85 -4.98 119.66 123.61 1gjw s GLN 339 Ca 0.00 2.23 -0.13 0.00 -2.00 0.00 0.00 55.36 55.46 1gjw s GLN 339 Cb 0.00 -4.08 0.23 0.00 0.80 0.00 0.00 33.01 29.95 1gjw s GLN 339 CO 0.00 -1.06 1.07 -2.14 -0.50 0.00 0.00 175.29 172.66 1gjw s PRO 340 N 4.47 -0.11 0.26 1.67 0.02 -1.26 -4.92 135.00 135.13 1gjw s PRO 340 Ca 0.80 0.61 -0.30 0.00 0.02 0.00 0.00 61.00 62.14 1gjw s PRO 340 Cb -0.35 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 1gjw s PRO 340 CO 0.34 -3.12 1.49 -2.14 -0.33 0.00 0.00 177.00 173.23 1gjw s PRO 341 N -4.79 4.23 0.16 5.54 0.02 -1.26 -4.97 135.00 133.92 1gjw s PRO 341 Ca 0.66 2.38 0.02 0.00 0.02 0.00 0.00 61.00 64.09 1gjw s PRO 341 Cb -0.21 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 1gjw s PRO 341 CO 0.60 -0.48 -0.02 1.52 -0.33 0.00 0.00 177.00 178.29 1gjw s TYR 342 N 0.03 1.17 -0.18 6.54 -0.85 -1.26 -4.61 117.35 118.19 1gjw s TYR 342 Ca 0.61 -0.97 -0.05 0.00 -0.52 0.00 0.00 57.07 56.13 1gjw s TYR 342 Cb -0.44 -0.66 -0.03 0.00 0.38 0.00 0.00 41.96 41.21 1gjw s TYR 342 CO 0.44 -0.16 0.01 0.08 -1.52 0.00 0.00 175.55 174.40 1gjw s VAL 343 N -3.61 4.22 0.21 -3.49 1.01 -1.26 -4.89 120.40 112.59 1gjw s VAL 343 Ca 0.21 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1gjw s VAL 343 Cb 0.06 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1gjw s VAL 343 CO 0.02 0.45 0.47 -0.22 0.00 0.00 0.00 175.10 175.83 1gjw s LEU 344 N 0.61 0.32 0.34 3.92 2.96 -1.26 -4.99 118.68 120.58 1gjw s LEU 344 Ca 0.00 -0.71 0.13 0.00 -0.22 0.00 0.00 54.13 53.33 1gjw s LEU 344 Cb -0.14 1.86 1.06 0.00 0.50 0.00 0.00 46.19 49.47 1gjw s LEU 344 CO 0.02 -1.06 1.63 1.88 -1.32 0.00 0.00 176.35 177.50 1gjw h TYR 345 N 2.28 0.70 -0.07 5.38 -1.99 -1.88 -0.98 116.97 120.39 1gjw h TYR 345 Ca -0.28 0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.43 1gjw h TYR 345 Cb 1.25 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.84 1gjw h TYR 345 CO 0.38 -0.30 -0.21 0.38 -0.00 0.00 0.00 178.16 178.41 1gjw h ASP 346 N 0.18 0.32 -0.88 3.88 2.03 -1.92 -2.95 116.42 117.08 1gjw h ASP 346 Ca 0.72 -0.60 0.09 0.00 -0.73 0.00 0.00 57.03 56.51 1gjw h ASP 346 Cb 1.69 -0.09 -0.06 0.00 -0.83 0.00 0.00 39.33 40.03 1gjw h ASP 346 CO -0.70 0.86 0.57 0.58 -1.03 0.00 0.00 179.24 179.53 1gjw h VAL 347 N -0.21 0.98 -0.18 4.15 2.07 -1.49 -2.81 116.25 118.76 1gjw h VAL 347 Ca -0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1gjw h VAL 347 Cb 0.83 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1gjw h VAL 347 CO 0.05 0.16 0.07 0.40 0.02 0.00 0.00 177.57 178.27 1gjw h ILE 348 N 0.89 1.16 -1.21 4.57 2.04 -1.29 -3.26 117.51 120.40 1gjw h ILE 348 Ca 0.40 -0.48 -0.75 0.00 1.00 0.00 0.00 64.86 65.03 1gjw h ILE 348 Cb 0.38 1.15 -0.14 0.00 -0.74 0.00 0.00 36.82 37.46 1gjw h ILE 348 CO -0.17 0.15 2.17 1.17 0.00 0.00 0.00 178.15 181.48 1gjw n LYS 349 N -4.85 3.58 0.18 2.37 4.81 -1.06 -4.75 118.16 118.44 1gjw n LYS 349 Ca -0.04 -3.42 0.18 0.00 -0.87 0.00 0.00 58.31 54.16 1gjw n LYS 349 Cb 0.12 -2.95 0.81 0.00 0.02 0.00 0.00 35.03 33.03 1gjw n LYS 349 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gjw h ALA 350 N 5.72 1.83 0.00 3.14 0.00 -1.44 0.23 119.26 128.74 1gjw h ALA 350 Ca 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1gjw h ALA 350 Cb 0.62 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1gjw h ALA 350 CO 1.65 -0.42 -0.13 0.66 0.00 0.00 0.00 179.25 181.01 1gjw h SER 351 N 0.00 0.00 0.00 0.00 4.64 -1.59 -3.13 113.55 113.46 1gjw h SER 351 Ca 0.11 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.17 1gjw h SER 351 Cb 0.71 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.75 1gjw h SER 351 CO -0.00 0.13 -2.00 0.29 -0.87 0.00 0.00 176.83 174.38 1gjw n LYS 352 N -3.67 1.49 -3.61 4.77 4.76 0.77 -4.81 118.16 117.86 1gjw n LYS 352 Ca -0.02 0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.16 1gjw n LYS 352 Cb 0.25 -1.37 -0.11 0.00 -1.84 0.00 0.00 35.03 31.96 1gjw n LYS 352 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1gjw n PHE 353 N -2.60 1.08 -2.57 2.13 3.01 -0.90 -5.08 117.46 112.53 1gjw n PHE 353 Ca -0.25 -3.79 -0.27 0.00 1.01 0.00 0.00 57.45 54.16 1gjw n PHE 353 Cb 0.96 -0.17 0.01 0.00 -0.01 0.00 0.00 39.48 40.27 1gjw n PHE 353 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1gjw s PRO 354 N -0.73 3.31 0.30 -1.08 0.04 -1.19 -4.61 135.00 131.04 1gjw s PRO 354 Ca 0.30 0.10 0.03 0.00 0.04 0.00 0.00 61.00 61.46 1gjw s PRO 354 Cb 0.01 -2.35 0.05 0.00 0.04 0.00 0.00 34.50 32.26 1gjw s PRO 354 CO -0.18 -0.37 0.41 0.41 0.04 0.00 0.00 177.00 177.31 1gjw n GLY 355 N -2.36 1.42 0.11 0.56 0.00 -1.26 -1.14 105.19 102.51 1gjw n GLY 355 Ca 0.02 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.05 1gjw n GLY 355 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gjw n LYS 356 N -1.71 0.28 -3.93 1.61 4.76 -1.26 -4.77 118.16 113.13 1gjw n LYS 356 Ca 0.08 -0.22 -0.30 0.00 -2.87 0.00 0.00 58.31 55.00 1gjw n LYS 356 Cb 0.28 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.84 1gjw n LYS 356 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1gjw s GLU 357 N -2.88 2.08 0.51 1.97 2.02 -1.26 -5.07 118.70 116.08 1gjw s GLU 357 Ca 0.11 -2.74 -0.23 0.00 0.02 0.00 0.00 54.97 52.13 1gjw s GLU 357 Cb 0.17 -3.35 -0.06 0.00 0.10 0.00 0.00 34.13 30.98 1gjw s GLU 357 CO 0.77 -1.14 1.35 -2.30 0.02 0.00 0.00 175.26 173.96 1gjw n PRO 358 N 2.93 1.81 -2.52 0.39 -0.02 -1.26 -0.48 135.00 135.85 1gjw n PRO 358 Ca 0.07 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 1gjw n PRO 358 Cb 0.33 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1gjw n PRO 358 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1gjw n ASN 359 N -0.67 4.91 -0.28 2.55 4.05 -0.73 -4.64 115.26 120.45 1gjw n ASN 359 Ca 0.09 -2.97 0.10 0.00 0.45 0.00 0.00 54.58 52.25 1gjw n ASN 359 Cb 0.43 -1.61 0.24 0.00 1.23 0.00 0.00 39.78 40.07 1gjw n ASN 359 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 1gjw h ARG 360 N 6.75 0.18 -0.31 1.20 2.47 -1.89 0.10 114.38 122.88 1gjw h ARG 360 Ca 0.41 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 59.09 1gjw h ARG 360 Cb 0.78 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1gjw h ARG 360 CO 1.49 0.12 0.08 1.49 0.56 0.00 0.00 179.97 183.71 1gjw h GLU 361 N 0.19 0.45 -0.04 0.04 4.81 -2.00 0.04 114.58 118.06 1gjw h GLU 361 Ca 0.50 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.53 1gjw h GLU 361 Cb 0.95 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.25 1gjw h GLU 361 CO -0.64 0.41 -0.48 1.25 -0.73 0.00 0.00 179.01 178.82 1gjw h LEU 362 N 0.44 0.49 -0.97 1.64 5.85 -1.28 -2.74 115.31 118.75 1gjw h LEU 362 Ca 0.11 -0.71 0.11 0.00 0.84 0.00 0.00 57.88 58.23 1gjw h LEU 362 Cb 0.16 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 1gjw h LEU 362 CO -0.01 1.13 0.60 -0.50 -0.34 0.00 0.00 178.44 179.32 1gjw h TRP 363 N -0.10 1.10 -0.35 1.25 4.06 -0.61 0.88 115.95 122.18 1gjw h TRP 363 Ca -0.05 0.03 -0.11 0.00 2.06 0.00 0.00 58.89 60.82 1gjw h TRP 363 Cb 1.16 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 1gjw h TRP 363 CO 0.14 0.44 -0.23 0.93 -3.56 0.00 0.00 178.44 176.16 1gjw h GLU 364 N 0.96 0.77 0.06 0.49 4.39 -1.02 -1.42 114.58 118.81 1gjw h GLU 364 Ca 0.48 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1gjw h GLU 364 Cb 0.46 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1gjw h GLU 364 CO -0.26 0.98 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.62 1gjw h TYR 365 N 0.55 -0.08 -0.74 4.33 5.03 -0.97 -2.34 116.97 122.74 1gjw h TYR 365 Ca 0.07 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.44 1gjw h TYR 365 Cb 0.79 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 39.04 1gjw h TYR 365 CO 0.06 -0.05 0.43 -0.07 -1.32 0.00 0.00 178.16 177.21 1gjw h LEU 366 N -0.09 0.66 0.00 2.82 3.38 -0.80 -0.68 115.31 120.61 1gjw h LEU 366 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gjw h LEU 366 Cb 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1gjw h LEU 366 CO 0.01 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.96 1gjw n ALA 367 N -2.35 2.41 0.31 1.53 0.00 -0.54 -2.50 120.51 119.37 1gjw n ALA 367 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1gjw n ALA 367 Cb 0.18 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.36 1gjw n ALA 367 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gjw n GLY 368 N 0.51 -0.48 0.17 0.00 0.00 -0.28 -4.70 105.19 100.41 1gjw n GLY 368 Ca 0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1gjw n GLY 368 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gjw h VAL 369 N 1.11 0.79 -0.31 1.61 2.07 -1.29 -2.62 116.25 117.61 1gjw h VAL 369 Ca 0.00 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1gjw h VAL 369 Cb 0.27 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1gjw h VAL 369 CO 0.00 0.15 0.11 0.40 0.02 0.00 0.00 177.57 178.24 1gjw h ILE 370 N -0.72 1.20 -0.39 4.57 2.04 -1.85 -2.36 117.51 119.99 1gjw h ILE 370 Ca -0.03 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.29 1gjw h ILE 370 Cb 0.49 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1gjw h ILE 370 CO 0.06 0.21 0.27 -0.65 0.00 0.00 0.00 178.15 178.04 1gjw h PRO 371 N 0.35 0.16 -0.57 2.37 0.11 -1.84 0.59 132.00 133.17 1gjw h PRO 371 Ca 0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1gjw h PRO 371 Cb 0.23 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1gjw h PRO 371 CO -0.00 0.11 0.35 1.25 -0.21 0.00 0.00 178.00 179.50 1gjw h HIS 372 N 0.17 0.74 0.19 0.65 -0.00 -1.02 -0.37 115.15 115.50 1gjw h HIS 372 Ca 0.18 0.01 -0.30 0.00 -0.00 0.00 0.00 60.37 60.26 1gjw h HIS 372 Cb 0.50 -0.25 0.02 0.00 -0.00 0.00 0.00 27.41 27.68 1gjw h HIS 372 CO -0.00 0.49 -1.35 1.88 -0.00 0.00 0.00 177.93 178.95 1gjw h TYR 373 N 0.78 0.74 0.54 5.26 0.05 0.20 -1.24 116.97 123.30 1gjw h TYR 373 Ca 0.21 -0.53 -0.03 0.00 0.05 0.00 0.00 58.73 58.43 1gjw h TYR 373 Cb -0.05 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 37.67 1gjw h TYR 373 CO 0.00 1.41 -0.26 1.96 -1.05 0.00 0.00 178.16 180.22 1gjw h GLN 374 N 0.12 -0.70 -0.64 4.88 4.20 -0.63 -1.00 115.11 121.34 1gjw h GLN 374 Ca -0.19 0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1gjw h GLN 374 Cb 2.06 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.97 1gjw h GLN 374 CO 0.24 -0.46 0.16 0.87 -0.67 0.00 0.00 178.83 178.97 1gjw h LYS 375 N -0.75 1.03 0.05 1.46 1.57 -1.17 0.60 116.57 119.34 1gjw h LYS 375 Ca -0.07 -0.25 -0.26 0.00 -1.87 0.00 0.00 60.65 58.20 1gjw h LYS 375 Cb 0.57 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1gjw h LYS 375 CO 0.12 0.93 -1.08 -0.22 -0.57 0.00 0.00 179.45 178.63 1gjw h LYS 376 N 0.95 0.52 0.00 3.15 3.64 -1.23 -3.39 116.57 120.20 1gjw h LYS 376 Ca 0.20 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1gjw h LYS 376 Cb 0.36 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1gjw h LYS 376 CO 0.00 1.24 -0.12 0.66 -2.27 0.00 0.00 179.45 178.97 1gjw n TYR 377 N -3.76 0.00 -2.57 1.91 4.02 -0.43 -5.00 117.16 111.33 1gjw n TYR 377 Ca -0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.75 1gjw n TYR 377 Cb 0.91 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.24 1gjw n TYR 377 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1gjw n GLY 378 N 1.00 0.54 3.73 2.72 0.00 0.21 -4.48 105.19 108.92 1gjw n GLY 378 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1gjw n GLY 378 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gjw s ILE 379 N -2.87 2.65 -0.39 -0.61 -4.36 -1.22 -3.01 121.20 111.40 1gjw s ILE 379 Ca 0.09 0.28 0.21 0.00 -0.26 0.00 0.00 60.65 60.97 1gjw s ILE 379 Cb -0.04 -2.72 -0.29 0.00 1.25 0.00 0.00 42.46 40.66 1gjw s ILE 379 CO 0.11 -0.21 0.62 0.47 0.24 0.00 0.00 174.94 176.17 1gjw n ASP 380 N -3.04 0.49 -3.31 4.36 9.92 0.35 -4.61 116.55 120.71 1gjw n ASP 380 Ca 0.12 -0.38 -0.02 0.00 -0.53 0.00 0.00 54.79 53.98 1gjw n ASP 380 Cb 0.51 1.59 0.02 0.00 -0.64 0.00 0.00 41.12 42.61 1gjw n ASP 380 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gjw n GLY 381 N 1.37 0.56 3.50 0.44 0.00 -0.95 -2.85 105.19 107.26 1gjw n GLY 381 Ca -0.01 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1gjw n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjw s ALA 382 N -2.00 -1.76 -0.13 4.61 0.00 0.06 -1.73 121.76 120.80 1gjw s ALA 382 Ca 0.23 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 1gjw s ALA 382 Cb -0.02 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1gjw s ALA 382 CO 0.05 -0.53 -0.03 0.50 0.00 0.00 0.00 175.76 175.74 1gjw s ARG 383 N -2.28 3.44 -0.22 0.00 3.52 0.98 0.25 118.95 124.64 1gjw s ARG 383 Ca -0.03 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.03 1gjw s ARG 383 Cb -0.01 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.49 1gjw s ARG 383 CO -0.02 0.39 0.01 -1.17 -0.81 0.00 0.00 175.30 173.70 1gjw s LEU 384 N -0.03 3.25 -0.05 -0.88 0.20 -0.41 -1.14 118.68 119.62 1gjw s LEU 384 Ca 0.02 -0.24 -0.05 0.00 0.69 0.00 0.00 54.13 54.55 1gjw s LEU 384 Cb -0.13 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1gjw s LEU 384 CO 0.02 0.02 0.19 -1.81 -0.29 0.00 0.00 176.35 174.48 1gjw s ASP 385 N 1.27 6.41 -1.30 3.68 -0.00 0.50 -2.87 116.67 124.37 1gjw s ASP 385 Ca 0.04 0.45 -0.01 0.00 -0.00 0.00 0.00 52.55 53.03 1gjw s ASP 385 Cb -0.15 -2.05 0.00 0.00 -0.00 0.00 0.00 42.92 40.72 1gjw s ASP 385 CO 0.01 0.32 0.11 0.80 -0.00 0.00 0.00 175.17 176.42 1gjw n MET 386 N 1.41 -1.86 0.31 8.23 1.56 -1.26 -4.10 117.12 121.41 1gjw n MET 386 Ca -0.15 0.74 0.21 0.00 -0.27 0.00 0.00 57.70 58.23 1gjw n MET 386 Cb 0.54 -5.12 1.00 0.00 2.15 0.00 0.00 33.22 31.79 1gjw n MET 386 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1gjw h GLY 387 N -0.26 0.00 1.81 -5.12 0.00 -1.90 -2.62 103.07 94.99 1gjw h GLY 387 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1gjw h GLY 387 CO 0.44 0.00 0.12 0.45 0.00 0.00 0.00 176.54 177.55 1gjw h HIS 388 N 0.00 0.24 0.00 5.60 3.86 -1.92 -2.70 115.15 120.23 1gjw h HIS 388 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1gjw h HIS 388 Cb 0.20 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1gjw h HIS 388 CO 0.00 0.16 -0.29 0.00 0.86 0.00 0.00 177.93 178.66 1gjw n ALA 389 N -2.51 2.69 -2.27 2.45 0.00 -0.98 -4.57 120.51 115.32 1gjw n ALA 389 Ca -0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1gjw n ALA 389 Cb 0.08 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 1gjw n ALA 389 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gjw s LEU 390 N -3.97 4.49 0.48 0.00 1.43 -1.02 -1.98 118.68 118.12 1gjw s LEU 390 Ca 0.10 1.60 -0.24 0.00 -1.03 0.00 0.00 54.13 54.56 1gjw s LEU 390 Cb 0.14 -3.37 -0.07 0.00 0.03 0.00 0.00 46.19 42.93 1gjw s LEU 390 CO 0.64 0.03 1.42 -2.84 0.23 0.00 0.00 176.35 175.83 1gjw s PRO 391 N -0.25 3.51 0.36 1.29 0.02 -1.26 -4.29 135.00 134.37 1gjw s PRO 391 Ca 0.41 2.40 0.13 0.00 0.02 0.00 0.00 61.00 63.96 1gjw s PRO 391 Cb -0.22 -2.54 0.94 0.00 0.02 0.00 0.00 34.50 32.70 1gjw s PRO 391 CO 0.26 -0.95 1.78 -0.22 -0.33 0.00 0.00 177.00 177.54 1gjw h LYS 392 N 2.06 0.54 -0.49 5.54 3.64 -1.92 -1.40 116.57 124.54 1gjw h LYS 392 Ca -0.51 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.72 1gjw h LYS 392 Cb 1.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1gjw h LYS 392 CO 0.60 0.36 -0.17 1.49 -2.27 0.00 0.00 179.45 179.46 1gjw h GLU 393 N 0.55 0.96 -0.22 1.90 4.81 -1.99 -0.06 114.58 120.53 1gjw h GLU 393 Ca 0.57 -0.38 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 1gjw h GLU 393 Cb 1.19 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1gjw h GLU 393 CO -0.33 1.05 -0.60 1.25 -0.73 0.00 0.00 179.01 179.65 1gjw h LEU 394 N 0.84 0.83 -0.47 1.64 5.85 -1.66 -2.03 115.31 120.32 1gjw h LEU 394 Ca 0.12 -0.47 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 1gjw h LEU 394 Cb 0.73 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1gjw h LEU 394 CO 0.06 1.24 -0.24 0.25 -0.34 0.00 0.00 178.44 179.41 1gjw h LEU 395 N 0.55 1.03 -0.47 2.25 7.12 -1.17 -1.71 115.31 122.92 1gjw h LEU 395 Ca -0.00 -0.41 -0.02 0.00 0.13 0.00 0.00 57.88 57.59 1gjw h LEU 395 Cb 1.19 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 41.01 1gjw h LEU 395 CO 0.12 1.21 0.23 0.44 -0.13 0.00 0.00 178.44 180.31 1gjw h ASP 396 N 0.85 0.61 -0.45 1.25 3.45 -0.99 -1.63 116.42 119.51 1gjw h ASP 396 Ca 0.10 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 1gjw h ASP 396 Cb 0.82 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.42 1gjw h ASP 396 CO 0.07 0.56 0.27 0.25 -1.57 0.00 0.00 179.24 178.82 1gjw h LEU 397 N 0.62 0.54 -0.76 1.55 5.85 -1.24 0.28 115.31 122.15 1gjw h LEU 397 Ca 0.16 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1gjw h LEU 397 Cb 0.11 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1gjw h LEU 397 CO -0.02 0.44 0.46 0.40 -0.34 0.00 0.00 178.44 179.37 1gjw h ILE 398 N 0.60 1.03 0.03 4.05 2.04 -0.94 -1.38 117.51 122.93 1gjw h ILE 398 Ca 0.16 -0.29 -0.24 0.00 1.00 0.00 0.00 64.86 65.49 1gjw h ILE 398 Cb -0.01 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1gjw h ILE 398 CO -0.03 0.16 -1.02 0.40 0.00 0.00 0.00 178.15 177.65 1gjw h ILE 399 N 0.85 1.39 -0.24 -0.67 2.04 -1.11 -3.13 117.51 116.63 1gjw h ILE 399 Ca 0.33 -2.50 0.01 0.00 1.00 0.00 0.00 64.86 63.71 1gjw h ILE 399 Cb 0.15 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1gjw h ILE 399 CO -0.16 0.75 0.12 0.50 0.00 0.00 0.00 178.15 179.35 1gjw h LYS 400 N 0.24 0.25 -0.89 2.37 3.64 -0.63 -1.24 116.57 120.31 1gjw h LYS 400 Ca -0.10 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1gjw h LYS 400 Cb 1.68 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.39 1gjw h LYS 400 CO 0.18 0.16 0.58 -0.91 -2.27 0.00 0.00 179.45 177.20 1gjw h ASN 401 N 0.25 0.98 -0.04 4.20 4.21 -1.29 0.21 115.58 124.12 1gjw h ASN 401 Ca 0.10 -0.02 -0.14 0.00 1.21 0.00 0.00 56.30 57.45 1gjw h ASN 401 Cb 0.02 -0.24 0.01 0.00 -1.12 0.00 0.00 38.32 37.00 1gjw h ASN 401 CO -0.07 0.69 -0.51 -0.37 -1.29 0.00 0.00 177.43 175.89 1gjw h VAL 402 N 1.15 1.42 0.00 2.81 -1.51 -1.46 -3.09 116.25 115.57 1gjw h VAL 402 Ca 0.34 -1.95 -0.05 0.00 -1.23 0.00 0.00 66.70 63.81 1gjw h VAL 402 Cb -0.05 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 1gjw h VAL 402 CO -0.09 0.57 -0.24 0.11 -1.23 0.00 0.00 177.57 176.69 1gjw h LYS 403 N -0.08 0.00 -0.59 5.19 1.79 -1.06 -0.72 116.57 121.10 1gjw h LYS 403 Ca -0.05 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1gjw h LYS 403 Cb 1.20 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.82 1gjw h LYS 403 CO 0.10 0.24 0.22 1.49 -1.08 0.00 0.00 179.45 180.42 1gjw h GLU 404 N 0.00 0.90 0.13 3.15 4.81 -0.58 -2.43 114.58 120.56 1gjw h GLU 404 Ca -0.00 -0.17 -0.28 0.00 -0.13 0.00 0.00 59.36 58.77 1gjw h GLU 404 Cb 0.44 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.70 1gjw h GLU 404 CO 0.03 0.78 -1.24 -0.92 -0.73 0.00 0.00 179.01 176.93 1gjw h TYR 405 N 0.83 0.67 -1.96 0.92 3.20 -1.37 -3.43 116.97 115.82 1gjw h TYR 405 Ca 0.20 -0.46 -0.28 0.00 3.14 0.00 0.00 58.73 61.33 1gjw h TYR 405 Cb 0.23 -0.04 -0.31 0.00 1.54 0.00 0.00 36.73 38.15 1gjw h TYR 405 CO 0.01 1.34 -0.60 0.34 -1.64 0.00 0.00 178.16 177.61 1gjw s ASP 406 N -7.26 1.15 0.00 -2.11 3.68 -0.32 -5.01 116.67 106.80 1gjw s ASP 406 Ca -0.06 -0.66 0.10 0.00 2.13 0.00 0.00 52.55 54.06 1gjw s ASP 406 Cb 0.07 0.75 0.46 0.00 -1.45 0.00 0.00 42.92 42.74 1gjw s ASP 406 CO 0.90 -0.37 1.31 -0.81 0.13 0.00 0.00 175.17 176.33 1gjw n PRO 407 N 5.27 0.03 0.00 4.34 -0.04 -0.93 -1.80 135.00 141.87 1gjw n PRO 407 Ca -0.00 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1gjw n PRO 407 Cb 0.47 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.71 1gjw n PRO 407 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gjw n ALA 408 N -1.45 3.25 -1.69 0.55 0.00 -1.26 -3.94 120.51 115.97 1gjw n ALA 408 Ca 0.03 -0.46 -0.44 0.00 0.00 0.00 0.00 53.44 52.57 1gjw n ALA 408 Cb 0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1gjw n ALA 408 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1gjw n PHE 409 N -0.58 2.43 -3.53 0.00 -0.00 -0.74 -3.73 117.46 111.29 1gjw n PHE 409 Ca 0.11 0.27 -0.39 0.00 -0.00 0.00 0.00 57.45 57.44 1gjw n PHE 409 Cb 0.37 -2.55 -0.10 0.00 -0.00 0.00 0.00 39.48 37.19 1gjw n PHE 409 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1gjw s VAL 410 N 0.56 5.27 -0.26 -2.13 1.01 -1.13 -4.71 120.40 119.00 1gjw s VAL 410 Ca 0.73 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 1gjw s VAL 410 Cb -0.61 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1gjw s VAL 410 CO 0.42 0.19 0.22 -0.04 0.00 0.00 0.00 175.10 175.88 1gjw s MET 411 N 1.84 4.00 -0.22 2.72 -1.94 -1.26 -0.76 119.30 123.68 1gjw s MET 411 Ca 0.09 -0.23 -0.07 0.00 -1.71 0.00 0.00 55.69 53.77 1gjw s MET 411 Cb -0.16 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 33.03 1gjw s MET 411 CO 0.11 -0.12 0.06 0.42 -0.01 0.00 0.00 175.02 175.48 1gjw s ILE 412 N 1.58 4.43 0.12 2.53 1.01 0.14 -1.08 121.20 129.93 1gjw s ILE 412 Ca 0.09 -0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 1gjw s ILE 412 Cb -0.15 -3.04 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 1gjw s ILE 412 CO 0.09 0.38 0.80 0.00 0.00 0.00 0.00 174.94 176.21 1gjw s ALA 413 N 1.18 3.40 -1.31 9.38 0.00 -0.58 -1.28 121.76 132.54 1gjw s ALA 413 Ca 0.04 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 1gjw s ALA 413 Cb -0.14 -3.01 0.11 0.00 0.00 0.00 0.00 23.12 20.08 1gjw s ALA 413 CO 0.03 0.18 1.82 -1.91 0.00 0.00 0.00 175.76 175.88 1gjw n GLU 414 N 2.14 3.27 -4.04 0.00 2.13 -1.14 -2.11 120.64 120.89 1gjw n GLU 414 Ca -0.04 -3.32 -0.32 0.00 0.66 0.00 0.00 57.16 54.15 1gjw n GLU 414 Cb 0.49 -3.18 -0.15 0.00 0.27 0.00 0.00 31.44 28.87 1gjw n GLU 414 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1gjw s GLU 415 N 2.28 2.19 0.28 5.31 2.56 -1.26 -4.79 118.70 125.26 1gjw s GLU 415 Ca 0.46 -1.18 0.21 0.00 0.00 0.00 0.00 54.97 54.46 1gjw s GLU 415 Cb 0.06 -2.76 0.11 0.00 2.00 0.00 0.00 34.13 33.55 1gjw s GLU 415 CO -0.00 -0.52 1.26 -0.07 -0.56 0.00 0.00 175.26 175.36 1gjw h LEU 416 N 7.84 0.00 -8.59 2.70 3.38 -1.89 0.25 115.31 118.99 1gjw h LEU 416 Ca -0.22 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.14 1gjw h LEU 416 Cb 1.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1gjw h LEU 416 CO 0.47 0.11 0.58 -0.62 0.09 0.00 0.00 178.44 179.08 1gjw s ASP 417 N -5.81 6.43 0.00 -0.43 -1.08 -1.26 -2.97 116.67 111.54 1gjw s ASP 417 Ca 0.02 -0.08 0.10 0.00 -0.52 0.00 0.00 52.55 52.07 1gjw s ASP 417 Cb 0.08 -2.45 0.47 0.00 -1.46 0.00 0.00 42.92 39.56 1gjw s ASP 417 CO 0.75 -1.14 1.19 0.23 0.52 0.00 0.00 175.17 176.73 1gjw n MET 418 N 7.32 0.13 0.07 4.34 2.81 -1.26 -0.41 117.12 130.12 1gjw n MET 418 Ca 0.04 0.21 0.12 0.00 -1.81 0.00 0.00 57.70 56.26 1gjw n MET 418 Cb 0.48 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.65 1gjw n MET 418 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1gjw h GLU 419 N 0.00 0.00 -0.83 0.03 5.08 -1.97 -3.32 114.58 113.57 1gjw h GLU 419 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1gjw h GLU 419 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1gjw h GLU 419 CO 0.00 0.00 0.09 1.63 -1.00 0.00 0.00 179.01 179.73 1gjw n LYS 420 N -2.16 2.75 -0.05 2.33 5.02 0.46 -4.34 118.16 122.16 1gjw n LYS 420 Ca 0.03 -1.69 -0.12 0.00 -2.02 0.00 0.00 58.31 54.51 1gjw n LYS 420 Cb 0.45 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 1gjw n LYS 420 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1gjw h ASP 421 N 1.74 0.28 -0.60 4.39 2.03 -1.72 -1.42 116.42 121.12 1gjw h ASP 421 Ca 0.09 -0.30 0.07 0.00 -0.73 0.00 0.00 57.03 56.16 1gjw h ASP 421 Cb 1.49 -0.07 -0.06 0.00 -0.83 0.00 0.00 39.33 39.86 1gjw h ASP 421 CO 0.36 0.51 0.28 0.11 -1.03 0.00 0.00 179.24 179.46 1gjw h LYS 422 N 0.04 0.50 -0.41 4.15 1.57 -1.90 0.86 116.57 121.36 1gjw h LYS 422 Ca 0.05 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1gjw h LYS 422 Cb 0.36 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1gjw h LYS 422 CO 0.01 0.33 -0.13 0.00 -0.57 0.00 0.00 179.45 179.08 1gjw h ALA 423 N 1.36 0.99 -0.48 3.86 0.00 -1.83 -1.15 119.26 122.01 1gjw h ALA 423 Ca 0.29 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1gjw h ALA 423 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1gjw h ALA 423 CO -0.23 0.60 -0.14 0.77 0.00 0.00 0.00 179.25 180.25 1gjw h SER 424 N 0.68 0.92 -0.52 0.00 0.02 -0.29 0.06 113.55 114.42 1gjw h SER 424 Ca 0.11 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 1gjw h SER 424 Cb 0.61 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1gjw h SER 424 CO 0.04 1.05 0.09 0.50 -1.14 0.00 0.00 176.83 177.38 1gjw h LYS 425 N 0.81 0.85 0.00 3.45 3.64 -0.67 -1.84 116.57 122.81 1gjw h LYS 425 Ca 0.13 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1gjw h LYS 425 Cb 0.67 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1gjw h LYS 425 CO 0.05 0.83 -0.11 0.93 -2.27 0.00 0.00 179.45 178.89 1gjw h GLU 426 N 0.74 0.00 0.00 1.90 5.08 -0.80 -2.08 114.58 119.42 1gjw h GLU 426 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1gjw h GLU 426 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1gjw h GLU 426 CO 0.01 0.11 -0.09 0.00 -1.00 0.00 0.00 179.01 178.04 1gjw n ALA 427 N -2.21 2.37 0.00 3.43 0.00 -0.03 -4.93 120.51 119.14 1gjw n ALA 427 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1gjw n ALA 427 Cb 0.27 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1gjw n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gjw n GLY 428 N 1.31 0.98 3.88 0.00 0.00 -0.78 -4.84 105.19 105.73 1gjw n GLY 428 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1gjw n GLY 428 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gjw s TYR 429 N -2.00 3.61 -0.17 1.61 1.51 -0.76 -4.90 117.35 116.24 1gjw s TYR 429 Ca 0.00 1.17 0.10 0.00 -1.01 0.00 0.00 57.07 57.33 1gjw s TYR 429 Cb 0.00 -2.62 -0.13 0.00 -0.11 0.00 0.00 41.96 39.10 1gjw s TYR 429 CO 0.00 -0.57 0.28 -0.25 -1.11 0.00 0.00 175.55 173.90 1gjw n ASP 430 N -2.57 1.93 -3.79 2.29 8.00 -0.24 -4.49 116.55 117.68 1gjw n ASP 430 Ca 0.05 -0.26 -0.12 0.00 0.71 0.00 0.00 54.79 55.17 1gjw n ASP 430 Cb 0.54 1.28 -0.08 0.00 -0.02 0.00 0.00 41.12 42.84 1gjw n ASP 430 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gjw s VAL 431 N -2.39 0.09 0.10 2.53 1.01 -1.02 -4.23 120.40 116.48 1gjw s VAL 431 Ca -0.01 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1gjw s VAL 431 Cb 0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1gjw s VAL 431 CO 0.40 -0.39 -0.24 0.27 0.00 0.00 0.00 175.10 175.14 1gjw s ILE 432 N -2.29 1.95 0.05 2.22 -4.36 -0.76 -1.53 121.20 116.47 1gjw s ILE 432 Ca -0.07 -1.55 -0.23 0.00 -0.26 0.00 0.00 60.65 58.54 1gjw s ILE 432 Cb -0.02 -1.73 -0.16 0.00 1.25 0.00 0.00 42.46 41.81 1gjw s ILE 432 CO -0.02 0.08 1.53 0.25 0.24 0.00 0.00 174.94 177.02 1gjw h LEU 433 N 4.21 0.08 0.00 0.37 5.85 -1.39 -2.54 115.31 121.90 1gjw h LEU 433 Ca -0.47 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.09 1gjw h LEU 433 Cb 1.17 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1gjw h LEU 433 CO 0.40 0.29 -0.10 0.61 -0.34 0.00 0.00 178.44 179.31 1gjw n GLY 434 N -0.47 -1.71 1.60 3.75 0.00 0.87 -3.77 105.19 105.45 1gjw n GLY 434 Ca -0.07 -1.25 0.03 0.00 0.00 0.00 0.00 46.02 44.73 1gjw n GLY 434 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gjw n SER 435 N -1.65 1.17 -0.26 1.61 7.64 -1.16 -4.54 113.62 116.43 1gjw n SER 435 Ca 0.00 -2.16 0.27 0.00 1.01 0.00 0.00 58.87 57.99 1gjw n SER 435 Cb 0.13 -0.34 0.63 0.00 -1.01 0.00 0.00 64.21 63.62 1gjw n SER 435 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1gjw h SER 436 N 1.21 0.20 -0.04 6.43 4.64 -1.86 -0.47 113.55 123.66 1gjw h SER 436 Ca -0.20 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1gjw h SER 436 Cb 1.75 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1gjw h SER 436 CO 0.11 0.05 0.05 4.11 -0.87 0.00 0.00 176.83 180.28 1gjw h TRP 437 N 0.18 0.00 -0.24 4.77 5.08 -1.79 0.35 115.95 124.30 1gjw h TRP 437 Ca 0.51 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.35 1gjw h TRP 437 Cb 1.67 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.83 1gjw h TRP 437 CO -0.00 0.00 -0.34 -0.92 -1.28 0.00 0.00 178.44 175.90 1gjw h TYR 438 N 0.00 0.81 0.21 0.12 3.20 -1.40 -2.89 116.97 117.02 1gjw h TYR 438 Ca 0.02 -0.27 -0.32 0.00 3.14 0.00 0.00 58.73 61.30 1gjw h TYR 438 Cb 0.12 -0.16 0.03 0.00 1.54 0.00 0.00 36.73 38.26 1gjw h TYR 438 CO 0.00 1.02 -1.39 0.74 -1.64 0.00 0.00 178.16 176.88 1gjw h PHE 439 N 0.37 0.93 -0.07 -3.82 -1.00 -1.49 -3.31 116.94 108.54 1gjw h PHE 439 Ca 0.03 -0.65 0.02 0.00 2.81 0.00 0.00 57.97 60.18 1gjw h PHE 439 Cb 0.92 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.43 1gjw h PHE 439 CO 0.08 1.50 0.05 0.00 -1.61 0.00 0.00 178.31 178.34 1gjw h ALA 440 N 0.25 1.98 -0.01 2.45 0.00 -1.03 -1.27 119.26 121.64 1gjw h ALA 440 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1gjw h ALA 440 Cb 2.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1gjw h ALA 440 CO 0.26 -0.09 -0.02 0.41 0.00 0.00 0.00 179.25 179.81 1gjw n GLY 441 N -1.51 -0.28 3.02 0.00 0.00 -1.09 -4.69 105.19 100.64 1gjw n GLY 441 Ca -0.01 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1gjw n GLY 441 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gjw s ARG 442 N -2.04 2.09 0.43 1.61 0.52 -0.51 -4.52 118.95 116.52 1gjw s ARG 442 Ca 0.39 -1.08 0.17 0.00 -0.52 0.00 0.00 55.73 54.69 1gjw s ARG 442 Cb 0.21 -2.66 1.08 0.00 0.52 0.00 0.00 34.95 34.11 1gjw s ARG 442 CO 0.36 -0.51 1.90 -0.39 0.02 0.00 0.00 175.30 176.68 1gjw h VAL 443 N 6.57 0.75 0.00 3.52 -1.51 -1.86 0.63 116.25 124.36 1gjw h VAL 443 Ca -0.23 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1gjw h VAL 443 Cb 1.07 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1gjw h VAL 443 CO 0.47 0.07 0.00 -1.84 -1.23 0.00 0.00 177.57 175.04 1gjw n GLU 444 N -4.48 0.39 0.00 5.19 0.00 -1.26 -3.87 120.64 116.61 1gjw n GLU 444 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1gjw n GLU 444 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1gjw n GLU 444 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1gjw n GLU 445 N -1.30 0.92 -0.18 3.44 -0.58 0.17 -4.79 120.64 118.31 1gjw n GLU 445 Ca 0.14 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 57.01 1gjw n GLU 445 Cb 0.25 -0.98 0.47 0.00 -0.57 0.00 0.00 31.44 30.61 1gjw n GLU 445 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1gjw h ILE 446 N 0.00 0.83 0.00 -3.67 2.10 0.26 -2.14 117.51 114.89 1gjw h ILE 446 Ca 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.77 1gjw h ILE 446 Cb 0.17 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 1gjw h ILE 446 CO 0.00 0.09 0.00 0.61 -1.08 0.00 0.00 178.15 177.77 1gjw n GLY 447 N -1.50 -0.97 0.22 8.18 0.00 -1.26 -1.69 105.19 108.17 1gjw n GLY 447 Ca 0.14 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.45 1gjw n GLY 447 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gjw h LYS 448 N 0.00 0.00 -0.59 1.61 1.57 -1.74 -3.35 116.57 114.06 1gjw h LYS 448 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1gjw h LYS 448 Cb 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1gjw h LYS 448 CO 0.00 0.00 0.31 -0.07 -0.57 0.00 0.00 179.45 179.12 1gjw h LEU 449 N 0.00 0.44 -0.40 2.94 3.38 -1.50 -2.86 115.31 117.31 1gjw h LEU 449 Ca 0.00 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1gjw h LEU 449 Cb 0.90 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 1gjw h LEU 449 CO 0.00 0.29 -0.17 -0.65 0.09 0.00 0.00 178.44 178.00 1gjw h PRO 450 N 0.58 -0.09 -0.44 1.13 0.11 -1.78 0.16 132.00 131.67 1gjw h PRO 450 Ca 0.26 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 1gjw h PRO 450 Cb 0.18 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1gjw h PRO 450 CO -0.18 -0.06 -0.17 -0.44 -0.21 0.00 0.00 178.00 176.94 1gjw h ASP 451 N -0.09 0.84 -0.26 -2.05 3.32 -1.82 -2.24 116.42 114.12 1gjw h ASP 451 Ca 0.20 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1gjw h ASP 451 Cb 0.39 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1gjw h ASP 451 CO -0.46 1.01 0.17 0.40 -1.72 0.00 0.00 179.24 178.63 1gjw h ILE 452 N 0.74 1.06 -0.37 0.35 2.04 -1.13 -2.49 117.51 117.71 1gjw h ILE 452 Ca 0.11 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1gjw h ILE 452 Cb 0.69 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1gjw h ILE 452 CO 0.05 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1gjw h ALA 453 N 1.10 0.50 -0.70 1.87 0.00 -0.97 -3.15 119.26 117.91 1gjw h ALA 453 Ca 0.10 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1gjw h ALA 453 Cb -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1gjw h ALA 453 CO -0.03 0.26 0.46 1.49 0.00 0.00 0.00 179.25 181.43 1gjw h GLU 454 N 0.47 0.64 0.00 0.00 4.57 -1.21 -2.01 114.58 117.04 1gjw h GLU 454 Ca 0.10 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1gjw h GLU 454 Cb 0.46 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1gjw h GLU 454 CO 0.02 0.42 0.00 -1.91 -1.18 0.00 0.00 179.01 176.36 1gjw n GLU 455 N -4.48 0.03 -1.74 1.92 0.00 -0.96 -4.91 120.64 110.50 1gjw n GLU 455 Ca 0.11 0.11 -0.37 0.00 0.00 0.00 0.00 57.16 57.01 1gjw n GLU 455 Cb 0.28 -1.54 0.07 0.00 0.00 0.00 0.00 31.44 30.24 1gjw n GLU 455 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1gjw s LEU 456 N -3.21 3.57 0.00 4.31 1.43 -0.76 -4.93 118.68 119.10 1gjw s LEU 456 Ca 0.11 2.61 0.10 0.00 -1.03 0.00 0.00 54.13 55.92 1gjw s LEU 456 Cb 0.15 -4.62 0.08 0.00 0.03 0.00 0.00 46.19 41.84 1gjw s LEU 456 CO 0.45 -2.00 0.82 1.33 0.23 0.00 0.00 176.35 177.18 1gjw n VAL 457 N -1.92 0.04 -3.92 -1.59 0.24 -1.26 -4.97 118.33 104.94 1gjw n VAL 457 Ca 0.16 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 1gjw n VAL 457 Cb 0.48 1.18 -0.10 0.00 -1.47 0.00 0.00 33.84 33.93 1gjw n VAL 457 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1gjw s LEU 458 N -0.82 1.85 0.72 1.34 1.43 -1.26 -5.03 118.68 116.91 1gjw s LEU 458 Ca 0.12 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1gjw s LEU 458 Cb 0.08 0.46 0.02 0.00 0.03 0.00 0.00 46.19 46.78 1gjw s LEU 458 CO 0.12 -0.38 1.07 -2.16 0.23 0.00 0.00 176.35 175.24 1gjw s PRO 459 N -1.69 2.69 0.15 1.29 0.04 -1.26 -4.82 135.00 131.40 1gjw s PRO 459 Ca -0.13 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.04 1gjw s PRO 459 Cb -0.07 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1gjw s PRO 459 CO -0.01 -1.30 -0.11 -0.59 0.04 0.00 0.00 177.00 175.03 1gjw s PHE 460 N -2.91 1.36 -0.59 0.56 -0.71 -0.48 -1.82 117.98 113.39 1gjw s PHE 460 Ca 0.60 -0.70 -0.28 0.00 -1.04 0.00 0.00 56.93 55.51 1gjw s PHE 460 Cb -0.16 -0.68 0.03 0.00 -1.21 0.00 0.00 43.02 41.01 1gjw s PHE 460 CO 0.53 0.14 1.18 -0.51 -1.34 0.00 0.00 175.22 175.22 1gjw s LEU 461 N -3.12 3.49 -0.85 -1.99 1.43 -0.95 -1.58 118.68 115.11 1gjw s LEU 461 Ca 0.17 0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 1gjw s LEU 461 Cb 0.01 -3.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 1gjw s LEU 461 CO 0.02 -1.48 1.69 0.00 0.23 0.00 0.00 176.35 176.81 1gjw s ALA 462 N 4.91 2.22 0.23 4.21 0.00 -0.44 -4.80 121.76 128.09 1gjw s ALA 462 Ca 0.41 -1.52 0.09 0.00 0.00 0.00 0.00 51.96 50.94 1gjw s ALA 462 Cb -0.08 -4.45 -0.04 0.00 0.00 0.00 0.00 23.12 18.55 1gjw s ALA 462 CO 0.24 -4.06 -0.03 -1.54 0.00 0.00 0.00 175.76 170.37 1gjw s SER 463 N 6.54 4.52 0.00 0.00 1.04 -1.26 -1.81 113.70 122.73 1gjw s SER 463 Ca 0.57 -0.58 0.08 0.00 0.48 0.00 0.00 55.95 56.50 1gjw s SER 463 Cb -0.06 -0.85 0.05 0.00 0.10 0.00 0.00 66.02 65.26 1gjw s SER 463 CO 0.03 0.04 0.70 1.33 0.98 0.00 0.00 173.24 176.32 1gjw n VAL 464 N -0.53 0.00 -3.62 5.02 0.24 -1.26 -2.50 118.33 115.68 1gjw n VAL 464 Ca -0.08 -0.48 -0.06 0.00 -2.04 0.00 0.00 64.34 61.68 1gjw n VAL 464 Cb 0.57 1.14 -0.05 0.00 -1.47 0.00 0.00 33.84 34.04 1gjw n VAL 464 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1gjw s GLU 465 N -0.75 0.28 0.32 7.34 -1.05 -1.26 -4.32 118.70 119.26 1gjw s GLU 465 Ca 0.08 0.07 0.04 0.00 -0.15 0.00 0.00 54.97 55.01 1gjw s GLU 465 Cb 0.06 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 1gjw s GLU 465 CO 0.12 -0.09 0.17 0.95 0.95 0.00 0.00 175.26 177.36 1gjw s THR 466 N -1.05 0.32 0.62 1.83 -4.23 -1.26 -4.58 115.64 107.28 1gjw s THR 466 Ca 0.04 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.88 1gjw s THR 466 Cb -0.01 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.71 1gjw s THR 466 CO -0.04 0.00 2.15 -0.65 -0.54 0.00 0.00 174.62 175.54 1gjw h PRO 467 N 2.16 0.00 -0.01 3.99 0.11 -1.97 -2.47 132.00 133.80 1gjw h PRO 467 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1gjw h PRO 467 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1gjw h PRO 467 CO 0.51 0.00 -0.30 -0.25 -0.21 0.00 0.00 178.00 177.75 1gjw n ASP 468 N -3.52 1.49 -4.75 -2.05 8.00 -1.26 -3.22 116.55 111.23 1gjw n ASP 468 Ca -0.00 -1.20 -0.31 0.00 0.71 0.00 0.00 54.79 53.99 1gjw n ASP 468 Cb 0.26 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 1gjw n ASP 468 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1gjw s THR 469 N -2.43 1.43 0.68 -3.53 -4.23 -0.93 -0.33 115.64 106.29 1gjw s THR 469 Ca 0.24 -1.93 -0.13 0.00 -1.18 0.00 0.00 61.69 58.69 1gjw s THR 469 Cb 0.19 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.68 1gjw s THR 469 CO 0.51 0.00 1.09 -2.16 -0.54 0.00 0.00 174.62 173.52 1gjw s PRO 470 N -3.89 2.81 0.46 3.99 0.04 -1.26 -4.68 135.00 132.46 1gjw s PRO 470 Ca 0.16 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.19 1gjw s PRO 470 Cb 0.03 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1gjw s PRO 470 CO 0.09 -1.22 1.18 1.03 0.04 0.00 0.00 177.00 178.12 1gjw s ARG 471 N -4.44 3.74 0.46 4.56 1.81 -1.26 -4.64 118.95 119.18 1gjw s ARG 471 Ca 0.63 1.82 0.16 0.00 -1.72 0.00 0.00 55.73 56.62 1gjw s ARG 471 Cb -0.18 -2.42 1.09 0.00 -0.45 0.00 0.00 34.95 32.99 1gjw s ARG 471 CO 0.46 -0.58 2.02 0.97 -0.68 0.00 0.00 175.30 177.49 1gjw h ILE 472 N 1.89 1.05 0.00 1.52 6.09 -1.85 -1.96 117.51 124.24 1gjw h ILE 472 Ca -0.49 -0.56 0.00 0.00 -1.37 0.00 0.00 64.86 62.44 1gjw h ILE 472 Cb 1.25 1.30 0.00 0.00 0.47 0.00 0.00 36.82 39.84 1gjw h ILE 472 CO 0.60 0.16 0.00 0.00 -3.07 0.00 0.00 178.15 175.84 1gjw n ALA 473 N -2.48 2.08 0.01 0.18 0.00 -1.26 -2.16 120.51 116.88 1gjw n ALA 473 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1gjw n ALA 473 Cb 0.23 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1gjw n ALA 473 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gjw n THR 474 N -0.93 0.26 -1.71 0.00 -2.24 -0.74 -4.83 114.28 104.09 1gjw n THR 474 Ca 0.10 -0.63 -0.29 0.00 -2.27 0.00 0.00 64.05 60.96 1gjw n THR 474 Cb 0.05 0.88 0.13 0.00 -2.10 0.00 0.00 70.33 69.28 1gjw n THR 474 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gjw s ARG 475 N -0.27 1.32 0.36 -0.78 1.81 -0.92 -4.94 118.95 115.53 1gjw s ARG 475 Ca 0.00 0.13 -0.28 0.00 -1.72 0.00 0.00 55.73 53.86 1gjw s ARG 475 Cb 0.00 -1.87 -0.11 0.00 -0.45 0.00 0.00 34.95 32.52 1gjw s ARG 475 CO 0.00 -2.04 1.44 0.21 -0.68 0.00 0.00 175.30 174.23 1gjw s LYS 476 N -5.47 4.18 -1.59 3.54 2.20 -1.26 -2.12 119.74 119.21 1gjw s LYS 476 Ca 0.64 2.47 -0.04 0.00 -0.36 0.00 0.00 55.97 58.69 1gjw s LYS 476 Cb -0.12 -3.00 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1gjw s LYS 476 CO 0.52 -0.44 0.51 0.66 -0.36 0.00 0.00 175.35 176.24 1gjw n TYR 477 N 0.63 -1.82 -0.26 4.03 4.02 -1.26 -4.72 117.16 117.78 1gjw n TYR 477 Ca 0.01 0.44 0.06 0.00 -0.01 0.00 0.00 57.90 58.40 1gjw n TYR 477 Cb 0.40 -4.40 0.18 0.00 -0.02 0.00 0.00 39.34 35.50 1gjw n TYR 477 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gjw h ALA 478 N 1.01 0.89 -0.43 -0.72 0.00 -1.74 0.29 119.26 118.55 1gjw h ALA 478 Ca -0.53 0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.73 1gjw h ALA 478 Cb 1.37 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1gjw h ALA 478 CO 0.57 -0.41 0.44 0.66 0.00 0.00 0.00 179.25 180.52 1gjw h SER 479 N 0.15 0.00 0.00 0.00 4.64 -1.89 0.65 113.55 117.11 1gjw h SER 479 Ca 0.43 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.36 1gjw h SER 479 Cb 0.77 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.80 1gjw h SER 479 CO -0.62 0.00 -2.41 0.29 -0.87 0.00 0.00 176.83 173.22 1gjw n LYS 480 N -3.78 0.58 0.28 4.77 4.76 0.16 -4.56 118.16 120.38 1gjw n LYS 480 Ca 0.08 0.18 0.16 0.00 -2.87 0.00 0.00 58.31 55.86 1gjw n LYS 480 Cb 0.63 -1.46 0.82 0.00 -1.84 0.00 0.00 35.03 33.18 1gjw n LYS 480 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1gjw h MET 481 N -0.37 0.00 0.00 1.97 2.86 0.07 -1.59 114.93 117.87 1gjw h MET 481 Ca -0.59 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 1gjw h MET 481 Cb 1.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.40 1gjw h MET 481 CO -0.21 0.06 0.00 1.57 1.06 0.00 0.00 176.91 179.39 1gjw h LYS 482 N 0.00 0.00 0.00 1.72 2.10 -1.13 -1.05 116.57 118.20 1gjw h LYS 482 Ca -0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1gjw h LYS 482 Cb 0.32 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.61 1gjw h LYS 482 CO 0.01 0.00 -1.72 1.63 -2.00 0.00 0.00 179.45 177.37 1gjw n LYS 483 N -2.63 0.31 -0.16 0.07 5.02 -1.01 -4.58 118.16 115.17 1gjw n LYS 483 Ca 0.01 0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 1gjw n LYS 483 Cb 0.22 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1gjw n LYS 483 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1gjw h LEU 484 N -0.07 0.71 -0.07 -0.35 6.46 -1.27 -2.72 115.31 118.01 1gjw h LEU 484 Ca -0.29 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 1gjw h LEU 484 Cb 1.41 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1gjw h LEU 484 CO -0.07 0.77 0.04 0.00 -0.62 0.00 0.00 178.44 178.56 1gjw h ALA 485 N 0.97 0.09 -0.10 1.25 0.00 -1.43 -2.08 119.26 117.96 1gjw h ALA 485 Ca 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1gjw h ALA 485 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1gjw h ALA 485 CO 0.00 -0.41 -0.38 -1.00 0.00 0.00 0.00 179.25 177.47 1gjw h PRO 486 N 0.07 0.22 0.24 0.00 0.13 -1.75 -1.59 132.00 129.32 1gjw h PRO 486 Ca 0.03 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1gjw h PRO 486 Cb 0.01 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1gjw h PRO 486 CO -0.01 0.57 -0.15 0.35 -0.23 0.00 0.00 178.00 178.53 1gjw h PHE 487 N 0.19 -0.40 -0.57 1.56 3.57 -1.28 0.35 116.94 120.35 1gjw h PHE 487 Ca 0.02 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1gjw h PHE 487 Cb 0.75 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1gjw h PHE 487 CO 0.01 -0.24 0.20 0.28 -2.23 0.00 0.00 178.31 176.33 1gjw h VAL 488 N -0.38 1.23 -0.08 1.41 2.07 -1.30 -3.22 116.25 115.98 1gjw h VAL 488 Ca -0.02 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1gjw h VAL 488 Cb 0.32 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1gjw h VAL 488 CO 0.02 0.29 -0.15 0.74 0.02 0.00 0.00 177.57 178.48 1gjw h THR 489 N 0.79 1.40 0.00 2.57 2.02 -1.14 -3.25 112.91 115.30 1gjw h THR 489 Ca 0.19 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1gjw h THR 489 Cb 0.25 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1gjw h THR 489 CO -0.01 0.41 0.00 1.88 0.37 0.00 0.00 175.52 178.17 1gjw h TYR 490 N -0.22 0.00 -0.21 3.16 0.99 -0.35 -2.10 116.97 118.24 1gjw h TYR 490 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1gjw h TYR 490 Cb 0.73 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.46 1gjw h TYR 490 CO 0.11 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.46 1gjw n PHE 491 N -2.75 0.25 -1.04 4.88 3.01 -1.22 -4.71 117.46 115.89 1gjw n PHE 491 Ca -0.01 -0.13 -0.31 0.00 1.01 0.00 0.00 57.45 58.01 1gjw n PHE 491 Cb 0.13 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.72 1gjw n PHE 491 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1gjw s LEU 492 N -1.72 2.97 0.38 4.37 1.43 -0.79 -4.94 118.68 120.38 1gjw s LEU 492 Ca 0.34 1.99 -0.26 0.00 -1.03 0.00 0.00 54.13 55.17 1gjw s LEU 492 Cb 0.21 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 1gjw s LEU 492 CO 0.31 -2.47 1.18 -2.84 0.23 0.00 0.00 176.35 172.75 1gjw s PRO 493 N -4.76 4.15 -0.89 1.29 0.02 -1.26 -2.91 135.00 130.64 1gjw s PRO 493 Ca 0.64 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1gjw s PRO 493 Cb -0.20 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.55 1gjw s PRO 493 CO 0.56 -0.25 0.00 0.09 -0.33 0.00 0.00 177.00 177.08 1gjw n ASN 494 N 0.27 -4.49 -4.85 2.53 3.02 -1.26 -4.53 115.26 105.94 1gjw n ASN 494 Ca 0.03 0.21 -0.33 0.00 -0.03 0.00 0.00 54.58 54.46 1gjw n ASN 494 Cb 0.46 -2.74 -0.06 0.00 -0.61 0.00 0.00 39.78 36.83 1gjw n ASN 494 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1gjw s SER 495 N -2.63 6.81 -0.37 6.41 1.04 -1.14 -1.38 113.70 122.44 1gjw s SER 495 Ca 0.00 1.24 0.01 0.00 0.48 0.00 0.00 55.95 57.69 1gjw s SER 495 Cb 0.00 -2.36 0.11 0.00 0.10 0.00 0.00 66.02 63.88 1gjw s SER 495 CO 0.00 -0.12 0.14 -0.63 0.98 0.00 0.00 173.24 173.61 1gjw s ILE 496 N -1.84 1.45 0.13 -1.02 1.01 -0.61 -4.87 121.20 115.44 1gjw s ILE 496 Ca 0.50 -2.06 -0.34 0.00 0.00 0.00 0.00 60.65 58.74 1gjw s ILE 496 Cb -0.12 -2.06 -0.17 0.00 0.01 0.00 0.00 42.46 40.13 1gjw s ILE 496 CO 0.19 -0.73 1.10 -2.65 0.00 0.00 0.00 174.94 172.85 1gjw n PRO 497 N 4.23 0.81 -4.61 2.79 -0.02 -1.26 -1.33 135.00 135.61 1gjw n PRO 497 Ca 0.03 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.50 1gjw n PRO 497 Cb 0.39 -1.76 -0.17 0.00 -0.02 0.00 0.00 33.50 31.95 1gjw n PRO 497 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1gjw s TYR 498 N -0.14 2.18 -0.23 6.00 5.04 -0.75 -1.26 117.35 128.19 1gjw s TYR 498 Ca 0.77 -1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 54.35 1gjw s TYR 498 Cb -0.96 -1.53 -0.00 0.00 0.35 0.00 0.00 41.96 39.82 1gjw s TYR 498 CO 0.53 -0.49 -0.04 0.08 -1.34 0.00 0.00 175.55 174.29 1gjw s VAL 499 N 0.84 3.34 0.10 3.14 1.01 0.30 -4.60 120.40 124.52 1gjw s VAL 499 Ca -0.09 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 1gjw s VAL 499 Cb -0.15 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 1gjw s VAL 499 CO 0.00 0.36 0.83 0.21 0.00 0.00 0.00 175.10 176.50 1gjw s ASN 500 N 1.46 7.35 0.06 3.32 3.04 -1.26 -0.82 114.94 128.09 1gjw s ASN 500 Ca 0.05 1.61 -0.33 0.00 0.04 0.00 0.00 52.86 54.23 1gjw s ASN 500 Cb -0.15 -2.51 -0.12 0.00 -1.54 0.00 0.00 41.25 36.93 1gjw s ASN 500 CO -0.03 0.05 1.77 1.07 -3.04 0.00 0.00 177.10 176.92 1gjw n THR 501 N 2.46 0.33 0.00 -5.21 5.66 -0.04 0.07 114.28 117.55 1gjw n THR 501 Ca -0.02 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1gjw n THR 501 Cb 0.49 -1.85 0.00 0.00 -1.55 0.00 0.00 70.33 67.42 1gjw n THR 501 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1gjw n GLY 502 N 4.03 3.01 0.30 1.09 0.00 -1.26 -4.90 105.19 107.46 1gjw n GLY 502 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1gjw n GLY 502 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gjw h GLN 503 N 0.76 0.77 -0.01 1.61 4.15 -0.69 -1.06 115.11 120.64 1gjw h GLN 503 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1gjw h GLN 503 Cb 0.00 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.52 1gjw h GLN 503 CO 0.00 0.51 0.02 1.05 -1.93 0.00 0.00 178.83 178.48 1gjw h GLU 504 N 0.79 0.00 -0.28 1.69 9.09 -1.91 0.29 114.58 124.25 1gjw h GLU 504 Ca 0.37 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.74 1gjw h GLU 504 Cb 0.28 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.36 1gjw h GLU 504 CO -0.22 0.00 0.00 0.44 0.05 0.00 0.00 179.01 179.28 1gjw n ILE 505 N -3.49 2.34 -3.53 -1.06 -5.35 -0.67 -2.13 119.36 105.47 1gjw n ILE 505 Ca -0.03 -2.03 -0.23 0.00 -0.27 0.00 0.00 62.75 60.20 1gjw n ILE 505 Cb 0.10 -0.27 0.07 0.00 -1.74 0.00 0.00 39.64 37.80 1gjw n ILE 505 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gjw n GLY 506 N -0.64 -0.47 3.77 3.28 0.00 0.09 -1.22 105.19 109.99 1gjw n GLY 506 Ca 0.24 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 1gjw n GLY 506 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gjw s GLU 507 N -6.24 4.12 -0.23 1.61 2.56 -0.49 -4.84 118.70 115.19 1gjw s GLU 507 Ca 0.55 2.56 -0.07 0.00 0.00 0.00 0.00 54.97 58.02 1gjw s GLU 507 Cb -0.24 -2.98 -0.12 0.00 2.00 0.00 0.00 34.13 32.78 1gjw s GLU 507 CO 0.68 -0.54 -0.27 1.63 -0.56 0.00 0.00 175.26 176.20 1gjw n LYS 508 N 0.87 0.53 -1.74 4.30 5.02 -1.26 -4.47 118.16 121.41 1gjw n LYS 508 Ca 0.03 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.08 1gjw n LYS 508 Cb 0.39 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1gjw n LYS 508 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1gjw s GLN 509 N -2.44 4.13 0.64 1.97 2.00 -1.26 -4.38 119.66 120.31 1gjw s GLN 509 Ca -0.32 2.60 -0.13 0.00 -2.00 0.00 0.00 55.36 55.50 1gjw s GLN 509 Cb 0.11 -3.09 -0.02 0.00 0.80 0.00 0.00 33.01 30.81 1gjw s GLN 509 CO 0.46 -0.75 1.05 -1.25 -0.50 0.00 0.00 175.29 174.30 1gjw s PRO 510 N 1.22 3.16 0.06 1.67 0.04 -1.26 -4.85 135.00 135.05 1gjw s PRO 510 Ca 0.75 1.07 0.14 0.00 0.04 0.00 0.00 61.00 63.00 1gjw s PRO 510 Cb -0.49 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 31.88 1gjw s PRO 510 CO 0.32 -0.93 0.90 0.52 0.04 0.00 0.00 177.00 177.85 1gjw h MET 511 N -0.11 0.00 -2.31 4.56 2.86 -1.84 -3.40 114.93 114.70 1gjw h MET 511 Ca -0.45 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.11 1gjw h MET 511 Cb 1.21 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.68 1gjw h MET 511 CO 0.57 0.46 0.04 1.21 1.06 0.00 0.00 176.91 180.25 1gjw s ASN 512 N -6.07 -0.54 -0.46 1.22 2.47 -1.20 -2.05 114.94 108.32 1gjw s ASN 512 Ca -0.02 0.64 0.00 0.00 0.42 0.00 0.00 52.86 53.91 1gjw s ASN 512 Cb 0.08 0.60 0.44 0.00 -1.45 0.00 0.00 41.25 40.92 1gjw s ASN 512 CO 0.81 -0.50 1.91 0.18 -3.72 0.00 0.00 177.10 175.77 1gjw n LEU 513 N 1.31 6.72 0.00 3.21 4.77 -1.26 -4.39 117.00 127.36 1gjw n LEU 513 Ca -0.19 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.18 1gjw n LEU 513 Cb 0.57 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1gjw n LEU 513 CO 0.21 1.19 0.20 0.61 -1.33 0.00 0.00 177.39 178.26 1gjw n GLY 514 N -0.61 -1.73 3.84 -0.72 0.00 -1.18 -4.50 105.19 100.28 1gjw n GLY 514 Ca 0.50 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.14 1gjw n GLY 514 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gjw s LEU 515 N -1.19 4.45 -1.13 0.99 1.43 0.55 -4.47 118.68 119.31 1gjw s LEU 515 Ca 0.00 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 53.86 1gjw s LEU 515 Cb 0.00 -2.51 0.11 0.00 0.03 0.00 0.00 46.19 43.82 1gjw s LEU 515 CO 0.00 0.33 0.39 -0.67 0.23 0.00 0.00 176.35 176.63 1gjw n ASP 516 N 1.92 -2.32 -4.63 2.29 4.64 -1.26 -4.24 116.55 112.95 1gjw n ASP 516 Ca -0.15 -0.43 -0.29 0.00 -1.38 0.00 0.00 54.79 52.54 1gjw n ASP 516 Cb 0.53 -2.00 -0.09 0.00 -1.04 0.00 0.00 41.12 38.52 1gjw n ASP 516 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1gjw s THR 517 N -2.78 3.62 -0.18 5.18 2.01 -1.26 -4.61 115.64 117.62 1gjw s THR 517 Ca 0.44 -1.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 1gjw s THR 517 Cb -0.25 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1gjw s THR 517 CO 0.54 0.06 -0.06 -0.62 -0.69 0.00 0.00 174.62 173.85 1gjw s ASP 518 N -2.41 4.42 0.59 3.53 2.15 -1.26 -4.99 116.67 118.70 1gjw s ASP 518 Ca 0.24 -0.28 0.29 0.00 0.43 0.00 0.00 52.55 53.23 1gjw s ASP 518 Cb -0.11 -1.73 1.37 0.00 -0.30 0.00 0.00 42.92 42.16 1gjw s ASP 518 CO 0.16 0.09 1.77 -0.65 -0.17 0.00 0.00 175.17 176.37 1gjw h PRO 519 N 7.30 0.00 0.00 4.34 0.11 -1.99 0.28 132.00 142.04 1gjw h PRO 519 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1gjw h PRO 519 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1gjw h PRO 519 CO 0.60 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.48 1gjw h ASN 520 N 0.00 0.00 0.36 -2.05 2.35 -2.01 -1.85 115.58 112.38 1gjw h ASN 520 Ca 0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1gjw h ASN 520 Cb 1.57 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.94 1gjw h ASN 520 CO -0.00 0.00 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.58 1gjw h LEU 521 N 0.00 0.00 -2.25 1.61 3.38 -0.85 -1.81 115.31 115.39 1gjw h LEU 521 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gjw h LEU 521 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1gjw h LEU 521 CO 0.00 0.13 0.23 -0.09 0.09 0.00 0.00 178.44 178.80 1gjw h ARG 522 N 0.00 0.00 -0.14 1.13 2.43 -1.50 -2.48 114.38 113.82 1gjw h ARG 522 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1gjw h ARG 522 Cb 0.35 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1gjw h ARG 522 CO 0.02 0.00 -0.30 0.36 -1.51 0.00 0.00 179.97 178.54 1gjw n LYS 523 N -2.91 1.70 0.24 0.20 2.85 -0.68 -3.17 118.16 116.39 1gjw n LYS 523 Ca -0.02 -3.21 0.12 0.00 -1.05 0.00 0.00 58.31 54.14 1gjw n LYS 523 Cb 0.28 -1.70 0.50 0.00 -0.65 0.00 0.00 35.03 33.46 1gjw n LYS 523 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1gjw h VAL 524 N 0.97 0.35 -3.97 0.58 -1.51 -1.59 -3.45 116.25 107.63 1gjw h VAL 524 Ca 0.09 -0.95 -0.47 0.00 -1.23 0.00 0.00 66.70 64.13 1gjw h VAL 524 Cb 1.27 1.72 0.07 0.00 -2.13 0.00 0.00 31.29 32.22 1gjw h VAL 524 CO 0.16 0.14 0.27 -0.76 -1.23 0.00 0.00 177.57 176.15 1gjw s LEU 525 N -6.56 2.99 0.31 4.19 1.43 -1.26 -5.00 118.68 114.79 1gjw s LEU 525 Ca 0.01 0.76 -0.29 0.00 -1.03 0.00 0.00 54.13 53.58 1gjw s LEU 525 Cb 0.09 -3.51 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 1gjw s LEU 525 CO 0.61 -1.33 1.23 -0.55 0.23 0.00 0.00 176.35 176.54 1gjw s SER 526 N -4.39 6.94 0.37 2.29 0.15 -1.26 -4.89 113.70 112.91 1gjw s SER 526 Ca 0.57 2.54 0.25 0.00 0.70 0.00 0.00 55.95 60.01 1gjw s SER 526 Cb -0.11 -2.64 1.34 0.00 -1.71 0.00 0.00 66.02 62.90 1gjw s SER 526 CO 0.47 -0.40 1.76 1.55 1.20 0.00 0.00 173.24 177.82 1gjw h PRO 527 N 3.52 0.00 -0.01 5.44 0.13 -1.95 0.40 132.00 139.54 1gjw h PRO 527 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1gjw h PRO 527 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1gjw h PRO 527 CO 0.66 0.00 -0.36 0.25 -0.23 0.00 0.00 178.00 178.32 1gjw n THR 528 N -2.37 0.00 -2.30 1.56 -2.24 -1.26 -4.89 114.28 102.79 1gjw n THR 528 Ca -0.02 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1gjw n THR 528 Cb 0.05 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1gjw n THR 528 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gjw s ASP 529 N -2.66 6.91 0.42 3.42 -1.08 0.14 -4.90 116.67 118.93 1gjw s ASP 529 Ca 0.20 2.02 0.23 0.00 -0.52 0.00 0.00 52.55 54.47 1gjw s ASP 529 Cb 0.19 -2.56 1.23 0.00 -1.46 0.00 0.00 42.92 40.31 1gjw s ASP 529 CO 0.58 -0.68 1.72 -0.08 0.52 0.00 0.00 175.17 177.24 1gjw h GLU 530 N 7.72 0.27 -0.68 4.34 4.81 -1.90 0.93 114.58 130.06 1gjw h GLU 530 Ca -0.37 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1gjw h GLU 530 Cb 1.17 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1gjw h GLU 530 CO 0.90 0.18 0.07 1.19 -0.73 0.00 0.00 179.01 180.61 1gjw n PHE 531 N -4.64 1.93 -1.66 0.92 3.01 -1.26 -4.99 117.46 110.78 1gjw n PHE 531 Ca 0.29 -0.76 -0.47 0.00 1.01 0.00 0.00 57.45 57.53 1gjw n PHE 531 Cb 1.07 -0.51 -0.04 0.00 -0.01 0.00 0.00 39.48 39.99 1gjw n PHE 531 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1gjw n PHE 532 N 0.37 2.15 0.00 1.38 7.35 0.32 -2.04 117.46 126.98 1gjw n PHE 532 Ca 0.28 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.31 1gjw n PHE 532 Cb 1.14 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 38.46 1gjw n PHE 532 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1gjw n GLY 533 N 3.18 2.70 3.77 7.13 0.00 -1.19 -5.01 105.19 115.76 1gjw n GLY 533 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1gjw n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gjw s LYS 534 N 0.00 4.65 -0.26 1.61 -0.14 -0.87 -4.96 119.74 119.77 1gjw s LYS 534 Ca 0.00 1.34 -0.02 0.00 -1.36 0.00 0.00 55.97 55.92 1gjw s LYS 534 Cb 0.00 -3.01 0.03 0.00 -1.68 0.00 0.00 37.83 33.17 1gjw s LYS 534 CO 0.00 0.39 -0.04 -0.51 -0.76 0.00 0.00 175.35 174.44 1gjw s LEU 535 N -1.68 3.36 0.51 3.17 1.43 -1.26 -4.86 118.68 119.36 1gjw s LEU 535 Ca 0.45 -0.90 0.39 0.00 -1.03 0.00 0.00 54.13 53.04 1gjw s LEU 535 Cb -0.21 -1.70 1.56 0.00 0.03 0.00 0.00 46.19 45.87 1gjw s LEU 535 CO 0.27 -0.15 1.67 0.00 0.23 0.00 0.00 176.35 178.36 1gjw h ALA 536 N 8.04 3.26 0.00 4.21 0.00 -1.67 0.24 119.26 133.33 1gjw h ALA 536 Ca -0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1gjw h ALA 536 Cb 1.10 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1gjw h ALA 536 CO 0.57 -1.76 -0.22 0.74 0.00 0.00 0.00 179.25 178.59 1gjw h PHE 537 N 0.05 0.00 0.00 0.00 -1.00 -1.79 -3.29 116.94 110.91 1gjw h PHE 537 Ca 0.77 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.55 1gjw h PHE 537 Cb 2.87 0.00 0.00 0.00 3.61 0.00 0.00 35.95 42.43 1gjw h PHE 537 CO -0.00 0.22 0.00 1.19 -1.61 0.00 0.00 178.31 178.10 1gjw n PHE 538 N -4.24 0.00 -3.87 -0.55 3.01 -0.04 -3.59 117.46 108.18 1gjw n PHE 538 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.34 1gjw n PHE 538 Cb 0.28 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.66 1gjw n PHE 538 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1gjw s ASP 539 N -0.10 0.10 0.19 4.37 1.01 -0.54 -1.55 116.67 120.14 1gjw s ASP 539 Ca 0.00 -0.51 -0.31 0.00 0.71 0.00 0.00 52.55 52.44 1gjw s ASP 539 Cb 0.00 0.29 -0.10 0.00 1.01 0.00 0.00 42.92 44.13 1gjw s ASP 539 CO 0.00 -0.61 1.50 -1.00 0.21 0.00 0.00 175.17 175.27 1gjw s HIS 540 N -3.06 3.06 -0.12 4.23 3.76 -1.26 -4.23 115.29 117.67 1gjw s HIS 540 Ca -0.01 0.81 -0.08 0.00 -0.15 0.00 0.00 55.06 55.63 1gjw s HIS 540 Cb 0.01 -3.86 0.04 0.00 1.11 0.00 0.00 32.58 29.88 1gjw s HIS 540 CO -0.07 -3.03 0.29 -0.47 -0.85 0.00 0.00 174.74 170.62 1gjw s TYR 541 N 0.70 -0.38 -0.17 1.40 5.04 -1.26 -4.92 117.35 117.75 1gjw s TYR 541 Ca 0.65 0.88 -0.01 0.00 -2.44 0.00 0.00 57.07 56.15 1gjw s TYR 541 Cb -0.42 0.11 -0.00 0.00 0.35 0.00 0.00 41.96 41.99 1gjw s TYR 541 CO 0.36 -0.22 -0.12 0.08 -1.34 0.00 0.00 175.55 174.31 1gjw s VAL 542 N 0.86 2.90 0.91 3.14 1.01 -1.26 -4.70 120.40 123.26 1gjw s VAL 542 Ca -0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1gjw s VAL 542 Cb -0.07 -2.26 0.14 0.00 0.00 0.00 0.00 36.38 34.19 1gjw s VAL 542 CO -0.06 0.49 1.15 -0.76 0.00 0.00 0.00 175.10 175.92 1gjw s LEU 543 N 0.99 2.87 -1.50 3.92 1.43 -1.26 -4.87 118.68 120.26 1gjw s LEU 543 Ca -0.01 2.20 -0.08 0.00 -1.03 0.00 0.00 54.13 55.20 1gjw s LEU 543 Cb -0.15 -4.57 -0.00 0.00 0.03 0.00 0.00 46.19 41.50 1gjw s LEU 543 CO -0.02 -3.07 2.71 1.41 0.23 0.00 0.00 176.35 177.62 1gjw n HIS 544 N -4.17 2.52 0.25 0.29 8.25 -1.26 -4.64 115.22 116.46 1gjw n HIS 544 Ca 0.12 -2.99 0.07 0.00 -0.26 0.00 0.00 57.72 54.67 1gjw n HIS 544 Cb 0.52 -2.23 0.61 0.00 1.12 0.00 0.00 29.99 30.00 1gjw n HIS 544 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1gjw h TRP 545 N 4.87 0.00 0.00 4.41 4.06 -1.97 -1.88 115.95 125.45 1gjw h TRP 545 Ca 0.80 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.75 1gjw h TRP 545 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1gjw h TRP 545 CO 1.76 0.06 0.00 -0.25 -3.56 0.00 0.00 178.44 176.45 1gjw n ASP 546 N -4.43 0.58 -3.15 -3.49 8.00 -1.26 -4.01 116.55 108.79 1gjw n ASP 546 Ca -0.03 0.56 -0.18 0.00 0.71 0.00 0.00 54.79 55.86 1gjw n ASP 546 Cb 0.14 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 1gjw n ASP 546 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1gjw n SER 547 N -2.05 0.47 -4.82 -2.24 3.41 -0.73 -5.05 113.62 102.61 1gjw n SER 547 Ca 0.06 -3.02 -0.31 0.00 -0.26 0.00 0.00 58.87 55.34 1gjw n SER 547 Cb 0.38 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1gjw n SER 547 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gjw s PRO 548 N -2.04 2.76 -0.86 4.33 0.04 -1.08 -4.95 135.00 133.21 1gjw s PRO 548 Ca 0.38 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 1gjw s PRO 548 Cb 0.32 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 33.00 1gjw s PRO 548 CO -0.08 -1.19 1.07 0.34 0.04 0.00 0.00 177.00 177.18 1gjw s ASP 549 N -3.89 6.52 0.43 6.66 -1.08 -0.36 -4.85 116.67 120.10 1gjw s ASP 549 Ca 0.58 -1.81 0.15 0.00 -0.52 0.00 0.00 52.55 50.96 1gjw s ASP 549 Cb -0.14 -2.40 0.95 0.00 -1.46 0.00 0.00 42.92 39.88 1gjw s ASP 549 CO 0.55 -1.14 1.95 0.03 0.52 0.00 0.00 175.17 177.07 1gjw h ARG 550 N 9.00 0.00 -0.67 4.34 3.08 -1.91 -1.62 114.38 126.59 1gjw h ARG 550 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1gjw h ARG 550 Cb 1.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 1gjw h ARG 550 CO 1.12 0.23 0.22 0.78 -1.07 0.00 0.00 179.97 181.26 1gjw h GLY 551 N 0.75 1.10 1.01 0.04 0.00 -1.95 -1.13 103.07 102.89 1gjw h GLY 551 Ca -0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 47.33 46.52 1gjw h GLY 551 CO 0.03 0.58 -0.66 -2.08 0.00 0.00 0.00 176.54 174.42 1gjw h VAL 552 N 0.99 1.33 -0.34 4.60 2.07 -1.73 -2.55 116.25 120.62 1gjw h VAL 552 Ca 0.22 -1.93 0.06 0.00 0.82 0.00 0.00 66.70 65.87 1gjw h VAL 552 Cb 0.27 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1gjw h VAL 552 CO -0.01 0.59 0.00 0.25 0.02 0.00 0.00 177.57 178.43 1gjw h LEU 553 N 0.29 -0.13 -0.32 2.57 5.85 -0.77 -0.54 115.31 122.26 1gjw h LEU 553 Ca -0.05 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1gjw h LEU 553 Cb 1.30 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1gjw h LEU 553 CO 0.13 -0.03 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.06 1gjw h ASN 554 N 0.10 0.56 -0.56 1.25 -1.24 -1.26 -2.67 115.58 111.76 1gjw h ASN 554 Ca 0.16 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.86 1gjw h ASN 554 Cb 0.22 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 1gjw h ASN 554 CO -0.27 0.74 0.36 0.15 -1.29 0.00 0.00 177.43 177.12 1gjw h PHE 555 N 0.36 0.72 -0.44 0.67 3.57 -1.20 -1.54 116.94 119.08 1gjw h PHE 555 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1gjw h PHE 555 Cb 0.46 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1gjw h PHE 555 CO 0.04 0.47 0.26 0.82 -2.23 0.00 0.00 178.31 177.66 1gjw h ILE 556 N 0.76 1.04 -0.32 1.41 1.08 -1.06 0.45 117.51 120.87 1gjw h ILE 556 Ca 0.20 -0.18 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1gjw h ILE 556 Cb -0.06 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1gjw h ILE 556 CO -0.04 0.09 0.17 0.11 -0.69 0.00 0.00 178.15 177.80 1gjw h LYS 557 N 0.52 0.35 -0.25 2.37 1.57 -1.16 -1.37 116.57 118.60 1gjw h LYS 557 Ca 0.18 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1gjw h LYS 557 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1gjw h LYS 557 CO -0.09 0.23 -0.37 0.87 -0.57 0.00 0.00 179.45 179.52 1gjw h LYS 558 N 0.36 0.55 -0.21 3.15 1.57 -0.79 -2.21 116.57 119.00 1gjw h LYS 558 Ca 0.13 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1gjw h LYS 558 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1gjw h LYS 558 CO -0.07 0.84 0.07 1.25 -0.57 0.00 0.00 179.45 180.97 1gjw h LEU 559 N 0.46 0.30 -0.83 2.94 5.85 0.14 -0.71 115.31 123.46 1gjw h LEU 559 Ca 0.05 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1gjw h LEU 559 Cb 0.85 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1gjw h LEU 559 CO 0.07 0.41 0.39 0.40 -0.34 0.00 0.00 178.44 179.38 1gjw h ILE 560 N 0.17 1.26 -0.43 4.05 1.08 -1.19 0.06 117.51 122.52 1gjw h ILE 560 Ca 0.07 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 1gjw h ILE 560 Cb 0.21 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 1gjw h ILE 560 CO -0.00 0.31 0.10 0.50 -0.69 0.00 0.00 178.15 178.37 1gjw h LYS 561 N 1.19 0.69 -0.46 2.37 3.64 -1.21 -0.55 116.57 122.24 1gjw h LYS 561 Ca 0.29 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 1gjw h LYS 561 Cb 0.13 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1gjw h LYS 561 CO -0.03 0.70 -0.26 0.28 -2.27 0.00 0.00 179.45 177.86 1gjw h VAL 562 N 0.56 1.27 -0.81 2.00 2.07 -0.90 -1.02 116.25 119.41 1gjw h VAL 562 Ca 0.13 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1gjw h VAL 562 Cb 0.32 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1gjw h VAL 562 CO 0.00 0.49 0.44 -0.09 0.02 0.00 0.00 177.57 178.44 1gjw h ARG 563 N 0.83 1.13 -0.03 1.57 1.12 -0.84 -1.71 114.38 116.45 1gjw h ARG 563 Ca 0.10 -0.13 -0.16 0.00 -1.11 0.00 0.00 59.98 58.69 1gjw h ARG 563 Cb 0.84 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.56 1gjw h ARG 563 CO 0.07 0.82 -0.69 0.45 -3.11 0.00 0.00 179.97 177.51 1gjw h HIS 564 N 1.13 0.18 -0.21 2.20 3.86 -0.87 -2.00 115.15 119.44 1gjw h HIS 564 Ca 0.29 -0.08 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 1gjw h HIS 564 Cb 0.02 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1gjw h HIS 564 CO 0.01 0.78 0.16 1.49 0.86 0.00 0.00 177.93 181.23 1gjw h GLU 565 N 0.09 0.00 -0.20 2.45 4.81 -0.28 -2.24 114.58 119.20 1gjw h GLU 565 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1gjw h GLU 565 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1gjw h GLU 565 CO 0.10 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.57 1gjw n PHE 566 N -4.37 0.70 -0.29 0.92 3.01 -0.95 -4.75 117.46 111.73 1gjw n PHE 566 Ca 0.02 -0.87 0.18 0.00 1.01 0.00 0.00 57.45 57.79 1gjw n PHE 566 Cb 0.30 -0.26 0.47 0.00 -0.01 0.00 0.00 39.48 39.98 1gjw n PHE 566 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1gjw h LEU 567 N 1.40 0.51 -1.59 4.37 5.85 -0.73 -0.70 115.31 124.41 1gjw h LEU 567 Ca 0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1gjw h LEU 567 Cb 1.29 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1gjw h LEU 567 CO 0.16 0.18 0.07 -0.78 -0.34 0.00 0.00 178.44 177.72 1gjw h ASP 568 N 0.49 0.29 0.19 1.25 3.58 -1.85 -0.20 116.42 120.18 1gjw h ASP 568 Ca 0.52 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 1gjw h ASP 568 Cb 1.17 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1gjw h ASP 568 CO -0.25 0.30 -0.09 -0.26 -2.88 0.00 0.00 179.24 176.06 1gjw h PHE 569 N 0.33 -0.24 -0.40 0.28 -1.00 -1.51 0.19 116.94 114.59 1gjw h PHE 569 Ca 0.08 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.93 1gjw h PHE 569 Cb 0.12 0.08 -0.06 0.00 3.61 0.00 0.00 35.95 39.69 1gjw h PHE 569 CO 0.00 0.12 0.02 0.28 -1.61 0.00 0.00 178.31 177.13 1gjw h VAL 570 N -0.65 0.72 -0.06 -0.55 2.07 -1.40 0.45 116.25 116.83 1gjw h VAL 570 Ca -0.03 -0.04 -0.23 0.00 0.82 0.00 0.00 66.70 67.22 1gjw h VAL 570 Cb 0.47 0.58 0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1gjw h VAL 570 CO 0.04 0.02 -0.86 -0.07 0.02 0.00 0.00 177.57 176.73 1gjw h LEU 571 N 0.13 0.86 -0.25 2.57 3.38 -1.09 -3.41 115.31 117.49 1gjw h LEU 571 Ca 0.20 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1gjw h LEU 571 Cb 0.27 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1gjw h LEU 571 CO -0.31 1.43 0.00 0.59 0.09 0.00 0.00 178.44 180.24 1gjw n ASN 572 N -3.96 0.25 -4.70 -0.43 3.02 0.04 -5.03 115.26 104.45 1gjw n ASN 572 Ca -0.10 -0.61 -0.29 0.00 -0.03 0.00 0.00 54.58 53.55 1gjw n ASN 572 Cb 0.79 0.67 0.15 0.00 -0.61 0.00 0.00 39.78 40.78 1gjw n ASN 572 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gjw s GLY 573 N -0.67 1.59 -0.06 7.41 0.00 0.16 -4.99 107.32 110.76 1gjw s GLY 573 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.28 1gjw s GLY 573 CO 0.00 0.33 0.68 -1.59 0.00 0.00 0.00 173.10 172.52 1gjw s LYS 574 N -4.96 4.43 0.10 2.90 -2.85 0.61 -4.78 119.74 115.19 1gjw s LYS 574 Ca 0.64 0.85 -0.14 0.00 -1.00 0.00 0.00 55.97 56.32 1gjw s LYS 574 Cb -0.18 -3.44 -0.07 0.00 -2.06 0.00 0.00 37.83 32.09 1gjw s LYS 574 CO 0.57 0.09 0.51 0.12 0.10 0.00 0.00 175.35 176.74 1gjw s PHE 575 N 0.71 3.65 -0.08 1.78 2.19 -1.26 -0.94 117.98 124.03 1gjw s PHE 575 Ca 0.36 1.04 -0.03 0.00 0.33 0.00 0.00 56.93 58.63 1gjw s PHE 575 Cb -0.18 -2.34 0.04 0.00 -1.31 0.00 0.00 43.02 39.23 1gjw s PHE 575 CO 0.18 0.50 0.17 -2.00 1.83 0.00 0.00 175.22 175.89 1gjw s GLU 576 N -1.68 0.07 0.03 10.12 2.12 -0.43 -4.98 118.70 123.94 1gjw s GLU 576 Ca 0.33 0.50 -0.28 0.00 0.36 0.00 0.00 54.97 55.89 1gjw s GLU 576 Cb -0.16 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.97 1gjw s GLU 576 CO 0.18 -0.24 0.88 1.21 -0.54 0.00 0.00 175.26 176.75 1gjw s ASN 577 N 1.82 7.31 -0.05 -1.70 3.04 -1.26 -0.62 114.94 123.48 1gjw s ASN 577 Ca -0.02 1.57 0.07 0.00 0.04 0.00 0.00 52.86 54.52 1gjw s ASN 577 Cb -0.12 -2.53 0.10 0.00 -1.54 0.00 0.00 41.25 37.17 1gjw s ASN 577 CO -0.06 -0.12 0.97 0.18 -3.04 0.00 0.00 177.10 175.03 1gjw n LEU 578 N 3.33 1.21 -4.76 3.21 4.77 0.12 -4.95 117.00 119.93 1gjw n LEU 578 Ca 0.02 -1.77 -0.41 0.00 -0.03 0.00 0.00 56.01 53.82 1gjw n LEU 578 Cb 0.50 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1gjw n LEU 578 CO 0.50 0.42 1.03 -0.89 -1.33 0.00 0.00 177.39 177.12 1gjw s THR 579 N -1.21 2.65 0.27 -5.08 2.01 -0.20 -4.47 115.64 109.61 1gjw s THR 579 Ca 0.11 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.74 1gjw s THR 579 Cb 0.10 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.21 1gjw s THR 579 CO 0.01 0.13 0.05 0.35 -0.69 0.00 0.00 174.62 174.47 1gjw n THR 580 N 1.28 0.00 0.19 -0.82 -2.24 0.16 -4.91 114.28 107.93 1gjw n THR 580 Ca 0.02 -1.40 -0.15 0.00 -2.27 0.00 0.00 64.05 60.26 1gjw n THR 580 Cb 0.41 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 1gjw n THR 580 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1gjw h LYS 581 N 0.00 -0.63 -0.00 -0.78 1.63 -2.02 -3.06 116.57 111.71 1gjw h LYS 581 Ca -0.21 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1gjw h LYS 581 Cb 0.73 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1gjw h LYS 581 CO 0.35 -0.42 -0.34 -0.25 -3.45 0.00 0.00 179.45 175.34 1gjw n ASP 582 N -5.44 0.64 -3.80 4.20 10.43 -1.26 -4.84 116.55 116.48 1gjw n ASP 582 Ca -0.09 -0.45 -0.25 0.00 2.57 0.00 0.00 54.79 56.57 1gjw n ASP 582 Cb 0.34 0.12 -0.17 0.00 1.84 0.00 0.00 41.12 43.25 1gjw n ASP 582 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1gjw s LEU 583 N -2.78 0.99 -0.19 0.64 2.96 -1.16 -1.84 118.68 117.30 1gjw s LEU 583 Ca 0.18 -0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 53.48 1gjw s LEU 583 Cb 0.18 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 1gjw s LEU 583 CO 0.60 -0.21 0.70 0.54 -1.32 0.00 0.00 176.35 176.67 1gjw s VAL 584 N 1.85 4.97 -0.16 1.68 0.11 -0.53 0.37 120.40 128.69 1gjw s VAL 584 Ca 0.03 1.35 -0.28 0.00 -2.93 0.00 0.00 61.98 60.14 1gjw s VAL 584 Cb -0.14 -4.01 0.07 0.00 -1.53 0.00 0.00 36.38 30.77 1gjw s VAL 584 CO -0.07 0.08 0.71 -0.32 -3.33 0.00 0.00 175.10 172.18 1gjw s MET 585 N 1.99 0.93 0.23 1.54 0.00 -1.26 -1.69 119.30 121.04 1gjw s MET 585 Ca 0.32 0.61 -0.20 0.00 0.00 0.00 0.00 55.69 56.42 1gjw s MET 585 Cb -0.16 0.45 0.03 0.00 0.00 0.00 0.00 34.83 35.15 1gjw s MET 585 CO 0.11 -0.21 0.63 1.52 0.00 0.00 0.00 175.02 177.06 1gjw s TYR 586 N -0.42 -0.23 0.07 4.11 1.13 -0.97 0.10 117.35 121.16 1gjw s TYR 586 Ca -0.05 -0.14 -0.01 0.00 -1.41 0.00 0.00 57.07 55.46 1gjw s TYR 586 Cb -0.02 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 1gjw s TYR 586 CO 0.05 -1.05 -0.00 -1.54 -2.51 0.00 0.00 175.55 170.50 1gjw s SER 587 N -2.87 0.43 -0.09 -0.18 1.04 0.21 -1.25 113.70 110.99 1gjw s SER 587 Ca 0.09 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.47 1gjw s SER 587 Cb -0.03 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1gjw s SER 587 CO -0.00 -0.64 -0.11 -0.31 0.98 0.00 0.00 173.24 173.16 1gjw s TYR 588 N -3.96 1.54 -0.08 5.02 1.51 -0.84 -1.32 117.35 119.22 1gjw s TYR 588 Ca 0.12 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1gjw s TYR 588 Cb 0.08 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1gjw s TYR 588 CO -0.07 -0.40 -0.16 -2.00 -1.11 0.00 0.00 175.55 171.81 1gjw s GLU 589 N 1.13 2.86 -0.22 -0.62 -6.30 -0.11 -1.61 118.70 113.83 1gjw s GLU 589 Ca -0.06 -0.73 -0.12 0.00 -2.50 0.00 0.00 54.97 51.56 1gjw s GLU 589 Cb -0.14 -2.44 0.07 0.00 0.00 0.00 0.00 34.13 31.62 1gjw s GLU 589 CO -0.02 0.42 0.53 0.21 0.02 0.00 0.00 175.26 176.41 1gjw s LYS 590 N -0.20 0.53 -1.41 4.30 2.20 0.69 -0.28 119.74 125.57 1gjw s LYS 590 Ca -0.00 0.97 -0.02 0.00 -0.36 0.00 0.00 55.97 56.55 1gjw s LYS 590 Cb -0.13 0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.25 1gjw s LYS 590 CO 0.03 -0.15 0.56 0.09 -0.36 0.00 0.00 175.35 175.52 1gjw n ASN 591 N 4.26 -1.09 0.00 1.43 5.03 -1.26 -0.51 115.26 123.12 1gjw n ASN 591 Ca -0.22 -0.94 0.00 0.00 0.87 0.00 0.00 54.58 54.29 1gjw n ASN 591 Cb 0.57 -3.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.96 1gjw n ASN 591 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gjw n GLY 592 N -1.81 1.90 3.97 7.41 0.00 -1.26 -4.98 105.19 110.43 1gjw n GLY 592 Ca -0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1gjw n GLY 592 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gjw s GLN 593 N -0.04 3.34 -0.15 1.61 -0.21 0.33 -5.12 119.66 119.42 1gjw s GLN 593 Ca 0.00 -0.80 -0.14 0.00 0.02 0.00 0.00 55.36 54.44 1gjw s GLN 593 Cb 0.00 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.20 1gjw s GLN 593 CO 0.00 0.29 0.41 0.21 -2.12 0.00 0.00 175.29 174.08 1gjw s LYS 594 N -4.07 0.47 0.13 2.91 2.20 -1.26 -0.22 119.74 119.90 1gjw s LYS 594 Ca 0.38 0.58 0.11 0.00 -0.36 0.00 0.00 55.97 56.68 1gjw s LYS 594 Cb -0.09 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1gjw s LYS 594 CO 0.30 -0.06 -0.26 0.96 -0.36 0.00 0.00 175.35 175.93 1gjw s ILE 595 N 0.30 2.34 -0.06 5.43 -4.36 -0.63 -1.49 121.20 122.72 1gjw s ILE 595 Ca -0.01 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 1gjw s ILE 595 Cb -0.03 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.64 1gjw s ILE 595 CO -0.00 0.08 -0.12 -0.69 0.24 0.00 0.00 174.94 174.44 1gjw s VAL 596 N -1.10 1.14 -0.22 8.37 1.01 0.76 -1.98 120.40 128.38 1gjw s VAL 596 Ca 0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1gjw s VAL 596 Cb -0.10 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1gjw s VAL 596 CO 0.07 0.35 0.10 -0.63 0.00 0.00 0.00 175.10 174.99 1gjw s ILE 597 N 0.62 4.88 0.01 2.22 1.09 -0.38 -0.03 121.20 129.61 1gjw s ILE 597 Ca -0.14 0.01 -0.00 0.00 -1.10 0.00 0.00 60.65 59.42 1gjw s ILE 597 Cb -0.15 -3.25 -0.01 0.00 -1.06 0.00 0.00 42.46 37.99 1gjw s ILE 597 CO 0.04 0.39 -0.00 0.00 -0.10 0.00 0.00 174.94 175.26 1gjw s ALA 598 N 0.89 0.03 -0.15 9.38 0.00 -0.36 -2.28 121.76 129.27 1gjw s ALA 598 Ca 0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 1gjw s ALA 598 Cb -0.13 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.09 1gjw s ALA 598 CO 0.03 -0.07 0.35 0.00 0.00 0.00 0.00 175.76 176.07 1gjw s ALA 599 N -0.58 -0.88 -0.42 0.00 0.00 -0.68 -0.86 121.76 118.34 1gjw s ALA 599 Ca -0.06 1.33 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1gjw s ALA 599 Cb -0.04 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.22 1gjw s ALA 599 CO -0.00 -0.30 0.59 1.21 0.00 0.00 0.00 175.76 177.25 1gjw s ASN 600 N 1.51 6.31 -0.21 0.00 3.04 0.28 -1.46 114.94 124.42 1gjw s ASN 600 Ca -0.08 -0.32 0.15 0.00 0.04 0.00 0.00 52.86 52.65 1gjw s ASN 600 Cb -0.09 -2.30 0.53 0.00 -1.54 0.00 0.00 41.25 37.85 1gjw s ASN 600 CO -0.11 -0.69 1.45 1.33 -3.04 0.00 0.00 177.10 176.03 1gjw n VAL 601 N 5.71 2.37 -2.64 -5.21 0.24 -0.77 0.14 118.33 118.16 1gjw n VAL 601 Ca -0.03 -2.04 -0.02 0.00 -2.04 0.00 0.00 64.34 60.21 1gjw n VAL 601 Cb 0.48 -0.28 0.01 0.00 -1.47 0.00 0.00 33.84 32.58 1gjw n VAL 601 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gjw n GLY 602 N -0.64 1.35 0.02 7.63 0.00 -1.13 -4.92 105.19 107.50 1gjw n GLY 602 Ca 0.25 -2.05 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1gjw n GLY 602 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gjw n LYS 603 N -1.15 0.33 -4.33 1.61 4.76 -1.26 -4.61 118.16 113.52 1gjw n LYS 603 Ca 0.02 -0.04 -0.24 0.00 -2.87 0.00 0.00 58.31 55.17 1gjw n LYS 603 Cb 0.06 -1.56 -0.12 0.00 -1.84 0.00 0.00 35.03 31.56 1gjw n LYS 603 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1gjw s GLU 604 N -3.24 1.24 0.94 1.97 0.41 -1.26 -4.83 118.70 113.94 1gjw s GLU 604 Ca 0.02 -1.29 -0.10 0.00 -0.41 0.00 0.00 54.97 53.19 1gjw s GLU 604 Cb 0.14 -1.49 0.16 0.00 -1.78 0.00 0.00 34.13 31.17 1gjw s GLU 604 CO 0.84 0.33 1.12 -1.25 -0.49 0.00 0.00 175.26 175.82 1gjw s PRO 605 N -2.23 0.80 -0.01 0.39 0.04 -1.26 -4.55 135.00 128.17 1gjw s PRO 605 Ca 0.11 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1gjw s PRO 605 Cb -0.09 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1gjw s PRO 605 CO 0.06 -2.74 0.13 0.15 0.04 0.00 0.00 177.00 174.64 1gjw s LYS 606 N -4.64 0.40 0.10 4.56 1.02 -0.21 -4.97 119.74 115.99 1gjw s LYS 606 Ca 0.67 -0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.48 1gjw s LYS 606 Cb -0.23 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1gjw s LYS 606 CO 0.59 -0.09 -0.14 -2.00 -0.92 0.00 0.00 175.35 172.79 1gjw s GLU 607 N -1.01 1.99 0.15 1.68 2.12 -1.26 0.95 118.70 123.31 1gjw s GLU 607 Ca -0.11 -1.07 -0.07 0.00 0.36 0.00 0.00 54.97 54.08 1gjw s GLU 607 Cb -0.06 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 1gjw s GLU 607 CO 0.01 0.50 0.21 0.96 -0.54 0.00 0.00 175.26 176.41 1gjw s ILE 608 N -1.13 0.08 0.37 -3.70 -4.36 0.48 -4.96 121.20 107.98 1gjw s ILE 608 Ca 0.19 -1.52 -0.27 0.00 -0.26 0.00 0.00 60.65 58.79 1gjw s ILE 608 Cb -0.11 -1.85 -0.12 0.00 1.25 0.00 0.00 42.46 41.63 1gjw s ILE 608 CO 0.11 -0.38 1.17 0.41 0.24 0.00 0.00 174.94 176.49 1gjw n THR 609 N -0.17 2.22 -0.83 8.37 -1.04 -1.26 -0.42 114.28 121.15 1gjw n THR 609 Ca -0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1gjw n THR 609 Cb 0.63 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1gjw n THR 609 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gjw n GLY 610 N 0.95 1.87 0.00 3.41 0.00 0.14 -4.52 105.19 107.05 1gjw n GLY 610 Ca 0.07 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1gjw n GLY 610 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gjw n GLY 611 N 5.00 0.43 3.64 -0.02 0.00 0.11 -4.75 105.19 109.59 1gjw n GLY 611 Ca 0.00 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1gjw n GLY 611 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gjw s ARG 612 N -0.79 4.13 -0.09 1.61 3.52 -0.86 -2.33 118.95 124.13 1gjw s ARG 612 Ca 0.00 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 56.01 1gjw s ARG 612 Cb 0.00 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 1gjw s ARG 612 CO 0.00 -0.26 -0.15 0.08 -0.81 0.00 0.00 175.30 174.16 1gjw s VAL 613 N 2.00 2.93 -0.10 7.11 1.01 0.00 -0.60 120.40 132.75 1gjw s VAL 613 Ca 0.23 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1gjw s VAL 613 Cb -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1gjw s VAL 613 CO 0.09 0.56 -0.21 0.86 0.00 0.00 0.00 175.10 176.40 1gjw s TRP 614 N -0.11 2.60 0.00 5.22 -0.00 0.12 -0.70 118.94 126.08 1gjw s TRP 614 Ca -0.02 -0.86 0.08 0.00 -0.00 0.00 0.00 56.10 55.30 1gjw s TRP 614 Cb -0.14 -1.72 0.13 0.00 -0.00 0.00 0.00 33.47 31.74 1gjw s TRP 614 CO 0.04 -0.31 0.95 0.27 -0.00 0.00 0.00 176.95 177.89 1gjw n ASN 615 N 3.37 0.07 0.00 5.86 6.94 -1.26 0.09 115.26 130.33 1gjw n ASN 615 Ca -0.18 -1.79 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 1gjw n ASN 615 Cb 0.53 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 1gjw n ASN 615 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gjw n GLY 616 N 0.15 0.81 3.06 4.83 0.00 -1.26 -5.01 105.19 107.77 1gjw n GLY 616 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1gjw n GLY 616 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gjw s LYS 617 N 0.00 0.53 -0.06 1.61 2.47 -1.26 -5.03 119.74 118.01 1gjw s LYS 617 Ca 0.00 -0.96 -0.16 0.00 -1.56 0.00 0.00 55.97 53.29 1gjw s LYS 617 Cb 0.00 0.03 -0.05 0.00 -1.46 0.00 0.00 37.83 36.35 1gjw s LYS 617 CO 0.00 -0.05 0.42 -1.58 0.16 0.00 0.00 175.35 174.30 1gjw s TRP 618 N -2.65 3.62 0.27 4.03 0.52 -1.26 -4.15 118.94 119.33 1gjw s TRP 618 Ca -0.03 0.92 0.03 0.00 0.02 0.00 0.00 56.10 57.04 1gjw s TRP 618 Cb -0.01 -2.40 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 1gjw s TRP 618 CO -0.05 0.43 0.23 -1.54 0.02 0.00 0.00 176.95 176.04 1gjw s SER 619 N -0.30 0.93 -0.09 2.95 1.04 0.13 -4.99 113.70 113.37 1gjw s SER 619 Ca 0.24 -1.56 -0.03 0.00 0.48 0.00 0.00 55.95 55.08 1gjw s SER 619 Cb -0.16 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1gjw s SER 619 CO 0.11 -0.98 0.05 -1.81 0.98 0.00 0.00 173.24 171.60 1gjw s ASP 620 N -3.26 1.62 -0.04 7.02 1.11 -1.26 -0.82 116.67 121.03 1gjw s ASP 620 Ca 0.39 -0.17 -0.19 0.00 0.18 0.00 0.00 52.55 52.76 1gjw s ASP 620 Cb 0.04 -0.25 0.04 0.00 1.07 0.00 0.00 42.92 43.82 1gjw s ASP 620 CO 0.20 -0.27 0.42 -1.83 1.18 0.00 0.00 175.17 174.87 1gjw s GLU 621 N 2.10 0.74 0.32 8.23 1.03 -0.99 -5.00 118.70 125.14 1gjw s GLU 621 Ca 0.04 0.04 0.15 0.00 0.03 0.00 0.00 54.97 55.23 1gjw s GLU 621 Cb -0.13 0.34 0.48 0.00 -0.80 0.00 0.00 34.13 34.02 1gjw s GLU 621 CO -0.05 -0.20 1.65 0.93 -1.33 0.00 0.00 175.26 176.25 1gjw h GLU 622 N 3.87 0.00 -5.37 -4.83 4.39 -1.92 0.31 114.58 111.04 1gjw h GLU 622 Ca -0.29 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.95 1gjw h GLU 622 Cb 1.17 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.56 1gjw h GLU 622 CO 0.37 0.49 -0.80 -1.59 -1.16 0.00 0.00 179.01 176.32 1gjw s LYS 623 N -3.49 1.03 -0.15 2.33 -2.85 -1.26 0.26 119.74 115.61 1gjw s LYS 623 Ca 0.00 -0.70 0.02 0.00 -1.00 0.00 0.00 55.97 54.29 1gjw s LYS 623 Cb 0.11 -1.03 0.01 0.00 -2.06 0.00 0.00 37.83 34.86 1gjw s LYS 623 CO 0.72 0.26 -0.21 0.08 0.10 0.00 0.00 175.35 176.30 1gjw s VAL 624 N -0.69 2.04 -0.40 1.79 1.01 0.44 -4.75 120.40 119.83 1gjw s VAL 624 Ca 0.03 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1gjw s VAL 624 Cb -0.07 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.53 1gjw s VAL 624 CO 0.01 0.54 0.27 -0.69 0.00 0.00 0.00 175.10 175.23 1gjw s VAL 625 N 0.93 4.93 -0.52 2.92 1.01 -1.26 -0.38 120.40 128.03 1gjw s VAL 625 Ca -0.04 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1gjw s VAL 625 Cb -0.15 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1gjw s VAL 625 CO -0.04 -0.32 0.69 -0.76 0.00 0.00 0.00 175.10 174.66 1gjw s LEU 626 N 1.61 4.79 1.15 3.92 1.43 0.27 -4.89 118.68 126.96 1gjw s LEU 626 Ca 0.04 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 1gjw s LEU 626 Cb -0.20 -2.52 0.26 0.00 0.03 0.00 0.00 46.19 43.76 1gjw s LEU 626 CO 0.08 -0.96 1.11 -0.54 0.23 0.00 0.00 176.35 176.26 1gjw s LYS 627 N 2.90 -0.82 0.29 1.70 1.02 -1.26 -1.04 119.74 122.52 1gjw s LYS 627 Ca 0.18 0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 1gjw s LYS 627 Cb -0.18 -1.63 -0.11 0.00 -0.52 0.00 0.00 37.83 35.39 1gjw s LYS 627 CO 0.13 -3.48 1.60 -2.14 -0.92 0.00 0.00 175.35 170.55 1gjw s PRO 628 N -5.29 4.11 -1.26 -1.68 0.02 -1.26 -2.49 135.00 127.15 1gjw s PRO 628 Ca 0.69 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.31 1gjw s PRO 628 Cb -0.12 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1gjw s PRO 628 CO 0.56 -0.64 0.00 1.28 -0.33 0.00 0.00 177.00 177.87 1gjw n LEU 629 N 2.18 -1.16 -4.76 -5.54 4.77 0.37 -5.01 117.00 107.84 1gjw n LEU 629 Ca 0.08 0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 1gjw n LEU 629 Cb 0.37 -1.96 -0.05 0.00 -2.33 0.00 0.00 43.42 39.45 1gjw n LEU 629 CO 0.64 -0.48 -0.21 -1.61 -1.33 0.00 0.00 177.39 174.40 1gjw s GLU 630 N -3.64 2.66 0.30 3.23 2.02 -1.04 -4.90 118.70 117.33 1gjw s GLU 630 Ca 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 54.97 53.73 1gjw s GLU 630 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 1gjw s GLU 630 CO 0.00 0.33 0.38 -0.59 0.02 0.00 0.00 175.26 175.40 1gjw s PHE 631 N -2.24 1.09 -0.22 1.61 -0.71 -1.26 -0.55 117.98 115.69 1gjw s PHE 631 Ca 0.34 -1.28 -0.31 0.00 -1.04 0.00 0.00 56.93 54.64 1gjw s PHE 631 Cb -0.07 -0.24 0.16 0.00 -1.21 0.00 0.00 43.02 41.67 1gjw s PHE 631 CO 0.23 -0.98 1.21 0.00 -1.34 0.00 0.00 175.22 174.35 1gjw s ALA 632 N -3.48 -2.05 -0.24 1.99 0.00 -0.04 -4.74 121.76 113.21 1gjw s ALA 632 Ca 0.33 1.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.95 1gjw s ALA 632 Cb 0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1gjw s ALA 632 CO 0.18 -0.33 0.04 -1.17 0.00 0.00 0.00 175.76 174.48 1gjw s LEU 633 N -1.28 3.33 -0.21 0.00 2.96 0.11 -1.22 118.68 122.37 1gjw s LEU 633 Ca 0.05 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 1gjw s LEU 633 Cb -0.01 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1gjw s LEU 633 CO -0.04 -0.02 0.01 -0.69 -1.32 0.00 0.00 176.35 174.29 1gjw s VAL 634 N 1.49 3.94 -0.31 1.68 1.01 0.96 -0.70 120.40 128.47 1gjw s VAL 634 Ca 0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 1gjw s VAL 634 Cb -0.15 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1gjw s VAL 634 CO 0.02 0.41 0.15 -0.69 0.00 0.00 0.00 175.10 174.99 1gjw s VAL 635 N 1.21 4.59 -1.27 2.92 1.01 0.23 -0.17 120.40 128.92 1gjw s VAL 635 Ca 0.03 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.66 1gjw s VAL 635 Cb -0.15 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1gjw s VAL 635 CO 0.01 0.05 0.82 0.00 0.00 0.00 0.00 175.10 175.98