#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gju h LEU 2 N 0.00 0.15 -1.01 -0.89 3.38 -1.97 0.13 115.31 115.10 1gju h LEU 2 Ca 0.00 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1gju h LEU 2 Cb 0.00 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1gju h LEU 2 CO 0.00 0.08 0.64 0.25 0.09 0.00 0.00 178.44 179.50 1gju h LEU 3 N 0.36 0.94 -0.33 1.67 5.85 -1.93 0.13 115.31 121.99 1gju h LEU 3 Ca 0.33 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.91 1gju h LEU 3 Cb 0.46 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1gju h LEU 3 CO -0.36 0.51 -0.64 -0.09 -0.34 0.00 0.00 178.44 177.52 1gju h ARG 4 N 1.01 0.70 -0.98 1.25 2.43 -1.60 -2.28 114.38 114.92 1gju h ARG 4 Ca 0.49 -0.50 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1gju h ARG 4 Cb 0.47 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 1gju h ARG 4 CO -0.26 1.12 0.64 0.93 -1.51 0.00 0.00 179.97 180.89 1gju h GLU 5 N 0.52 1.25 -0.57 0.20 5.08 0.54 -0.68 114.58 120.92 1gju h GLU 5 Ca -0.01 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1gju h GLU 5 Cb 1.23 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1gju h GLU 5 CO 0.13 0.83 -0.03 0.82 -1.00 0.00 0.00 179.01 179.76 1gju h ILE 6 N 1.29 1.26 -0.03 3.13 2.04 -0.72 -1.23 117.51 123.26 1gju h ILE 6 Ca 0.37 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1gju h ILE 6 Cb -0.09 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1gju h ILE 6 CO -0.10 0.42 -0.01 -1.13 0.00 0.00 0.00 178.15 177.33 1gju h ASN 7 N 0.92 -0.03 -0.04 1.72 -0.73 -0.85 -1.13 115.58 115.44 1gju h ASN 7 Ca 0.16 0.01 0.04 0.00 1.87 0.00 0.00 56.30 58.37 1gju h ASN 7 Cb 0.58 0.02 -0.05 0.00 0.27 0.00 0.00 38.32 39.14 1gju h ASN 7 CO 0.03 -0.01 -0.24 -0.09 -0.37 0.00 0.00 177.43 176.75 1gju h ARG 8 N -0.00 -0.34 -0.68 6.67 2.43 -0.97 -2.33 114.38 119.16 1gju h ARG 8 Ca 0.01 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 1gju h ARG 8 Cb 0.02 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 1gju h ARG 8 CO -0.03 -0.23 0.24 -0.92 -1.51 0.00 0.00 179.97 177.53 1gju h TYR 9 N -0.36 0.42 -0.66 2.20 -0.00 -0.95 -2.13 116.97 115.50 1gju h TYR 9 Ca 0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.81 1gju h TYR 9 Cb 0.46 -0.08 -0.03 0.00 -0.00 0.00 0.00 36.73 37.08 1gju h TYR 9 CO -0.30 0.06 0.31 0.00 -0.00 0.00 0.00 178.16 178.23 1gju h LYS 11 N 0.93 1.03 -0.34 0.00 1.57 -0.99 -0.44 116.57 118.34 1gju h LYS 11 Ca 0.23 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1gju h LYS 11 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1gju h LYS 11 CO -0.03 1.02 0.18 0.93 -0.57 0.00 0.00 179.45 180.98 1gju h GLU 12 N 0.94 0.48 0.00 3.15 5.08 -0.95 -3.09 114.58 120.19 1gju h GLU 12 Ca 0.16 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1gju h GLU 12 Cb 0.57 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1gju h GLU 12 CO 0.03 0.41 -0.25 0.87 -1.00 0.00 0.00 179.01 179.07 1gju h LYS 13 N 0.42 0.00 -6.29 2.33 1.79 -1.17 -3.47 116.57 110.18 1gju h LYS 13 Ca 0.12 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.98 1gju h LYS 13 Cb 0.08 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 30.87 1gju h LYS 13 CO -0.02 0.25 -0.44 0.00 -1.08 0.00 0.00 179.45 178.16 1gju n ALA 14 N -2.22 -1.65 -0.12 3.86 0.00 -0.19 -4.89 120.51 115.31 1gju n ALA 14 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1gju n ALA 14 Cb 0.48 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1gju n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gju n THR 15 N -0.82 0.00 -0.82 0.00 -2.24 -1.26 -5.03 114.28 104.11 1gju n THR 15 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1gju n THR 15 Cb 0.39 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1gju n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gju n GLY 16 N 0.00 0.67 3.52 3.38 0.00 -1.26 -5.01 105.19 106.49 1gju n GLY 16 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1gju n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gju s LYS 17 N -0.18 3.34 -0.90 1.61 2.47 -1.26 -4.91 119.74 119.91 1gju s LYS 17 Ca 0.00 -0.27 -0.18 0.00 -1.56 0.00 0.00 55.97 53.96 1gju s LYS 17 Cb 0.00 -4.02 0.15 0.00 -1.46 0.00 0.00 37.83 32.50 1gju s LYS 17 CO 0.00 -1.34 1.05 1.03 0.16 0.00 0.00 175.35 176.25 1gju s ARG 18 N 3.60 3.58 0.00 4.03 0.52 -1.26 -3.83 118.95 125.59 1gju s ARG 18 Ca 0.29 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 1gju s ARG 18 Cb -0.13 -4.80 0.00 0.00 0.52 0.00 0.00 34.95 30.54 1gju s ARG 18 CO 0.20 -1.68 0.25 0.44 0.02 0.00 0.00 175.30 174.53 1gju n ILE 19 N 5.22 0.06 -3.51 1.52 -5.35 -1.16 -4.56 119.36 111.59 1gju n ILE 19 Ca 0.21 -0.19 -0.41 0.00 -0.27 0.00 0.00 62.75 62.08 1gju n ILE 19 Cb 0.48 1.52 -0.10 0.00 -1.74 0.00 0.00 39.64 39.80 1gju n ILE 19 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1gju s TYR 20 N -0.06 3.23 0.15 4.28 5.04 -0.90 -4.73 117.35 124.36 1gju s TYR 20 Ca 0.00 -0.38 -0.28 0.00 -2.44 0.00 0.00 57.07 53.96 1gju s TYR 20 Cb 0.00 -2.52 -0.07 0.00 0.35 0.00 0.00 41.96 39.72 1gju s TYR 20 CO 0.00 -0.46 0.89 0.00 -1.34 0.00 0.00 175.55 174.64 1gju s ALA 21 N 1.70 3.33 0.03 3.97 0.00 -0.06 -1.58 121.76 129.15 1gju s ALA 21 Ca 0.06 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1gju s ALA 21 Cb -0.18 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1gju s ALA 21 CO 0.10 0.12 0.03 0.14 0.00 0.00 0.00 175.76 176.15 1gju s VAL 22 N -0.59 0.14 0.37 0.00 -7.23 -0.60 -4.30 120.40 108.19 1gju s VAL 22 Ca 0.42 -1.13 -0.25 0.00 -1.81 0.00 0.00 61.98 59.21 1gju s VAL 22 Cb -0.24 -0.75 -0.09 0.00 0.56 0.00 0.00 36.38 35.86 1gju s VAL 22 CO 0.29 -0.62 1.05 -2.16 -0.31 0.00 0.00 175.10 173.35 1gju s PRO 23 N -2.35 4.30 0.40 4.82 0.04 -1.26 -2.97 135.00 137.97 1gju s PRO 23 Ca -0.07 1.55 0.21 0.00 0.04 0.00 0.00 61.00 62.73 1gju s PRO 23 Cb -0.03 -2.69 1.19 0.00 0.04 0.00 0.00 34.50 33.01 1gju s PRO 23 CO -0.04 -0.03 1.70 -0.22 0.04 0.00 0.00 177.00 178.45 1gju h LYS 24 N 2.82 0.28 0.00 4.56 1.63 -1.88 0.59 116.57 124.57 1gju h LYS 24 Ca -0.48 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1gju h LYS 24 Cb 1.21 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1gju h LYS 24 CO 0.63 0.19 0.00 -0.07 -3.45 0.00 0.00 179.45 176.75 1gju h LEU 25 N 0.29 0.00 0.00 5.20 3.38 -1.91 -2.54 115.31 119.72 1gju h LEU 25 Ca 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.64 1gju h LEU 25 Cb 1.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1gju h LEU 25 CO -0.41 0.00 -0.37 -0.50 0.09 0.00 0.00 178.44 177.25 1gju h TRP 26 N 0.00 0.00 -3.26 1.13 4.06 -0.17 -3.44 115.95 114.27 1gju h TRP 26 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 1gju h TRP 26 Cb 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.32 1gju h TRP 26 CO 0.00 0.14 0.98 0.42 -3.56 0.00 0.00 178.44 176.41 1gju s ILE 27 N -3.17 4.13 0.81 1.49 -1.09 -0.96 -4.93 121.20 117.48 1gju s ILE 27 Ca 0.04 1.24 -0.11 0.00 -2.23 0.00 0.00 60.65 59.60 1gju s ILE 27 Cb 0.07 -4.25 0.08 0.00 -1.58 0.00 0.00 42.46 36.78 1gju s ILE 27 CO 0.72 -0.60 1.09 -2.84 -1.23 0.00 0.00 174.94 172.07 1gju s PRO 28 N 4.32 1.97 0.32 2.79 0.02 -1.26 -4.94 135.00 138.23 1gju s PRO 28 Ca 0.55 0.90 0.05 0.00 0.02 0.00 0.00 61.00 62.53 1gju s PRO 28 Cb -0.14 -1.88 0.68 0.00 0.02 0.00 0.00 34.50 33.18 1gju s PRO 28 CO 0.25 -1.77 1.86 0.78 -0.33 0.00 0.00 177.00 177.80 1gju h GLY 29 N -1.21 1.39 2.00 0.52 0.00 -1.98 -2.38 103.07 101.41 1gju h GLY 29 Ca -0.46 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.43 1gju h GLY 29 CO 0.55 0.14 -0.35 0.27 0.00 0.00 0.00 176.54 177.15 1gju h PHE 30 N 0.85 0.00 -3.20 5.60 -5.15 -2.03 -3.44 116.94 109.57 1gju h PHE 30 Ca 0.46 0.00 -0.55 0.00 -0.20 0.00 0.00 57.97 57.68 1gju h PHE 30 Cb 0.57 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.72 1gju h PHE 30 CO -0.00 0.35 0.58 0.12 -2.00 0.00 0.00 178.31 177.35 1gju s PHE 31 N -3.62 3.40 0.00 6.09 5.36 -0.90 -4.91 117.98 123.40 1gju s PHE 31 Ca 0.00 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1gju s PHE 31 Cb 0.11 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 1gju s PHE 31 CO 0.68 -0.85 0.00 1.63 -1.46 0.00 0.00 175.22 175.22 1gju n LYS 32 N 4.64 3.03 -2.38 10.12 4.76 -1.26 -4.80 118.16 132.27 1gju n LYS 32 Ca 0.09 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.12 1gju n LYS 32 Cb 0.48 -0.76 -0.01 0.00 -1.84 0.00 0.00 35.03 32.90 1gju n LYS 32 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1gju n LYS 33 N -1.21 2.95 -3.60 1.97 5.02 -1.26 -4.89 118.16 117.14 1gju n LYS 33 Ca 0.00 -3.07 -0.15 0.00 -2.02 0.00 0.00 58.31 53.07 1gju n LYS 33 Cb 0.00 -3.48 -0.06 0.00 -0.02 0.00 0.00 35.03 31.46 1gju n LYS 33 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1gju s PHE 34 N 4.83 -0.43 -0.02 2.13 -0.12 -1.26 -4.71 117.98 118.40 1gju s PHE 34 Ca 0.55 0.58 -0.00 0.00 -0.05 0.00 0.00 56.93 58.00 1gju s PHE 34 Cb 0.05 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1gju s PHE 34 CO 0.06 -0.59 0.03 -0.51 -0.05 0.00 0.00 175.22 174.16 1gju s ASP 35 N -1.69 5.37 -0.28 1.98 -0.00 -0.79 -4.94 116.67 116.32 1gju s ASP 35 Ca -0.08 0.09 0.02 0.00 -0.00 0.00 0.00 52.55 52.58 1gju s ASP 35 Cb -0.01 -1.48 0.06 0.00 -0.00 0.00 0.00 42.92 41.49 1gju s ASP 35 CO 0.02 0.30 -0.07 -0.70 -0.00 0.00 0.00 175.17 174.72 1gju s GLU 36 N -1.47 2.21 -0.01 8.23 2.12 -1.26 -0.96 118.70 127.56 1gju s GLU 36 Ca 0.19 -1.39 0.04 0.00 0.36 0.00 0.00 54.97 54.17 1gju s GLU 36 Cb -0.12 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1gju s GLU 36 CO 0.10 -0.62 -0.13 0.15 -0.54 0.00 0.00 175.26 174.22 1gju s LYS 37 N 1.11 1.05 -1.68 4.30 1.02 -0.70 -4.88 119.74 119.97 1gju s LYS 37 Ca -0.06 -0.45 -0.15 0.00 0.02 0.00 0.00 55.97 55.33 1gju s LYS 37 Cb -0.20 -1.01 0.14 0.00 -0.52 0.00 0.00 37.83 36.23 1gju s LYS 37 CO -0.04 0.26 0.63 0.43 -0.92 0.00 0.00 175.35 175.71 1gju n SER 38 N 2.82 -2.24 0.00 2.83 7.64 -1.26 -1.85 113.62 121.55 1gju n SER 38 Ca -0.14 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.66 1gju n SER 38 Cb 0.55 -2.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.25 1gju n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gju n GLY 39 N -1.53 2.36 4.01 0.23 0.00 -1.26 -5.00 105.19 104.00 1gju n GLY 39 Ca -0.01 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 1gju n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gju s ARG 40 N 0.00 2.63 0.06 1.61 1.70 -0.77 -4.77 118.95 119.41 1gju s ARG 40 Ca 0.00 -1.40 0.08 0.00 -0.47 0.00 0.00 55.73 53.95 1gju s ARG 40 Cb 0.00 -2.70 -0.03 0.00 -0.57 0.00 0.00 34.95 31.64 1gju s ARG 40 CO 0.00 -0.48 -0.22 0.00 -1.08 0.00 0.00 175.30 173.52 1gju s PHE 42 N -0.93 2.41 0.28 0.00 0.40 -0.13 -1.56 117.98 118.46 1gju s PHE 42 Ca 0.14 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 56.03 1gju s PHE 42 Cb -0.10 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 1gju s PHE 42 CO 0.05 0.08 0.44 0.14 0.70 0.00 0.00 175.22 176.62 1gju s VAL 43 N -0.72 0.00 -0.40 -0.44 -7.23 -0.62 -1.89 120.40 109.09 1gju s VAL 43 Ca 0.11 -1.55 -0.18 0.00 -1.81 0.00 0.00 61.98 58.55 1gju s VAL 43 Cb -0.10 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.43 1gju s VAL 43 CO 0.01 0.00 0.50 -0.62 -0.31 0.00 0.00 175.10 174.68 1gju s ASP 44 N -3.12 6.26 0.54 4.85 3.68 -1.25 -2.13 116.67 125.50 1gju s ASP 44 Ca 0.28 -0.41 0.26 0.00 2.13 0.00 0.00 52.55 54.81 1gju s ASP 44 Cb 0.00 -2.26 1.44 0.00 -1.45 0.00 0.00 42.92 40.66 1gju s ASP 44 CO 0.14 -0.59 2.00 1.55 0.13 0.00 0.00 175.17 178.39 1gju h PRO 45 N 8.69 0.00 -0.32 4.34 0.13 -1.90 -0.39 132.00 142.55 1gju h PRO 45 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.72 1gju h PRO 45 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1gju h PRO 45 CO 0.81 0.00 -0.40 1.88 -0.23 0.00 0.00 178.00 180.06 1gju h TYR 46 N 0.00 0.92 -0.30 1.56 -1.99 -1.92 0.79 116.97 116.03 1gju h TYR 46 Ca 0.22 -0.27 -0.16 0.00 2.00 0.00 0.00 58.73 60.52 1gju h TYR 46 Cb 0.95 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.48 1gju h TYR 46 CO 0.00 1.04 -0.46 0.93 -0.00 0.00 0.00 178.16 179.67 1gju h GLU 47 N 0.63 0.80 -0.16 4.88 5.08 -1.37 0.65 114.58 125.09 1gju h GLU 47 Ca 0.05 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1gju h GLU 47 Cb 0.95 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1gju h GLU 47 CO 0.09 1.09 0.00 1.25 -1.00 0.00 0.00 179.01 180.44 1gju h LEU 48 N 0.64 0.28 -1.07 1.33 5.85 -1.25 -1.01 115.31 120.08 1gju h LEU 48 Ca 0.04 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 1gju h LEU 48 Cb 1.04 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1gju h LEU 48 CO 0.10 0.52 -0.05 1.23 -0.34 0.00 0.00 178.44 179.90 1gju h GLY 49 N 0.03 0.64 0.65 3.75 0.00 -0.82 -1.79 103.07 105.54 1gju h GLY 49 Ca 0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1gju h GLY 49 CO 0.01 0.39 -0.10 0.00 0.00 0.00 0.00 176.54 176.83 1gju h ALA 50 N 1.39 0.13 -0.16 3.60 0.00 -0.71 -1.62 119.26 121.89 1gju h ALA 50 Ca 0.11 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1gju h ALA 50 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1gju h ALA 50 CO 0.02 -0.02 -0.31 0.93 0.00 0.00 0.00 179.25 179.87 1gju h GLU 51 N -0.21 0.31 0.01 0.00 5.08 -1.16 -1.59 114.58 117.02 1gju h GLU 51 Ca 0.01 -0.12 -0.25 0.00 -1.00 0.00 0.00 59.36 58.00 1gju h GLU 51 Cb 0.64 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.89 1gju h GLU 51 CO 0.03 0.59 -0.97 0.82 -1.00 0.00 0.00 179.01 178.48 1gju h ILE 52 N 0.27 1.31 0.00 3.13 2.04 -1.36 -1.96 117.51 120.94 1gju h ILE 52 Ca 0.04 -2.23 -0.07 0.00 1.00 0.00 0.00 64.86 63.59 1gju h ILE 52 Cb 0.69 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1gju h ILE 52 CO 0.05 0.68 -0.35 0.71 0.00 0.00 0.00 178.15 179.25 1gju h THR 53 N 0.28 1.17 -0.32 -0.27 1.35 -1.25 -1.74 112.91 112.13 1gju h THR 53 Ca -0.12 -1.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.50 1gju h THR 53 Cb 1.64 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.72 1gju h THR 53 CO 0.19 0.34 0.12 0.44 -0.25 0.00 0.00 175.52 176.36 1gju h ASP 54 N 0.00 0.45 -0.72 5.36 3.45 -1.23 0.24 116.42 123.96 1gju h ASP 54 Ca -0.00 -0.17 0.02 0.00 0.43 0.00 0.00 57.03 57.30 1gju h ASP 54 Cb 0.64 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.26 1gju h ASP 54 CO 0.05 0.50 0.47 -0.25 -1.57 0.00 0.00 179.24 178.44 1gju h TRP 55 N 0.37 0.87 0.10 4.55 7.01 -0.71 -1.04 115.95 127.10 1gju h TRP 55 Ca 0.11 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.95 1gju h TRP 55 Cb 0.20 -0.29 0.02 0.00 -2.10 0.00 0.00 29.16 26.99 1gju h TRP 55 CO -0.00 0.52 -0.74 0.82 -2.79 0.00 0.00 178.44 176.25 1gju h ILE 56 N 0.91 1.50 -0.62 2.65 2.04 -1.02 -3.35 117.51 119.62 1gju h ILE 56 Ca 0.28 -2.42 -0.02 0.00 1.00 0.00 0.00 64.86 63.69 1gju h ILE 56 Cb -0.02 3.06 -0.03 0.00 -0.74 0.00 0.00 36.82 39.10 1gju h ILE 56 CO -0.07 0.69 0.30 -0.07 0.00 0.00 0.00 178.15 179.00 1gju h LEU 57 N -0.32 0.79 0.00 1.44 3.38 -0.32 -2.28 115.31 118.01 1gju h LEU 57 Ca -0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1gju h LEU 57 Cb 1.55 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1gju h LEU 57 CO 0.14 0.67 0.00 0.59 0.09 0.00 0.00 178.44 179.93 1gju n ASN 58 N -4.35 0.00 -0.72 -0.43 3.02 -0.41 -1.62 115.26 110.74 1gju n ASN 58 Ca 0.06 -0.07 0.09 0.00 -0.03 0.00 0.00 54.58 54.62 1gju n ASN 58 Cb 0.13 -0.17 0.09 0.00 -0.61 0.00 0.00 39.78 39.23 1gju n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gju n GLN 59 N -1.17 1.56 -2.37 3.52 6.02 -0.86 -4.99 117.38 119.10 1gju n GLN 59 Ca 0.07 -1.63 -0.27 0.00 -0.01 0.00 0.00 57.00 55.16 1gju n GLN 59 Cb 0.07 -1.34 0.03 0.00 1.02 0.00 0.00 30.24 30.02 1gju n GLN 59 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1gju s SER 60 N -1.38 5.66 0.00 1.08 1.04 -0.64 -5.00 113.70 114.46 1gju s SER 60 Ca 0.22 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1gju s SER 60 Cb 0.15 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1gju s SER 60 CO 0.22 -1.04 0.00 -2.11 0.98 0.00 0.00 173.24 171.29 1gju n ARG 61 N -2.59 3.91 -3.31 4.02 -4.01 -1.26 -5.07 116.66 108.35 1gju n ARG 61 Ca 0.04 0.00 -0.38 0.00 -1.04 0.00 0.00 57.85 56.47 1gju n ARG 61 Cb 0.57 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.96 1gju n ARG 61 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1gju n GLU 62 N 0.00 3.46 -4.35 2.89 -0.58 -1.26 -4.99 120.64 115.81 1gju n GLU 62 Ca 0.00 -4.54 -0.19 0.00 -0.42 0.00 0.00 57.16 52.00 1gju n GLU 62 Cb 0.00 -2.44 -0.09 0.00 -0.57 0.00 0.00 31.44 28.34 1gju n GLU 62 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1gju s TRP 63 N -2.12 1.63 -0.43 -0.32 0.52 -1.26 -5.12 118.94 111.84 1gju s TRP 63 Ca 0.32 -1.37 -0.15 0.00 0.02 0.00 0.00 56.10 54.91 1gju s TRP 63 Cb 0.01 -0.88 0.04 0.00 -1.15 0.00 0.00 33.47 31.49 1gju s TRP 63 CO -0.01 -0.52 0.33 0.34 0.02 0.00 0.00 176.95 177.12 1gju s ASP 64 N -3.39 6.11 -0.02 2.95 2.15 -1.26 -4.94 116.67 118.27 1gju s ASP 64 Ca 0.35 -1.06 0.05 0.00 0.43 0.00 0.00 52.55 52.32 1gju s ASP 64 Cb 0.05 -2.17 0.18 0.00 -0.30 0.00 0.00 42.92 40.68 1gju s ASP 64 CO 0.18 -0.52 1.04 -1.22 -0.17 0.00 0.00 175.17 174.48 1gju n TYR 65 N 5.17 0.33 -0.37 -5.34 4.02 -1.26 -3.72 117.16 116.00 1gju n TYR 65 Ca -0.12 -0.14 0.09 0.00 -0.01 0.00 0.00 57.90 57.72 1gju n TYR 65 Cb 0.46 -0.06 0.32 0.00 -0.02 0.00 0.00 39.34 40.04 1gju n TYR 65 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1gju n SER 66 N 0.08 4.29 -4.40 7.72 3.41 -1.26 -4.17 113.62 119.28 1gju n SER 66 Ca 0.07 -2.36 -0.20 0.00 -0.26 0.00 0.00 58.87 56.11 1gju n SER 66 Cb 0.26 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 1gju n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gju s GLN 67 N -1.75 1.49 0.45 4.33 -2.07 -1.24 -3.34 119.66 117.52 1gju s GLN 67 Ca 0.46 -1.73 -0.24 0.00 -1.82 0.00 0.00 55.36 52.04 1gju s GLN 67 Cb 0.29 -1.14 -0.10 0.00 -1.09 0.00 0.00 33.01 30.98 1gju s GLN 67 CO 0.23 0.08 1.04 -0.35 -1.32 0.00 0.00 175.29 174.97 1gju n PRO 68 N -0.53 1.38 0.29 9.60 -0.04 -1.19 -4.86 135.00 139.65 1gju n PRO 68 Ca -0.06 0.50 0.15 0.00 -0.04 0.00 0.00 63.50 64.05 1gju n PRO 68 Cb 0.63 -2.12 0.89 0.00 -0.04 0.00 0.00 33.50 32.86 1gju n PRO 68 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1gju h LEU 69 N 1.47 0.00 -1.89 1.53 3.38 -1.93 -1.02 115.31 116.85 1gju h LEU 69 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1gju h LEU 69 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1gju h LEU 69 CO 0.56 0.04 -0.02 0.77 0.09 0.00 0.00 178.44 179.89 1gju h SER 70 N 0.00 0.04 0.30 -0.43 4.64 -1.92 -0.70 113.55 115.48 1gju h SER 70 Ca -0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1gju h SER 70 Cb 0.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1gju h SER 70 CO 0.01 0.07 -0.15 -0.26 -0.87 0.00 0.00 176.83 175.63 1gju h PHE 71 N 0.05 -0.38 -0.05 4.77 0.05 -1.48 0.53 116.94 120.43 1gju h PHE 71 Ca 0.01 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.81 1gju h PHE 71 Cb 0.07 0.12 -0.00 0.00 2.00 0.00 0.00 35.95 38.14 1gju h PHE 71 CO 0.00 -0.03 0.08 -0.07 -0.18 0.00 0.00 178.31 178.11 1gju h LEU 72 N -0.91 0.00 0.00 1.54 3.38 -1.52 -1.01 115.31 116.79 1gju h LEU 72 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gju h LEU 72 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1gju h LEU 72 CO 0.07 0.00 -1.45 0.29 0.09 0.00 0.00 178.44 177.44 1gju n LYS 73 N -3.52 0.37 -2.57 1.13 5.02 -0.30 -5.01 118.16 113.28 1gju n LYS 73 Ca -0.02 -0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.14 1gju n LYS 73 Cb 0.17 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1gju n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gju n GLY 74 N 1.36 0.44 3.89 0.72 0.00 0.12 -5.04 105.19 106.68 1gju n GLY 74 Ca -0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1gju n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gju s GLU 75 N -4.86 3.47 0.00 1.61 2.02 0.14 -4.98 118.70 116.10 1gju s GLU 75 Ca 0.08 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1gju s GLU 75 Cb -0.03 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1gju s GLU 75 CO 0.17 0.73 0.50 1.63 0.02 0.00 0.00 175.26 178.32 1gju n LYS 76 N 1.57 -0.98 -4.18 1.61 4.76 -1.26 -4.48 118.16 115.20 1gju n LYS 76 Ca -0.16 -0.51 -0.12 0.00 -2.87 0.00 0.00 58.31 54.66 1gju n LYS 76 Cb 0.54 -1.00 -0.10 0.00 -1.84 0.00 0.00 35.03 32.63 1gju n LYS 76 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1gju s THR 77 N -0.01 0.80 -0.25 -0.18 -4.23 -1.26 -4.19 115.64 106.32 1gju s THR 77 Ca 0.00 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1gju s THR 77 Cb 0.00 -1.64 0.16 0.00 1.34 0.00 0.00 72.50 72.36 1gju s THR 77 CO 0.00 -0.80 1.12 -0.81 -0.54 0.00 0.00 174.62 173.59 1gju n PRO 78 N 0.05 1.40 0.30 3.99 -0.04 -1.26 -4.39 135.00 135.05 1gju n PRO 78 Ca -0.13 -0.68 0.18 0.00 -0.04 0.00 0.00 63.50 62.83 1gju n PRO 78 Cb 0.60 -1.35 0.91 0.00 -0.04 0.00 0.00 33.50 33.62 1gju n PRO 78 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1gju h ASP 79 N 0.36 0.00 -0.67 3.54 3.58 -1.97 -3.09 116.42 118.17 1gju h ASP 79 Ca 0.11 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.59 1gju h ASP 79 Cb 1.30 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.32 1gju h ASP 79 CO 0.22 0.04 0.44 4.11 -2.88 0.00 0.00 179.24 181.18 1gju h TRP 80 N 0.00 0.80 -0.58 0.28 5.08 -1.93 -2.71 115.95 116.89 1gju h TRP 80 Ca -0.00 0.02 0.09 0.00 1.08 0.00 0.00 58.89 60.08 1gju h TRP 80 Cb 0.24 -0.27 -0.03 0.00 -3.00 0.00 0.00 29.16 26.10 1gju h TRP 80 CO 0.00 0.48 0.39 0.97 -1.28 0.00 0.00 178.44 179.00 1gju h ILE 81 N 0.84 0.91 0.00 0.12 6.09 -1.93 -1.35 117.51 122.19 1gju h ILE 81 Ca 0.26 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.61 1gju h ILE 81 Cb 0.01 0.47 0.00 0.00 0.47 0.00 0.00 36.82 37.77 1gju h ILE 81 CO -0.07 0.07 0.00 0.11 -3.07 0.00 0.00 178.15 175.20 1gju h LYS 82 N 0.40 0.00 -0.28 2.19 1.57 -1.71 -2.34 116.57 116.41 1gju h LYS 82 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1gju h LYS 82 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1gju h LYS 82 CO -0.07 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.35 1gju n ARG 83 N -2.50 2.25 -3.22 3.15 1.74 -0.51 -4.91 116.66 112.66 1gju n ARG 83 Ca -0.00 -1.85 -0.23 0.00 -0.77 0.00 0.00 57.85 54.99 1gju n ARG 83 Cb 0.14 -1.28 -0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1gju n ARG 83 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1gju s SER 84 N -1.00 6.12 -0.22 0.55 0.01 -0.88 -5.07 113.70 113.20 1gju s SER 84 Ca 0.22 0.38 -0.00 0.00 1.31 0.00 0.00 55.95 57.86 1gju s SER 84 Cb 0.12 -1.83 0.06 0.00 0.21 0.00 0.00 66.02 64.58 1gju s SER 84 CO 0.17 -0.45 -0.04 -0.69 0.41 0.00 0.00 173.24 172.64 1gju s VAL 85 N -2.41 1.26 -0.05 3.43 1.01 -1.26 -4.14 120.40 118.25 1gju s VAL 85 Ca 0.43 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1gju s VAL 85 Cb -0.10 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1gju s VAL 85 CO 0.37 -0.09 0.60 -0.69 0.00 0.00 0.00 175.10 175.29 1gju s VAL 86 N 1.53 5.01 -0.28 2.92 1.01 -0.45 -1.16 120.40 128.98 1gju s VAL 86 Ca -0.04 1.25 -0.06 0.00 0.00 0.00 0.00 61.98 63.13 1gju s VAL 86 Cb -0.18 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1gju s VAL 86 CO -0.07 0.35 0.06 -0.47 0.00 0.00 0.00 175.10 174.97 1gju s TYR 87 N 0.29 3.12 -0.11 5.22 5.04 -0.45 -0.72 117.35 129.75 1gju s TYR 87 Ca 0.32 -0.98 -0.19 0.00 -2.44 0.00 0.00 57.07 53.78 1gju s TYR 87 Cb -0.17 -2.22 -0.04 0.00 0.35 0.00 0.00 41.96 39.87 1gju s TYR 87 CO 0.16 -0.57 0.51 0.20 -1.34 0.00 0.00 175.55 174.51 1gju s GLY 88 N 1.49 2.43 0.02 8.97 0.00 0.06 -1.36 107.32 118.94 1gju s GLY 88 Ca 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.53 1gju s GLY 88 CO 0.01 0.82 0.15 -0.45 0.00 0.00 0.00 173.10 173.63 1gju s SER 89 N 0.60 0.05 -0.55 1.64 0.15 0.42 -0.94 113.70 115.08 1gju s SER 89 Ca 0.28 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.61 1gju s SER 89 Cb -0.16 0.24 0.14 0.00 -1.71 0.00 0.00 66.02 64.53 1gju s SER 89 CO 0.12 -0.46 0.33 -0.22 1.20 0.00 0.00 173.24 174.20 1gju s LEU 90 N -1.74 4.90 0.30 3.45 2.96 -1.26 -1.75 118.68 125.54 1gju s LEU 90 Ca -0.10 -2.77 0.07 0.00 -0.22 0.00 0.00 54.13 51.11 1gju s LEU 90 Cb -0.04 -1.76 0.85 0.00 0.50 0.00 0.00 46.19 45.73 1gju s LEU 90 CO -0.01 -0.34 1.44 -2.65 -1.32 0.00 0.00 176.35 173.47 1gju n PRO 91 N 3.54 -0.07 -0.29 0.98 -0.02 -1.26 0.27 135.00 138.15 1gju n PRO 91 Ca 0.06 1.34 0.12 0.00 -2.02 0.00 0.00 63.50 62.99 1gju n PRO 91 Cb 0.37 -2.21 0.36 0.00 -0.02 0.00 0.00 33.50 32.00 1gju n PRO 91 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1gju h ARG 92 N 0.00 0.71 0.01 -0.52 2.43 -1.95 -2.75 114.38 112.32 1gju h ARG 92 Ca 0.62 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 59.48 1gju h ARG 92 Cb 1.40 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 1gju h ARG 92 CO -0.82 0.47 -1.47 2.41 -1.51 0.00 0.00 179.97 179.05 1gju n THR 93 N -4.58 1.56 -0.32 0.20 -1.04 0.14 -2.35 114.28 107.89 1gju n THR 93 Ca 0.18 -0.13 0.12 0.00 -2.04 0.00 0.00 64.05 62.19 1gju n THR 93 Cb 0.47 -1.99 0.30 0.00 -1.82 0.00 0.00 70.33 67.29 1gju n THR 93 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1gju h THR 94 N -0.89 0.60 -0.57 12.58 2.02 -1.30 -2.59 112.91 122.75 1gju h THR 94 Ca -0.39 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1gju h THR 94 Cb 1.41 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1gju h THR 94 CO -0.20 0.10 0.00 0.00 0.37 0.00 0.00 175.52 175.79 1gju n ALA 95 N -2.42 3.07 -1.92 6.16 0.00 -1.04 -4.92 120.51 119.45 1gju n ALA 95 Ca 0.22 -1.68 -0.36 0.00 0.00 0.00 0.00 53.44 51.62 1gju n ALA 95 Cb 0.59 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 1gju n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gju s ALA 96 N -1.97 3.26 -0.29 0.00 0.00 -0.98 -4.11 121.76 117.67 1gju s ALA 96 Ca 0.48 0.35 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 1gju s ALA 96 Cb 0.32 -3.03 0.17 0.00 0.00 0.00 0.00 23.12 20.58 1gju s ALA 96 CO 0.21 0.23 1.29 -0.47 0.00 0.00 0.00 175.76 177.02 1gju s TYR 97 N -1.70 -0.20 -0.88 0.00 5.04 -0.58 -4.70 117.35 114.34 1gju s TYR 97 Ca 0.50 0.48 -0.25 0.00 -2.44 0.00 0.00 57.07 55.37 1gju s TYR 97 Cb -0.16 0.42 -0.01 0.00 0.35 0.00 0.00 41.96 42.55 1gju s TYR 97 CO 0.21 -0.10 1.77 1.21 -1.34 0.00 0.00 175.55 177.30 1gju s ASN 98 N 0.20 5.57 0.00 4.32 3.84 -1.26 -4.55 114.94 123.05 1gju s ASN 98 Ca 0.05 -0.71 0.11 0.00 0.21 0.00 0.00 52.86 52.52 1gju s ASN 98 Cb -0.05 -2.56 0.51 0.00 -0.55 0.00 0.00 41.25 38.61 1gju s ASN 98 CO -0.12 -2.32 1.35 1.41 -2.79 0.00 0.00 177.10 174.62 1gju n HIS 99 N 12.23 0.00 0.14 0.43 8.25 -1.26 -2.32 115.22 132.69 1gju n HIS 99 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1gju n HIS 99 Cb 0.49 -0.45 0.29 0.00 1.12 0.00 0.00 29.99 31.44 1gju n HIS 99 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1gju h LYS 100 N 0.00 0.12 0.00 -0.41 1.57 -1.88 -0.12 116.57 115.85 1gju h LYS 100 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1gju h LYS 100 Cb 0.18 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1gju h LYS 100 CO 0.00 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 179.78 1gju n GLY 101 N -0.35 0.57 3.55 3.86 0.00 -0.98 -4.81 105.19 107.04 1gju n GLY 101 Ca -0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1gju n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gju s SER 102 N -2.18 -0.37 0.66 1.61 1.04 -1.26 -5.07 113.70 108.13 1gju s SER 102 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1gju s SER 102 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1gju s SER 102 CO 0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1gju n GLY 103 N -0.33 0.54 3.92 7.32 0.00 -1.26 -4.86 105.19 110.53 1gju n GLY 103 Ca -0.10 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1gju n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gju s TYR 104 N 0.00 3.48 0.59 1.61 1.51 -1.26 -5.09 117.35 118.20 1gju s TYR 104 Ca 0.00 0.17 -0.20 0.00 -1.01 0.00 0.00 57.07 56.03 1gju s TYR 104 Cb 0.00 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1gju s TYR 104 CO 0.00 0.55 1.34 -0.47 -1.11 0.00 0.00 175.55 175.86 1gju s TYR 105 N -1.63 2.17 -0.08 2.71 5.04 -1.26 -5.04 117.35 119.26 1gju s TYR 105 Ca 0.34 1.41 -0.05 0.00 -2.44 0.00 0.00 57.07 56.33 1gju s TYR 105 Cb -0.12 -3.77 0.03 0.00 0.35 0.00 0.00 41.96 38.45 1gju s TYR 105 CO 0.28 -2.97 0.20 -1.21 -1.34 0.00 0.00 175.55 170.50 1gju s GLU 106 N -3.11 0.19 0.27 4.97 2.02 -1.26 -5.05 118.70 116.72 1gju s GLU 106 Ca 0.77 0.37 -0.01 0.00 0.02 0.00 0.00 54.97 56.11 1gju s GLU 106 Cb -0.40 -0.03 0.59 0.00 0.10 0.00 0.00 34.13 34.40 1gju s GLU 106 CO 0.45 -0.10 1.66 1.49 0.02 0.00 0.00 175.26 178.78 1gju h GLU 107 N 6.58 0.23 -3.30 1.61 4.57 -1.96 -3.32 114.58 119.00 1gju h GLU 107 Ca -0.34 -0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 57.58 1gju h GLU 107 Cb 1.17 -0.05 -0.32 0.00 -0.16 0.00 0.00 28.75 29.39 1gju h GLU 107 CO 0.39 0.15 -0.61 -0.80 -1.18 0.00 0.00 179.01 176.96 1gju s ASN 108 N -5.16 -0.09 0.55 1.04 0.01 -1.26 -2.03 114.94 107.99 1gju s ASN 108 Ca -0.12 0.26 0.08 0.00 -0.71 0.00 0.00 52.86 52.36 1gju s ASN 108 Cb 0.24 0.16 0.06 0.00 0.41 0.00 0.00 41.25 42.11 1gju s ASN 108 CO 0.77 -0.14 0.58 1.51 -1.51 0.00 0.00 177.10 178.31 1gju s ASP 109 N 1.10 4.89 0.00 -1.22 1.47 -0.41 -4.98 116.67 117.53 1gju s ASP 109 Ca -0.09 -1.02 0.19 0.00 1.18 0.00 0.00 52.55 52.82 1gju s ASP 109 Cb -0.11 0.28 0.87 0.00 -0.34 0.00 0.00 42.92 43.61 1gju s ASP 109 CO -0.05 -1.18 1.59 0.55 0.68 0.00 0.00 175.17 176.76 1gju n VAL 110 N -1.97 0.59 1.20 2.11 3.14 -1.26 -2.03 118.33 120.11 1gju n VAL 110 Ca 0.07 0.15 0.13 0.00 -2.96 0.00 0.00 64.34 61.72 1gju n VAL 110 Cb 0.63 -0.83 0.27 0.00 -1.06 0.00 0.00 33.84 32.85 1gju n VAL 110 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1gju n LEU 111 N -1.41 1.57 0.00 6.55 4.77 -1.26 -4.93 117.00 122.30 1gju n LEU 111 Ca 0.06 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1gju n LEU 111 Cb 0.19 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1gju n LEU 111 CO 0.16 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1gju n GLY 112 N 1.33 0.69 3.81 -0.72 0.00 -0.86 -5.07 105.19 104.37 1gju n GLY 112 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1gju n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gju s PHE 113 N -2.38 3.78 -0.46 1.61 2.99 -1.26 -4.75 117.98 117.51 1gju s PHE 113 Ca 0.00 1.21 -0.23 0.00 0.00 0.00 0.00 56.93 57.92 1gju s PHE 113 Cb 0.00 -2.48 0.03 0.00 0.00 0.00 0.00 43.02 40.57 1gju s PHE 113 CO 0.00 0.56 0.77 0.50 -0.00 0.00 0.00 175.22 177.05 1gju s ARG 114 N -0.97 3.37 0.31 0.44 3.52 -1.26 -1.28 118.95 123.07 1gju s ARG 114 Ca 0.28 -0.19 0.16 0.00 -0.13 0.00 0.00 55.73 55.86 1gju s ARG 114 Cb -0.19 -3.95 0.27 0.00 -1.56 0.00 0.00 34.95 29.52 1gju s ARG 114 CO 0.18 -1.13 1.54 0.93 -0.81 0.00 0.00 175.30 176.01 1gju h GLU 115 N 8.99 0.00 -7.28 5.12 5.08 -1.51 -3.45 114.58 121.53 1gju h GLU 115 Ca -0.25 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.63 1gju h GLU 115 Cb 1.09 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.50 1gju h GLU 115 CO 0.96 0.46 0.20 0.00 -1.00 0.00 0.00 179.01 179.64 1gju s ALA 116 N -3.16 1.20 0.44 3.43 0.00 -1.23 -1.52 121.76 120.92 1gju s ALA 116 Ca 0.03 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 1gju s ALA 116 Cb 0.09 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 1gju s ALA 116 CO 0.72 -2.68 1.22 0.20 0.00 0.00 0.00 175.76 175.22 1gju s GLY 117 N -3.09 2.85 0.13 0.00 0.00 -0.99 -4.69 107.32 101.53 1gju s GLY 117 Ca 0.65 1.06 0.01 0.00 0.00 0.00 0.00 44.72 46.44 1gju s GLY 117 CO 0.59 1.57 -0.02 -0.51 0.00 0.00 0.00 173.10 174.73 1gju s THR 118 N -1.41 0.55 0.42 0.90 -4.23 -1.26 -4.62 115.64 106.00 1gju s THR 118 Ca 0.61 -1.94 0.13 0.00 -1.18 0.00 0.00 61.69 59.30 1gju s THR 118 Cb -0.33 -1.90 0.17 0.00 1.34 0.00 0.00 72.50 71.78 1gju s THR 118 CO 0.41 -0.66 1.96 -0.26 -0.54 0.00 0.00 174.62 175.53 1gju h PHE 119 N 2.86 0.09 -0.40 3.99 0.04 -1.80 -0.84 116.94 120.88 1gju h PHE 119 Ca -0.36 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.38 1gju h PHE 119 Cb 1.18 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 1gju h PHE 119 CO 0.54 0.25 0.16 0.35 -0.60 0.00 0.00 178.31 179.02 1gju h PHE 120 N 0.08 0.60 -0.06 -0.55 -0.00 -1.88 -2.31 116.94 112.81 1gju h PHE 120 Ca 0.02 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.97 57.80 1gju h PHE 120 Cb 0.35 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 36.11 1gju h PHE 120 CO 0.00 0.53 -0.60 0.87 -0.00 0.00 0.00 178.31 179.10 1gju h LYS 121 N 0.50 0.21 0.00 1.11 1.57 -1.83 -2.09 116.57 116.04 1gju h LYS 121 Ca 0.13 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1gju h LYS 121 Cb 0.18 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1gju h LYS 121 CO -0.01 0.75 0.00 0.52 -0.57 0.00 0.00 179.45 180.14 1gju h MET 122 N 0.16 0.00 0.13 3.15 2.86 -0.92 -1.54 114.93 118.77 1gju h MET 122 Ca -0.01 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.33 1gju h MET 122 Cb 1.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1gju h MET 122 CO 0.09 0.00 -1.54 1.98 1.06 0.00 0.00 176.91 178.50 1gju h MET 123 N 0.00 0.27 0.00 1.72 1.85 -0.86 -3.27 114.93 114.64 1gju h MET 123 Ca 0.00 -0.46 -0.00 0.00 -0.61 0.00 0.00 59.70 58.62 1gju h MET 123 Cb 0.20 0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.41 1gju h MET 123 CO 0.00 1.22 -0.01 -0.07 -0.40 0.00 0.00 176.91 177.66 1gju h LEU 124 N -0.20 0.00 -0.11 3.39 3.38 -0.67 -2.03 115.31 119.07 1gju h LEU 124 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1gju h LEU 124 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1gju h LEU 124 CO 0.08 0.01 -0.30 0.18 0.09 0.00 0.00 178.44 178.50 1gju n LEU 125 N -3.78 0.47 -0.27 1.67 4.77 -0.69 -4.17 117.00 115.00 1gju n LEU 125 Ca -0.03 0.06 0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1gju n LEU 125 Cb 0.09 -0.27 0.43 0.00 -2.33 0.00 0.00 43.42 41.34 1gju n LEU 125 CO 0.27 0.10 1.22 -0.07 -1.33 0.00 0.00 177.39 177.58 1gju h LEU 126 N 0.27 0.56 -1.17 2.23 3.38 -1.42 0.97 115.31 120.14 1gju h LEU 126 Ca 0.00 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1gju h LEU 126 Cb 0.48 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1gju h LEU 126 CO 0.00 0.25 -0.06 -0.65 0.09 0.00 0.00 178.44 178.07 1gju h PRO 127 N 0.58 0.50 0.30 1.13 0.11 -1.80 -1.49 132.00 131.34 1gju h PRO 127 Ca 0.47 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1gju h PRO 127 Cb 0.93 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1gju h PRO 127 CO -0.22 0.58 -0.15 0.35 -0.21 0.00 0.00 178.00 178.36 1gju h PHE 128 N 0.47 -0.38 -0.86 0.65 3.57 -1.12 -1.98 116.94 117.29 1gju h PHE 128 Ca 0.10 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.72 1gju h PHE 128 Cb 0.41 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.19 1gju h PHE 128 CO 0.01 -0.07 0.47 0.28 -2.23 0.00 0.00 178.31 176.77 1gju h VAL 129 N -0.70 0.79 -0.52 1.41 2.07 -1.21 -0.13 116.25 117.96 1gju h VAL 129 Ca -0.04 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1gju h VAL 129 Cb 0.48 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1gju h VAL 129 CO 0.07 0.13 0.13 0.50 0.02 0.00 0.00 177.57 178.42 1gju h LYS 130 N 0.70 0.79 0.00 1.57 1.63 -1.24 -2.04 116.57 117.97 1gju h LYS 130 Ca 0.45 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 1gju h LYS 130 Cb 0.58 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1gju h LYS 130 CO -0.33 0.71 0.00 -1.13 -3.45 0.00 0.00 179.45 175.25 1gju n SER 131 N -4.29 0.50 0.05 4.20 3.41 -0.08 -1.80 113.62 115.60 1gju n SER 131 Ca 0.04 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1gju n SER 131 Cb 0.22 -0.73 0.36 0.00 -0.26 0.00 0.00 64.21 63.79 1gju n SER 131 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1gju n LEU 132 N -2.06 0.52 0.00 1.04 4.77 -0.77 -4.87 117.00 115.63 1gju n LEU 132 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1gju n LEU 132 Cb 0.20 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1gju n LEU 132 CO 0.17 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1gju n GLY 133 N 1.40 0.71 3.77 -0.72 0.00 -0.75 -4.65 105.19 104.95 1gju n GLY 133 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1gju n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gju s ALA 134 N -2.39 3.28 -0.09 4.61 0.00 -1.22 -4.77 121.76 121.18 1gju s ALA 134 Ca 0.00 0.71 0.13 0.00 0.00 0.00 0.00 51.96 52.80 1gju s ALA 134 Cb 0.00 -3.26 0.20 0.00 0.00 0.00 0.00 23.12 20.07 1gju s ALA 134 CO 0.00 -0.01 1.10 -0.40 0.00 0.00 0.00 175.76 176.45 1gju n ASP 135 N 0.84 1.58 -3.65 0.00 3.85 -0.31 -4.58 116.55 114.28 1gju n ASP 135 Ca 0.01 -2.75 -0.11 0.00 -0.71 0.00 0.00 54.79 51.22 1gju n ASP 135 Cb 0.48 -0.36 -0.07 0.00 -1.35 0.00 0.00 41.12 39.81 1gju n ASP 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1gju s ALA 136 N -1.94 -1.71 -0.14 2.12 0.00 -1.18 -1.74 121.76 117.16 1gju s ALA 136 Ca 0.22 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.27 1gju s ALA 136 Cb 0.20 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1gju s ALA 136 CO 0.02 -0.34 -0.15 0.42 0.00 0.00 0.00 175.76 175.71 1gju s ILE 137 N 0.93 2.74 -0.16 0.00 1.01 -0.03 -1.34 121.20 124.35 1gju s ILE 137 Ca -0.05 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 1gju s ILE 137 Cb -0.05 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1gju s ILE 137 CO -0.08 0.52 0.04 -0.47 0.00 0.00 0.00 174.94 174.95 1gju s TYR 138 N 0.66 3.23 0.05 3.97 5.04 -0.46 -1.79 117.35 128.05 1gju s TYR 138 Ca -0.08 0.08 0.09 0.00 -2.44 0.00 0.00 57.07 54.72 1gju s TYR 138 Cb -0.16 -2.00 -0.03 0.00 0.35 0.00 0.00 41.96 40.13 1gju s TYR 138 CO 0.02 0.23 -0.25 -0.51 -1.34 0.00 0.00 175.55 173.71 1gju s LEU 139 N 0.03 2.28 0.83 6.97 1.43 -0.48 -0.44 118.68 129.29 1gju s LEU 139 Ca 0.05 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1gju s LEU 139 Cb -0.12 -1.33 0.09 0.00 0.03 0.00 0.00 46.19 44.85 1gju s LEU 139 CO 0.01 0.25 1.14 -0.76 0.23 0.00 0.00 176.35 177.22 1gju s LEU 140 N -1.38 2.41 -0.09 1.79 1.43 -0.72 -3.33 118.68 118.79 1gju s LEU 140 Ca 0.13 0.96 -0.40 0.00 -1.03 0.00 0.00 54.13 53.78 1gju s LEU 140 Cb -0.10 -3.45 -0.19 0.00 0.03 0.00 0.00 46.19 42.48 1gju s LEU 140 CO 0.03 -2.05 1.29 -2.65 0.23 0.00 0.00 176.35 173.20 1gju n PRO 141 N -3.44 0.39 -0.03 1.29 -0.02 -1.26 -4.66 135.00 127.27 1gju n PRO 141 Ca 0.07 0.14 0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1gju n PRO 141 Cb 0.59 -1.69 0.04 0.00 -0.02 0.00 0.00 33.50 32.42 1gju n PRO 141 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1gju n VAL 142 N 2.45 1.25 -1.01 -1.45 0.24 -1.26 -4.79 118.33 113.75 1gju n VAL 142 Ca 0.22 -1.34 -0.29 0.00 -2.04 0.00 0.00 64.34 60.89 1gju n VAL 142 Cb 0.09 0.30 0.22 0.00 -1.47 0.00 0.00 33.84 32.97 1gju n VAL 142 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1gju s SER 143 N -1.50 1.60 0.26 -1.34 1.04 -1.26 -2.19 113.70 110.31 1gju s SER 143 Ca 0.09 1.02 -0.30 0.00 0.48 0.00 0.00 55.95 57.24 1gju s SER 143 Cb 0.08 -1.56 -0.11 0.00 0.10 0.00 0.00 66.02 64.52 1gju s SER 143 CO 0.01 -3.75 1.58 -0.60 0.98 0.00 0.00 173.24 171.46 1gju s ARG 144 N -5.04 4.16 -0.08 4.02 3.52 -0.30 -3.92 118.95 121.33 1gju s ARG 144 Ca 0.68 2.51 -0.00 0.00 -0.13 0.00 0.00 55.73 58.78 1gju s ARG 144 Cb -0.17 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1gju s ARG 144 CO 0.58 -0.60 -0.05 -1.64 -0.81 0.00 0.00 175.30 172.78 1gju s MET 145 N -0.15 2.84 0.45 5.12 -1.94 -1.26 -0.56 119.30 123.80 1gju s MET 145 Ca 0.64 -0.51 -0.23 0.00 -1.71 0.00 0.00 55.69 53.89 1gju s MET 145 Cb -0.46 -2.66 -0.08 0.00 2.01 0.00 0.00 34.83 33.64 1gju s MET 145 CO 0.44 0.66 1.12 0.45 -0.01 0.00 0.00 175.02 177.68 1gju s SER 146 N -0.80 6.35 -0.16 3.03 0.15 -0.81 -4.77 113.70 116.69 1gju s SER 146 Ca 0.12 2.18 0.16 0.00 0.70 0.00 0.00 55.95 59.11 1gju s SER 146 Cb -0.11 -2.59 0.58 0.00 -1.71 0.00 0.00 66.02 62.18 1gju s SER 146 CO 0.02 -0.78 1.48 0.47 1.20 0.00 0.00 173.24 175.63 1gju n ASP 147 N -0.43 4.20 -4.81 5.45 9.92 -1.26 -4.75 116.55 124.88 1gju n ASP 147 Ca 0.07 -2.84 -0.32 0.00 -0.53 0.00 0.00 54.79 51.17 1gju n ASP 147 Cb 0.49 -0.54 -0.06 0.00 -0.64 0.00 0.00 41.12 40.37 1gju n ASP 147 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1gju s LEU 148 N -2.53 3.97 -1.31 0.64 1.43 -1.26 -4.60 118.68 115.02 1gju s LEU 148 Ca 0.43 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.63 1gju s LEU 148 Cb 0.33 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 44.13 1gju s LEU 148 CO 0.12 0.24 0.97 0.49 0.23 0.00 0.00 176.35 178.40 1gju n PHE 149 N 0.89 -2.31 -2.66 0.29 3.72 -1.26 -4.75 117.46 111.38 1gju n PHE 149 Ca -0.11 0.93 -0.30 0.00 -0.05 0.00 0.00 57.45 57.92 1gju n PHE 149 Cb 0.52 -4.76 -0.02 0.00 -0.94 0.00 0.00 39.48 34.27 1gju n PHE 149 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1gju s LYS 150 N -5.91 3.75 -0.09 -1.08 1.02 -1.26 -4.19 119.74 111.99 1gju s LYS 150 Ca 0.23 0.53 -0.00 0.00 0.02 0.00 0.00 55.97 56.74 1gju s LYS 150 Cb -0.11 -2.32 -0.25 0.00 -0.52 0.00 0.00 37.83 34.63 1gju s LYS 150 CO 0.76 -0.15 0.49 0.87 -0.92 0.00 0.00 175.35 176.41 1gju h LYS 151 N 0.89 0.18 0.00 1.68 1.57 -1.87 -3.49 116.57 115.53 1gju h LYS 151 Ca -0.47 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 1gju h LYS 151 Cb 1.19 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1gju h LYS 151 CO 0.63 0.97 0.00 0.41 -0.57 0.00 0.00 179.45 180.89 1gju n GLY 152 N 1.83 6.02 0.00 3.86 0.00 -1.18 -5.03 105.19 110.69 1gju n GLY 152 Ca -0.26 -1.60 0.15 0.00 0.00 0.00 0.00 46.02 44.30 1gju n GLY 152 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gju n ASP 153 N 0.00 0.00 -4.10 1.61 5.68 -0.94 -4.79 116.55 114.01 1gju n ASP 153 Ca 0.00 -0.97 -0.22 0.00 -0.50 0.00 0.00 54.79 53.09 1gju n ASP 153 Cb 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.83 1gju n ASP 153 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gju s ALA 154 N -2.00 1.17 0.62 2.12 0.00 -0.63 -4.91 121.76 118.13 1gju s ALA 154 Ca 0.44 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 1gju s ALA 154 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1gju s ALA 154 CO 0.34 0.28 1.06 -1.25 0.00 0.00 0.00 175.76 176.19 1gju s PRO 155 N -0.29 3.21 -0.01 0.00 0.04 -1.26 -4.28 135.00 132.41 1gju s PRO 155 Ca 0.05 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1gju s PRO 155 Cb -0.06 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1gju s PRO 155 CO -0.00 -0.89 0.99 0.45 0.04 0.00 0.00 177.00 177.58 1gju s SER 156 N -3.04 7.35 0.26 6.66 0.15 -1.25 -4.70 113.70 119.13 1gju s SER 156 Ca 0.62 1.65 0.13 0.00 0.70 0.00 0.00 55.95 59.06 1gju s SER 156 Cb -0.15 -2.57 0.73 0.00 -1.71 0.00 0.00 66.02 62.32 1gju s SER 156 CO 0.42 -0.28 1.34 -0.81 1.20 0.00 0.00 173.24 175.10 1gju n PRO 157 N 4.01 0.09 0.00 5.44 -0.04 -1.26 -1.73 135.00 141.52 1gju n PRO 157 Ca 0.06 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 1gju n PRO 157 Cb 0.51 -1.96 0.52 0.00 -0.04 0.00 0.00 33.50 32.53 1gju n PRO 157 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1gju n TYR 158 N -1.99 0.00 -3.36 0.54 4.01 -1.26 -4.50 117.16 110.60 1gju n TYR 158 Ca -0.01 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.27 1gju n TYR 158 Cb 0.18 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 1gju n TYR 158 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1gju s SER 159 N -2.57 6.54 -0.42 7.72 1.04 -0.70 -4.88 113.70 120.43 1gju s SER 159 Ca 0.25 -2.54 -0.29 0.00 0.48 0.00 0.00 55.95 53.85 1gju s SER 159 Cb 0.19 -2.18 0.01 0.00 0.10 0.00 0.00 66.02 64.15 1gju s SER 159 CO 0.51 -0.61 1.35 -0.69 0.98 0.00 0.00 173.24 174.78 1gju s VAL 160 N 0.40 3.98 -0.00 5.02 1.01 -1.26 -1.92 120.40 127.63 1gju s VAL 160 Ca 0.15 1.00 0.11 0.00 0.00 0.00 0.00 61.98 63.24 1gju s VAL 160 Cb -0.14 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 1gju s VAL 160 CO -0.06 -0.81 1.18 0.50 0.00 0.00 0.00 175.10 175.91 1gju h LYS 161 N 10.33 0.00 -1.79 2.72 3.64 -1.13 0.07 116.57 130.41 1gju h LYS 161 Ca -0.26 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.95 1gju h LYS 161 Cb 1.09 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.62 1gju h LYS 161 CO 1.09 0.72 -0.51 1.21 -2.27 0.00 0.00 179.45 179.70 1gju s ASN 162 N -6.45 0.31 0.53 4.20 3.84 -1.20 -0.91 114.94 115.25 1gju s ASN 162 Ca 0.00 -0.07 0.25 0.00 0.21 0.00 0.00 52.86 53.26 1gju s ASN 162 Cb 0.09 1.12 1.48 0.00 -0.55 0.00 0.00 41.25 43.39 1gju s ASN 162 CO 0.80 -0.33 2.12 -0.65 -2.79 0.00 0.00 177.10 176.26 1gju h PRO 163 N 8.17 0.00 -0.00 0.43 0.11 -1.88 -2.92 132.00 135.91 1gju h PRO 163 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1gju h PRO 163 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1gju h PRO 163 CO 0.27 0.08 -0.28 -1.33 -0.21 0.00 0.00 178.00 176.54 1gju n MET 164 N -3.89 0.18 -4.39 1.05 2.81 -1.26 -4.90 117.12 106.72 1gju n MET 164 Ca -0.02 -0.08 -0.27 0.00 -1.81 0.00 0.00 57.70 55.52 1gju n MET 164 Cb 0.18 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.08 1gju n MET 164 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1gju s GLU 165 N -2.88 1.65 0.31 0.03 0.41 -1.11 -5.07 118.70 112.04 1gju s GLU 165 Ca 0.16 -1.44 -0.06 0.00 -0.41 0.00 0.00 54.97 53.22 1gju s GLU 165 Cb 0.18 -1.93 -0.05 0.00 -1.78 0.00 0.00 34.13 30.55 1gju s GLU 165 CO 0.60 0.41 0.59 -0.51 -0.49 0.00 0.00 175.26 175.87 1gju s LEU 166 N -2.65 4.02 -0.08 1.80 1.43 -1.26 -1.14 118.68 120.79 1gju s LEU 166 Ca 0.21 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 1gju s LEU 166 Cb -0.08 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1gju s LEU 166 CO 0.11 -0.23 1.16 -0.62 0.23 0.00 0.00 176.35 177.00 1gju s ASP 167 N -3.15 7.08 0.65 2.29 -1.08 -0.93 -4.38 116.67 117.16 1gju s ASP 167 Ca 0.45 1.73 0.28 0.00 -0.52 0.00 0.00 52.55 54.49 1gju s ASP 167 Cb -0.11 -2.56 1.49 0.00 -1.46 0.00 0.00 42.92 40.29 1gju s ASP 167 CO 0.30 -0.58 1.85 -0.08 0.52 0.00 0.00 175.17 177.18 1gju h GLU 168 N 7.45 0.00 0.00 4.34 4.57 -1.94 -1.24 114.58 127.76 1gju h GLU 168 Ca -0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1gju h GLU 168 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1gju h GLU 168 CO 0.89 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.72 1gju h ARG 169 N 0.00 0.00 0.00 1.92 3.08 -1.98 -2.15 114.38 115.25 1gju h ARG 169 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1gju h ARG 169 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1gju h ARG 169 CO -0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 1gju n TYR 170 N -3.06 0.00 -2.66 3.04 0.53 -0.47 -4.79 117.16 109.76 1gju n TYR 170 Ca -0.01 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.50 1gju n TYR 170 Cb 0.23 -0.09 -0.05 0.00 -1.03 0.00 0.00 39.34 38.39 1gju n TYR 170 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 1gju s HIS 171 N -2.18 3.55 -0.23 -0.72 5.65 -0.81 -2.22 115.29 118.33 1gju s HIS 171 Ca 0.39 1.73 -0.06 0.00 0.25 0.00 0.00 55.06 57.38 1gju s HIS 171 Cb 0.20 -3.04 -0.02 0.00 -1.18 0.00 0.00 32.58 28.54 1gju s HIS 171 CO 0.37 -0.15 0.01 0.34 -0.65 0.00 0.00 174.74 174.66 1gju s ASP 172 N -1.49 4.76 0.44 9.88 -1.08 -1.26 -4.93 116.67 123.00 1gju s ASP 172 Ca 0.52 -0.27 0.22 0.00 -0.52 0.00 0.00 52.55 52.49 1gju s ASP 172 Cb -0.22 -1.83 1.18 0.00 -1.46 0.00 0.00 42.92 40.59 1gju s ASP 172 CO 0.28 -0.01 1.62 1.55 0.52 0.00 0.00 175.17 179.13 1gju h PRO 173 N 8.02 0.00 0.00 4.34 0.13 -1.96 -0.14 132.00 142.39 1gju h PRO 173 Ca -0.39 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 1gju h PRO 173 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1gju h PRO 173 CO 0.59 0.00 -0.39 -0.07 -0.23 0.00 0.00 178.00 177.91 1gju h LEU 174 N 0.00 0.00 -5.02 1.56 3.38 -1.94 -3.05 115.31 110.24 1gju h LEU 174 Ca 0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 1gju h LEU 174 Cb 0.46 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.93 1gju h LEU 174 CO 0.00 0.39 0.89 0.18 0.09 0.00 0.00 178.44 179.99 1gju n LEU 175 N -4.05 7.25 -0.27 1.67 4.77 -0.06 -4.86 117.00 121.45 1gju n LEU 175 Ca -0.02 -4.91 0.01 0.00 -0.03 0.00 0.00 56.01 51.07 1gju n LEU 175 Cb 0.42 -1.01 0.08 0.00 -2.33 0.00 0.00 43.42 40.58 1gju n LEU 175 CO 0.39 1.82 0.70 -0.08 -1.33 0.00 0.00 177.39 178.89 1gju h GLU 176 N 3.02 -0.01 0.00 3.23 4.22 -1.68 -0.09 114.58 123.27 1gju h GLU 176 Ca 0.54 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.98 1gju h GLU 176 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1gju h GLU 176 CO 1.37 -0.01 0.01 -2.30 -2.18 0.00 0.00 179.01 175.90 1gju n PRO 177 N -5.50 0.00 -4.39 0.92 -0.02 -1.26 -4.73 135.00 120.02 1gju n PRO 177 Ca 0.10 0.25 -0.24 0.00 -2.02 0.00 0.00 63.50 61.60 1gju n PRO 177 Cb 0.39 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.27 1gju n PRO 177 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1gju s PHE 178 N -2.49 2.48 0.25 6.00 0.40 -0.05 -5.14 117.98 119.43 1gju s PHE 178 Ca 0.00 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.10 1gju s PHE 178 Cb 0.00 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 1gju s PHE 178 CO 0.00 0.67 0.30 -1.59 0.70 0.00 0.00 175.22 175.30 1gju s LYS 179 N -3.59 3.24 0.22 0.44 -2.85 -1.26 -5.00 119.74 110.95 1gju s LYS 179 Ca 0.31 -0.88 -0.08 0.00 -1.00 0.00 0.00 55.97 54.32 1gju s LYS 179 Cb -0.05 -2.77 0.19 0.00 -2.06 0.00 0.00 37.83 33.14 1gju s LYS 179 CO 0.17 0.41 1.89 -0.24 0.10 0.00 0.00 175.35 177.68 1gju h VAL 180 N 1.28 1.23 0.00 1.79 3.04 -1.95 -2.06 116.25 119.57 1gju h VAL 180 Ca -0.51 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1gju h VAL 180 Cb 1.23 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1gju h VAL 180 CO 0.61 0.22 0.00 0.44 -1.01 0.00 0.00 177.57 177.83 1gju h ASP 181 N 1.16 0.00 0.03 3.17 5.19 -1.96 -1.86 116.42 122.15 1gju h ASP 181 Ca 0.31 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.65 1gju h ASP 181 Cb -0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1gju h ASP 181 CO -0.06 0.00 -0.32 -0.33 -3.12 0.00 0.00 179.24 175.40 1gju h GLU 182 N 0.00 0.06 -0.90 3.56 5.08 -1.80 -2.57 114.58 118.02 1gju h GLU 182 Ca 0.00 -0.11 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1gju h GLU 182 Cb 0.32 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 1gju h GLU 182 CO 0.00 1.05 0.53 0.93 -1.00 0.00 0.00 179.01 180.52 1gju h GLU 183 N -0.86 0.82 -0.34 2.33 5.08 -1.26 0.30 114.58 120.64 1gju h GLU 183 Ca -0.07 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1gju h GLU 183 Cb 1.17 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1gju h GLU 183 CO 0.01 0.54 -0.18 0.35 -1.00 0.00 0.00 179.01 178.72 1gju h PHE 184 N 0.84 0.85 -0.83 4.33 3.57 -1.44 0.09 116.94 124.35 1gju h PHE 184 Ca 0.45 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1gju h PHE 184 Cb 0.47 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1gju h PHE 184 CO -0.04 0.94 0.37 -0.22 -2.23 0.00 0.00 178.31 177.13 1gju h LYS 185 N 0.51 1.21 -0.19 1.11 3.64 -0.75 -1.13 116.57 120.97 1gju h LYS 185 Ca 0.07 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1gju h LYS 185 Cb 0.73 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1gju h LYS 185 CO 0.05 0.95 -0.20 0.00 -2.27 0.00 0.00 179.45 177.98 1gju h ALA 186 N 1.21 1.31 -0.27 5.00 0.00 -0.29 -1.97 119.26 124.26 1gju h ALA 186 Ca 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1gju h ALA 186 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1gju h ALA 186 CO -0.03 0.46 0.05 0.35 0.00 0.00 0.00 179.25 180.09 1gju h PHE 187 N 0.30 0.46 0.00 0.00 3.57 0.18 -2.17 116.94 119.29 1gju h PHE 187 Ca 0.05 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1gju h PHE 187 Cb 0.53 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1gju h PHE 187 CO 0.01 0.53 -0.28 0.28 -2.23 0.00 0.00 178.31 176.63 1gju h VAL 188 N 0.26 0.99 -0.11 1.41 2.07 -1.05 -2.13 116.25 117.69 1gju h VAL 188 Ca 0.08 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 1gju h VAL 188 Cb 0.31 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1gju h VAL 188 CO 0.00 0.27 -0.10 -0.33 0.02 0.00 0.00 177.57 177.44 1gju h GLU 189 N 0.00 0.26 -0.57 1.57 5.08 -1.17 -2.31 114.58 117.44 1gju h GLU 189 Ca -0.00 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1gju h GLU 189 Cb 0.56 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1gju h GLU 189 CO 0.04 0.66 0.27 0.00 -1.00 0.00 0.00 179.01 178.97 1gju h ALA 190 N 0.60 0.74 -0.74 3.43 0.00 -1.10 -1.09 119.26 121.09 1gju h ALA 190 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gju h ALA 190 Cb 0.60 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1gju h ALA 190 CO 0.02 -0.10 0.42 0.00 0.00 0.00 0.00 179.25 179.59 1gju h HIS 192 N 1.02 0.96 -0.87 0.00 -0.00 -0.85 0.83 115.15 116.24 1gju h HIS 192 Ca 0.26 -0.16 0.07 0.00 -0.00 0.00 0.00 60.37 60.54 1gju h HIS 192 Cb 0.01 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 27.11 1gju h HIS 192 CO -0.00 0.89 0.53 0.82 -0.00 0.00 0.00 177.93 180.17 1gju h ILE 193 N 0.74 1.02 -0.00 2.45 2.04 -1.03 -1.08 117.51 121.65 1gju h ILE 193 Ca 0.14 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1gju h ILE 193 Cb 0.51 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1gju h ILE 193 CO 0.02 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.53 1gju n LEU 194 N -4.63 0.14 0.00 1.44 4.77 -0.93 -4.87 117.00 112.91 1gju n LEU 194 Ca 0.13 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1gju n LEU 194 Cb 0.20 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1gju n LEU 194 CO 0.30 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1gju n GLY 195 N 1.02 0.74 3.61 -0.72 0.00 -0.41 -5.04 105.19 104.39 1gju n GLY 195 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1gju n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gju s ILE 196 N -2.50 5.02 0.58 -0.61 1.01 0.28 -4.81 121.20 120.17 1gju s ILE 196 Ca 0.00 0.91 -0.13 0.00 0.00 0.00 0.00 60.65 61.43 1gju s ILE 196 Cb 0.00 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1gju s ILE 196 CO 0.00 0.00 1.01 -0.13 0.00 0.00 0.00 174.94 175.83 1gju s ARG 197 N 2.43 3.72 -0.07 2.79 1.81 -0.71 -3.41 118.95 125.51 1gju s ARG 197 Ca 0.23 0.82 0.04 0.00 -1.72 0.00 0.00 55.73 55.10 1gju s ARG 197 Cb -0.15 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 1gju s ARG 197 CO 0.10 -0.46 -0.19 0.08 -0.68 0.00 0.00 175.30 174.15 1gju s VAL 198 N -2.98 1.60 -0.09 3.52 1.01 -1.26 -0.85 120.40 121.34 1gju s VAL 198 Ca 0.56 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1gju s VAL 198 Cb -0.11 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1gju s VAL 198 CO 0.46 0.46 -0.10 -0.63 0.00 0.00 0.00 175.10 175.28 1gju s ILE 199 N 0.30 1.12 0.44 2.22 1.01 -0.74 -1.05 121.20 124.50 1gju s ILE 199 Ca -0.12 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.20 1gju s ILE 199 Cb -0.15 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1gju s ILE 199 CO 0.05 0.37 0.41 -0.76 0.00 0.00 0.00 174.94 175.01 1gju s LEU 200 N 1.21 3.32 -0.04 2.97 1.43 -0.70 -1.38 118.68 125.49 1gju s LEU 200 Ca -0.04 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.34 1gju s LEU 200 Cb -0.14 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1gju s LEU 200 CO -0.03 -0.74 -0.23 -0.62 0.23 0.00 0.00 176.35 174.96 1gju s ASP 201 N -4.18 2.81 0.03 2.29 -1.08 -1.21 -0.54 116.67 114.78 1gju s ASP 201 Ca 0.48 -0.45 0.01 0.00 -0.52 0.00 0.00 52.55 52.06 1gju s ASP 201 Cb -0.03 -0.54 -0.02 0.00 -1.46 0.00 0.00 42.92 40.87 1gju s ASP 201 CO 0.28 0.26 -0.04 -0.36 0.52 0.00 0.00 175.17 175.82 1gju s PHE 202 N -0.34 0.39 -0.40 -5.34 0.40 -0.76 -4.30 117.98 107.62 1gju s PHE 202 Ca 0.03 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 1gju s PHE 202 Cb -0.11 -0.26 0.12 0.00 0.51 0.00 0.00 43.02 43.28 1gju s PHE 202 CO 0.01 -0.16 0.17 0.42 0.70 0.00 0.00 175.22 176.36 1gju s ILE 203 N -1.42 1.67 0.11 0.64 1.09 -1.26 -0.76 121.20 121.27 1gju s ILE 203 Ca -0.14 -2.37 -0.20 0.00 -1.10 0.00 0.00 60.65 56.84 1gju s ILE 203 Cb -0.10 -2.20 -0.08 0.00 -1.06 0.00 0.00 42.46 39.02 1gju s ILE 203 CO -0.01 -0.76 1.74 -0.65 -0.10 0.00 0.00 174.94 175.16 1gju h PRO 204 N 7.20 0.26 0.00 2.79 0.11 -1.96 -3.30 132.00 137.11 1gju h PRO 204 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1gju h PRO 204 Cb 0.96 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1gju h PRO 204 CO 0.53 0.21 0.00 -2.13 -0.21 0.00 0.00 178.00 176.40 1gju n ARG 205 N -4.93 0.13 -4.37 1.05 3.00 -1.26 -4.84 116.66 105.45 1gju n ARG 205 Ca -0.03 0.56 -0.27 0.00 -0.00 0.00 0.00 57.85 58.11 1gju n ARG 205 Cb 0.05 -1.88 -0.07 0.00 0.00 0.00 0.00 32.46 30.57 1gju n ARG 205 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1gju n THR 206 N -2.14 0.00 -3.52 5.15 -2.24 -1.24 -2.60 114.28 107.69 1gju n THR 206 Ca -0.00 -2.23 -0.09 0.00 -2.27 0.00 0.00 64.05 59.46 1gju n THR 206 Cb 0.08 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 1gju n THR 206 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gju s ALA 207 N -2.93 -1.84 0.92 6.98 0.00 -0.97 -4.81 121.76 119.11 1gju s ALA 207 Ca 0.10 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 1gju s ALA 207 Cb 0.00 0.26 0.15 0.00 0.00 0.00 0.00 23.12 23.53 1gju s ALA 207 CO 0.07 -0.64 1.14 0.00 0.00 0.00 0.00 175.76 176.34 1gju n ALA 208 N -0.11 -0.81 0.08 0.00 0.00 0.01 -0.88 120.51 118.80 1gju n ALA 208 Ca -0.09 -0.55 0.04 0.00 0.00 0.00 0.00 53.44 52.85 1gju n ALA 208 Cb 0.61 -2.20 0.46 0.00 0.00 0.00 0.00 19.45 18.33 1gju n ALA 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gju h ARG 209 N -1.86 0.37 -1.16 0.00 2.47 -1.87 -2.70 114.38 109.62 1gju h ARG 209 Ca -0.43 -0.03 -0.60 0.00 -1.26 0.00 0.00 59.98 57.66 1gju h ARG 209 Cb 1.27 -0.08 -0.39 0.00 -1.65 0.00 0.00 29.97 29.12 1gju h ARG 209 CO 0.41 0.29 -0.40 -0.40 0.56 0.00 0.00 179.97 180.42 1gju n ASP 210 N -4.45 5.44 -4.55 7.04 5.75 -1.26 -4.73 116.55 119.79 1gju n ASP 210 Ca 0.01 -3.75 -0.46 0.00 -0.01 0.00 0.00 54.79 50.58 1gju n ASP 210 Cb 0.10 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 39.65 1gju n ASP 210 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1gju n SER 211 N -0.64 0.72 0.31 -1.12 2.88 -1.02 -4.85 113.62 109.90 1gju n SER 211 Ca 0.46 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 59.35 1gju n SER 211 Cb 0.76 -1.21 1.00 0.00 -0.75 0.00 0.00 64.21 64.01 1gju n SER 211 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1gju h ASP 212 N 1.83 0.00 0.25 -3.46 3.32 -1.37 -2.22 116.42 114.77 1gju h ASP 212 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1gju h ASP 212 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1gju h ASP 212 CO 0.60 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 178.32 1gju n LEU 213 N -3.39 0.00 -0.02 1.55 4.77 -1.26 -3.60 117.00 115.04 1gju n LEU 213 Ca -0.02 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1gju n LEU 213 Cb 0.12 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1gju n LEU 213 CO 0.24 -0.12 0.52 0.40 -1.33 0.00 0.00 177.39 177.10 1gju h ILE 214 N 0.00 1.30 -0.24 -0.08 2.04 -1.66 -0.91 117.51 117.97 1gju h ILE 214 Ca 0.00 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1gju h ILE 214 Cb 0.13 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1gju h ILE 214 CO 0.00 0.54 0.15 0.03 0.00 0.00 0.00 178.15 178.87 1gju h ARG 215 N 0.51 0.32 0.00 2.37 3.08 -1.82 -2.02 114.38 116.82 1gju h ARG 215 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gju h ARG 215 Cb 1.03 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1gju h ARG 215 CO 0.10 0.24 -0.91 0.39 -1.07 0.00 0.00 179.97 178.72 1gju n GLU 216 N -4.90 0.35 -3.00 0.04 -0.58 -1.24 -4.54 120.64 106.76 1gju n GLU 216 Ca -0.03 0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.61 1gju n GLU 216 Cb 0.04 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.24 1gju n GLU 216 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1gju n HIS 217 N -2.14 0.38 0.27 -0.32 8.25 -0.35 -4.93 115.22 116.37 1gju n HIS 217 Ca 0.02 -3.42 0.18 0.00 -0.26 0.00 0.00 57.72 54.24 1gju n HIS 217 Cb 0.46 -0.33 0.91 0.00 1.12 0.00 0.00 29.99 32.15 1gju n HIS 217 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1gju h PRO 218 N 2.99 0.00 -0.45 -0.41 0.13 -1.53 -0.64 132.00 132.08 1gju h PRO 218 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1gju h PRO 218 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1gju h PRO 218 CO 0.48 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.85 1gju n ASP 219 N -3.39 1.65 -0.53 1.44 5.75 -1.26 -3.37 116.55 116.84 1gju n ASP 219 Ca -0.00 -2.10 0.12 0.00 -0.01 0.00 0.00 54.79 52.80 1gju n ASP 219 Cb 0.30 -0.29 0.09 0.00 -1.03 0.00 0.00 41.12 40.18 1gju n ASP 219 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1gju n TRP 220 N 0.18 0.00 -4.43 2.11 7.02 -0.25 -4.88 117.44 117.19 1gju n TRP 220 Ca 0.08 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.29 1gju n TRP 220 Cb 0.31 -0.02 -0.10 0.00 -2.42 0.00 0.00 31.31 29.09 1gju n TRP 220 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1gju s PHE 221 N -2.40 2.55 0.31 -5.99 0.40 -1.22 0.67 117.98 112.31 1gju s PHE 221 Ca 0.21 -0.64 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 1gju s PHE 221 Cb 0.19 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 1gju s PHE 221 CO 0.52 0.35 0.30 0.71 0.70 0.00 0.00 175.22 177.80 1gju s TYR 222 N -2.67 3.03 0.01 0.36 1.51 -1.26 -4.83 117.35 113.51 1gju s TYR 222 Ca 0.37 -0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 56.21 1gju s TYR 222 Cb 0.08 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1gju s TYR 222 CO 0.20 0.26 -0.02 -1.58 -1.11 0.00 0.00 175.55 173.30 1gju s TRP 223 N -2.21 0.19 0.05 2.71 0.52 -1.26 -4.25 118.94 114.68 1gju s TRP 223 Ca 0.39 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.12 1gju s TRP 223 Cb -0.07 -0.14 -0.03 0.00 -1.15 0.00 0.00 33.47 32.07 1gju s TRP 223 CO 0.27 -0.15 -0.04 0.96 0.02 0.00 0.00 176.95 178.00 1gju s ILE 224 N -1.14 0.33 0.24 2.03 -4.36 -0.38 -1.43 121.20 116.49 1gju s ILE 224 Ca -0.12 -1.45 -0.31 0.00 -0.26 0.00 0.00 60.65 58.51 1gju s ILE 224 Cb -0.08 -1.03 -0.11 0.00 1.25 0.00 0.00 42.46 42.49 1gju s ILE 224 CO -0.01 -0.73 1.56 -0.54 0.24 0.00 0.00 174.94 175.46 1gju s LYS 225 N -2.80 4.19 0.26 0.37 1.02 -0.64 -1.65 119.74 120.50 1gju s LYS 225 Ca -0.02 2.44 -0.01 0.00 0.02 0.00 0.00 55.97 58.41 1gju s LYS 225 Cb -0.01 -3.09 0.56 0.00 -0.52 0.00 0.00 37.83 34.77 1gju s LYS 225 CO -0.05 -0.58 1.73 0.28 -0.92 0.00 0.00 175.35 175.82 1gju h VAL 226 N 3.65 0.64 0.00 3.17 2.07 -1.66 0.38 116.25 124.50 1gju h VAL 226 Ca -0.45 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1gju h VAL 226 Cb 1.21 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1gju h VAL 226 CO 0.84 0.09 0.00 -1.84 0.02 0.00 0.00 177.57 176.68 1gju n GLU 227 N -4.96 0.01 -0.23 1.57 0.00 -1.26 -1.07 120.64 114.69 1gju n GLU 227 Ca 0.17 0.41 0.09 0.00 0.00 0.00 0.00 57.16 57.84 1gju n GLU 227 Cb 0.48 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.63 1gju n GLU 227 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1gju n GLU 228 N -1.46 2.53 0.17 3.44 -0.58 0.12 -4.65 120.64 120.22 1gju n GLU 228 Ca 0.01 -2.22 -0.14 0.00 -0.42 0.00 0.00 57.16 54.39 1gju n GLU 228 Cb 0.03 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 29.41 1gju n GLU 228 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1gju h LEU 229 N 3.30 -0.38 -0.68 -4.62 7.12 -1.13 -3.13 115.31 115.80 1gju h LEU 229 Ca 0.00 -0.15 0.15 0.00 0.13 0.00 0.00 57.88 58.01 1gju h LEU 229 Cb 0.85 0.10 -0.11 0.00 -0.53 0.00 0.00 40.66 40.96 1gju h LEU 229 CO 0.00 -0.04 0.06 0.00 -0.13 0.00 0.00 178.44 178.33 1gju h ALA 230 N -0.22 0.75 -0.58 1.25 0.00 -1.83 -2.54 119.26 116.10 1gju h ALA 230 Ca -0.05 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1gju h ALA 230 Cb 0.50 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1gju h ALA 230 CO 0.08 -0.38 0.07 -0.25 0.00 0.00 0.00 179.25 178.76 1gju n ASP 231 N -5.25 5.31 -4.63 0.00 9.92 -1.25 -4.94 116.55 115.71 1gju n ASP 231 Ca 0.11 -3.03 -0.43 0.00 -0.53 0.00 0.00 54.79 50.92 1gju n ASP 231 Cb 0.41 -0.69 -0.02 0.00 -0.64 0.00 0.00 41.12 40.18 1gju n ASP 231 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1gju s TYR 232 N -2.85 2.66 0.07 1.24 5.04 -0.96 -4.97 117.35 117.58 1gju s TYR 232 Ca 0.54 0.86 -0.13 0.00 -2.44 0.00 0.00 57.07 55.90 1gju s TYR 232 Cb 0.42 -3.91 0.02 0.00 0.35 0.00 0.00 41.96 38.84 1gju s TYR 232 CO 0.14 -1.76 0.28 0.95 -1.34 0.00 0.00 175.55 173.83 1gju s THR 233 N 4.40 0.10 -0.10 4.34 -4.23 -1.26 -5.03 115.64 113.86 1gju s THR 233 Ca 0.57 -0.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.99 1gju s THR 233 Cb -0.17 -1.06 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 1gju s THR 233 CO 0.23 -0.44 1.62 -2.16 -0.54 0.00 0.00 174.62 173.33 1gju s PRO 234 N -3.04 4.10 -0.12 3.99 0.04 -1.26 -4.92 135.00 133.79 1gju s PRO 234 Ca -0.02 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 62.75 1gju s PRO 234 Cb 0.01 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 30.47 1gju s PRO 234 CO -0.06 -0.93 2.02 -0.35 0.04 0.00 0.00 177.00 177.71 1gju n PRO 235 N 7.20 2.18 -2.01 0.56 -0.04 -1.26 -4.93 135.00 136.71 1gju n PRO 235 Ca 0.17 0.75 -0.30 0.00 -0.04 0.00 0.00 63.50 64.08 1gju n PRO 235 Cb 0.43 -2.85 0.01 0.00 -0.04 0.00 0.00 33.50 31.06 1gju n PRO 235 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1gju s ARG 236 N 4.93 3.51 -0.46 0.54 0.52 -1.26 -4.79 118.95 121.94 1gju s ARG 236 Ca 0.96 0.62 0.06 0.00 -0.52 0.00 0.00 55.73 56.84 1gju s ARG 236 Cb -0.57 -2.13 0.19 0.00 0.52 0.00 0.00 34.95 32.96 1gju s ARG 236 CO 0.45 -0.55 0.57 0.00 0.02 0.00 0.00 175.30 175.79 1gju n ALA 237 N -2.69 0.38 -0.33 2.13 0.00 -1.26 -4.97 120.51 113.77 1gju n ALA 237 Ca 0.05 -2.06 0.22 0.00 0.00 0.00 0.00 53.44 51.65 1gju n ALA 237 Cb 0.55 -1.13 0.45 0.00 0.00 0.00 0.00 19.45 19.31 1gju n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1gju h GLU 238 N 5.12 0.33 0.00 0.00 4.39 -1.96 0.89 114.58 123.35 1gju h GLU 238 Ca 0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1gju h GLU 238 Cb 1.01 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1gju h GLU 238 CO 0.21 0.22 0.00 -0.85 -1.16 0.00 0.00 179.01 177.43 1gju n GLU 239 N -5.05 0.08 -4.10 2.33 0.00 -1.26 -4.69 120.64 107.95 1gju n GLU 239 Ca 0.30 0.25 -0.28 0.00 0.00 0.00 0.00 57.16 57.44 1gju n GLU 239 Cb 0.93 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.81 1gju n GLU 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1gju s LEU 240 N -2.66 3.67 1.14 -1.84 1.43 0.31 -5.11 118.68 115.61 1gju s LEU 240 Ca 0.06 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 1gju s LEU 240 Cb 0.05 -2.31 0.27 0.00 0.03 0.00 0.00 46.19 44.23 1gju s LEU 240 CO 0.12 0.11 1.04 -2.84 0.23 0.00 0.00 176.35 175.00 1gju s PRO 241 N -2.84 -0.76 -0.94 1.29 0.02 -1.26 -4.93 135.00 125.58 1gju s PRO 241 Ca 0.29 0.83 -0.16 0.00 0.02 0.00 0.00 61.00 61.98 1gju s PRO 241 Cb -0.10 -1.57 0.18 0.00 0.02 0.00 0.00 34.50 33.02 1gju s PRO 241 CO 0.22 -3.62 1.02 0.12 -0.33 0.00 0.00 177.00 174.41 1gju s PHE 242 N -2.52 3.51 0.27 6.54 5.36 -1.26 -4.72 117.98 125.17 1gju s PHE 242 Ca 0.68 -1.82 -0.20 0.00 -0.96 0.00 0.00 56.93 54.64 1gju s PHE 242 Cb -0.24 -4.07 0.06 0.00 -0.34 0.00 0.00 43.02 38.43 1gju s PHE 242 CO 0.64 -1.24 0.92 -1.59 -1.46 0.00 0.00 175.22 172.48 1gju s LYS 243 N 1.25 1.72 -0.13 10.12 -2.85 -1.16 -4.92 119.74 123.77 1gju s LYS 243 Ca 0.28 -1.09 -0.29 0.00 -1.00 0.00 0.00 55.97 53.86 1gju s LYS 243 Cb -0.07 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1gju s LYS 243 CO -0.08 -0.80 1.08 0.08 0.10 0.00 0.00 175.35 175.73 1gju s VAL 244 N -2.35 4.60 0.61 1.79 1.01 -1.26 -0.35 120.40 124.45 1gju s VAL 244 Ca 0.18 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 63.87 1gju s VAL 244 Cb -0.04 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1gju s VAL 244 CO 0.08 -0.05 1.27 -2.16 0.00 0.00 0.00 175.10 174.24 1gju s PRO 245 N 2.45 2.77 0.00 2.72 0.04 -1.26 -4.96 135.00 136.76 1gju s PRO 245 Ca 0.50 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1gju s PRO 245 Cb -0.19 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1gju s PRO 245 CO 0.16 -1.41 0.00 -0.40 0.04 0.00 0.00 177.00 175.39 1gju n ASP 246 N -1.68 0.00 0.09 6.66 5.68 -1.26 -4.97 116.55 121.07 1gju n ASP 246 Ca 0.14 -0.89 -0.13 0.00 -0.50 0.00 0.00 54.79 53.42 1gju n ASP 246 Cb 0.48 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 1gju n ASP 246 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1gju h GLU 247 N 0.00 -0.18 -0.88 0.11 4.22 -2.00 -3.13 114.58 112.72 1gju h GLU 247 Ca 0.00 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.53 1gju h GLU 247 Cb 0.00 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1gju h GLU 247 CO 0.00 0.00 0.54 -0.44 -2.18 0.00 0.00 179.01 176.93 1gju h ASP 248 N -0.33 0.82 0.37 1.04 3.32 -2.01 -2.19 116.42 117.44 1gju h ASP 248 Ca -0.02 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1gju h ASP 248 Cb 0.26 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1gju h ASP 248 CO 0.03 0.50 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.49 1gju h GLU 249 N 0.94 0.00 -0.89 3.56 5.08 -1.95 -2.84 114.58 118.49 1gju h GLU 249 Ca 0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1gju h GLU 249 Cb 0.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1gju h GLU 249 CO -0.21 0.22 0.51 -0.07 -1.00 0.00 0.00 179.01 178.46 1gju h LEU 250 N 0.00 1.09 -1.06 1.33 3.38 -1.33 0.32 115.31 119.04 1gju h LEU 250 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1gju h LEU 250 Cb 0.47 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1gju h LEU 250 CO 0.03 0.86 0.57 -0.08 0.09 0.00 0.00 178.44 179.91 1gju h GLU 251 N 1.23 1.21 -0.03 1.13 4.81 -1.57 -0.58 114.58 120.79 1gju h GLU 251 Ca 0.31 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1gju h GLU 251 Cb -0.00 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.11 1gju h GLU 251 CO -0.05 0.82 -0.10 0.82 -0.73 0.00 0.00 179.01 179.77 1gju h ILE 252 N 1.24 1.46 -0.79 2.32 2.04 -1.32 -3.25 117.51 119.22 1gju h ILE 252 Ca 0.33 -1.52 0.10 0.00 1.00 0.00 0.00 64.86 64.77 1gju h ILE 252 Cb -0.10 2.39 -0.08 0.00 -0.74 0.00 0.00 36.82 38.30 1gju h ILE 252 CO -0.07 0.41 0.43 0.40 0.00 0.00 0.00 178.15 179.32 1gju h ILE 253 N -0.44 0.86 0.00 -0.67 2.04 -0.17 -1.42 117.51 117.71 1gju h ILE 253 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1gju h ILE 253 Cb 0.72 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1gju h ILE 253 CO 0.02 0.13 0.00 -1.22 0.00 0.00 0.00 178.15 177.08 1gju n TYR 254 N -4.80 0.41 0.32 1.37 4.02 -0.24 -2.45 117.16 115.79 1gju n TYR 254 Ca 0.13 0.15 0.12 0.00 -0.01 0.00 0.00 57.90 58.29 1gju n TYR 254 Cb 0.30 -0.75 0.24 0.00 -0.02 0.00 0.00 39.34 39.12 1gju n TYR 254 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1gju n ASN 255 N -1.87 3.34 -4.81 7.72 3.02 -0.54 -4.73 115.26 117.39 1gju n ASN 255 Ca 0.03 -1.97 -0.36 0.00 -0.03 0.00 0.00 54.58 52.26 1gju n ASN 255 Cb 0.23 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1gju n ASN 255 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gju s LYS 256 N -1.46 4.32 0.18 3.52 -0.14 -1.02 -4.99 119.74 120.13 1gju s LYS 256 Ca 0.39 0.99 -0.10 0.00 -1.36 0.00 0.00 55.97 55.89 1gju s LYS 256 Cb 0.23 -2.76 0.06 0.00 -1.68 0.00 0.00 37.83 33.68 1gju s LYS 256 CO 0.31 0.31 1.65 1.49 -0.76 0.00 0.00 175.35 178.35 1gju h GLU 257 N 3.12 1.03 0.00 1.68 4.57 -1.92 -2.46 114.58 120.60 1gju h GLU 257 Ca -0.48 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 57.31 1gju h GLU 257 Cb 1.19 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1gju h GLU 257 CO 0.65 0.99 -0.46 -2.95 -1.18 0.00 0.00 179.01 176.05 1gju h ASN 258 N 0.93 0.00 -0.24 1.04 -1.07 -1.94 -1.86 115.58 112.43 1gju h ASN 258 Ca 0.18 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.42 1gju h ASN 258 Cb 0.49 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.74 1gju h ASN 258 CO 0.02 0.46 -0.33 0.58 0.07 0.00 0.00 177.43 178.24 1gju h VAL 259 N 0.00 1.32 -0.43 6.14 2.07 -1.81 -0.95 116.25 122.59 1gju h VAL 259 Ca -0.00 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1gju h VAL 259 Cb 0.85 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1gju h VAL 259 CO 0.06 0.48 0.13 0.11 0.02 0.00 0.00 177.57 178.37 1gju h LYS 260 N 0.35 0.62 -0.09 1.57 1.57 -1.26 0.75 116.57 120.09 1gju h LYS 260 Ca 0.03 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1gju h LYS 260 Cb 0.91 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1gju h LYS 260 CO 0.08 0.55 -0.54 0.00 -0.57 0.00 0.00 179.45 178.96 1gju h ARG 261 N 0.61 0.25 0.60 3.15 3.08 -1.09 -2.92 114.38 118.07 1gju h ARG 261 Ca 0.15 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1gju h ARG 261 Cb 0.19 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1gju h ARG 261 CO -0.01 0.73 -0.29 1.25 -1.07 0.00 0.00 179.97 180.58 1gju h HIS 262 N 0.19 -0.75 -0.88 3.04 2.76 0.07 -2.85 115.15 116.72 1gju h HIS 262 Ca 0.00 -0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.41 1gju h HIS 262 Cb 1.02 0.25 -0.04 0.00 1.55 0.00 0.00 27.41 30.19 1gju h HIS 262 CO 0.02 -0.43 0.65 -0.07 -1.30 0.00 0.00 177.93 176.80 1gju h LEU 263 N -0.93 0.00 0.00 0.26 3.38 -0.87 -0.51 115.31 116.63 1gju h LEU 263 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1gju h LEU 263 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1gju h LEU 263 CO 0.14 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.84 1gju n LYS 264 N -4.21 0.90 0.11 1.13 4.81 -1.08 -3.66 118.16 116.17 1gju n LYS 264 Ca 0.18 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.75 1gju n LYS 264 Cb 0.97 -1.50 0.20 0.00 0.02 0.00 0.00 35.03 34.72 1gju n LYS 264 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1gju h LYS 265 N 0.00 0.00 -7.05 1.64 1.57 -1.13 -3.48 116.57 108.12 1gju h LYS 265 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1gju h LYS 265 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1gju h LYS 265 CO 0.00 0.00 0.29 -0.06 -0.57 0.00 0.00 179.45 179.11 1gju s PHE 266 N -3.19 3.42 0.28 -1.35 0.08 -1.24 -1.62 117.98 114.36 1gju s PHE 266 Ca 0.06 1.38 0.02 0.00 0.12 0.00 0.00 56.93 58.51 1gju s PHE 266 Cb 0.11 -2.70 -0.01 0.00 -0.57 0.00 0.00 43.02 39.85 1gju s PHE 266 CO 0.69 -0.22 0.08 0.25 -0.10 0.00 0.00 175.22 175.92 1gju n THR 267 N -1.23 0.00 -3.12 0.64 -2.24 -0.51 -4.80 114.28 103.02 1gju n THR 267 Ca 0.05 -1.55 -0.25 0.00 -2.27 0.00 0.00 64.05 60.03 1gju n THR 267 Cb 0.54 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 1gju n THR 267 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1gju s LEU 268 N 0.00 3.88 0.80 3.22 1.43 -1.26 -4.42 118.68 122.33 1gju s LEU 268 Ca 0.11 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 53.70 1gju s LEU 268 Cb 0.01 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.74 1gju s LEU 268 CO 0.08 -0.39 0.88 -2.65 0.23 0.00 0.00 176.35 174.50 1gju n PRO 269 N -1.91 0.17 0.28 1.29 -0.02 -1.26 -4.76 135.00 128.79 1gju n PRO 269 Ca -0.03 0.12 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 1gju n PRO 269 Cb 0.56 -2.17 0.81 0.00 -0.02 0.00 0.00 33.50 32.68 1gju n PRO 269 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1gju h PRO 270 N -0.80 0.00 -0.23 0.52 0.13 -1.97 -2.13 132.00 127.51 1gju h PRO 270 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1gju h PRO 270 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1gju h PRO 270 CO 0.43 0.01 -0.38 -2.95 -0.23 0.00 0.00 178.00 174.88 1gju h ASN 271 N 0.00 0.55 0.86 1.44 7.08 -1.89 -3.10 115.58 120.51 1gju h ASN 271 Ca -0.00 -0.23 0.00 0.00 -3.08 0.00 0.00 56.30 52.99 1gju h ASN 271 Cb 0.03 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.11 1gju h ASN 271 CO 0.00 0.88 -0.41 0.18 -2.08 0.00 0.00 177.43 176.00 1gju n LEU 272 N -4.04 0.54 -0.08 6.14 4.77 -0.83 -3.33 117.00 120.17 1gju n LEU 272 Ca -0.01 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1gju n LEU 272 Cb 0.50 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1gju n LEU 272 CO 0.44 -0.01 0.14 0.40 -1.33 0.00 0.00 177.39 177.04 1gju h ILE 273 N 0.00 1.39 -2.08 -0.08 2.04 -1.44 -3.44 117.51 113.90 1gju h ILE 273 Ca 0.00 -2.14 -0.44 0.00 1.00 0.00 0.00 64.86 63.28 1gju h ILE 273 Cb 0.63 2.72 -0.33 0.00 -0.74 0.00 0.00 36.82 39.11 1gju h ILE 273 CO 0.00 0.47 -0.76 -0.62 0.00 0.00 0.00 178.15 177.24 1gju s ASP 274 N -6.27 1.36 0.38 1.72 -1.08 -1.18 -5.03 116.67 106.57 1gju s ASP 274 Ca -0.19 -2.00 0.17 0.00 -0.52 0.00 0.00 52.55 50.01 1gju s ASP 274 Cb -0.01 0.29 1.08 0.00 -1.46 0.00 0.00 42.92 42.83 1gju s ASP 274 CO 0.59 -0.24 1.73 -0.65 0.52 0.00 0.00 175.17 177.12 1gju h PRO 275 N 6.62 0.39 -0.16 4.34 0.11 -1.79 -0.25 132.00 141.26 1gju h PRO 275 Ca 0.09 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.99 1gju h PRO 275 Cb 1.02 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.05 1gju h PRO 275 CO 0.23 0.26 -0.65 0.37 -0.21 0.00 0.00 178.00 177.99 1gju h GLN 276 N 0.40 0.73 -0.51 1.05 -0.00 -1.95 -2.75 115.11 112.09 1gju h GLN 276 Ca 0.65 -0.57 -0.08 0.00 -0.00 0.00 0.00 58.65 58.66 1gju h GLN 276 Cb 1.57 0.11 -0.02 0.00 0.00 0.00 0.00 27.48 29.14 1gju h GLN 276 CO -0.39 1.18 0.02 -0.22 0.00 0.00 0.00 178.83 179.42 1gju h LYS 277 N 0.44 0.88 0.11 1.69 3.64 -1.63 -2.16 116.57 119.54 1gju h LYS 277 Ca -0.03 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1gju h LYS 277 Cb 1.28 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1gju h LYS 277 CO 0.14 0.90 -0.25 2.35 -2.27 0.00 0.00 179.45 180.32 1gju h TRP 278 N 0.75 -0.68 -0.08 1.91 -0.00 -1.11 -1.09 115.95 115.65 1gju h TRP 278 Ca 0.15 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1gju h TRP 278 Cb 0.50 0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 29.94 1gju h TRP 278 CO 0.04 -0.35 0.07 0.93 -0.00 0.00 0.00 178.44 179.12 1gju h GLU 279 N -0.46 0.00 0.30 2.65 4.39 -1.38 0.19 114.58 120.27 1gju h GLU 279 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1gju h GLU 279 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1gju h GLU 279 CO -0.15 0.00 -0.14 0.87 -1.16 0.00 0.00 179.01 178.43 1gju h LYS 280 N 0.00 -0.38 -0.27 2.33 1.57 -0.56 -3.32 116.57 115.93 1gju h LYS 280 Ca 0.04 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1gju h LYS 280 Cb 0.18 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1gju h LYS 280 CO -0.00 -0.25 0.18 -0.84 -0.57 0.00 0.00 179.45 177.97 1gju h ILE 281 N -0.69 1.07 -1.16 1.86 3.07 -1.14 -2.81 117.51 117.71 1gju h ILE 281 Ca -0.04 -0.13 0.34 0.00 1.55 0.00 0.00 64.86 66.58 1gju h ILE 281 Cb 0.30 0.67 -0.05 0.00 -0.27 0.00 0.00 36.82 37.48 1gju h ILE 281 CO 0.07 0.07 1.14 0.50 -1.05 0.00 0.00 178.15 178.88 1gju h LYS 282 N 0.37 0.00 -0.52 0.16 3.64 -0.76 1.17 116.57 120.62 1gju h LYS 282 Ca 0.10 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1gju h LYS 282 Cb -0.04 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.69 1gju h LYS 282 CO -0.02 0.00 0.13 2.89 -2.27 0.00 0.00 179.45 180.18 1gju n ARG 283 N -3.51 3.06 -4.11 1.90 0.00 -1.06 -5.00 116.66 107.95 1gju n ARG 283 Ca 0.26 -3.04 -0.22 0.00 -0.00 0.00 0.00 57.85 54.84 1gju n ARG 283 Cb 1.50 -2.03 -0.04 0.00 -0.00 0.00 0.00 32.46 31.89 1gju n ARG 283 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1gju s GLU 284 N -3.01 2.93 0.16 2.89 2.02 0.40 -5.10 118.70 119.00 1gju s GLU 284 Ca 0.49 -1.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.26 1gju s GLU 284 Cb 0.41 -2.58 -0.08 0.00 0.10 0.00 0.00 34.13 31.98 1gju s GLU 284 CO 0.09 0.41 0.67 -1.83 0.02 0.00 0.00 175.26 174.63 1gju s GLU 285 N -3.75 4.27 0.00 1.61 1.03 -1.26 -4.96 118.70 115.64 1gju s GLU 285 Ca 0.33 0.85 0.00 0.00 0.03 0.00 0.00 54.97 56.18 1gju s GLU 285 Cb -0.08 -3.07 0.00 0.00 -0.80 0.00 0.00 34.13 30.18 1gju s GLU 285 CO 0.25 0.51 0.00 0.41 -1.33 0.00 0.00 175.26 175.10 1gju n GLY 286 N 1.19 2.86 3.67 -3.83 0.00 -1.26 -5.03 105.19 102.80 1gju n GLY 286 Ca -0.06 -2.07 -0.46 0.00 0.00 0.00 0.00 46.02 43.43 1gju n GLY 286 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gju n ASN 287 N 0.00 3.71 -0.32 1.61 2.85 -1.26 -4.89 115.26 116.96 1gju n ASN 287 Ca 0.00 0.95 0.14 0.00 -0.11 0.00 0.00 54.58 55.56 1gju n ASN 287 Cb 0.00 -1.43 0.32 0.00 1.24 0.00 0.00 39.78 39.92 1gju n ASN 287 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1gju h ILE 288 N 5.51 0.53 -0.17 -1.44 6.09 -1.93 -2.14 117.51 123.97 1gju h ILE 288 Ca -0.49 -0.17 -0.16 0.00 -1.37 0.00 0.00 64.86 62.67 1gju h ILE 288 Cb 1.26 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 1gju h ILE 288 CO 0.95 0.09 -0.58 0.25 -3.07 0.00 0.00 178.15 175.79 1gju h LEU 289 N 0.49 0.60 -0.50 2.19 5.85 -1.90 -2.06 115.31 119.99 1gju h LEU 289 Ca 0.58 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1gju h LEU 289 Cb 1.06 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1gju h LEU 289 CO -0.49 1.04 0.16 -0.33 -0.34 0.00 0.00 178.44 178.49 1gju h GLU 290 N 0.40 0.77 -0.34 1.25 5.08 -1.79 -1.85 114.58 118.10 1gju h GLU 290 Ca 0.00 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1gju h GLU 290 Cb 1.12 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1gju h GLU 290 CO 0.11 0.71 0.17 -0.07 -1.00 0.00 0.00 179.01 178.94 1gju h LEU 291 N 0.67 0.26 -0.65 1.33 3.38 -1.39 -0.75 115.31 118.18 1gju h LEU 291 Ca 0.16 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1gju h LEU 291 Cb 0.26 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1gju h LEU 291 CO -0.01 0.19 0.01 0.40 0.09 0.00 0.00 178.44 179.12 1gju h ILE 292 N 0.36 1.26 -0.05 1.22 2.04 -1.28 0.22 117.51 121.28 1gju h ILE 292 Ca 0.14 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1gju h ILE 292 Cb 0.05 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1gju h ILE 292 CO -0.09 0.42 0.03 0.58 0.00 0.00 0.00 178.15 179.08 1gju h VAL 293 N 0.97 1.05 -0.50 1.67 2.07 -1.04 0.36 116.25 120.83 1gju h VAL 293 Ca 0.17 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1gju h VAL 293 Cb 0.55 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1gju h VAL 293 CO 0.03 0.05 -0.00 0.50 0.02 0.00 0.00 177.57 178.16 1gju h LYS 294 N 0.02 0.84 0.05 1.57 3.64 -0.99 0.27 116.57 121.98 1gju h LYS 294 Ca 0.02 -0.24 -0.31 0.00 -1.27 0.00 0.00 60.65 58.85 1gju h LYS 294 Cb 0.05 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1gju h LYS 294 CO -0.00 0.85 -1.76 0.93 -2.27 0.00 0.00 179.45 177.20 1gju h GLU 295 N 0.78 0.10 -0.01 1.90 4.39 -0.82 -3.39 114.58 117.53 1gju h GLU 295 Ca 0.15 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1gju h GLU 295 Cb 0.47 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1gju h GLU 295 CO 0.02 0.78 -0.05 1.19 -1.16 0.00 0.00 179.01 179.79 1gju n PHE 296 N -3.22 0.00 -3.49 4.33 3.01 0.13 -5.00 117.46 113.22 1gju n PHE 296 Ca -0.21 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.00 1gju n PHE 296 Cb 1.05 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.53 1gju n PHE 296 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gju n GLY 297 N 0.50 -0.50 3.24 1.37 0.00 0.96 -4.96 105.19 105.81 1gju n GLY 297 Ca 0.03 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1gju n GLY 297 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gju s ILE 298 N -3.10 0.88 0.15 -0.61 -4.36 -1.26 -1.76 121.20 111.15 1gju s ILE 298 Ca 0.47 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.68 1gju s ILE 298 Cb -0.24 -1.99 0.04 0.00 1.25 0.00 0.00 42.46 41.52 1gju s ILE 298 CO 0.58 -0.61 0.47 -0.51 0.24 0.00 0.00 174.94 175.11 1gju s ILE 299 N -3.51 0.05 0.40 8.37 2.07 -0.66 -3.46 121.20 124.45 1gju s ILE 299 Ca 0.20 -0.54 -0.24 0.00 -1.41 0.00 0.00 60.65 58.66 1gju s ILE 299 Cb 0.05 -1.25 -0.09 0.00 0.13 0.00 0.00 42.46 41.29 1gju s ILE 299 CO 0.02 -0.21 1.04 0.42 -1.91 0.00 0.00 174.94 174.30 1gju s THR 300 N -3.82 3.77 0.54 4.00 -4.23 -1.26 -1.25 115.64 113.39 1gju s THR 300 Ca 0.04 1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 61.76 1gju s THR 300 Cb 0.01 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 70.12 1gju s THR 300 CO -0.10 -0.02 0.95 -2.16 -0.54 0.00 0.00 174.62 172.75 1gju s PRO 301 N -2.55 3.73 0.65 3.99 0.04 -1.26 -4.88 135.00 134.71 1gju s PRO 301 Ca 0.58 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 1gju s PRO 301 Cb -0.21 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 1gju s PRO 301 CO 0.26 -0.35 1.04 -1.25 0.04 0.00 0.00 177.00 176.75 1gju s PRO 302 N -4.58 3.26 0.83 0.56 0.04 -1.26 -4.37 135.00 129.47 1gju s PRO 302 Ca 0.55 0.90 -0.07 0.00 0.04 0.00 0.00 61.00 62.42 1gju s PRO 302 Cb -0.10 -2.03 0.16 0.00 0.04 0.00 0.00 34.50 32.56 1gju s PRO 302 CO 0.42 -0.84 1.14 0.20 0.04 0.00 0.00 177.00 177.96 1gju s GLY 303 N -3.80 1.77 -0.07 0.56 0.00 -0.08 -4.87 107.32 100.83 1gju s GLY 303 Ca 0.57 -1.52 -0.31 0.00 0.00 0.00 0.00 44.72 43.47 1gju s GLY 303 CO 0.52 -0.86 1.00 -0.11 0.00 0.00 0.00 173.10 173.65 1gju s PHE 304 N -3.46 -0.27 0.55 1.90 -0.12 -1.26 -0.99 117.98 114.33 1gju s PHE 304 Ca 0.70 0.16 -0.19 0.00 -0.05 0.00 0.00 56.93 57.54 1gju s PHE 304 Cb -0.05 0.53 -0.08 0.00 -0.63 0.00 0.00 43.02 42.79 1gju s PHE 304 CO 0.48 -0.43 0.70 0.45 -0.05 0.00 0.00 175.22 176.37 1gju n SER 305 N -0.20 -0.27 -0.76 1.98 2.88 -1.26 -4.92 113.62 111.07 1gju n SER 305 Ca -0.05 0.81 0.11 0.00 -1.33 0.00 0.00 58.87 58.40 1gju n SER 305 Cb 0.61 -1.25 0.31 0.00 -0.75 0.00 0.00 64.21 63.13 1gju n SER 305 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1gju n ASP 306 N 0.23 2.29 -4.72 -3.46 5.75 -1.26 -4.82 116.55 110.55 1gju n ASP 306 Ca 0.12 -1.82 -0.36 0.00 -0.01 0.00 0.00 54.79 52.72 1gju n ASP 306 Cb 0.46 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 40.32 1gju n ASP 306 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1gju s LEU 307 N -1.53 4.22 0.37 -2.12 1.02 -1.26 -4.40 118.68 114.98 1gju s LEU 307 Ca 0.34 0.38 -0.26 0.00 0.02 0.00 0.00 54.13 54.61 1gju s LEU 307 Cb 0.19 -2.25 -0.09 0.00 0.02 0.00 0.00 46.19 44.06 1gju s LEU 307 CO 0.28 0.12 1.09 -0.51 0.02 0.00 0.00 176.35 177.35 1gju s ILE 308 N 0.49 3.51 -0.50 -0.59 2.07 0.53 -3.44 121.20 123.26 1gju s ILE 308 Ca 0.13 1.27 0.00 0.00 -1.41 0.00 0.00 60.65 60.64 1gju s ILE 308 Cb -0.12 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.75 1gju s ILE 308 CO 0.02 0.12 0.00 0.59 -1.91 0.00 0.00 174.94 173.76 1gju n ASN 309 N 0.29 -3.85 -4.71 4.50 3.02 -1.26 -3.00 115.26 110.25 1gju n ASN 309 Ca 0.03 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 1gju n ASN 309 Cb 0.48 -1.77 -0.03 0.00 -0.61 0.00 0.00 39.78 37.85 1gju n ASN 309 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1gju s ASP 310 N -2.66 6.93 0.00 6.41 -1.08 -1.22 -4.92 116.67 120.12 1gju s ASP 310 Ca 0.00 2.15 0.29 0.00 -0.52 0.00 0.00 52.55 54.48 1gju s ASP 310 Cb 0.00 -2.58 1.33 0.00 -1.46 0.00 0.00 42.92 40.21 1gju s ASP 310 CO 0.00 -0.60 1.97 -0.81 0.52 0.00 0.00 175.17 176.24 1gju n PRO 311 N 4.29 0.14 -2.07 4.34 -0.04 -1.26 -4.86 135.00 135.54 1gju n PRO 311 Ca 0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 1gju n PRO 311 Cb 0.44 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1gju n PRO 311 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1gju s GLN 312 N -2.85 3.49 1.28 0.54 -2.07 -1.26 -5.00 119.66 113.79 1gju s GLN 312 Ca 0.19 1.94 -0.20 0.00 -1.82 0.00 0.00 55.36 55.46 1gju s GLN 312 Cb 0.19 -2.32 0.32 0.00 -1.09 0.00 0.00 33.01 30.11 1gju s GLN 312 CO 0.50 -0.82 1.04 -1.25 -1.32 0.00 0.00 175.29 173.45 1gju s PRO 313 N -2.81 -1.86 0.46 9.60 0.04 -1.26 -4.94 135.00 134.22 1gju s PRO 313 Ca 0.67 0.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.53 1gju s PRO 313 Cb -0.33 -1.51 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 1gju s PRO 313 CO 0.39 -4.15 0.98 0.95 0.04 0.00 0.00 177.00 175.21 1gju s THR 314 N -2.73 4.27 -1.13 1.26 -4.23 -1.26 -4.81 115.64 107.01 1gju s THR 314 Ca 0.70 1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 62.41 1gju s THR 314 Cb -0.11 -3.58 0.14 0.00 1.34 0.00 0.00 72.50 70.29 1gju s THR 314 CO 0.57 -0.36 1.39 0.26 -0.54 0.00 0.00 174.62 175.94 1gju s TRP 315 N -2.20 3.24 0.33 3.99 0.51 -0.16 -4.89 118.94 119.75 1gju s TRP 315 Ca 0.63 -1.78 0.38 0.00 -2.12 0.00 0.00 56.10 53.21 1gju s TRP 315 Cb -0.11 -4.39 1.88 0.00 -0.81 0.00 0.00 33.47 30.04 1gju s TRP 315 CO 0.17 -1.51 2.15 -0.44 -0.51 0.00 0.00 176.95 176.81 1gju h ASP 316 N 7.85 0.00 -0.54 2.95 5.19 -1.91 -2.24 116.42 127.72 1gju h ASP 316 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1gju h ASP 316 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1gju h ASP 316 CO 1.25 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 176.47 1gju n ASP 317 N -2.98 3.01 -3.99 6.45 5.75 -1.26 -4.80 116.55 118.72 1gju n ASP 317 Ca -0.01 -1.99 -0.08 0.00 -0.01 0.00 0.00 54.79 52.70 1gju n ASP 317 Cb 0.16 -0.36 -0.09 0.00 -1.03 0.00 0.00 41.12 39.80 1gju n ASP 317 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1gju s VAL 318 N -1.28 0.18 0.31 2.12 -7.23 -1.11 -3.83 120.40 109.56 1gju s VAL 318 Ca 0.38 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.09 1gju s VAL 318 Cb 0.20 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1gju s VAL 318 CO 0.26 -0.82 0.14 0.28 -0.31 0.00 0.00 175.10 174.65 1gju s THR 319 N -3.62 0.44 0.17 5.32 -1.32 -0.06 -0.90 115.64 115.66 1gju s THR 319 Ca 0.04 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.54 1gju s THR 319 Cb 0.05 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 1gju s THR 319 CO -0.09 0.00 0.31 -0.36 -2.21 0.00 0.00 174.62 172.27 1gju s PHE 320 N -3.59 3.48 0.06 9.09 0.40 -1.26 -2.28 117.98 123.89 1gju s PHE 320 Ca 0.35 0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.69 1gju s PHE 320 Cb 0.05 -1.69 -0.06 0.00 0.51 0.00 0.00 43.02 41.84 1gju s PHE 320 CO 0.16 0.49 0.44 -0.51 0.70 0.00 0.00 175.22 176.50 1gju s LEU 321 N -3.32 4.40 -0.91 -0.37 1.43 -1.07 -4.43 118.68 114.42 1gju s LEU 321 Ca 0.35 0.94 -0.24 0.00 -1.03 0.00 0.00 54.13 54.15 1gju s LEU 321 Cb -0.11 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.24 1gju s LEU 321 CO 0.29 0.22 1.58 -0.60 0.23 0.00 0.00 176.35 178.07 1gju s ARG 322 N -1.58 3.19 0.38 1.70 3.52 0.21 -4.85 118.95 121.53 1gju s ARG 322 Ca 0.30 -0.63 0.16 0.00 -0.13 0.00 0.00 55.73 55.43 1gju s ARG 322 Cb -0.15 -5.02 0.77 0.00 -1.56 0.00 0.00 34.95 28.99 1gju s ARG 322 CO 0.17 -2.53 1.81 -0.07 -0.81 0.00 0.00 175.30 173.86 1gju h LEU 323 N 14.40 0.00 -8.42 -0.88 3.38 -1.94 -3.44 115.31 118.41 1gju h LEU 323 Ca 0.06 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.51 1gju h LEU 323 Cb 1.03 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.52 1gju h LEU 323 CO 1.33 0.37 -0.82 -0.31 0.09 0.00 0.00 178.44 179.10 1gju s TYR 324 N -3.95 1.54 0.22 1.13 1.51 -1.26 -2.15 117.35 114.39 1gju s TYR 324 Ca -0.02 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1gju s TYR 324 Cb 0.13 -0.93 0.21 0.00 -0.11 0.00 0.00 41.96 41.26 1gju s TYR 324 CO 0.70 0.05 1.53 -0.07 -1.11 0.00 0.00 175.55 176.65 1gju h LEU 325 N 5.04 0.32-10.49 -1.29 3.38 -1.59 -3.45 115.31 107.22 1gju h LEU 325 Ca -0.40 -0.19 -0.45 0.00 0.09 0.00 0.00 57.88 56.93 1gju h LEU 325 Cb 1.17 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.84 1gju h LEU 325 CO 0.45 0.86 -0.21 1.51 0.09 0.00 0.00 178.44 181.14 1gju s ASP 326 N -6.91 5.39 0.64 -0.43 3.84 -1.26 -5.05 116.67 112.90 1gju s ASP 326 Ca -0.04 -0.62 -0.09 0.00 -0.00 0.00 0.00 52.55 51.80 1gju s ASP 326 Cb 0.12 -0.28 0.00 0.00 -1.38 0.00 0.00 42.92 41.38 1gju s ASP 326 CO 0.81 -0.97 1.00 -1.00 -0.00 0.00 0.00 175.17 175.01 1gju s HIS 327 N -2.48 3.35 0.14 2.11 3.76 -1.26 -4.76 115.29 116.15 1gju s HIS 327 Ca 0.56 0.92 -0.34 0.00 -0.15 0.00 0.00 55.06 56.06 1gju s HIS 327 Cb -0.08 -2.87 -0.14 0.00 1.11 0.00 0.00 32.58 30.61 1gju s HIS 327 CO 0.34 -0.94 1.60 -0.35 -0.85 0.00 0.00 174.74 174.55 1gju n PRO 328 N -2.78 2.17 -0.07 8.40 -0.04 -1.26 -4.37 135.00 137.06 1gju n PRO 328 Ca 0.06 0.79 -0.12 0.00 -0.04 0.00 0.00 63.50 64.18 1gju n PRO 328 Cb 0.57 -2.56 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 1gju n PRO 328 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1gju h GLU 329 N 6.19 -0.43 0.00 0.54 4.57 -1.67 -1.76 114.58 122.02 1gju h GLU 329 Ca -0.45 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1gju h GLU 329 Cb 1.25 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1gju h GLU 329 CO 0.89 -0.29 0.00 0.00 -1.18 0.00 0.00 179.01 178.44 1gju n ALA 330 N -3.02 1.45 -0.25 2.92 0.00 -1.26 -2.27 120.51 118.07 1gju n ALA 330 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1gju n ALA 330 Cb 0.36 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1gju n ALA 330 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gju n SER 331 N -1.07 0.93 -0.11 0.00 7.64 -0.68 -4.77 113.62 115.56 1gju n SER 331 Ca 0.00 -1.18 -0.03 0.00 1.01 0.00 0.00 58.87 58.67 1gju n SER 331 Cb 0.00 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.40 1gju n SER 331 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1gju h LYS 332 N 0.00 0.79 -0.02 1.43 1.57 -1.28 -2.88 116.57 116.18 1gju h LYS 332 Ca 0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1gju h LYS 332 Cb 0.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1gju h LYS 332 CO 0.00 0.73 0.00 2.89 -0.57 0.00 0.00 179.45 182.50 1gju n ARG 333 N -4.27 0.54 0.00 3.15 1.85 -1.26 -2.09 116.66 114.57 1gju n ARG 333 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1gju n ARG 333 Cb 0.24 -1.01 -0.00 0.00 -1.05 0.00 0.00 32.46 30.64 1gju n ARG 333 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1gju n PHE 334 N -0.48 0.00 -3.39 2.89 0.99 -1.09 -5.06 117.46 111.33 1gju n PHE 334 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.20 1gju n PHE 334 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.47 1gju n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1gju s LEU 335 N -1.60 4.03 0.17 4.37 1.43 -0.89 -5.03 118.68 121.17 1gju s LEU 335 Ca 0.00 0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 53.43 1gju s LEU 335 Cb 0.00 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 1gju s LEU 335 CO 0.02 -0.26 0.62 -1.81 0.23 0.00 0.00 176.35 175.14 1gju s ASP 336 N -3.83 6.94 0.58 2.29 1.01 -1.26 -5.02 116.67 117.38 1gju s ASP 336 Ca 0.41 1.23 -0.19 0.00 0.71 0.00 0.00 52.55 54.70 1gju s ASP 336 Cb -0.10 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1gju s ASP 336 CO 0.35 0.09 1.04 -2.65 0.21 0.00 0.00 175.17 174.20 1gju n PRO 337 N 0.84 1.04 -1.13 8.23 -0.02 -1.26 -2.25 135.00 140.45 1gju n PRO 337 Ca -0.04 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 61.79 1gju n PRO 337 Cb 0.51 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 1gju n PRO 337 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1gju n ASN 338 N -0.77 -3.92 -4.64 2.55 3.02 -1.26 -4.99 115.26 105.25 1gju n ASN 338 Ca 0.13 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 1gju n ASN 338 Cb 0.46 -1.81 -0.03 0.00 -0.61 0.00 0.00 39.78 37.80 1gju n ASN 338 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1gju s GLN 339 N -1.86 3.93 1.11 3.52 2.00 -0.95 -4.99 119.66 122.41 1gju s GLN 339 Ca 0.00 1.89 -0.12 0.00 -2.00 0.00 0.00 55.36 55.13 1gju s GLN 339 Cb 0.00 -4.02 0.25 0.00 0.80 0.00 0.00 33.01 30.04 1gju s GLN 339 CO 0.00 -1.14 1.05 -2.14 -0.50 0.00 0.00 175.29 172.56 1gju s PRO 340 N 4.47 -0.48 0.21 1.67 0.02 -1.26 -4.90 135.00 134.73 1gju s PRO 340 Ca 0.73 0.85 -0.31 0.00 0.02 0.00 0.00 61.00 62.30 1gju s PRO 340 Cb -0.29 -1.60 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 1gju s PRO 340 CO 0.29 -3.43 1.48 -2.14 -0.33 0.00 0.00 177.00 172.87 1gju s PRO 341 N -4.57 4.25 0.09 5.54 0.02 -1.26 -4.98 135.00 134.08 1gju s PRO 341 Ca 0.68 2.31 0.03 0.00 0.02 0.00 0.00 61.00 64.03 1gju s PRO 341 Cb -0.23 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 1gju s PRO 341 CO 0.63 -0.49 -0.08 1.52 -0.33 0.00 0.00 177.00 178.24 1gju s TYR 342 N 0.49 0.92 -0.21 6.54 -0.85 -1.26 -4.60 117.35 118.38 1gju s TYR 342 Ca 0.64 -0.73 -0.10 0.00 -0.52 0.00 0.00 57.07 56.35 1gju s TYR 342 Cb -0.42 -0.52 -0.05 0.00 0.38 0.00 0.00 41.96 41.35 1gju s TYR 342 CO 0.38 -0.08 0.14 0.08 -1.52 0.00 0.00 175.55 174.55 1gju s VAL 343 N -2.75 5.39 0.26 -3.49 1.01 -1.26 -4.91 120.40 114.66 1gju s VAL 343 Ca 0.05 0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 1gju s VAL 343 Cb -0.01 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1gju s VAL 343 CO -0.02 0.41 0.55 -0.22 0.00 0.00 0.00 175.10 175.82 1gju s LEU 344 N 0.58 0.18 0.30 3.92 2.96 -1.26 -5.01 118.68 120.36 1gju s LEU 344 Ca 0.08 -0.87 0.04 0.00 -0.22 0.00 0.00 54.13 53.15 1gju s LEU 344 Cb -0.12 2.04 0.78 0.00 0.50 0.00 0.00 46.19 49.39 1gju s LEU 344 CO 0.00 -1.22 1.62 1.88 -1.32 0.00 0.00 176.35 177.31 1gju h TYR 345 N 2.17 0.30 -0.12 5.38 -1.99 -1.89 -1.68 116.97 119.14 1gju h TYR 345 Ca -0.24 0.05 -0.22 0.00 2.00 0.00 0.00 58.73 60.32 1gju h TYR 345 Cb 1.25 0.01 0.01 0.00 2.00 0.00 0.00 36.73 40.00 1gju h TYR 345 CO 0.48 -0.29 -0.78 0.38 -0.00 0.00 0.00 178.16 177.95 1gju h ASP 346 N 0.14 0.81 -0.46 3.88 2.03 -1.93 -2.86 116.42 118.03 1gju h ASP 346 Ca 0.59 -0.54 -0.02 0.00 -0.73 0.00 0.00 57.03 56.33 1gju h ASP 346 Cb 1.24 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 39.48 1gju h ASP 346 CO -0.73 1.32 0.23 0.58 -1.03 0.00 0.00 179.24 179.62 1gju h VAL 347 N 0.46 1.17 -0.27 4.15 2.07 -1.60 -2.84 116.25 119.39 1gju h VAL 347 Ca -0.05 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 1gju h VAL 347 Cb 1.40 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1gju h VAL 347 CO 0.15 0.20 -0.22 0.40 0.02 0.00 0.00 177.57 178.12 1gju h ILE 348 N 0.70 1.31 -1.28 4.57 2.04 -1.31 -3.28 117.51 120.25 1gju h ILE 348 Ca 0.17 -1.36 -0.75 0.00 1.00 0.00 0.00 64.86 63.92 1gju h ILE 348 Cb 0.08 1.60 -0.14 0.00 -0.74 0.00 0.00 36.82 37.62 1gju h ILE 348 CO -0.02 0.43 2.19 1.17 0.00 0.00 0.00 178.15 181.91 1gju n LYS 349 N -4.36 3.95 0.14 2.37 4.81 -1.07 -4.73 118.16 119.26 1gju n LYS 349 Ca -0.04 -3.48 0.19 0.00 -0.87 0.00 0.00 58.31 54.11 1gju n LYS 349 Cb 0.42 -2.82 0.73 0.00 0.02 0.00 0.00 35.03 33.38 1gju n LYS 349 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gju h ALA 350 N 5.35 1.97 0.00 3.14 0.00 -1.56 0.23 119.26 128.39 1gju h ALA 350 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1gju h ALA 350 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1gju h ALA 350 CO 1.58 -0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.85 1gju h SER 351 N 0.00 0.00 0.00 0.00 4.64 -1.61 -3.26 113.55 113.31 1gju h SER 351 Ca 0.16 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1gju h SER 351 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1gju h SER 351 CO -0.00 0.00 -1.27 0.29 -0.87 0.00 0.00 176.83 174.97 1gju n LYS 352 N -2.79 3.10 -3.62 4.77 4.76 0.75 -4.85 118.16 120.29 1gju n LYS 352 Ca 0.00 -0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 1gju n LYS 352 Cb 0.21 -1.10 -0.11 0.00 -1.84 0.00 0.00 35.03 32.19 1gju n LYS 352 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1gju s PHE 353 N -2.11 2.08 0.27 2.13 0.40 -0.94 -5.07 117.98 114.74 1gju s PHE 353 Ca -0.02 -2.68 -0.03 0.00 -0.60 0.00 0.00 56.93 53.60 1gju s PHE 353 Cb 0.01 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.81 1gju s PHE 353 CO 0.17 -0.72 0.51 -1.25 0.70 0.00 0.00 175.22 174.62 1gju s PRO 354 N -0.41 3.59 0.08 0.24 0.04 -1.23 -4.53 135.00 132.78 1gju s PRO 354 Ca 0.27 -0.12 -0.00 0.00 0.04 0.00 0.00 61.00 61.19 1gju s PRO 354 Cb -0.04 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.82 1gju s PRO 354 CO -0.15 0.26 0.12 0.41 0.04 0.00 0.00 177.00 177.67 1gju n GLY 355 N -0.93 0.63 0.92 0.56 0.00 -1.26 -1.85 105.19 103.26 1gju n GLY 355 Ca -0.03 -1.95 0.11 0.00 0.00 0.00 0.00 46.02 44.16 1gju n GLY 355 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gju n LYS 356 N -1.22 2.13 -3.83 1.61 2.85 -1.26 -4.78 118.16 113.67 1gju n LYS 356 Ca 0.02 -1.88 -0.30 0.00 -1.05 0.00 0.00 58.31 55.10 1gju n LYS 356 Cb 0.07 -1.43 -0.14 0.00 -0.65 0.00 0.00 35.03 32.87 1gju n LYS 356 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1gju s GLU 357 N -1.80 1.42 0.28 -1.58 2.02 -1.26 -5.08 118.70 112.70 1gju s GLU 357 Ca 0.27 -2.02 -0.30 0.00 0.02 0.00 0.00 54.97 52.95 1gju s GLU 357 Cb 0.19 -2.69 -0.11 0.00 0.10 0.00 0.00 34.13 31.62 1gju s GLU 357 CO 0.28 -1.09 1.51 -2.14 0.02 0.00 0.00 175.26 173.84 1gju s PRO 358 N 0.44 4.19 -1.24 0.39 0.02 -1.26 -1.59 135.00 135.95 1gju s PRO 358 Ca 0.15 2.45 -0.19 0.00 0.02 0.00 0.00 61.00 63.43 1gju s PRO 358 Cb -0.23 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.23 1gju s PRO 358 CO -0.05 -0.52 1.91 -1.71 -0.33 0.00 0.00 177.00 176.30 1gju n ASN 359 N 2.05 3.97 -0.31 2.53 4.05 -0.91 -4.77 115.26 121.88 1gju n ASN 359 Ca 0.07 -2.82 0.16 0.00 0.45 0.00 0.00 54.58 52.44 1gju n ASN 359 Cb 0.39 -1.65 0.34 0.00 1.23 0.00 0.00 39.78 40.09 1gju n ASN 359 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 1gju h ARG 360 N 7.82 0.25 -0.46 1.20 2.47 -1.88 -0.86 114.38 122.92 1gju h ARG 360 Ca 0.41 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 59.07 1gju h ARG 360 Cb 0.82 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 1gju h ARG 360 CO 1.55 0.17 0.07 1.49 0.56 0.00 0.00 179.97 183.80 1gju h GLU 361 N 0.26 0.71 -0.11 0.04 4.81 -2.00 -2.18 114.58 116.11 1gju h GLU 361 Ca 0.60 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.53 1gju h GLU 361 Cb 1.25 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1gju h GLU 361 CO -0.63 0.68 -0.52 1.25 -0.73 0.00 0.00 179.01 179.06 1gju h LEU 362 N 0.68 0.66 -0.93 1.64 5.85 -1.58 -3.00 115.31 118.63 1gju h LEU 362 Ca 0.15 -0.63 0.10 0.00 0.84 0.00 0.00 57.88 58.33 1gju h LEU 362 Cb 0.32 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 1gju h LEU 362 CO 0.01 1.18 0.56 -0.50 -0.34 0.00 0.00 178.44 179.35 1gju h TRP 363 N 0.17 1.03 -0.38 1.25 4.06 -1.25 0.76 115.95 121.59 1gju h TRP 363 Ca -0.03 0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 1gju h TRP 363 Cb 1.16 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.99 1gju h TRP 363 CO 0.11 0.43 -0.32 1.05 -3.56 0.00 0.00 178.44 176.15 1gju h GLU 364 N 0.93 0.88 0.01 0.49 -0.00 -1.43 -1.28 114.58 114.18 1gju h GLU 364 Ca 0.44 -0.44 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1gju h GLU 364 Cb 0.39 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.15 1gju h GLU 364 CO -0.24 1.09 -0.01 -0.92 -0.00 0.00 0.00 179.01 178.93 1gju h TYR 365 N 0.68 -0.01 -0.61 2.06 5.03 -1.22 -2.50 116.97 120.40 1gju h TYR 365 Ca 0.07 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.42 1gju h TYR 365 Cb 0.90 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.14 1gju h TYR 365 CO 0.06 0.00 0.34 -0.07 -1.32 0.00 0.00 178.16 177.18 1gju h LEU 366 N -0.03 0.52 0.00 2.82 3.38 -0.80 -1.52 115.31 119.69 1gju h LEU 366 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gju h LEU 366 Cb 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1gju h LEU 366 CO 0.00 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.88 1gju n ALA 367 N -2.33 2.12 -0.10 1.53 0.00 -0.49 -2.66 120.51 118.58 1gju n ALA 367 Ca 0.07 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1gju n ALA 367 Cb 0.14 -1.29 0.09 0.00 0.00 0.00 0.00 19.45 18.38 1gju n ALA 367 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gju n GLY 368 N 0.15 2.83 0.10 0.00 0.00 -0.58 -4.67 105.19 103.02 1gju n GLY 368 Ca 0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1gju n GLY 368 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gju h VAL 369 N 1.15 1.58 0.17 1.61 2.07 -1.48 -2.90 116.25 118.45 1gju h VAL 369 Ca 0.00 -2.28 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 1gju h VAL 369 Cb 0.63 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1gju h VAL 369 CO 0.00 0.63 -0.08 0.40 0.02 0.00 0.00 177.57 178.54 1gju h ILE 370 N -0.53 0.92 -1.00 4.57 2.04 -1.84 -2.78 117.51 118.89 1gju h ILE 370 Ca -0.07 -0.49 0.22 0.00 1.00 0.00 0.00 64.86 65.52 1gju h ILE 370 Cb 1.28 1.22 -0.10 0.00 -0.74 0.00 0.00 36.82 38.48 1gju h ILE 370 CO 0.08 0.11 0.62 -0.65 0.00 0.00 0.00 178.15 178.32 1gju h PRO 371 N -0.47 0.60 -0.84 2.37 0.11 -1.83 0.70 132.00 132.63 1gju h PRO 371 Ca -0.02 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.16 1gju h PRO 371 Cb 0.36 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.28 1gju h PRO 371 CO 0.04 0.39 0.55 1.25 -0.21 0.00 0.00 178.00 180.02 1gju h HIS 372 N 0.61 0.82 0.18 0.65 -0.00 -1.27 -0.63 115.15 115.51 1gju h HIS 372 Ca 0.58 0.02 -0.30 0.00 -0.00 0.00 0.00 60.37 60.67 1gju h HIS 372 Cb 1.11 -0.26 0.02 0.00 -0.00 0.00 0.00 27.41 28.28 1gju h HIS 372 CO -0.00 0.35 -1.35 1.88 -0.00 0.00 0.00 177.93 178.81 1gju h TYR 373 N 0.74 0.71 0.77 5.26 0.05 0.45 -1.93 116.97 123.02 1gju h TYR 373 Ca 0.40 -0.52 -0.04 0.00 0.05 0.00 0.00 58.73 58.63 1gju h TYR 373 Cb 0.54 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1gju h TYR 373 CO -0.00 1.41 -0.41 1.96 -1.05 0.00 0.00 178.16 180.06 1gju h GLN 374 N 0.11 -1.05 -0.76 4.88 4.20 -0.48 -1.00 115.11 121.01 1gju h GLN 374 Ca -0.19 0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 1gju h GLN 374 Cb 2.06 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 30.05 1gju h GLN 374 CO 0.24 -0.70 0.24 0.87 -0.67 0.00 0.00 178.83 178.81 1gju h LYS 375 N -1.09 1.17 0.06 1.46 1.57 -1.25 0.43 116.57 118.92 1gju h LYS 375 Ca -0.10 -0.25 -0.25 0.00 -1.87 0.00 0.00 60.65 58.18 1gju h LYS 375 Cb 0.86 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1gju h LYS 375 CO 0.15 0.99 -1.08 -0.22 -0.57 0.00 0.00 179.45 178.72 1gju h LYS 376 N 1.13 0.33 0.00 3.15 3.64 -1.36 -3.40 116.57 120.05 1gju h LYS 376 Ca 0.25 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1gju h LYS 376 Cb 0.30 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1gju h LYS 376 CO -0.01 1.15 -0.60 0.66 -2.27 0.00 0.00 179.45 178.38 1gju n TYR 377 N -3.64 0.00 -2.17 1.91 4.02 -0.41 -5.02 117.16 111.86 1gju n TYR 377 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1gju n TYR 377 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.24 1gju n TYR 377 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1gju n GLY 378 N 1.76 0.80 3.76 2.72 0.00 0.15 -4.50 105.19 109.88 1gju n GLY 378 Ca 0.00 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1gju n GLY 378 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gju s ILE 379 N -2.61 2.96 -0.82 -0.61 -4.36 -1.24 -3.19 121.20 111.33 1gju s ILE 379 Ca 0.00 0.47 0.22 0.00 -0.26 0.00 0.00 60.65 61.08 1gju s ILE 379 Cb 0.00 -3.02 -0.22 0.00 1.25 0.00 0.00 42.46 40.47 1gju s ILE 379 CO 0.00 -0.25 0.87 0.47 0.24 0.00 0.00 174.94 176.27 1gju n ASP 380 N -2.35 0.78 -3.68 4.36 9.92 -0.22 -4.68 116.55 120.68 1gju n ASP 380 Ca 0.11 -0.74 0.02 0.00 -0.53 0.00 0.00 54.79 53.65 1gju n ASP 380 Cb 0.51 1.10 0.00 0.00 -0.64 0.00 0.00 41.12 42.09 1gju n ASP 380 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1gju s GLY 381 N -3.29 -0.26 0.03 0.44 0.00 -1.04 -2.95 107.32 100.24 1gju s GLY 381 Ca 0.05 0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.87 1gju s GLY 381 CO 0.86 2.49 0.58 0.00 0.00 0.00 0.00 173.10 177.03 1gju s ALA 382 N -2.25 -1.51 -0.17 3.20 0.00 -0.16 -1.73 121.76 119.14 1gju s ALA 382 Ca 0.21 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 1gju s ALA 382 Cb 0.02 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1gju s ALA 382 CO -0.02 -0.50 0.02 0.50 0.00 0.00 0.00 175.76 175.76 1gju s ARG 383 N -2.22 3.84 -0.30 0.00 3.52 0.29 -0.17 118.95 123.91 1gju s ARG 383 Ca -0.06 -0.42 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 1gju s ARG 383 Cb -0.01 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1gju s ARG 383 CO 0.00 0.24 0.17 -1.17 -0.81 0.00 0.00 175.30 173.74 1gju s LEU 384 N 0.41 4.10 -0.00 -0.88 0.20 -0.49 -1.83 118.68 120.19 1gju s LEU 384 Ca 0.00 -0.33 -0.13 0.00 0.69 0.00 0.00 54.13 54.36 1gju s LEU 384 Cb -0.13 -2.05 -0.05 0.00 -0.43 0.00 0.00 46.19 43.52 1gju s LEU 384 CO 0.01 -0.15 0.37 -1.81 -0.29 0.00 0.00 176.35 174.49 1gju s ASP 385 N 1.68 6.73 -0.95 3.68 -0.00 0.06 -3.23 116.67 124.64 1gju s ASP 385 Ca 0.06 0.87 0.00 0.00 -0.00 0.00 0.00 52.55 53.48 1gju s ASP 385 Cb -0.17 -2.21 0.00 0.00 -0.00 0.00 0.00 42.92 40.54 1gju s ASP 385 CO 0.08 0.31 0.00 0.80 -0.00 0.00 0.00 175.17 176.36 1gju n MET 386 N 1.68 -0.78 0.32 8.23 1.56 -1.26 -4.11 117.12 122.75 1gju n MET 386 Ca -0.14 0.62 0.19 0.00 -0.27 0.00 0.00 57.70 58.10 1gju n MET 386 Cb 0.53 -4.64 0.98 0.00 2.15 0.00 0.00 33.22 32.24 1gju n MET 386 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1gju h GLY 387 N 0.00 0.00 1.19 -5.12 0.00 -1.90 -2.08 103.07 95.16 1gju h GLY 387 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.18 1gju h GLY 387 CO 0.29 0.00 0.34 0.45 0.00 0.00 0.00 176.54 177.63 1gju h HIS 388 N 0.00 0.35 0.00 5.60 3.86 -1.93 -2.85 115.15 120.19 1gju h HIS 388 Ca 0.01 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1gju h HIS 388 Cb 0.38 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1gju h HIS 388 CO 0.00 0.18 -0.48 0.00 0.86 0.00 0.00 177.93 178.49 1gju h ALA 389 N 1.74 0.72 -2.65 2.45 0.00 -1.68 -3.41 119.26 116.43 1gju h ALA 389 Ca 0.23 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.63 1gju h ALA 389 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1gju h ALA 389 CO -0.06 0.00 0.43 -0.51 0.00 0.00 0.00 179.25 179.11 1gju s LEU 390 N -4.98 4.52 0.44 0.00 1.43 -1.08 -2.12 118.68 116.89 1gju s LEU 390 Ca 0.05 2.00 -0.25 0.00 -1.03 0.00 0.00 54.13 54.90 1gju s LEU 390 Cb 0.10 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 1gju s LEU 390 CO 0.71 -0.12 1.39 -2.84 0.23 0.00 0.00 176.35 175.72 1gju s PRO 391 N -0.42 3.73 0.45 1.29 0.02 -1.26 -4.30 135.00 134.51 1gju s PRO 391 Ca 0.47 2.35 0.24 0.00 0.02 0.00 0.00 61.00 64.08 1gju s PRO 391 Cb -0.27 -2.66 1.24 0.00 0.02 0.00 0.00 34.50 32.83 1gju s PRO 391 CO 0.33 -0.75 1.81 -0.22 -0.33 0.00 0.00 177.00 177.84 1gju h LYS 392 N 2.38 0.25 -0.02 5.54 3.64 -1.91 -0.84 116.57 125.60 1gju h LYS 392 Ca -0.51 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 58.67 1gju h LYS 392 Cb 1.26 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1gju h LYS 392 CO 0.61 0.17 -0.80 1.49 -2.27 0.00 0.00 179.45 178.65 1gju h GLU 393 N 0.26 0.25 0.00 1.90 4.81 -1.99 -1.10 114.58 118.71 1gju h GLU 393 Ca 0.54 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 59.37 1gju h GLU 393 Cb 1.62 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 1gju h GLU 393 CO -0.17 0.92 -0.79 1.25 -0.73 0.00 0.00 179.01 179.49 1gju h LEU 394 N 0.15 0.00 0.08 1.64 5.85 -1.53 -2.55 115.31 118.96 1gju h LEU 394 Ca -0.04 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 1gju h LEU 394 Cb 1.39 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.44 1gju h LEU 394 CO 0.12 0.79 -0.85 0.25 -0.34 0.00 0.00 178.44 178.41 1gju h LEU 395 N 0.00 0.61 -1.41 2.25 7.12 -1.41 -2.16 115.31 120.30 1gju h LEU 395 Ca -0.01 -0.84 0.06 0.00 0.13 0.00 0.00 57.88 57.22 1gju h LEU 395 Cb 1.40 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 41.30 1gju h LEU 395 CO 0.10 1.38 0.46 0.44 -0.13 0.00 0.00 178.44 180.69 1gju h ASP 396 N -0.08 0.63 -0.14 1.25 3.45 -1.22 -1.67 116.42 118.63 1gju h ASP 396 Ca -0.13 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.23 1gju h ASP 396 Cb 1.58 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.22 1gju h ASP 396 CO 0.16 0.41 -0.33 0.25 -1.57 0.00 0.00 179.24 178.16 1gju h LEU 397 N 0.72 0.54 -1.42 1.55 5.85 -1.46 -2.02 115.31 119.07 1gju h LEU 397 Ca 0.30 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1gju h LEU 397 Cb 0.25 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1gju h LEU 397 CO -0.09 1.01 0.43 0.40 -0.34 0.00 0.00 178.44 179.85 1gju h ILE 398 N 0.09 1.08 0.23 4.05 2.04 -0.66 -2.38 117.51 121.97 1gju h ILE 398 Ca -0.00 -0.26 -0.32 0.00 1.00 0.00 0.00 64.86 65.28 1gju h ILE 398 Cb 0.93 0.26 0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1gju h ILE 398 CO 0.07 0.14 -1.38 0.40 0.00 0.00 0.00 178.15 177.38 1gju h ILE 399 N 0.75 1.31 -0.63 -0.67 2.04 -1.36 -3.21 117.51 115.74 1gju h ILE 399 Ca 0.26 -2.66 0.04 0.00 1.00 0.00 0.00 64.86 63.50 1gju h ILE 399 Cb 0.10 3.05 -0.04 0.00 -0.74 0.00 0.00 36.82 39.19 1gju h ILE 399 CO -0.07 0.79 0.42 0.50 0.00 0.00 0.00 178.15 179.79 1gju h LYS 400 N 0.09 0.68 -0.07 2.37 3.64 -1.10 -1.46 116.57 120.72 1gju h LYS 400 Ca -0.24 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 58.94 1gju h LYS 400 Cb 2.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 1gju h LYS 400 CO 0.26 0.45 -0.64 -0.91 -2.27 0.00 0.00 179.45 176.34 1gju h ASN 401 N 0.70 0.30 0.33 4.20 4.21 -1.51 -0.86 115.58 122.96 1gju h ASN 401 Ca 0.26 -0.18 -0.33 0.00 1.21 0.00 0.00 56.30 57.26 1gju h ASN 401 Cb 0.15 -0.09 0.03 0.00 -1.12 0.00 0.00 38.32 37.29 1gju h ASN 401 CO -0.07 0.86 -1.48 -0.37 -1.29 0.00 0.00 177.43 175.08 1gju h VAL 402 N 0.19 1.26 0.00 2.81 -1.51 -1.46 -3.25 116.25 114.29 1gju h VAL 402 Ca -0.01 -2.75 -0.07 0.00 -1.23 0.00 0.00 66.70 62.64 1gju h VAL 402 Cb 1.17 2.97 -0.01 0.00 -2.13 0.00 0.00 31.29 33.29 1gju h VAL 402 CO 0.10 0.83 -0.33 0.11 -1.23 0.00 0.00 177.57 177.05 1gju h LYS 403 N 0.13 0.00 -0.38 5.19 1.79 -1.32 -1.76 116.57 120.22 1gju h LYS 403 Ca -0.25 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.13 1gju h LYS 403 Cb 2.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.76 1gju h LYS 403 CO 0.24 0.33 -0.11 1.49 -1.08 0.00 0.00 179.45 180.32 1gju h GLU 404 N 0.00 0.75 0.01 3.15 4.81 -1.23 -2.77 114.58 119.30 1gju h GLU 404 Ca -0.00 -0.30 -0.24 0.00 -0.13 0.00 0.00 59.36 58.69 1gju h GLU 404 Cb 0.71 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.06 1gju h GLU 404 CO 0.04 0.90 -0.98 -0.92 -0.73 0.00 0.00 179.01 177.32 1gju h TYR 405 N 0.55 0.72 -2.26 0.92 3.20 -1.54 -3.43 116.97 115.13 1gju h TYR 405 Ca 0.09 -0.40 -0.35 0.00 3.14 0.00 0.00 58.73 61.22 1gju h TYR 405 Cb 0.64 -0.08 -0.34 0.00 1.54 0.00 0.00 36.73 38.48 1gju h TYR 405 CO 0.05 1.22 -0.65 0.34 -1.64 0.00 0.00 178.16 177.48 1gju s ASP 406 N -7.14 1.83 0.00 -2.11 3.68 -0.68 -5.01 116.67 107.24 1gju s ASP 406 Ca -0.07 -0.74 0.12 0.00 2.13 0.00 0.00 52.55 53.99 1gju s ASP 406 Cb 0.08 0.41 0.59 0.00 -1.45 0.00 0.00 42.92 42.55 1gju s ASP 406 CO 0.88 -0.39 1.27 -0.81 0.13 0.00 0.00 175.17 176.26 1gju n PRO 407 N 5.31 0.17 0.00 4.34 -0.04 -1.05 -2.13 135.00 141.59 1gju n PRO 407 Ca -0.03 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1gju n PRO 407 Cb 0.46 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.48 1gju n PRO 407 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gju n ALA 408 N -1.28 3.65 -1.70 0.55 0.00 -1.26 -4.10 120.51 116.37 1gju n ALA 408 Ca 0.06 -0.58 -0.44 0.00 0.00 0.00 0.00 53.44 52.48 1gju n ALA 408 Cb 0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1gju n ALA 408 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1gju n PHE 409 N -0.40 2.36 -3.69 0.00 -0.00 -0.91 -4.04 117.46 110.78 1gju n PHE 409 Ca 0.09 0.41 -0.37 0.00 -0.00 0.00 0.00 57.45 57.58 1gju n PHE 409 Cb 0.42 -2.49 -0.12 0.00 -0.00 0.00 0.00 39.48 37.30 1gju n PHE 409 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1gju s VAL 410 N -0.26 4.80 -0.26 -2.13 1.01 -1.15 -4.77 120.40 117.64 1gju s VAL 410 Ca 0.64 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 1gju s VAL 410 Cb -0.59 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1gju s VAL 410 CO 0.52 0.31 0.17 -0.04 0.00 0.00 0.00 175.10 176.05 1gju s MET 411 N 1.60 3.98 -0.22 2.72 -1.94 -1.26 -0.99 119.30 123.18 1gju s MET 411 Ca 0.07 -0.31 -0.07 0.00 -1.71 0.00 0.00 55.69 53.66 1gju s MET 411 Cb -0.15 -3.58 -0.03 0.00 2.01 0.00 0.00 34.83 33.08 1gju s MET 411 CO 0.07 -0.08 0.07 0.42 -0.01 0.00 0.00 175.02 175.49 1gju s ILE 412 N 1.44 4.51 0.10 2.53 1.01 0.77 -1.03 121.20 130.53 1gju s ILE 412 Ca 0.07 -0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 1gju s ILE 412 Cb -0.15 -3.08 -0.06 0.00 0.01 0.00 0.00 42.46 39.18 1gju s ILE 412 CO 0.08 0.38 0.84 0.00 0.00 0.00 0.00 174.94 176.24 1gju s ALA 413 N 1.15 3.34 -1.39 9.38 0.00 0.02 -1.39 121.76 132.88 1gju s ALA 413 Ca 0.04 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1gju s ALA 413 Cb -0.14 -3.09 0.09 0.00 0.00 0.00 0.00 23.12 19.98 1gju s ALA 413 CO 0.03 0.09 2.14 -1.91 0.00 0.00 0.00 175.76 176.11 1gju n GLU 414 N 2.49 3.34 -4.01 0.00 2.13 -1.20 -2.19 120.64 121.20 1gju n GLU 414 Ca -0.02 -3.02 -0.33 0.00 0.66 0.00 0.00 57.16 54.46 1gju n GLU 414 Cb 0.49 -3.06 -0.14 0.00 0.27 0.00 0.00 31.44 29.00 1gju n GLU 414 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1gju s GLU 415 N 1.67 2.28 0.35 5.31 2.56 -1.26 -4.80 118.70 124.81 1gju s GLU 415 Ca 0.46 -1.34 0.23 0.00 0.00 0.00 0.00 54.97 54.31 1gju s GLU 415 Cb 0.13 -3.01 0.25 0.00 2.00 0.00 0.00 34.13 33.50 1gju s GLU 415 CO -0.05 -0.61 1.44 -0.07 -0.56 0.00 0.00 175.26 175.41 1gju h LEU 416 N 7.85 0.00 -8.61 2.70 3.38 -1.90 0.29 115.31 119.03 1gju h LEU 416 Ca -0.19 -0.01 -0.64 0.00 0.09 0.00 0.00 57.88 57.13 1gju h LEU 416 Cb 1.05 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 1gju h LEU 416 CO 0.49 0.00 0.21 -0.62 0.09 0.00 0.00 178.44 178.61 1gju s ASP 417 N -5.85 6.36 0.00 -0.43 2.15 -1.26 -3.22 116.67 114.42 1gju s ASP 417 Ca 0.05 -0.24 0.08 0.00 0.43 0.00 0.00 52.55 52.87 1gju s ASP 417 Cb 0.07 -2.34 0.41 0.00 -0.30 0.00 0.00 42.92 40.75 1gju s ASP 417 CO 0.70 -0.82 1.17 0.23 -0.17 0.00 0.00 175.17 176.29 1gju n MET 418 N 6.41 0.09 0.02 4.34 2.81 -1.26 -0.90 117.12 128.62 1gju n MET 418 Ca -0.00 0.25 0.12 0.00 -1.81 0.00 0.00 57.70 56.25 1gju n MET 418 Cb 0.48 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.72 1gju n MET 418 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1gju n GLU 419 N -1.34 0.09 -0.56 0.03 1.02 -1.26 -3.72 120.64 114.90 1gju n GLU 419 Ca 0.03 0.02 0.03 0.00 -0.02 0.00 0.00 57.16 57.23 1gju n GLU 419 Cb 0.07 -1.55 0.24 0.00 -0.02 0.00 0.00 31.44 30.18 1gju n GLU 419 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1gju n LYS 420 N -1.67 3.28 0.01 3.49 5.02 -0.08 -4.37 118.16 123.83 1gju n LYS 420 Ca 0.05 -1.90 -0.12 0.00 -2.02 0.00 0.00 58.31 54.32 1gju n LYS 420 Cb 0.37 -1.95 -0.07 0.00 -0.02 0.00 0.00 35.03 33.35 1gju n LYS 420 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1gju h ASP 421 N 2.31 0.04 -0.98 4.39 2.03 -1.73 -1.88 116.42 120.61 1gju h ASP 421 Ca 0.02 -0.16 0.10 0.00 -0.73 0.00 0.00 57.03 56.26 1gju h ASP 421 Cb 1.44 -0.01 -0.07 0.00 -0.83 0.00 0.00 39.33 39.85 1gju h ASP 421 CO 0.32 0.19 0.63 0.11 -1.03 0.00 0.00 179.24 179.46 1gju h LYS 422 N -0.11 1.01 0.00 4.15 1.57 -1.90 -0.86 116.57 120.43 1gju h LYS 422 Ca 0.01 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1gju h LYS 422 Cb 0.16 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1gju h LYS 422 CO -0.00 0.67 -0.69 0.00 -0.57 0.00 0.00 179.45 178.86 1gju h ALA 423 N 1.52 0.65 -0.16 3.86 0.00 -1.84 -2.72 119.26 120.57 1gju h ALA 423 Ca 0.46 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1gju h ALA 423 Cb 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gju h ALA 423 CO -0.22 0.86 -0.62 0.77 0.00 0.00 0.00 179.25 180.05 1gju h SER 424 N 0.00 0.62 -0.09 0.00 0.02 -0.46 -2.24 113.55 111.40 1gju h SER 424 Ca -0.01 -0.36 -0.13 0.00 -0.84 0.00 0.00 61.79 60.46 1gju h SER 424 Cb 1.40 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1gju h SER 424 CO 0.09 1.09 -0.36 0.50 -1.14 0.00 0.00 176.83 177.01 1gju h LYS 425 N 0.40 0.59 0.00 3.45 3.64 -1.20 -1.88 116.57 121.57 1gju h LYS 425 Ca -0.01 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1gju h LYS 425 Cb 1.18 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1gju h LYS 425 CO 0.12 0.86 -0.37 0.93 -2.27 0.00 0.00 179.45 178.72 1gju h GLU 426 N 0.50 0.00 0.00 1.90 5.08 -1.32 -2.59 114.58 118.15 1gju h GLU 426 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1gju h GLU 426 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1gju h GLU 426 CO 0.07 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 1gju h ALA 427 N 1.63 1.00 0.00 3.43 0.00 -1.17 -3.47 119.26 120.68 1gju h ALA 427 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gju h ALA 427 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1gju h ALA 427 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1gju n GLY 428 N 1.19 1.29 3.91 0.00 0.00 -0.97 -4.83 105.19 105.77 1gju n GLY 428 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1gju n GLY 428 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gju s TYR 429 N -2.00 3.54 -0.14 1.61 1.51 -0.73 -4.90 117.35 116.24 1gju s TYR 429 Ca 0.00 0.76 0.10 0.00 -1.01 0.00 0.00 57.07 56.91 1gju s TYR 429 Cb 0.00 -2.28 -0.14 0.00 -0.11 0.00 0.00 41.96 39.43 1gju s TYR 429 CO 0.00 -0.26 0.27 -0.25 -1.11 0.00 0.00 175.55 174.20 1gju n ASP 430 N -2.23 2.08 -3.77 2.29 8.00 -0.20 -4.51 116.55 118.22 1gju n ASP 430 Ca 0.00 -0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.16 1gju n ASP 430 Cb 0.55 1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 42.87 1gju n ASP 430 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gju s VAL 431 N -2.45 0.02 0.19 2.53 1.01 -1.13 -4.22 120.40 116.36 1gju s VAL 431 Ca -0.01 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1gju s VAL 431 Cb 0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1gju s VAL 431 CO 0.40 -0.11 -0.04 0.27 0.00 0.00 0.00 175.10 175.62 1gju s ILE 432 N -0.44 3.46 -0.04 2.22 -4.36 -1.04 -0.80 121.20 120.20 1gju s ILE 432 Ca -0.06 -1.60 -0.24 0.00 -0.26 0.00 0.00 60.65 58.49 1gju s ILE 432 Cb -0.04 -2.75 -0.19 0.00 1.25 0.00 0.00 42.46 40.74 1gju s ILE 432 CO 0.02 -0.15 1.05 0.25 0.24 0.00 0.00 174.94 176.35 1gju h LEU 433 N 2.66 -0.10 0.00 0.37 5.85 -1.30 -3.11 115.31 119.68 1gju h LEU 433 Ca -0.46 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 57.83 1gju h LEU 433 Cb 1.21 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1gju h LEU 433 CO 0.57 0.47 -0.05 0.61 -0.34 0.00 0.00 178.44 179.69 1gju n GLY 434 N 0.49 -2.02 2.20 3.75 0.00 0.10 -3.81 105.19 105.90 1gju n GLY 434 Ca -0.08 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.55 1gju n GLY 434 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gju n SER 435 N -0.72 1.08 0.16 1.61 7.64 -1.20 -4.54 113.62 117.65 1gju n SER 435 Ca 0.00 -2.02 0.16 0.00 1.01 0.00 0.00 58.87 58.02 1gju n SER 435 Cb 0.07 -0.32 0.74 0.00 -1.01 0.00 0.00 64.21 63.69 1gju n SER 435 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1gju h SER 436 N 1.76 0.00 -0.09 6.43 4.64 -1.87 -2.02 113.55 122.40 1gju h SER 436 Ca -0.21 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1gju h SER 436 Cb 1.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1gju h SER 436 CO 0.11 0.00 0.09 4.11 -0.87 0.00 0.00 176.83 180.27 1gju h TRP 437 N 0.00 0.00 -0.07 4.77 5.08 -1.81 -0.60 115.95 123.32 1gju h TRP 437 Ca 0.12 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.02 1gju h TRP 437 Cb 0.52 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.68 1gju h TRP 437 CO 0.00 0.00 -0.23 -0.92 -1.28 0.00 0.00 178.44 176.01 1gju h TYR 438 N 0.00 0.36 -0.10 0.12 3.20 -1.69 -3.19 116.97 115.68 1gju h TYR 438 Ca 0.04 -0.15 -0.23 0.00 3.14 0.00 0.00 58.73 61.54 1gju h TYR 438 Cb 0.21 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.43 1gju h TYR 438 CO 0.00 0.85 -0.84 0.74 -1.64 0.00 0.00 178.16 177.27 1gju h PHE 439 N -0.23 0.93 -0.64 -3.82 -1.00 -1.65 -3.29 116.94 107.24 1gju h PHE 439 Ca -0.01 -0.44 0.13 0.00 2.81 0.00 0.00 57.97 60.47 1gju h PHE 439 Cb 0.86 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.25 1gju h PHE 439 CO 0.13 1.25 0.43 0.00 -1.61 0.00 0.00 178.31 178.51 1gju h ALA 440 N 0.62 2.20 -0.21 2.45 0.00 -1.21 -2.12 119.26 120.99 1gju h ALA 440 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1gju h ALA 440 Cb 1.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1gju h ALA 440 CO 0.16 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1gju n GLY 441 N -1.56 0.46 3.00 0.00 0.00 -1.20 -4.67 105.19 101.22 1gju n GLY 441 Ca 0.11 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1gju n GLY 441 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gju s ARG 442 N -1.73 2.02 0.41 1.61 0.52 -0.82 -4.51 118.95 116.45 1gju s ARG 442 Ca 0.32 -0.95 0.15 0.00 -0.52 0.00 0.00 55.73 54.72 1gju s ARG 442 Cb 0.17 -2.53 1.01 0.00 0.52 0.00 0.00 34.95 34.12 1gju s ARG 442 CO 0.25 -0.48 1.89 -0.39 0.02 0.00 0.00 175.30 176.59 1gju h VAL 443 N 6.49 0.76 0.00 3.52 -1.51 -1.87 0.24 116.25 123.88 1gju h VAL 443 Ca -0.25 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1gju h VAL 443 Cb 1.08 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1gju h VAL 443 CO 0.47 0.09 0.00 -1.84 -1.23 0.00 0.00 177.57 175.05 1gju n GLU 444 N -4.51 0.13 -0.02 5.19 0.00 -1.26 -4.01 120.64 116.17 1gju n GLU 444 Ca 0.17 0.19 0.01 0.00 0.00 0.00 0.00 57.16 57.53 1gju n GLU 444 Cb 0.58 -1.68 -0.05 0.00 0.00 0.00 0.00 31.44 30.28 1gju n GLU 444 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1gju n GLU 445 N -1.91 1.38 -0.23 3.44 -0.58 0.63 -4.74 120.64 118.64 1gju n GLU 445 Ca 0.05 -0.04 0.27 0.00 -0.42 0.00 0.00 57.16 57.03 1gju n GLU 445 Cb 0.33 -1.17 0.67 0.00 -0.57 0.00 0.00 31.44 30.70 1gju n GLU 445 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1gju h ILE 446 N 0.00 0.55 0.00 -3.67 2.10 -0.71 -1.32 117.51 114.46 1gju h ILE 446 Ca -0.08 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1gju h ILE 446 Cb 0.79 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1gju h ILE 446 CO 0.00 0.02 0.00 1.23 -1.08 0.00 0.00 178.15 178.32 1gju h GLY 447 N 0.11 0.00 2.00 8.18 0.00 -1.85 -2.33 103.07 109.18 1gju h GLY 447 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1gju h GLY 447 CO -0.06 0.00 -0.05 0.50 0.00 0.00 0.00 176.54 176.92 1gju h LYS 448 N 0.00 0.00 -0.76 4.80 1.57 -1.59 -3.35 116.57 117.24 1gju h LYS 448 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1gju h LYS 448 Cb 0.16 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 1gju h LYS 448 CO 0.00 0.05 0.42 -0.07 -0.57 0.00 0.00 179.45 179.28 1gju h LEU 449 N 0.00 0.60 -0.33 2.94 3.38 -1.59 -2.77 115.31 117.54 1gju h LEU 449 Ca -0.00 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1gju h LEU 449 Cb 1.02 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1gju h LEU 449 CO 0.01 0.36 -0.10 -0.65 0.09 0.00 0.00 178.44 178.15 1gju h PRO 450 N 0.73 -0.02 -0.31 1.13 0.11 -1.79 -1.54 132.00 130.31 1gju h PRO 450 Ca 0.36 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.34 1gju h PRO 450 Cb 0.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1gju h PRO 450 CO -0.23 -0.01 -0.34 -0.44 -0.21 0.00 0.00 178.00 176.76 1gju h ASP 451 N -0.02 0.71 -0.60 -2.05 3.32 -1.81 -2.87 116.42 113.10 1gju h ASP 451 Ca 0.16 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1gju h ASP 451 Cb 0.27 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1gju h ASP 451 CO -0.35 0.99 0.38 0.40 -1.72 0.00 0.00 179.24 178.94 1gju h ILE 452 N 0.57 1.11 -0.44 0.35 2.04 -1.18 -3.03 117.51 116.93 1gju h ILE 452 Ca 0.06 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 1gju h ILE 452 Cb 0.85 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1gju h ILE 452 CO 0.07 0.14 -0.23 0.00 0.00 0.00 0.00 178.15 178.13 1gju h ALA 453 N 1.24 0.62 -0.21 1.87 0.00 -1.28 -3.25 119.26 118.25 1gju h ALA 453 Ca 0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1gju h ALA 453 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1gju h ALA 453 CO -0.08 0.62 0.05 1.49 0.00 0.00 0.00 179.25 181.33 1gju h GLU 454 N 0.77 0.29 0.00 0.00 4.57 -1.39 -2.76 114.58 116.06 1gju h GLU 454 Ca 0.10 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1gju h GLU 454 Cb 0.81 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1gju h GLU 454 CO 0.07 0.27 0.00 -1.91 -1.18 0.00 0.00 179.01 176.26 1gju n GLU 455 N -4.42 0.18 -1.67 1.92 0.00 -1.17 -4.92 120.64 110.56 1gju n GLU 455 Ca 0.00 0.17 -0.39 0.00 0.00 0.00 0.00 57.16 56.94 1gju n GLU 455 Cb 0.15 -1.71 0.04 0.00 0.00 0.00 0.00 31.44 29.91 1gju n GLU 455 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1gju n LEU 456 N -2.02 4.23 -0.60 4.31 4.77 -1.04 -4.92 117.00 121.72 1gju n LEU 456 Ca 0.06 0.93 0.07 0.00 -0.03 0.00 0.00 56.01 57.03 1gju n LEU 456 Cb 0.39 -1.46 0.10 0.00 -2.33 0.00 0.00 43.42 40.11 1gju n LEU 456 CO 0.28 -1.23 0.52 1.33 -1.33 0.00 0.00 177.39 176.97 1gju n VAL 457 N -1.15 0.31 -3.93 4.08 0.24 -1.26 -4.97 118.33 111.65 1gju n VAL 457 Ca 0.11 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.34 61.67 1gju n VAL 457 Cb 0.44 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.76 1gju n VAL 457 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1gju s LEU 458 N -1.07 1.79 0.69 1.34 1.43 -1.26 -5.03 118.68 116.56 1gju s LEU 458 Ca 0.19 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1gju s LEU 458 Cb 0.12 0.64 0.00 0.00 0.03 0.00 0.00 46.19 46.99 1gju s LEU 458 CO 0.17 -0.55 1.08 -2.16 0.23 0.00 0.00 176.35 175.12 1gju s PRO 459 N -2.89 3.02 0.18 1.29 0.04 -1.26 -4.87 135.00 130.50 1gju s PRO 459 Ca -0.03 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.60 1gju s PRO 459 Cb 0.01 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1gju s PRO 459 CO -0.06 -0.94 -0.02 -0.59 0.04 0.00 0.00 177.00 175.43 1gju s PHE 460 N -3.29 1.29 -0.64 0.56 -0.71 -0.71 -2.48 117.98 111.99 1gju s PHE 460 Ca 0.57 -0.94 -0.27 0.00 -1.04 0.00 0.00 56.93 55.25 1gju s PHE 460 Cb -0.11 -0.73 0.04 0.00 -1.21 0.00 0.00 43.02 41.01 1gju s PHE 460 CO 0.53 -0.11 1.17 -0.51 -1.34 0.00 0.00 175.22 174.95 1gju s LEU 461 N -3.20 3.53 -0.74 -1.99 1.43 -1.17 -1.25 118.68 115.28 1gju s LEU 461 Ca 0.23 -0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 52.79 1gju s LEU 461 Cb 0.05 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1gju s LEU 461 CO 0.04 -1.58 1.62 0.00 0.23 0.00 0.00 176.35 176.67 1gju s ALA 462 N 5.02 2.36 0.29 4.21 0.00 -0.25 -4.82 121.76 128.58 1gju s ALA 462 Ca 0.36 -1.20 0.11 0.00 0.00 0.00 0.00 51.96 51.23 1gju s ALA 462 Cb -0.09 -4.35 -0.05 0.00 0.00 0.00 0.00 23.12 18.63 1gju s ALA 462 CO 0.19 -3.78 -0.16 -1.54 0.00 0.00 0.00 175.76 170.47 1gju s SER 463 N 6.23 3.70 0.00 0.00 1.04 -1.26 -1.32 113.70 122.09 1gju s SER 463 Ca 0.54 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1gju s SER 463 Cb -0.09 -0.35 0.03 0.00 0.10 0.00 0.00 66.02 65.71 1gju s SER 463 CO 0.12 -0.01 0.70 1.33 0.98 0.00 0.00 173.24 176.37 1gju n VAL 464 N -0.68 0.25 -3.63 5.02 0.24 -1.26 -2.62 118.33 115.64 1gju n VAL 464 Ca -0.05 -0.62 -0.03 0.00 -2.04 0.00 0.00 64.34 61.59 1gju n VAL 464 Cb 0.61 0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 33.85 1gju n VAL 464 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1gju s GLU 465 N -0.41 0.15 0.35 7.34 -1.05 -1.26 -4.40 118.70 119.41 1gju s GLU 465 Ca 0.04 0.03 0.08 0.00 -0.15 0.00 0.00 54.97 54.96 1gju s GLU 465 Cb 0.02 0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1gju s GLU 465 CO 0.03 -0.05 0.28 0.95 0.95 0.00 0.00 175.26 177.43 1gju s THR 466 N -1.12 0.03 0.56 1.83 -4.23 -1.26 -4.60 115.64 106.86 1gju s THR 466 Ca 0.07 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.85 1gju s THR 466 Cb -0.01 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.68 1gju s THR 466 CO -0.06 0.00 2.22 -0.65 -0.54 0.00 0.00 174.62 175.58 1gju h PRO 467 N 2.07 0.00 -0.02 3.99 0.11 -1.98 -2.92 132.00 133.26 1gju h PRO 467 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1gju h PRO 467 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1gju h PRO 467 CO 0.36 0.02 -0.17 -0.25 -0.21 0.00 0.00 178.00 177.75 1gju n ASP 468 N -3.95 1.70 -4.70 -2.05 8.00 -1.26 -3.36 116.55 110.93 1gju n ASP 468 Ca -0.03 -1.39 -0.29 0.00 0.71 0.00 0.00 54.79 53.79 1gju n ASP 468 Cb 0.10 0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 1gju n ASP 468 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1gju s THR 469 N -2.25 1.77 0.70 -3.53 -4.23 -1.11 -0.90 115.64 106.09 1gju s THR 469 Ca 0.28 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 58.75 1gju s THR 469 Cb 0.20 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1gju s THR 469 CO 0.43 0.00 1.08 -2.16 -0.54 0.00 0.00 174.62 173.44 1gju s PRO 470 N -3.83 2.72 0.46 3.99 0.04 -1.26 -4.70 135.00 132.42 1gju s PRO 470 Ca 0.27 1.19 -0.22 0.00 0.04 0.00 0.00 61.00 62.28 1gju s PRO 470 Cb 0.06 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 1gju s PRO 470 CO 0.14 -1.29 1.10 1.03 0.04 0.00 0.00 177.00 178.03 1gju s ARG 471 N -4.57 3.82 0.48 4.56 1.81 -1.26 -4.65 118.95 119.14 1gju s ARG 471 Ca 0.63 1.60 0.22 0.00 -1.72 0.00 0.00 55.73 56.46 1gju s ARG 471 Cb -0.17 -2.33 1.20 0.00 -0.45 0.00 0.00 34.95 33.20 1gju s ARG 471 CO 0.49 -0.45 2.00 0.97 -0.68 0.00 0.00 175.30 177.62 1gju h ILE 472 N 1.81 0.79 0.00 1.52 6.09 -1.86 -1.63 117.51 124.24 1gju h ILE 472 Ca -0.49 -0.72 0.00 0.00 -1.37 0.00 0.00 64.86 62.27 1gju h ILE 472 Cb 1.24 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.96 1gju h ILE 472 CO 0.60 0.18 0.00 0.00 -3.07 0.00 0.00 178.15 175.86 1gju n ALA 473 N -2.35 1.87 -0.09 0.18 0.00 -1.26 -2.30 120.51 116.56 1gju n ALA 473 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1gju n ALA 473 Cb 0.28 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1gju n ALA 473 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gju n THR 474 N -1.15 0.39 -1.83 0.00 -2.24 -0.61 -4.84 114.28 104.00 1gju n THR 474 Ca 0.08 -0.65 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 1gju n THR 474 Cb 0.08 0.86 0.08 0.00 -2.10 0.00 0.00 70.33 69.24 1gju n THR 474 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gju s ARG 475 N -0.39 2.18 0.24 -0.78 1.81 -0.97 -4.94 118.95 116.10 1gju s ARG 475 Ca 0.00 0.28 -0.31 0.00 -1.72 0.00 0.00 55.73 53.98 1gju s ARG 475 Cb 0.00 -1.96 -0.13 0.00 -0.45 0.00 0.00 34.95 32.41 1gju s ARG 475 CO 0.00 -1.48 1.42 1.17 -0.68 0.00 0.00 175.30 175.74 1gju n LYS 476 N -3.27 2.06 -2.45 3.54 4.81 -1.26 -1.62 118.16 119.97 1gju n LYS 476 Ca 0.07 0.73 -0.16 0.00 -0.87 0.00 0.00 58.31 58.09 1gju n LYS 476 Cb 0.59 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1gju n LYS 476 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1gju n TYR 477 N 1.98 -0.95 -0.36 5.64 4.02 -1.26 -4.75 117.16 121.48 1gju n TYR 477 Ca 0.12 0.11 0.02 0.00 -0.01 0.00 0.00 57.90 58.14 1gju n TYR 477 Cb 0.31 -3.33 0.08 0.00 -0.02 0.00 0.00 39.34 36.38 1gju n TYR 477 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gju h ALA 478 N 0.74 0.37 -0.47 -0.72 0.00 -1.61 0.19 119.26 117.76 1gju h ALA 478 Ca -0.38 0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1gju h ALA 478 Cb 1.27 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 1gju h ALA 478 CO 0.43 -0.52 0.55 0.66 0.00 0.00 0.00 179.25 180.38 1gju h SER 479 N -0.01 0.00 0.00 0.00 4.64 -1.89 0.31 113.55 116.60 1gju h SER 479 Ca 0.39 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.37 1gju h SER 479 Cb 0.65 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 1gju h SER 479 CO -0.98 0.00 -2.20 0.29 -0.87 0.00 0.00 176.83 173.07 1gju n LYS 480 N -3.59 0.48 0.26 4.77 4.76 0.44 -4.62 118.16 120.66 1gju n LYS 480 Ca 0.09 0.17 0.12 0.00 -2.87 0.00 0.00 58.31 55.82 1gju n LYS 480 Cb 0.74 -1.33 0.72 0.00 -1.84 0.00 0.00 35.03 33.32 1gju n LYS 480 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1gju h MET 481 N -0.45 0.00 0.00 1.97 2.86 -0.52 -1.87 114.93 116.93 1gju h MET 481 Ca -0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1gju h MET 481 Cb 1.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1gju h MET 481 CO -0.22 0.11 0.00 0.36 1.06 0.00 0.00 176.91 178.22 1gju n LYS 482 N -3.74 0.13 -0.05 1.72 2.85 0.06 -0.88 118.16 118.25 1gju n LYS 482 Ca -0.02 0.47 -0.07 0.00 -1.05 0.00 0.00 58.31 57.64 1gju n LYS 482 Cb 0.22 -1.80 -0.05 0.00 -0.65 0.00 0.00 35.03 32.75 1gju n LYS 482 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1gju n LYS 483 N -2.06 0.38 -0.12 -1.58 5.02 -0.97 -4.64 118.16 114.19 1gju n LYS 483 Ca 0.01 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1gju n LYS 483 Cb 0.14 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1gju n LYS 483 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1gju h LEU 484 N 0.00 0.69 -0.33 -0.35 6.46 -1.22 -2.97 115.31 117.59 1gju h LEU 484 Ca -0.22 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1gju h LEU 484 Cb 1.34 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 1gju h LEU 484 CO -0.03 0.90 0.21 0.00 -0.62 0.00 0.00 178.44 178.90 1gju h ALA 485 N 0.81 0.42 -0.17 1.25 0.00 -1.26 -2.33 119.26 117.98 1gju h ALA 485 Ca 0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1gju h ALA 485 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1gju h ALA 485 CO 0.04 -0.10 -0.43 -1.00 0.00 0.00 0.00 179.25 177.76 1gju h PRO 486 N 0.44 0.40 -0.24 0.00 0.13 -1.76 -1.38 132.00 129.59 1gju h PRO 486 Ca 0.12 -0.21 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1gju h PRO 486 Cb -0.03 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.09 1gju h PRO 486 CO -0.02 0.76 0.12 0.35 -0.23 0.00 0.00 178.00 178.98 1gju h PHE 487 N 0.33 0.22 -0.28 1.56 3.57 -1.39 0.17 116.94 121.12 1gju h PHE 487 Ca 0.03 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 1gju h PHE 487 Cb 0.90 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1gju h PHE 487 CO 0.03 0.13 -0.42 0.28 -2.23 0.00 0.00 178.31 176.10 1gju h VAL 488 N 0.26 1.29 -0.08 1.41 2.07 -1.33 -3.30 116.25 116.57 1gju h VAL 488 Ca 0.10 -1.60 -0.15 0.00 0.82 0.00 0.00 66.70 65.88 1gju h VAL 488 Cb 0.03 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1gju h VAL 488 CO -0.07 0.51 -0.53 0.74 0.02 0.00 0.00 177.57 178.24 1gju h THR 489 N 0.55 1.38 0.00 2.57 2.02 -1.06 -3.31 112.91 115.06 1gju h THR 489 Ca 0.04 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1gju h THR 489 Cb 0.95 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1gju h THR 489 CO 0.09 0.56 0.00 1.88 0.37 0.00 0.00 175.52 178.42 1gju h TYR 490 N 0.07 0.00 -0.14 3.16 0.99 -1.08 -2.41 116.97 117.56 1gju h TYR 490 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1gju h TYR 490 Cb 1.19 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.92 1gju h TYR 490 CO 0.12 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.47 1gju n PHE 491 N -2.50 0.16 -1.42 4.88 3.01 -1.24 -4.75 117.46 115.60 1gju n PHE 491 Ca 0.01 -0.08 -0.33 0.00 1.01 0.00 0.00 57.45 58.06 1gju n PHE 491 Cb 0.22 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.77 1gju n PHE 491 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1gju s LEU 492 N -1.82 3.25 0.48 4.37 1.43 -0.91 -4.96 118.68 120.52 1gju s LEU 492 Ca 0.33 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 55.37 1gju s LEU 492 Cb 0.21 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.79 1gju s LEU 492 CO 0.31 -2.15 1.21 -2.84 0.23 0.00 0.00 176.35 173.10 1gju s PRO 493 N -4.17 3.62 -1.09 1.29 0.02 -1.26 -2.78 135.00 130.62 1gju s PRO 493 Ca 0.70 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1gju s PRO 493 Cb -0.24 -2.37 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1gju s PRO 493 CO 0.47 -0.69 0.00 0.09 -0.33 0.00 0.00 177.00 176.54 1gju n ASN 494 N -0.61 -4.94 -4.86 2.53 3.02 -1.26 -4.60 115.26 104.54 1gju n ASN 494 Ca 0.08 0.26 -0.32 0.00 -0.03 0.00 0.00 54.58 54.57 1gju n ASN 494 Cb 0.47 -3.35 -0.05 0.00 -0.61 0.00 0.00 39.78 36.24 1gju n ASN 494 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1gju s SER 495 N -2.57 6.70 -0.35 6.41 1.04 -1.12 -1.74 113.70 122.08 1gju s SER 495 Ca 0.00 1.23 0.01 0.00 0.48 0.00 0.00 55.95 57.67 1gju s SER 495 Cb 0.00 -2.36 0.11 0.00 0.10 0.00 0.00 66.02 63.87 1gju s SER 495 CO 0.00 -0.25 0.12 -0.63 0.98 0.00 0.00 173.24 173.46 1gju s ILE 496 N -2.08 1.37 -0.09 -1.02 1.01 -0.38 -4.87 121.20 115.14 1gju s ILE 496 Ca 0.53 -1.93 -0.39 0.00 0.00 0.00 0.00 60.65 58.86 1gju s ILE 496 Cb -0.10 -2.01 -0.16 0.00 0.01 0.00 0.00 42.46 40.19 1gju s ILE 496 CO 0.21 -0.71 1.51 -2.65 0.00 0.00 0.00 174.94 173.30 1gju n PRO 497 N 4.37 1.07 -4.87 2.79 -0.02 -1.26 -1.08 135.00 136.00 1gju n PRO 497 Ca 0.02 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1gju n PRO 497 Cb 0.40 -2.04 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 1gju n PRO 497 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1gju s TYR 498 N 1.83 2.73 -0.23 6.00 5.04 -0.43 -1.34 117.35 130.94 1gju s TYR 498 Ca 0.91 -0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 54.69 1gju s TYR 498 Cb -1.03 -1.81 0.03 0.00 0.35 0.00 0.00 41.96 39.50 1gju s TYR 498 CO 0.56 -0.33 -0.09 0.08 -1.34 0.00 0.00 175.55 174.43 1gju s VAL 499 N 0.43 2.67 0.12 3.14 1.01 0.10 -4.64 120.40 123.23 1gju s VAL 499 Ca -0.12 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 1gju s VAL 499 Cb -0.16 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1gju s VAL 499 CO 0.06 0.26 0.94 0.21 0.00 0.00 0.00 175.10 176.57 1gju s ASN 500 N 1.30 7.49 -0.01 3.32 3.04 -1.26 -0.76 114.94 128.07 1gju s ASN 500 Ca 0.01 1.79 -0.34 0.00 0.04 0.00 0.00 52.86 54.35 1gju s ASN 500 Cb -0.16 -2.58 -0.12 0.00 -1.54 0.00 0.00 41.25 36.85 1gju s ASN 500 CO -0.06 -0.03 1.80 1.07 -3.04 0.00 0.00 177.10 176.84 1gju n THR 501 N 2.61 0.42 0.00 -5.21 5.66 -0.11 -0.55 114.28 117.09 1gju n THR 501 Ca 0.01 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1gju n THR 501 Cb 0.49 -1.79 0.00 0.00 -1.55 0.00 0.00 70.33 67.47 1gju n THR 501 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1gju n GLY 502 N 4.12 2.55 0.33 1.09 0.00 -1.26 -4.92 105.19 107.10 1gju n GLY 502 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1gju n GLY 502 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gju h GLN 503 N 0.30 1.03 0.00 1.61 4.15 -1.15 -1.84 115.11 119.21 1gju h GLN 503 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1gju h GLN 503 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.46 1gju h GLN 503 CO 0.00 0.68 0.00 1.05 -1.93 0.00 0.00 178.83 178.63 1gju h GLU 504 N 1.06 0.00 -0.11 1.69 9.09 -1.92 -0.69 114.58 123.70 1gju h GLU 504 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 1gju h GLU 504 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1gju h GLU 504 CO -0.15 0.00 0.00 0.44 0.05 0.00 0.00 179.01 179.35 1gju n ILE 505 N -2.55 1.47 -2.55 -1.06 -5.35 -0.93 -2.25 119.36 106.14 1gju n ILE 505 Ca -0.01 -1.51 -0.11 0.00 -0.27 0.00 0.00 62.75 60.84 1gju n ILE 505 Cb 0.08 0.16 0.01 0.00 -1.74 0.00 0.00 39.64 38.16 1gju n ILE 505 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gju n GLY 506 N -0.59 0.04 3.77 3.28 0.00 -0.27 -1.48 105.19 109.95 1gju n GLY 506 Ca 0.10 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1gju n GLY 506 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gju s GLU 507 N -4.99 3.70 -0.18 1.61 2.56 -0.74 -4.89 118.70 115.78 1gju s GLU 507 Ca 0.12 2.44 -0.09 0.00 0.00 0.00 0.00 54.97 57.44 1gju s GLU 507 Cb -0.05 -2.67 -0.08 0.00 2.00 0.00 0.00 34.13 33.32 1gju s GLU 507 CO 0.15 -0.81 -0.23 1.63 -0.56 0.00 0.00 175.26 175.43 1gju n LYS 508 N -0.16 0.38 -1.68 4.30 5.02 -1.26 -4.50 118.16 120.26 1gju n LYS 508 Ca 0.05 0.17 -0.45 0.00 -2.02 0.00 0.00 58.31 56.05 1gju n LYS 508 Cb 0.41 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 1gju n LYS 508 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1gju n GLN 509 N -3.82 2.34 -1.62 1.97 -0.06 -1.26 -4.39 117.38 110.54 1gju n GLN 509 Ca -0.35 0.85 -0.32 0.00 -2.00 0.00 0.00 57.00 55.17 1gju n GLN 509 Cb 0.75 -2.66 0.06 0.00 -4.06 0.00 0.00 30.24 24.32 1gju n GLN 509 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1gju s PRO 510 N 1.89 2.67 0.14 3.69 0.04 -1.26 -4.89 135.00 137.28 1gju s PRO 510 Ca 0.82 1.30 0.19 0.00 0.04 0.00 0.00 61.00 63.35 1gju s PRO 510 Cb -0.63 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 1gju s PRO 510 CO 0.40 -1.34 0.98 0.52 0.04 0.00 0.00 177.00 177.60 1gju h MET 511 N -0.31 0.00 -1.86 4.56 2.86 -1.84 -3.41 114.93 114.94 1gju h MET 511 Ca -0.46 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.17 1gju h MET 511 Cb 1.24 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 32.70 1gju h MET 511 CO 0.54 0.20 0.30 1.21 1.06 0.00 0.00 176.91 180.21 1gju s ASN 512 N -5.71 -0.57 -0.33 1.22 2.47 -1.21 -2.36 114.94 108.45 1gju s ASN 512 Ca -0.01 0.65 0.03 0.00 0.42 0.00 0.00 52.86 53.95 1gju s ASN 512 Cb 0.09 0.51 0.47 0.00 -1.45 0.00 0.00 41.25 40.86 1gju s ASN 512 CO 0.79 -0.51 1.67 0.18 -3.72 0.00 0.00 177.10 175.52 1gju n LEU 513 N 0.94 5.74 0.00 3.21 4.77 -1.26 -4.41 117.00 125.99 1gju n LEU 513 Ca -0.16 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 1gju n LEU 513 Cb 0.57 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1gju n LEU 513 CO 0.20 0.92 0.14 0.61 -1.33 0.00 0.00 177.39 177.93 1gju n GLY 514 N -0.64 -2.28 3.74 -0.72 0.00 -1.22 -4.48 105.19 99.59 1gju n GLY 514 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1gju n GLY 514 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gju s LEU 515 N -0.64 4.42 -1.68 0.99 1.43 -0.08 -4.41 118.68 118.71 1gju s LEU 515 Ca 0.00 1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 54.33 1gju s LEU 515 Cb 0.00 -3.17 0.14 0.00 0.03 0.00 0.00 46.19 43.19 1gju s LEU 515 CO 0.00 0.01 0.35 -0.67 0.23 0.00 0.00 176.35 176.26 1gju n ASP 516 N 2.94 -0.70 -4.50 2.29 -0.08 -1.26 -4.35 116.55 110.89 1gju n ASP 516 Ca -0.03 -1.21 -0.31 0.00 -1.51 0.00 0.00 54.79 51.74 1gju n ASP 516 Cb 0.50 -1.52 -0.12 0.00 2.34 0.00 0.00 41.12 42.32 1gju n ASP 516 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1gju s THR 517 N -3.61 3.07 -0.27 5.18 2.01 -1.26 -4.64 115.64 116.11 1gju s THR 517 Ca 0.49 -1.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 1gju s THR 517 Cb -0.28 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1gju s THR 517 CO 0.97 0.35 0.20 -0.62 -0.69 0.00 0.00 174.62 174.83 1gju s ASP 518 N -1.45 6.07 0.58 3.53 2.15 -1.26 -4.98 116.67 121.31 1gju s ASP 518 Ca 0.16 0.06 0.31 0.00 0.43 0.00 0.00 52.55 53.50 1gju s ASP 518 Cb -0.11 -2.13 1.36 0.00 -0.30 0.00 0.00 42.92 41.75 1gju s ASP 518 CO 0.06 -0.03 1.70 -0.65 -0.17 0.00 0.00 175.17 176.08 1gju h PRO 519 N 8.12 0.00 0.00 4.34 0.11 -1.99 0.26 132.00 142.85 1gju h PRO 519 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1gju h PRO 519 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1gju h PRO 519 CO 0.59 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.47 1gju h ASN 520 N 0.00 0.00 0.68 -2.05 2.35 -2.02 -1.81 115.58 112.74 1gju h ASN 520 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1gju h ASN 520 Cb 2.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.40 1gju h ASN 520 CO -0.00 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.71 1gju h LEU 521 N 0.00 0.00 -1.27 1.61 3.38 -0.89 -1.51 115.31 116.63 1gju h LEU 521 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gju h LEU 521 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1gju h LEU 521 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.39 1gju n ARG 522 N -2.83 0.13 -1.35 1.13 0.63 -0.68 -2.74 116.66 110.96 1gju n ARG 522 Ca 0.00 0.61 -0.04 0.00 -0.92 0.00 0.00 57.85 57.50 1gju n ARG 522 Cb 0.22 -1.92 0.11 0.00 0.45 0.00 0.00 32.46 31.33 1gju n ARG 522 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1gju n LYS 523 N -2.20 2.02 0.26 -0.14 2.85 -0.57 -3.42 118.16 116.97 1gju n LYS 523 Ca -0.01 -3.42 0.16 0.00 -1.05 0.00 0.00 58.31 53.99 1gju n LYS 523 Cb 0.05 -1.61 0.53 0.00 -0.65 0.00 0.00 35.03 33.35 1gju n LYS 523 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1gju h VAL 524 N 2.56 0.00 -3.99 0.58 -1.51 -1.68 -3.45 116.25 108.76 1gju h VAL 524 Ca 0.07 -0.66 -0.50 0.00 -1.23 0.00 0.00 66.70 64.39 1gju h VAL 524 Cb 1.31 1.66 0.05 0.00 -2.13 0.00 0.00 31.29 32.18 1gju h VAL 524 CO 0.26 0.00 0.27 -0.76 -1.23 0.00 0.00 177.57 176.12 1gju s LEU 525 N -6.18 3.36 0.34 4.19 1.43 -1.26 -5.02 118.68 115.54 1gju s LEU 525 Ca 0.03 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.97 1gju s LEU 525 Cb 0.08 -4.10 -0.11 0.00 0.03 0.00 0.00 46.19 42.09 1gju s LEU 525 CO 0.58 -0.82 1.39 -0.55 0.23 0.00 0.00 176.35 177.18 1gju s SER 526 N -4.18 6.60 0.00 2.29 0.15 -1.26 -4.88 113.70 112.42 1gju s SER 526 Ca 0.52 2.82 0.05 0.00 0.70 0.00 0.00 55.95 60.05 1gju s SER 526 Cb -0.11 -2.65 0.24 0.00 -1.71 0.00 0.00 66.02 61.79 1gju s SER 526 CO 0.49 -0.68 1.04 -0.81 1.20 0.00 0.00 173.24 174.49 1gju n PRO 527 N 0.84 0.05 -0.17 5.44 -0.04 -1.26 -0.77 135.00 139.09 1gju n PRO 527 Ca 0.01 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1gju n PRO 527 Cb 0.41 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.57 1gju n PRO 527 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1gju n THR 528 N -1.35 0.46 -2.79 0.52 -2.24 -1.26 -4.93 114.28 102.69 1gju n THR 528 Ca 0.02 -0.73 -0.41 0.00 -2.27 0.00 0.00 64.05 60.66 1gju n THR 528 Cb 0.04 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 1gju n THR 528 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gju s ASP 529 N -1.52 7.35 0.37 3.42 -1.08 0.05 -4.94 116.67 120.32 1gju s ASP 529 Ca 0.37 1.62 0.15 0.00 -0.52 0.00 0.00 52.55 54.18 1gju s ASP 529 Cb 0.22 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 40.16 1gju s ASP 529 CO 0.31 -0.15 1.76 -0.08 0.52 0.00 0.00 175.17 177.54 1gju h GLU 530 N 6.27 0.45 -0.70 4.34 4.81 -1.91 -1.55 114.58 126.28 1gju h GLU 530 Ca -0.42 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 58.64 1gju h GLU 530 Cb 1.21 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.41 1gju h GLU 530 CO 0.74 0.30 0.18 1.19 -0.73 0.00 0.00 179.01 180.69 1gju n PHE 531 N -4.70 2.34 -1.66 0.92 3.01 -1.26 -4.99 117.46 111.11 1gju n PHE 531 Ca 0.25 -1.03 -0.46 0.00 1.01 0.00 0.00 57.45 57.22 1gju n PHE 531 Cb 0.82 -0.63 -0.04 0.00 -0.01 0.00 0.00 39.48 39.62 1gju n PHE 531 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1gju n PHE 532 N 0.13 2.21 -0.38 1.38 7.35 -0.59 -2.01 117.46 125.56 1gju n PHE 532 Ca 0.36 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 1gju n PHE 532 Cb 1.32 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 38.63 1gju n PHE 532 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1gju n GLY 533 N 3.29 1.95 3.81 7.13 0.00 -1.22 -5.02 105.19 115.13 1gju n GLY 533 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1gju n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gju s LYS 534 N -0.04 4.33 -0.24 1.61 -0.14 -0.85 -4.99 119.74 119.41 1gju s LYS 534 Ca 0.00 1.01 0.02 0.00 -1.36 0.00 0.00 55.97 55.64 1gju s LYS 534 Cb 0.00 -2.78 0.06 0.00 -1.68 0.00 0.00 37.83 33.43 1gju s LYS 534 CO 0.00 0.31 -0.10 -0.51 -0.76 0.00 0.00 175.35 174.30 1gju s LEU 535 N -2.15 3.06 0.56 3.17 1.43 -1.26 -4.87 118.68 118.61 1gju s LEU 535 Ca 0.47 -1.27 0.49 0.00 -1.03 0.00 0.00 54.13 52.80 1gju s LEU 535 Cb -0.16 -1.42 1.73 0.00 0.03 0.00 0.00 46.19 46.37 1gju s LEU 535 CO 0.21 -0.19 1.59 0.00 0.23 0.00 0.00 176.35 178.19 1gju h ALA 536 N 7.84 3.82 0.00 4.21 0.00 -1.70 0.26 119.26 133.69 1gju h ALA 536 Ca -0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1gju h ALA 536 Cb 1.06 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1gju h ALA 536 CO 0.46 -2.37 -0.16 0.74 0.00 0.00 0.00 179.25 177.92 1gju h PHE 537 N 0.00 0.00 0.00 0.00 -1.00 -1.85 -3.32 116.94 110.77 1gju h PHE 537 Ca 0.91 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.69 1gju h PHE 537 Cb 3.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 43.22 1gju h PHE 537 CO -0.00 0.16 0.00 1.19 -1.61 0.00 0.00 178.31 178.05 1gju n PHE 538 N -3.62 0.00 -3.94 -0.55 3.01 0.02 -3.76 117.46 108.62 1gju n PHE 538 Ca -0.01 -0.06 -0.08 0.00 1.01 0.00 0.00 57.45 58.30 1gju n PHE 538 Cb 0.29 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 39.67 1gju n PHE 538 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1gju s ASP 539 N -0.12 0.24 0.02 4.37 1.01 -0.82 -1.60 116.67 119.77 1gju s ASP 539 Ca 0.00 -0.71 -0.30 0.00 0.71 0.00 0.00 52.55 52.25 1gju s ASP 539 Cb 0.00 0.27 -0.05 0.00 1.01 0.00 0.00 42.92 44.15 1gju s ASP 539 CO 0.00 -0.62 1.25 -1.00 0.21 0.00 0.00 175.17 175.01 1gju s HIS 540 N -3.48 3.24 -0.07 4.23 3.76 -1.26 -4.19 115.29 117.52 1gju s HIS 540 Ca 0.02 1.16 -0.03 0.00 -0.15 0.00 0.00 55.06 56.06 1gju s HIS 540 Cb 0.04 -3.48 0.04 0.00 1.11 0.00 0.00 32.58 30.29 1gju s HIS 540 CO -0.09 -1.58 0.16 -0.47 -0.85 0.00 0.00 174.74 171.92 1gju s TYR 541 N 1.64 -0.19 -0.29 1.40 5.04 -1.26 -4.92 117.35 118.77 1gju s TYR 541 Ca 0.59 0.54 -0.07 0.00 -2.44 0.00 0.00 57.07 55.70 1gju s TYR 541 Cb -0.29 -0.07 0.01 0.00 0.35 0.00 0.00 41.96 41.96 1gju s TYR 541 CO 0.27 -0.18 0.07 0.08 -1.34 0.00 0.00 175.55 174.45 1gju s VAL 542 N 1.23 3.96 0.86 3.14 1.01 -1.26 -4.72 120.40 124.63 1gju s VAL 542 Ca -0.09 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1gju s VAL 542 Cb -0.11 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1gju s VAL 542 CO -0.06 0.12 0.55 0.18 0.00 0.00 0.00 175.10 175.89 1gju n LEU 543 N 4.87 0.72 -3.08 3.92 4.77 -1.26 -4.84 117.00 122.10 1gju n LEU 543 Ca -0.15 0.44 -0.34 0.00 -0.03 0.00 0.00 56.01 55.93 1gju n LEU 543 Cb 0.48 -1.25 -0.05 0.00 -2.33 0.00 0.00 43.42 40.27 1gju n LEU 543 CO 0.31 -3.22 2.90 1.41 -1.33 0.00 0.00 177.39 177.47 1gju n HIS 544 N -3.20 2.00 0.09 -1.77 8.25 -1.26 -4.70 115.22 114.63 1gju n HIS 544 Ca 0.09 -2.74 0.08 0.00 -0.26 0.00 0.00 57.72 54.88 1gju n HIS 544 Cb 0.52 -2.21 0.55 0.00 1.12 0.00 0.00 29.99 29.97 1gju n HIS 544 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1gju h TRP 545 N 4.53 0.25 0.00 4.41 4.06 -1.98 -2.46 115.95 124.76 1gju h TRP 545 Ca 0.72 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.64 1gju h TRP 545 Cb 0.51 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1gju h TRP 545 CO 1.82 0.15 -0.18 -0.44 -3.56 0.00 0.00 178.44 176.23 1gju h ASP 546 N 0.26 0.00 -2.11 -3.49 3.32 -1.99 -3.35 116.42 109.06 1gju h ASP 546 Ca 0.12 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.62 1gju h ASP 546 Cb 0.14 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.28 1gju h ASP 546 CO -0.02 0.18 -0.92 -1.54 -1.72 0.00 0.00 179.24 175.22 1gju n SER 547 N -3.19 2.19 -4.87 6.45 3.41 -0.94 -5.09 113.62 111.58 1gju n SER 547 Ca 0.02 -3.20 -0.31 0.00 -0.26 0.00 0.00 58.87 55.13 1gju n SER 547 Cb 0.54 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.88 1gju n SER 547 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gju s PRO 548 N -2.44 3.55 -1.01 4.33 0.04 -1.13 -4.95 135.00 133.40 1gju s PRO 548 Ca 0.41 0.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 1gju s PRO 548 Cb 0.25 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.85 1gju s PRO 548 CO -0.09 -0.60 1.23 0.34 0.04 0.00 0.00 177.00 177.92 1gju s ASP 549 N -4.19 6.73 0.52 6.66 -1.08 -0.55 -4.87 116.67 119.90 1gju s ASP 549 Ca 0.55 -2.25 0.19 0.00 -0.52 0.00 0.00 52.55 50.52 1gju s ASP 549 Cb -0.11 -2.41 1.29 0.00 -1.46 0.00 0.00 42.92 40.23 1gju s ASP 549 CO 0.54 -1.02 2.10 0.03 0.52 0.00 0.00 175.17 177.34 1gju h ARG 550 N 8.46 0.02 -0.70 4.34 3.08 -1.93 -1.96 114.38 125.69 1gju h ARG 550 Ca 0.20 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 1gju h ARG 550 Cb 0.98 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 1gju h ARG 550 CO 1.17 0.01 0.26 0.78 -1.07 0.00 0.00 179.97 181.12 1gju h GLY 551 N 0.02 1.12 1.03 0.04 0.00 -1.96 -1.15 103.07 102.16 1gju h GLY 551 Ca 0.08 -0.61 -0.21 0.00 0.00 0.00 0.00 47.33 46.60 1gju h GLY 551 CO -0.00 0.57 -0.78 -2.08 0.00 0.00 0.00 176.54 174.25 1gju h VAL 552 N 1.02 1.33 0.13 4.60 2.07 -1.69 -2.43 116.25 121.28 1gju h VAL 552 Ca 0.23 -2.07 0.01 0.00 0.82 0.00 0.00 66.70 65.70 1gju h VAL 552 Cb 0.23 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1gju h VAL 552 CO -0.02 0.63 -0.22 0.25 0.02 0.00 0.00 177.57 178.23 1gju h LEU 553 N 0.24 -0.62 -0.86 2.57 5.85 -0.93 -0.14 115.31 121.42 1gju h LEU 553 Ca -0.08 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1gju h LEU 553 Cb 1.44 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 1gju h LEU 553 CO 0.16 -0.31 0.57 -1.13 -0.34 0.00 0.00 178.44 177.39 1gju h ASN 554 N -0.42 0.99 -0.39 1.25 -1.24 -1.29 -2.62 115.58 111.86 1gju h ASN 554 Ca 0.02 -0.03 -0.15 0.00 0.71 0.00 0.00 56.30 56.86 1gju h ASN 554 Cb 0.44 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1gju h ASN 554 CO -0.11 0.72 -0.34 0.15 -1.29 0.00 0.00 177.43 176.56 1gju h PHE 555 N 1.17 1.10 -0.41 0.67 3.57 -1.17 -2.64 116.94 119.23 1gju h PHE 555 Ca 0.32 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1gju h PHE 555 Cb -0.13 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 1gju h PHE 555 CO -0.01 1.14 0.27 0.82 -2.23 0.00 0.00 178.31 178.30 1gju h ILE 556 N 0.74 1.11 -0.35 1.41 1.08 -0.85 0.60 117.51 121.25 1gju h ILE 556 Ca 0.07 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1gju h ILE 556 Cb 0.93 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 1gju h ILE 556 CO 0.09 0.10 0.12 0.11 -0.69 0.00 0.00 178.15 177.88 1gju h LYS 557 N 0.56 0.26 -0.20 2.37 1.57 -1.46 -1.23 116.57 118.43 1gju h LYS 557 Ca 0.15 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1gju h LYS 557 Cb -0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1gju h LYS 557 CO -0.03 0.17 -0.43 0.87 -0.57 0.00 0.00 179.45 179.46 1gju h LYS 558 N 0.27 0.49 -0.07 3.15 1.57 -1.19 -2.71 116.57 118.07 1gju h LYS 558 Ca 0.16 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1gju h LYS 558 Cb 0.14 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1gju h LYS 558 CO -0.17 0.83 0.01 1.25 -0.57 0.00 0.00 179.45 180.81 1gju h LEU 559 N 0.40 0.12 -0.64 2.94 5.85 -0.57 -1.58 115.31 121.82 1gju h LEU 559 Ca 0.03 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1gju h LEU 559 Cb 0.92 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1gju h LEU 559 CO 0.08 0.35 0.37 0.40 -0.34 0.00 0.00 178.44 179.29 1gju h ILE 560 N -0.12 1.00 -0.74 4.05 1.08 -1.25 -0.19 117.51 121.33 1gju h ILE 560 Ca 0.02 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1gju h ILE 560 Cb 0.28 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 1gju h ILE 560 CO 0.00 0.13 0.37 0.50 -0.69 0.00 0.00 178.15 178.46 1gju h LYS 561 N 0.69 1.06 -0.09 2.37 3.64 -1.34 -1.05 116.57 121.86 1gju h LYS 561 Ca 0.28 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 1gju h LYS 561 Cb 0.13 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1gju h LYS 561 CO -0.16 0.82 -0.76 0.28 -2.27 0.00 0.00 179.45 177.37 1gju h VAL 562 N 1.04 1.36 -0.82 2.00 2.07 -0.89 -2.17 116.25 118.83 1gju h VAL 562 Ca 0.26 -2.13 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 1gju h VAL 562 Cb 0.10 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1gju h VAL 562 CO -0.03 0.65 0.43 -0.09 0.02 0.00 0.00 177.57 178.54 1gju h ARG 563 N 0.33 1.15 0.00 1.57 1.12 -0.86 -1.78 114.38 115.91 1gju h ARG 563 Ca -0.04 -0.14 -0.03 0.00 -1.11 0.00 0.00 59.98 58.66 1gju h ARG 563 Cb 1.35 -0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 31.08 1gju h ARG 563 CO 0.14 0.85 -0.14 0.45 -3.11 0.00 0.00 179.97 178.16 1gju h HIS 564 N 1.15 0.00 0.00 2.20 3.86 -1.07 -2.02 115.15 119.27 1gju h HIS 564 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1gju h HIS 564 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1gju h HIS 564 CO 0.01 0.14 0.00 1.49 0.86 0.00 0.00 177.93 180.43 1gju h GLU 565 N 0.00 0.00 0.00 2.45 4.81 -0.66 -3.08 114.58 118.10 1gju h GLU 565 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1gju h GLU 565 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1gju h GLU 565 CO 0.02 0.00 -0.01 1.19 -0.73 0.00 0.00 179.01 179.48 1gju n PHE 566 N -3.04 0.00 -0.40 0.92 3.01 -0.89 -4.80 117.46 112.25 1gju n PHE 566 Ca 0.00 -0.76 0.32 0.00 1.01 0.00 0.00 57.45 58.02 1gju n PHE 566 Cb 0.28 -0.10 0.60 0.00 -0.01 0.00 0.00 39.48 40.25 1gju n PHE 566 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1gju h LEU 567 N 0.00 0.31 -1.51 4.37 5.85 -1.29 0.35 115.31 123.38 1gju h LEU 567 Ca 0.00 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1gju h LEU 567 Cb 0.80 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1gju h LEU 567 CO 0.00 -0.08 0.14 -0.78 -0.34 0.00 0.00 178.44 177.38 1gju h ASP 568 N 0.19 0.41 0.07 1.25 3.58 -1.87 -0.42 116.42 119.64 1gju h ASP 568 Ca 0.73 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 58.14 1gju h ASP 568 Cb 2.18 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 43.12 1gju h ASP 568 CO -0.35 0.38 -0.04 -0.26 -2.88 0.00 0.00 179.24 176.09 1gju h PHE 569 N 0.46 -0.09 -0.61 0.28 -1.00 -1.30 -0.79 116.94 113.90 1gju h PHE 569 Ca 0.12 -0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.00 1gju h PHE 569 Cb 0.09 0.03 -0.08 0.00 3.61 0.00 0.00 35.95 39.60 1gju h PHE 569 CO 0.00 0.38 0.19 0.28 -1.61 0.00 0.00 178.31 177.55 1gju h VAL 570 N -0.61 0.72 0.09 -0.55 2.07 -1.45 0.15 116.25 116.67 1gju h VAL 570 Ca -0.01 -0.12 -0.29 0.00 0.82 0.00 0.00 66.70 67.10 1gju h VAL 570 Cb 0.51 0.33 0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1gju h VAL 570 CO 0.02 0.06 -1.18 -0.07 0.02 0.00 0.00 177.57 176.42 1gju h LEU 571 N 0.35 0.88 -2.10 2.57 3.38 -1.10 -3.41 115.31 115.88 1gju h LEU 571 Ca 0.31 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1gju h LEU 571 Cb 0.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1gju h LEU 571 CO -0.34 1.59 0.00 0.59 0.09 0.00 0.00 178.44 180.36 1gju n ASN 572 N -3.83 1.24 -4.86 -0.43 3.02 -0.30 -5.04 115.26 105.06 1gju n ASN 572 Ca -0.13 -1.57 -0.32 0.00 -0.03 0.00 0.00 54.58 52.53 1gju n ASN 572 Cb 0.95 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.07 1gju n ASN 572 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gju s GLY 573 N -0.57 2.28 -0.07 7.41 0.00 0.50 -4.94 107.32 111.94 1gju s GLY 573 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 1gju s GLY 573 CO 0.00 0.02 1.30 0.54 0.00 0.00 0.00 173.10 174.95 1gju s LYS 574 N -2.93 4.29 0.16 2.90 1.02 0.11 -4.68 119.74 120.62 1gju s LYS 574 Ca 0.50 1.77 -0.21 0.00 0.02 0.00 0.00 55.97 58.06 1gju s LYS 574 Cb -0.11 -3.65 -0.08 0.00 -0.52 0.00 0.00 37.83 33.48 1gju s LYS 574 CO 0.20 -0.58 0.69 0.12 -0.92 0.00 0.00 175.35 174.86 1gju s PHE 575 N 2.76 3.76 -0.06 3.18 2.19 -1.26 -1.80 117.98 126.75 1gju s PHE 575 Ca 0.59 1.41 -0.02 0.00 0.33 0.00 0.00 56.93 59.24 1gju s PHE 575 Cb -0.26 -2.62 0.04 0.00 -1.31 0.00 0.00 43.02 38.87 1gju s PHE 575 CO 0.21 0.46 0.12 -2.00 1.83 0.00 0.00 175.22 175.84 1gju s GLU 576 N -1.52 0.01 0.19 10.12 2.12 -0.59 -4.99 118.70 124.05 1gju s GLU 576 Ca 0.37 0.42 -0.29 0.00 0.36 0.00 0.00 54.97 55.83 1gju s GLU 576 Cb -0.19 -0.29 -0.08 0.00 0.26 0.00 0.00 34.13 33.83 1gju s GLU 576 CO 0.22 -0.25 0.91 1.21 -0.54 0.00 0.00 175.26 176.80 1gju s ASN 577 N 1.79 7.56 -0.03 -1.70 3.04 -1.26 -1.35 114.94 122.99 1gju s ASN 577 Ca -0.02 1.85 0.04 0.00 0.04 0.00 0.00 52.86 54.77 1gju s ASN 577 Cb -0.12 -2.58 0.07 0.00 -1.54 0.00 0.00 41.25 37.08 1gju s ASN 577 CO -0.05 0.12 0.93 0.18 -3.04 0.00 0.00 177.10 175.25 1gju n LEU 578 N 1.80 0.72 -4.75 3.21 4.77 -0.02 -4.97 117.00 117.77 1gju n LEU 578 Ca -0.02 -1.37 -0.41 0.00 -0.03 0.00 0.00 56.01 54.18 1gju n LEU 578 Cb 0.48 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1gju n LEU 578 CO 0.49 0.33 1.10 -0.89 -1.33 0.00 0.00 177.39 177.09 1gju s THR 579 N -0.74 2.58 0.43 -5.08 2.01 -0.79 -4.50 115.64 109.55 1gju s THR 579 Ca 0.07 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1gju s THR 579 Cb 0.06 -3.32 -0.00 0.00 0.01 0.00 0.00 72.50 69.25 1gju s THR 579 CO 0.01 0.09 0.04 0.35 -0.69 0.00 0.00 174.62 174.42 1gju n THR 580 N 1.94 0.00 -0.21 -0.82 -2.24 0.16 -4.95 114.28 108.17 1gju n THR 580 Ca 0.05 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.65 1gju n THR 580 Cb 0.40 0.55 0.11 0.00 -2.10 0.00 0.00 70.33 69.29 1gju n THR 580 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1gju h LYS 581 N 0.00 0.39 -0.34 -0.78 1.63 -2.03 -3.03 116.57 112.42 1gju h LYS 581 Ca -0.35 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1gju h LYS 581 Cb 1.15 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1gju h LYS 581 CO 0.58 0.26 0.00 -0.40 -3.45 0.00 0.00 179.45 176.44 1gju n ASP 582 N -5.00 3.36 -3.46 4.20 3.85 -1.26 -4.91 116.55 113.32 1gju n ASP 582 Ca 0.09 -2.35 -0.17 0.00 -0.71 0.00 0.00 54.79 51.65 1gju n ASP 582 Cb 0.28 -0.36 -0.12 0.00 -1.35 0.00 0.00 41.12 39.58 1gju n ASP 582 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1gju s LEU 583 N -1.63 -0.18 -0.14 -2.12 2.96 -1.14 -2.70 118.68 113.72 1gju s LEU 583 Ca 0.31 -0.27 -0.26 0.00 -0.22 0.00 0.00 54.13 53.69 1gju s LEU 583 Cb 0.20 0.48 -0.02 0.00 0.50 0.00 0.00 46.19 47.36 1gju s LEU 583 CO 0.14 -0.34 0.87 0.54 -1.32 0.00 0.00 176.35 176.25 1gju s VAL 584 N 2.36 4.87 -0.14 1.68 0.11 -0.72 -0.66 120.40 127.89 1gju s VAL 584 Ca 0.08 1.74 -0.29 0.00 -2.93 0.00 0.00 61.98 60.58 1gju s VAL 584 Cb -0.15 -4.18 0.07 0.00 -1.53 0.00 0.00 36.38 30.59 1gju s VAL 584 CO -0.16 0.05 0.72 -0.32 -3.33 0.00 0.00 175.10 172.05 1gju s MET 585 N 1.95 0.94 0.23 1.54 0.00 -1.26 -1.52 119.30 121.18 1gju s MET 585 Ca 0.41 0.54 -0.21 0.00 0.00 0.00 0.00 55.69 56.44 1gju s MET 585 Cb -0.17 0.45 0.04 0.00 0.00 0.00 0.00 34.83 35.14 1gju s MET 585 CO 0.15 -0.23 0.64 1.52 0.00 0.00 0.00 175.02 177.10 1gju s TYR 586 N -0.55 -0.26 0.06 4.11 1.13 -0.83 -0.84 117.35 120.18 1gju s TYR 586 Ca -0.06 -0.10 -0.00 0.00 -1.41 0.00 0.00 57.07 55.50 1gju s TYR 586 Cb -0.02 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 1gju s TYR 586 CO 0.06 -1.06 -0.04 -1.54 -2.51 0.00 0.00 175.55 170.46 1gju s SER 587 N -2.87 0.70 -0.05 -0.18 1.04 -0.45 -0.95 113.70 110.93 1gju s SER 587 Ca 0.08 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.56 1gju s SER 587 Cb -0.03 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1gju s SER 587 CO -0.01 -0.54 -0.12 -0.31 0.98 0.00 0.00 173.24 173.25 1gju s TYR 588 N -3.67 1.37 -0.05 5.02 1.51 -0.80 -1.54 117.35 119.19 1gju s TYR 588 Ca 0.07 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1gju s TYR 588 Cb 0.06 -0.99 -0.00 0.00 -0.11 0.00 0.00 41.96 40.91 1gju s TYR 588 CO -0.08 -0.23 -0.18 -1.21 -1.11 0.00 0.00 175.55 172.74 1gju s GLU 589 N 0.53 1.93 -0.25 -0.62 8.01 -0.74 -1.59 118.70 125.97 1gju s GLU 589 Ca -0.11 -0.65 -0.04 0.00 0.01 0.00 0.00 54.97 54.18 1gju s GLU 589 Cb -0.14 -1.65 0.14 0.00 -4.31 0.00 0.00 34.13 28.16 1gju s GLU 589 CO 0.03 0.25 0.47 0.21 0.01 0.00 0.00 175.26 176.22 1gju s LYS 590 N 0.06 0.42 -0.94 1.61 2.20 -0.52 -0.71 119.74 121.85 1gju s LYS 590 Ca -0.05 0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 56.39 1gju s LYS 590 Cb -0.12 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.26 1gju s LYS 590 CO 0.03 -0.51 0.80 0.09 -0.36 0.00 0.00 175.35 175.40 1gju n ASN 591 N 5.39 -3.25 0.00 1.43 5.03 -1.26 -3.28 115.26 119.32 1gju n ASN 591 Ca -0.05 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1gju n ASN 591 Cb 0.50 -4.31 0.00 0.00 -1.02 0.00 0.00 39.78 34.95 1gju n ASN 591 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gju n GLY 592 N -1.16 1.43 3.73 7.41 0.00 -1.26 -5.00 105.19 110.34 1gju n GLY 592 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1gju n GLY 592 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gju s GLN 593 N -0.14 2.61 -0.05 1.61 -2.07 -1.20 -5.14 119.66 115.28 1gju s GLN 593 Ca 0.00 -1.17 -0.07 0.00 -1.82 0.00 0.00 55.36 52.31 1gju s GLN 593 Cb 0.00 -2.40 0.01 0.00 -1.09 0.00 0.00 33.01 29.53 1gju s GLN 593 CO 0.00 0.41 0.18 0.21 -1.32 0.00 0.00 175.29 174.76 1gju s LYS 594 N -3.53 0.30 0.07 9.60 2.20 -1.26 -1.44 119.74 125.68 1gju s LYS 594 Ca 0.31 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 56.07 1gju s LYS 594 Cb -0.08 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1gju s LYS 594 CO 0.22 -0.05 -0.22 0.96 -0.36 0.00 0.00 175.35 175.90 1gju s ILE 595 N -0.33 1.76 -0.08 5.43 -4.36 -0.62 -2.55 121.20 120.44 1gju s ILE 595 Ca -0.04 -1.38 0.02 0.00 -0.26 0.00 0.00 60.65 58.99 1gju s ILE 595 Cb -0.03 -1.55 0.01 0.00 1.25 0.00 0.00 42.46 42.14 1gju s ILE 595 CO 0.01 0.11 -0.13 -0.69 0.24 0.00 0.00 174.94 174.48 1gju s VAL 596 N -0.95 1.21 -0.23 8.37 1.01 -0.39 -1.91 120.40 127.50 1gju s VAL 596 Ca 0.08 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1gju s VAL 596 Cb -0.09 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1gju s VAL 596 CO 0.03 0.38 0.13 -0.63 0.00 0.00 0.00 175.10 175.01 1gju s ILE 597 N 0.81 5.12 0.00 2.22 1.09 -0.13 -1.35 121.20 128.97 1gju s ILE 597 Ca -0.12 0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 1gju s ILE 597 Cb -0.15 -3.38 -0.00 0.00 -1.06 0.00 0.00 42.46 37.86 1gju s ILE 597 CO 0.02 0.36 -0.02 0.00 -0.10 0.00 0.00 174.94 175.20 1gju s ALA 598 N 1.06 0.13 -0.11 9.38 0.00 -0.42 -1.96 121.76 129.85 1gju s ALA 598 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 1gju s ALA 598 Cb -0.14 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.02 1gju s ALA 598 CO 0.04 0.00 0.26 0.00 0.00 0.00 0.00 175.76 176.06 1gju s ALA 599 N -0.26 -0.61 -0.43 0.00 0.00 -0.58 -0.13 121.76 119.74 1gju s ALA 599 Ca -0.02 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 1gju s ALA 599 Cb -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1gju s ALA 599 CO -0.00 -0.19 0.59 1.21 0.00 0.00 0.00 175.76 177.38 1gju s ASN 600 N 1.01 6.29 -0.28 0.00 3.04 -0.20 -1.75 114.94 123.06 1gju s ASN 600 Ca -0.07 -0.42 0.10 0.00 0.04 0.00 0.00 52.86 52.51 1gju s ASN 600 Cb -0.08 -2.30 0.52 0.00 -1.54 0.00 0.00 41.25 37.85 1gju s ASN 600 CO -0.07 -0.73 1.48 1.33 -3.04 0.00 0.00 177.10 176.07 1gju n VAL 601 N 5.75 2.54 -3.23 -5.21 0.24 -1.10 0.59 118.33 117.92 1gju n VAL 601 Ca -0.03 -2.55 -0.04 0.00 -2.04 0.00 0.00 64.34 59.68 1gju n VAL 601 Cb 0.48 -0.32 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 1gju n VAL 601 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gju n GLY 602 N -1.02 2.34 0.06 7.63 0.00 -1.20 -4.92 105.19 108.09 1gju n GLY 602 Ca 0.33 -2.17 0.10 0.00 0.00 0.00 0.00 46.02 44.28 1gju n GLY 602 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1gju n LYS 603 N -1.06 0.64 -4.45 1.61 3.00 -1.26 -4.61 118.16 112.03 1gju n LYS 603 Ca 0.02 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.31 58.00 1gju n LYS 603 Cb 0.12 -1.67 -0.12 0.00 0.00 0.00 0.00 35.03 33.36 1gju n LYS 603 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1gju s GLU 604 N -3.38 1.75 0.87 1.64 0.41 -1.26 -4.83 118.70 113.90 1gju s GLU 604 Ca -0.05 -1.17 -0.10 0.00 -0.41 0.00 0.00 54.97 53.24 1gju s GLU 604 Cb 0.11 -2.07 0.12 0.00 -1.78 0.00 0.00 34.13 30.52 1gju s GLU 604 CO 0.85 0.49 1.14 -1.25 -0.49 0.00 0.00 175.26 176.00 1gju s PRO 605 N -1.89 1.38 0.04 0.39 0.04 -1.26 -4.66 135.00 129.03 1gju s PRO 605 Ca 0.16 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1gju s PRO 605 Cb -0.10 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1gju s PRO 605 CO 0.07 -2.35 -0.03 0.15 0.04 0.00 0.00 177.00 174.88 1gju s LYS 606 N -4.67 0.49 0.09 4.56 1.02 -0.51 -4.99 119.74 115.74 1gju s LYS 606 Ca 0.66 -0.98 0.09 0.00 0.02 0.00 0.00 55.97 55.76 1gju s LYS 606 Cb -0.22 0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 1gju s LYS 606 CO 0.57 -0.08 -0.23 -2.00 -0.92 0.00 0.00 175.35 172.68 1gju s GLU 607 N -2.94 1.35 0.19 1.68 2.12 -1.26 0.06 118.70 119.90 1gju s GLU 607 Ca -0.02 -1.17 -0.08 0.00 0.36 0.00 0.00 54.97 54.07 1gju s GLU 607 Cb 0.01 -1.65 -0.02 0.00 0.26 0.00 0.00 34.13 32.73 1gju s GLU 607 CO -0.06 0.40 0.28 0.96 -0.54 0.00 0.00 175.26 176.29 1gju s ILE 608 N -1.01 0.04 0.29 -3.70 -4.36 -0.37 -4.99 121.20 107.11 1gju s ILE 608 Ca 0.10 -1.56 -0.29 0.00 -0.26 0.00 0.00 60.65 58.64 1gju s ILE 608 Cb -0.10 -2.07 -0.13 0.00 1.25 0.00 0.00 42.46 41.42 1gju s ILE 608 CO 0.04 -0.19 1.33 0.41 0.24 0.00 0.00 174.94 176.77 1gju n THR 609 N -0.25 1.53 -0.90 8.37 -1.04 -1.26 -1.54 114.28 119.19 1gju n THR 609 Ca -0.04 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1gju n THR 609 Cb 0.63 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 1gju n THR 609 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gju n GLY 610 N 1.42 1.83 0.00 3.41 0.00 0.21 -4.62 105.19 107.44 1gju n GLY 610 Ca 0.08 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1gju n GLY 610 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gju n GLY 611 N 5.00 0.53 3.68 -0.02 0.00 -0.34 -4.76 105.19 109.27 1gju n GLY 611 Ca 0.00 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 1gju n GLY 611 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gju s ARG 612 N -0.17 4.19 -0.05 1.61 3.52 -0.93 -2.48 118.95 124.63 1gju s ARG 612 Ca 0.00 0.18 0.06 0.00 -0.13 0.00 0.00 55.73 55.84 1gju s ARG 612 Cb 0.00 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1gju s ARG 612 CO 0.00 0.00 -0.25 0.08 -0.81 0.00 0.00 175.30 174.32 1gju s VAL 613 N 1.18 2.07 -0.03 7.11 1.01 -0.11 -0.53 120.40 131.09 1gju s VAL 613 Ca 0.19 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1gju s VAL 613 Cb -0.14 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1gju s VAL 613 CO 0.07 0.57 -0.25 0.86 0.00 0.00 0.00 175.10 176.35 1gju s TRP 614 N -0.21 2.38 0.00 5.22 -0.00 -0.24 -0.49 118.94 125.60 1gju s TRP 614 Ca -0.02 -0.53 0.01 0.00 -0.00 0.00 0.00 56.10 55.56 1gju s TRP 614 Cb -0.13 -1.54 0.02 0.00 -0.00 0.00 0.00 33.47 31.82 1gju s TRP 614 CO 0.03 -0.10 0.74 0.27 -0.00 0.00 0.00 176.95 177.90 1gju n ASN 615 N 2.61 -0.31 0.00 5.86 6.94 -1.26 -0.41 115.26 128.69 1gju n ASN 615 Ca -0.17 -1.47 0.00 0.00 -0.02 0.00 0.00 54.58 52.92 1gju n ASN 615 Cb 0.51 0.08 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1gju n ASN 615 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gju n GLY 616 N 0.02 1.92 3.02 4.83 0.00 -1.26 -5.04 105.19 108.68 1gju n GLY 616 Ca -0.10 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1gju n GLY 616 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gju s LYS 617 N 0.00 0.42 -0.01 1.61 3.01 -1.26 -5.04 119.74 118.47 1gju s LYS 617 Ca 0.00 -0.78 -0.19 0.00 -1.01 0.00 0.00 55.97 53.99 1gju s LYS 617 Cb 0.00 0.15 -0.05 0.00 -1.01 0.00 0.00 37.83 36.92 1gju s LYS 617 CO 0.00 -0.08 0.55 -1.58 0.51 0.00 0.00 175.35 174.75 1gju s TRP 618 N -2.22 3.68 0.34 3.18 0.52 -1.26 -4.23 118.94 118.95 1gju s TRP 618 Ca -0.09 1.14 0.07 0.00 0.02 0.00 0.00 56.10 57.25 1gju s TRP 618 Cb -0.04 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1gju s TRP 618 CO -0.04 0.40 0.28 -1.54 0.02 0.00 0.00 176.95 176.07 1gju s SER 619 N -0.34 1.77 -0.14 2.95 1.04 0.36 -4.98 113.70 114.35 1gju s SER 619 Ca 0.29 -1.77 -0.04 0.00 0.48 0.00 0.00 55.95 54.91 1gju s SER 619 Cb -0.18 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.58 1gju s SER 619 CO 0.16 -1.07 0.25 -1.81 0.98 0.00 0.00 173.24 171.75 1gju s ASP 620 N -3.39 0.58 -0.13 7.02 1.11 -1.26 -0.93 116.67 119.67 1gju s ASP 620 Ca 0.40 0.39 -0.29 0.00 0.18 0.00 0.00 52.55 53.24 1gju s ASP 620 Cb 0.02 0.62 0.07 0.00 1.07 0.00 0.00 42.92 44.70 1gju s ASP 620 CO 0.28 -0.26 0.70 -1.83 1.18 0.00 0.00 175.17 175.24 1gju s GLU 621 N 2.40 0.98 0.28 8.23 1.03 -1.03 -5.03 118.70 125.55 1gju s GLU 621 Ca 0.03 0.52 0.02 0.00 0.03 0.00 0.00 54.97 55.57 1gju s GLU 621 Cb -0.13 0.47 0.40 0.00 -0.80 0.00 0.00 34.13 34.07 1gju s GLU 621 CO -0.09 -0.25 1.72 1.49 -1.33 0.00 0.00 175.26 176.80 1gju h GLU 622 N 3.69 0.48 -5.65 -4.83 4.57 -1.92 -0.90 114.58 110.02 1gju h GLU 622 Ca -0.28 -0.18 -0.61 0.00 -1.18 0.00 0.00 59.36 57.11 1gju h GLU 622 Cb 1.15 -0.03 -0.31 0.00 -0.16 0.00 0.00 28.75 29.40 1gju h GLU 622 CO 0.27 0.70 -0.85 -1.59 -1.18 0.00 0.00 179.01 176.36 1gju s LYS 623 N -4.48 1.98 -0.19 1.92 -2.85 -1.26 0.66 119.74 115.51 1gju s LYS 623 Ca -0.07 -0.72 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 1gju s LYS 623 Cb 0.14 -1.74 -0.01 0.00 -2.06 0.00 0.00 37.83 34.16 1gju s LYS 623 CO 0.79 0.32 -0.07 0.08 0.10 0.00 0.00 175.35 176.58 1gju s VAL 624 N -0.13 3.28 -0.33 1.79 1.01 -0.59 -4.84 120.40 120.59 1gju s VAL 624 Ca -0.01 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1gju s VAL 624 Cb -0.11 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1gju s VAL 624 CO 0.02 0.46 0.19 -0.69 0.00 0.00 0.00 175.10 175.08 1gju s VAL 625 N 1.13 4.80 -0.41 2.92 1.01 -1.26 -1.24 120.40 127.34 1gju s VAL 625 Ca 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1gju s VAL 625 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1gju s VAL 625 CO -0.01 -0.03 0.35 -0.76 0.00 0.00 0.00 175.10 174.66 1gju s LEU 626 N 1.63 5.01 0.98 3.92 1.43 0.11 -4.94 118.68 126.82 1gju s LEU 626 Ca 0.05 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 1gju s LEU 626 Cb -0.18 -2.25 0.18 0.00 0.03 0.00 0.00 46.19 43.97 1gju s LEU 626 CO 0.08 -0.50 1.16 -0.54 0.23 0.00 0.00 176.35 176.78 1gju s LYS 627 N 1.86 0.53 0.21 1.70 1.02 -1.26 -1.43 119.74 122.38 1gju s LYS 627 Ca 0.08 0.11 -0.32 0.00 0.02 0.00 0.00 55.97 55.85 1gju s LYS 627 Cb -0.18 -1.79 -0.13 0.00 -0.52 0.00 0.00 37.83 35.21 1gju s LYS 627 CO 0.11 -2.57 1.61 -2.30 -0.92 0.00 0.00 175.35 171.28 1gju n PRO 628 N -3.99 2.43 -2.41 -1.68 -0.02 -1.26 -2.32 135.00 125.76 1gju n PRO 628 Ca 0.09 0.87 -0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1gju n PRO 628 Cb 0.59 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1gju n PRO 628 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gju n LEU 629 N 3.22 -1.81 -4.56 2.45 4.77 0.20 -5.03 117.00 116.24 1gju n LEU 629 Ca 0.14 -0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 1gju n LEU 629 Cb 0.32 -1.99 -0.09 0.00 -2.33 0.00 0.00 43.42 39.33 1gju n LEU 629 CO 0.64 -0.04 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.64 1gju s GLU 630 N -4.84 2.00 0.23 3.23 2.02 -0.98 -4.94 118.70 115.41 1gju s GLU 630 Ca 0.06 -1.43 -0.03 0.00 0.02 0.00 0.00 54.97 53.59 1gju s GLU 630 Cb -0.03 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 1gju s GLU 630 CO 0.08 0.39 0.24 -0.59 0.02 0.00 0.00 175.26 175.40 1gju s PHE 631 N -2.04 1.00 -0.10 1.61 -0.71 -1.26 -1.03 117.98 115.46 1gju s PHE 631 Ca 0.27 -1.24 -0.30 0.00 -1.04 0.00 0.00 56.93 54.63 1gju s PHE 631 Cb -0.07 -0.37 0.11 0.00 -1.21 0.00 0.00 43.02 41.48 1gju s PHE 631 CO 0.16 -0.76 0.94 0.00 -1.34 0.00 0.00 175.22 174.22 1gju s ALA 632 N -4.04 -1.89 -0.31 1.99 0.00 0.81 -4.77 121.76 113.56 1gju s ALA 632 Ca 0.35 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.64 1gju s ALA 632 Cb 0.05 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1gju s ALA 632 CO 0.13 -0.46 0.02 -1.17 0.00 0.00 0.00 175.76 174.27 1gju s LEU 633 N -1.65 4.00 -0.21 0.00 2.96 0.45 -1.30 118.68 122.93 1gju s LEU 633 Ca 0.00 -1.30 -0.11 0.00 -0.22 0.00 0.00 54.13 52.51 1gju s LEU 633 Cb -0.01 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1gju s LEU 633 CO -0.02 -0.28 0.18 -0.69 -1.32 0.00 0.00 176.35 174.23 1gju s VAL 634 N 1.26 5.36 -0.31 1.68 1.01 -0.46 -1.08 120.40 127.87 1gju s VAL 634 Ca -0.04 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1gju s VAL 634 Cb -0.20 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1gju s VAL 634 CO -0.01 0.39 0.01 -0.69 0.00 0.00 0.00 175.10 174.80 1gju s VAL 635 N 0.66 2.99 -2.99 2.92 1.01 0.31 -1.26 120.40 124.03 1gju s VAL 635 Ca 0.10 -1.45 0.24 0.00 0.00 0.00 0.00 61.98 60.87 1gju s VAL 635 Cb -0.12 -2.75 0.19 0.00 0.00 0.00 0.00 36.38 33.70 1gju s VAL 635 CO 0.02 -0.15 1.26 0.00 0.00 0.00 0.00 175.10 176.22