#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggj n SER 28 N 0.00 0.00 -4.60 1.67 3.41 -1.26 -4.83 113.62 108.01 1ggj n SER 28 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1ggj n SER 28 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1ggj n SER 28 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1ggj s LEU 29 N 0.00 2.84 0.69 1.04 0.05 -1.26 -5.11 118.68 116.93 1ggj s LEU 29 Ca 0.00 -1.30 -0.17 0.00 0.05 0.00 0.00 54.13 52.71 1ggj s LEU 29 Cb 0.00 -0.95 -0.03 0.00 -2.05 0.00 0.00 46.19 43.16 1ggj s LEU 29 CO 0.00 -0.37 0.76 0.00 -0.55 0.00 0.00 176.35 176.19 1ggj n ALA 30 N -0.92 -0.74 -0.77 1.48 0.00 -1.26 -4.94 120.51 113.36 1ggj n ALA 30 Ca -0.05 -0.16 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 1ggj n ALA 30 Cb 0.66 -1.99 0.16 0.00 0.00 0.00 0.00 19.45 18.28 1ggj n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ggj s PRO 31 N -2.90 1.14 0.19 0.00 0.04 -1.26 -4.92 135.00 127.29 1ggj s PRO 31 Ca 0.70 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 1ggj s PRO 31 Cb -0.37 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.54 1ggj s PRO 31 CO 0.53 -2.55 1.74 1.49 0.04 0.00 0.00 177.00 178.25 1ggj h GLU 32 N -1.72 1.03 0.00 4.56 4.57 -2.04 -3.16 114.58 117.82 1ggj h GLU 32 Ca -0.43 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 1ggj h GLU 32 Cb 1.27 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1ggj h GLU 32 CO 0.42 0.87 0.00 -0.40 -1.18 0.00 0.00 179.01 178.72 1ggj n ASP 33 N -4.37 0.00 -1.27 1.04 5.75 -1.26 -4.88 116.55 111.57 1ggj n ASP 33 Ca 0.05 -0.16 -0.13 0.00 -0.01 0.00 0.00 54.79 54.55 1ggj n ASP 33 Cb 0.19 -0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1ggj n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggj n GLY 34 N 0.02 0.39 0.40 6.12 0.00 -1.19 -4.88 105.19 106.04 1ggj n GLY 34 Ca 0.09 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1ggj n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggj n SER 35 N -0.27 1.20 0.14 1.61 3.41 -1.26 -3.21 113.62 115.24 1ggj n SER 35 Ca -0.14 -1.56 0.01 0.00 -0.26 0.00 0.00 58.87 56.92 1ggj n SER 35 Cb 0.54 -0.06 0.10 0.00 -0.26 0.00 0.00 64.21 64.53 1ggj n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1ggj h HIS 36 N 1.67 0.00 -3.34 7.33 2.07 -1.90 -3.45 115.15 117.53 1ggj h HIS 36 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1ggj h HIS 36 Cb 0.36 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 30.13 1ggj h HIS 36 CO 0.06 0.57 -0.65 0.50 -3.07 0.00 0.00 177.93 175.34 1ggj s ARG 37 N -3.14 3.71 0.31 5.12 3.52 -1.20 -4.99 118.95 122.28 1ggj s ARG 37 Ca 0.02 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 54.84 1ggj s ARG 37 Cb 0.09 -3.01 -0.10 0.00 -1.56 0.00 0.00 34.95 30.37 1ggj s ARG 37 CO 0.74 0.19 1.42 -2.14 -0.81 0.00 0.00 175.30 174.70 1ggj s PRO 38 N 0.53 4.25 0.37 5.12 0.02 -1.26 -4.95 135.00 139.07 1ggj s PRO 38 Ca -0.02 2.35 -0.28 0.00 0.02 0.00 0.00 61.00 63.07 1ggj s PRO 38 Cb -0.14 -3.06 -0.11 0.00 0.02 0.00 0.00 34.50 31.21 1ggj s PRO 38 CO 0.02 -0.38 1.45 0.00 -0.33 0.00 0.00 177.00 177.76 1ggj s ALA 39 N -0.64 3.56 -1.34 -1.55 0.00 -1.26 -4.89 121.76 115.63 1ggj s ALA 39 Ca 0.55 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.95 1ggj s ALA 39 Cb -0.43 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.21 1ggj s ALA 39 CO 0.51 -0.97 2.45 0.00 0.00 0.00 0.00 175.76 177.75 1ggj n ALA 40 N 0.55 6.89 -3.05 0.00 0.00 -1.26 -4.84 120.51 118.80 1ggj n ALA 40 Ca 0.01 -4.02 -0.11 0.00 0.00 0.00 0.00 53.44 49.32 1ggj n ALA 40 Cb 0.40 -2.82 -0.05 0.00 0.00 0.00 0.00 19.45 16.97 1ggj n ALA 40 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggj s GLU 41 N -0.85 1.02 0.18 0.00 0.41 -1.24 -4.83 118.70 113.38 1ggj s GLU 41 Ca 0.56 -0.60 -0.32 0.00 -0.41 0.00 0.00 54.97 54.20 1ggj s GLU 41 Cb 0.19 0.45 -0.12 0.00 -1.78 0.00 0.00 34.13 32.87 1ggj s GLU 41 CO -0.09 -0.38 1.73 -2.30 -0.49 0.00 0.00 175.26 173.73 1ggj n PRO 42 N 0.02 2.69 -4.07 0.39 -0.02 -1.26 -5.00 135.00 127.75 1ggj n PRO 42 Ca -0.17 0.97 -0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1ggj n PRO 42 Cb 0.62 -2.82 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 1ggj n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ggj s THR 43 N 1.55 0.53 0.68 3.45 -4.23 -0.94 -4.96 115.64 111.71 1ggj s THR 43 Ca 0.78 -1.15 -0.15 0.00 -1.18 0.00 0.00 61.69 59.98 1ggj s THR 43 Cb -0.53 -0.69 0.01 0.00 1.34 0.00 0.00 72.50 72.64 1ggj s THR 43 CO 0.34 -0.43 1.16 -2.16 -0.54 0.00 0.00 174.62 172.99 1ggj s PRO 44 N -1.78 2.57 0.25 3.99 0.04 -1.26 -3.16 135.00 135.66 1ggj s PRO 44 Ca -0.08 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1ggj s PRO 44 Cb -0.09 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 1ggj s PRO 44 CO -0.00 -1.46 1.29 -2.30 0.04 0.00 0.00 177.00 174.57 1ggj n PRO 45 N -2.42 1.81 0.00 0.56 -0.02 -1.26 -1.97 135.00 131.70 1ggj n PRO 45 Ca 0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1ggj n PRO 45 Cb 0.51 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1ggj n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ggj n GLY 46 N 1.76 2.98 0.28 -1.23 0.00 -1.26 -4.87 105.19 102.84 1ggj n GLY 46 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1ggj n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggj h ALA 47 N 0.00 0.66 -2.61 4.61 0.00 -1.76 -3.45 119.26 116.71 1ggj h ALA 47 Ca 0.00 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 1ggj h ALA 47 Cb 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 17.79 17.46 1ggj h ALA 47 CO 0.00 0.68 -0.71 -0.65 0.00 0.00 0.00 179.25 178.56 1ggj s GLN 48 N -4.58 0.74 0.50 0.00 -1.52 -1.26 -5.06 119.66 108.47 1ggj s GLN 48 Ca -0.11 -1.13 -0.23 0.00 -1.95 0.00 0.00 55.36 51.94 1ggj s GLN 48 Cb 0.12 -0.29 -0.06 0.00 -0.22 0.00 0.00 33.01 32.55 1ggj s GLN 48 CO 0.87 0.02 1.35 -2.14 -0.25 0.00 0.00 175.29 175.15 1ggj s PRO 49 N -2.95 3.44 0.75 2.91 0.02 -1.26 -4.98 135.00 132.92 1ggj s PRO 49 Ca 0.04 2.23 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 1ggj s PRO 49 Cb -0.01 -2.43 0.04 0.00 0.02 0.00 0.00 34.50 32.12 1ggj s PRO 49 CO -0.02 -0.95 1.09 0.95 -0.33 0.00 0.00 177.00 177.73 1ggj s THR 50 N -1.30 3.39 0.20 0.99 -4.23 -1.26 -4.62 115.64 108.82 1ggj s THR 50 Ca 0.66 0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 61.46 1ggj s THR 50 Cb -0.40 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.22 1ggj s THR 50 CO 0.49 -0.59 0.52 0.00 -0.54 0.00 0.00 174.62 174.50 1ggj s ALA 51 N -3.17 -0.85 0.27 3.99 0.00 -1.26 -4.98 121.76 115.75 1ggj s ALA 51 Ca 0.60 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1ggj s ALA 51 Cb -0.14 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 23.71 1ggj s ALA 51 CO 0.54 -0.82 1.04 -2.30 0.00 0.00 0.00 175.76 174.23 1ggj n PRO 52 N -0.35 1.33 -0.28 0.00 -0.02 -1.26 -4.65 135.00 129.77 1ggj n PRO 52 Ca -0.09 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 61.94 1ggj n PRO 52 Cb 0.62 -1.86 0.23 0.00 -0.02 0.00 0.00 33.50 32.46 1ggj n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ggj h GLY 53 N 2.29 1.31 2.00 -1.23 0.00 -0.99 -0.94 103.07 105.50 1ggj h GLY 53 Ca -0.40 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1ggj h GLY 53 CO 0.63 -0.12 0.00 1.48 0.00 0.00 0.00 176.54 178.53 1ggj h SER 54 N 0.49 0.00 0.27 0.19 4.64 -1.83 0.03 113.55 117.33 1ggj h SER 54 Ca 0.46 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.45 1ggj h SER 54 Cb 0.74 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 1ggj h SER 54 CO -0.42 0.00 -1.92 0.18 -0.87 0.00 0.00 176.83 173.80 1ggj n LEU 55 N -2.90 1.79 -0.05 5.97 4.77 -0.74 -3.38 117.00 122.46 1ggj n LEU 55 Ca 0.01 0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 1ggj n LEU 55 Cb 0.31 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 1ggj n LEU 55 CO 0.26 0.65 0.37 0.50 -1.33 0.00 0.00 177.39 177.84 1ggj h LYS 56 N 0.04 0.77 -2.29 3.23 1.63 -0.94 -3.40 116.57 115.60 1ggj h LYS 56 Ca -0.38 -0.55 -0.58 0.00 -0.85 0.00 0.00 60.65 58.29 1ggj h LYS 56 Cb 2.03 0.09 -0.39 0.00 -0.60 0.00 0.00 32.23 33.36 1ggj h LYS 56 CO 0.07 1.17 -0.98 0.00 -3.45 0.00 0.00 179.45 176.26 1ggj n ALA 57 N -2.57 2.80 0.23 5.00 0.00 -0.03 -3.66 120.51 122.28 1ggj n ALA 57 Ca -0.06 -3.33 0.07 0.00 0.00 0.00 0.00 53.44 50.12 1ggj n ALA 57 Cb 0.65 -0.79 0.53 0.00 0.00 0.00 0.00 19.45 19.84 1ggj n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ggj h PRO 58 N 5.08 0.00 0.00 0.00 0.13 -1.74 -2.13 132.00 133.35 1ggj h PRO 58 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1ggj h PRO 58 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ggj h PRO 58 CO 0.43 0.21 -0.19 -0.25 -0.23 0.00 0.00 178.00 177.98 1ggj n ASP 59 N -4.04 0.27 -4.61 1.44 8.00 -1.26 -4.76 116.55 111.60 1ggj n ASP 59 Ca -0.02 0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.31 1ggj n ASP 59 Cb 0.29 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1ggj n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ggj s THR 60 N -3.02 4.45 0.28 -3.53 2.01 -0.80 -5.01 115.64 110.01 1ggj s THR 60 Ca 0.12 1.28 0.03 0.00 0.31 0.00 0.00 61.69 63.43 1ggj s THR 60 Cb 0.18 -4.44 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 1ggj s THR 60 CO 0.60 -0.69 0.03 -0.13 -0.69 0.00 0.00 174.62 173.74 1ggj s ARG 61 N 3.83 1.49 0.10 4.92 0.52 -1.26 -5.03 118.95 123.51 1ggj s ARG 61 Ca 0.42 -1.79 -0.26 0.00 -0.52 0.00 0.00 55.73 53.58 1ggj s ARG 61 Cb -0.10 -0.70 0.08 0.00 0.52 0.00 0.00 34.95 34.75 1ggj s ARG 61 CO 0.22 -0.15 0.94 0.54 0.02 0.00 0.00 175.30 176.87 1ggj s ASN 62 N -3.39 -0.24 0.27 0.23 2.20 -1.26 -5.01 114.94 107.74 1ggj s ASN 62 Ca 0.33 -0.26 -0.03 0.00 -0.94 0.00 0.00 52.86 51.96 1ggj s ASN 62 Cb 0.07 0.45 0.37 0.00 -2.00 0.00 0.00 41.25 40.14 1ggj s ASN 62 CO 0.12 -0.79 1.90 -0.08 -2.94 0.00 0.00 177.10 175.31 1ggj h GLU 63 N 2.00 1.19 -0.18 3.55 4.81 -1.97 -1.90 114.58 122.08 1ggj h GLU 63 Ca -0.24 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1ggj h GLU 63 Cb 1.23 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1ggj h GLU 63 CO 0.27 0.79 0.01 -0.22 -0.73 0.00 0.00 179.01 179.14 1ggj h LYS 64 N 1.23 0.31 -0.91 1.92 1.63 -1.96 -1.44 116.57 117.34 1ggj h LYS 64 Ca 0.40 -0.09 0.05 0.00 -0.85 0.00 0.00 60.65 60.16 1ggj h LYS 64 Cb 0.05 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.59 1ggj h LYS 64 CO -0.14 0.50 0.58 -0.07 -3.45 0.00 0.00 179.45 176.87 1ggj h LEU 65 N 0.08 0.95 -0.53 5.20 3.38 -1.87 -1.33 115.31 121.18 1ggj h LEU 65 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1ggj h LEU 65 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ggj h LEU 65 CO 0.01 0.63 -0.37 0.78 0.09 0.00 0.00 178.44 179.57 1ggj h ASN 66 N 1.10 0.83 0.42 -0.43 2.35 -1.31 -2.95 115.58 115.59 1ggj h ASN 66 Ca 0.38 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1ggj h ASN 66 Cb 0.09 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1ggj h ASN 66 CO -0.15 1.11 -0.05 0.77 -1.65 0.00 0.00 177.43 177.46 1ggj h SER 67 N 0.65 0.00 0.50 5.81 4.64 -0.14 -0.39 113.55 124.62 1ggj h SER 67 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ggj h SER 67 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1ggj h SER 67 CO 0.08 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.27 1ggj n LEU 68 N -3.32 0.00 0.27 5.97 4.77 -0.88 -3.94 117.00 119.88 1ggj n LEU 68 Ca -0.02 0.26 0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1ggj n LEU 68 Cb 0.20 -0.26 0.70 0.00 -2.33 0.00 0.00 43.42 41.73 1ggj n LEU 68 CO 0.26 -0.01 1.08 -0.08 -1.33 0.00 0.00 177.39 177.31 1ggj h GLU 69 N 0.00 0.00 0.00 3.23 4.57 -1.16 -2.12 114.58 119.11 1ggj h GLU 69 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ggj h GLU 69 Cb 0.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1ggj h GLU 69 CO 0.00 0.00 -0.07 0.38 -1.18 0.00 0.00 179.01 178.14 1ggj h ASP 70 N 0.00 0.00 -0.01 1.04 -0.00 -1.80 -3.03 116.42 112.62 1ggj h ASP 70 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ggj h ASP 70 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.34 1ggj h ASP 70 CO 0.00 0.07 -0.39 1.33 -0.00 0.00 0.00 179.24 180.25 1ggj n VAL 71 N -4.25 0.00 -2.13 4.15 0.24 -0.82 -4.97 118.33 110.54 1ggj n VAL 71 Ca -0.03 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 1ggj n VAL 71 Cb 0.15 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 1ggj n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ggj s ARG 72 N -1.88 4.34 -0.09 7.34 0.52 -1.03 -5.01 118.95 123.13 1ggj s ARG 72 Ca 0.10 2.17 0.03 0.00 -0.52 0.00 0.00 55.73 57.51 1ggj s ARG 72 Cb 0.11 -3.14 0.01 0.00 0.52 0.00 0.00 34.95 32.45 1ggj s ARG 72 CO 0.41 -0.30 -0.19 0.21 0.02 0.00 0.00 175.30 175.46 1ggj s LYS 73 N -0.49 2.48 0.00 3.54 2.20 -1.26 -5.02 119.74 121.20 1ggj s LYS 73 Ca 0.56 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1ggj s LYS 73 Cb -0.39 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 1ggj s LYS 73 CO 0.42 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1ggj n GLY 74 N 3.79 0.38 0.00 5.54 0.00 -1.26 -5.06 105.19 108.58 1ggj n GLY 74 Ca -0.20 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1ggj n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggj n SER 75 N 0.00 0.00 -4.73 1.61 3.41 -1.26 -5.08 113.62 107.57 1ggj n SER 75 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1ggj n SER 75 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1ggj n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ggj s GLU 76 N -0.77 4.13 0.00 4.33 2.02 -1.26 -2.23 118.70 124.92 1ggj s GLU 76 Ca 0.00 2.59 0.00 0.00 0.02 0.00 0.00 54.97 57.58 1ggj s GLU 76 Cb 0.00 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1ggj s GLU 76 CO 0.00 -0.72 0.00 0.09 0.02 0.00 0.00 175.26 174.65 1ggj n ASN 77 N 3.56 -3.40 -4.73 -0.19 3.02 -1.26 -5.03 115.26 107.23 1ggj n ASN 77 Ca 0.14 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.39 1ggj n ASN 77 Cb 0.36 -0.96 -0.07 0.00 -0.61 0.00 0.00 39.78 38.50 1ggj n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ggj s TYR 78 N -1.88 3.08 0.36 3.10 2.02 -0.95 -5.09 117.35 118.00 1ggj s TYR 78 Ca 0.00 0.03 -0.26 0.00 -0.37 0.00 0.00 57.07 56.47 1ggj s TYR 78 Cb 0.00 -1.58 -0.09 0.00 -0.40 0.00 0.00 41.96 39.89 1ggj s TYR 78 CO 0.00 0.50 1.10 0.00 -1.57 0.00 0.00 175.55 175.58 1ggj s ALA 79 N -1.33 3.21 0.01 3.71 0.00 -1.26 -5.00 121.76 121.10 1ggj s ALA 79 Ca 0.27 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1ggj s ALA 79 Cb -0.12 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1ggj s ALA 79 CO 0.19 -0.30 1.38 -1.17 0.00 0.00 0.00 175.76 175.86 1ggj s LEU 80 N -2.22 4.32 0.35 0.00 2.96 -1.26 -5.00 118.68 117.83 1ggj s LEU 80 Ca 0.53 2.11 0.03 0.00 -0.22 0.00 0.00 54.13 56.59 1ggj s LEU 80 Cb -0.28 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.81 1ggj s LEU 80 CO 0.35 -0.69 0.12 0.42 -1.32 0.00 0.00 176.35 175.23 1ggj s THR 81 N 2.18 0.68 1.08 3.68 -4.23 -1.26 -1.71 115.64 116.06 1ggj s THR 81 Ca 0.63 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.96 1ggj s THR 81 Cb -0.31 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.25 1ggj s THR 81 CO 0.27 0.00 1.27 0.42 -0.54 0.00 0.00 174.62 176.03 1ggj s THR 82 N -3.38 1.83 -0.74 3.99 -4.23 0.19 -4.88 115.64 108.43 1ggj s THR 82 Ca 0.31 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.07 1ggj s THR 82 Cb 0.05 -2.82 0.25 0.00 1.34 0.00 0.00 72.50 71.32 1ggj s THR 82 CO 0.15 0.00 1.75 0.59 -0.54 0.00 0.00 174.62 176.57 1ggj n ASN 83 N -4.20 0.54 -0.70 3.99 3.02 -1.26 -1.97 115.26 114.68 1ggj n ASN 83 Ca 0.16 0.58 0.10 0.00 -0.03 0.00 0.00 54.58 55.39 1ggj n ASN 83 Cb 0.59 -0.71 0.31 0.00 -0.61 0.00 0.00 39.78 39.36 1ggj n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ggj n GLN 84 N -2.04 1.91 -0.74 3.52 1.13 -1.26 -4.94 117.38 114.96 1ggj n GLN 84 Ca 0.05 -1.38 0.00 0.00 -1.94 0.00 0.00 57.00 53.72 1ggj n GLN 84 Cb 0.33 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.27 1ggj n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ggj n GLY 85 N 1.20 0.56 3.67 1.08 0.00 -0.83 -5.05 105.19 105.83 1ggj n GLY 85 Ca 0.16 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 1ggj n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggj s VAL 86 N -2.00 5.18 0.28 1.61 1.01 -1.26 -4.81 120.40 120.40 1ggj s VAL 86 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1ggj s VAL 86 Cb 0.00 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 1ggj s VAL 86 CO 0.00 0.24 1.47 -0.13 0.00 0.00 0.00 175.10 176.68 1ggj s ARG 87 N 1.35 4.23 -0.15 2.72 0.52 -1.26 -0.63 118.95 125.72 1ggj s ARG 87 Ca 0.21 2.39 -0.15 0.00 -0.52 0.00 0.00 55.73 57.65 1ggj s ARG 87 Cb -0.15 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 1ggj s ARG 87 CO 0.08 -0.46 0.33 0.42 0.02 0.00 0.00 175.30 175.70 1ggj s ILE 88 N -0.20 5.27 -0.09 1.52 1.01 -0.69 -4.90 121.20 123.12 1ggj s ILE 88 Ca 0.59 0.64 -0.16 0.00 0.00 0.00 0.00 60.65 61.72 1ggj s ILE 88 Cb -0.44 -3.67 -0.28 0.00 0.01 0.00 0.00 42.46 38.08 1ggj s ILE 88 CO 0.47 0.38 0.60 0.00 0.00 0.00 0.00 174.94 176.39 1ggj h ALA 89 N 6.62 0.15 -3.38 9.38 0.00 -1.94 -3.46 119.26 126.63 1ggj h ALA 89 Ca -0.42 -1.07 -0.58 0.00 0.00 0.00 0.00 54.91 52.85 1ggj h ALA 89 Cb 1.17 0.45 -0.39 0.00 0.00 0.00 0.00 17.79 19.01 1ggj h ALA 89 CO 0.75 0.82 -0.77 0.34 0.00 0.00 0.00 179.25 180.39 1ggj s ASP 90 N -7.06 3.69 -0.31 0.00 3.68 -1.26 -4.97 116.67 110.43 1ggj s ASP 90 Ca -0.19 -1.28 0.08 0.00 2.13 0.00 0.00 52.55 53.29 1ggj s ASP 90 Cb 0.04 -0.94 0.68 0.00 -1.45 0.00 0.00 42.92 41.26 1ggj s ASP 90 CO 0.78 -0.32 1.74 -0.67 0.13 0.00 0.00 175.17 176.83 1ggj n ASP 91 N 4.81 4.52 -0.00 -0.34 4.64 -1.26 -4.10 116.55 124.82 1ggj n ASP 91 Ca -0.07 -3.16 0.05 0.00 -1.38 0.00 0.00 54.79 50.23 1ggj n ASP 91 Cb 0.44 -0.74 -0.06 0.00 -1.04 0.00 0.00 41.12 39.72 1ggj n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ggj n GLN 92 N -0.21 2.33 -3.97 -0.67 1.13 -1.26 -5.05 117.38 109.68 1ggj n GLN 92 Ca 0.40 -0.04 -0.09 0.00 -1.94 0.00 0.00 57.00 55.33 1ggj n GLN 92 Cb 1.35 -1.07 -0.11 0.00 0.11 0.00 0.00 30.24 30.51 1ggj n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1ggj s ASN 93 N -2.43 0.21 0.65 1.08 0.01 -1.26 -5.15 114.94 108.05 1ggj s ASN 93 Ca 0.01 -0.43 -0.12 0.00 -0.71 0.00 0.00 52.86 51.61 1ggj s ASN 93 Cb 0.07 0.08 -0.02 0.00 0.41 0.00 0.00 41.25 41.79 1ggj s ASN 93 CO 0.40 -0.26 1.04 -0.44 -1.51 0.00 0.00 177.10 176.34 1ggj s SER 94 N -1.25 5.81 -0.08 -1.22 0.01 -1.26 -4.97 113.70 110.74 1ggj s SER 94 Ca -0.14 1.55 -0.25 0.00 1.31 0.00 0.00 55.95 58.42 1ggj s SER 94 Cb -0.09 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1ggj s SER 94 CO -0.01 -1.15 0.79 -0.22 0.41 0.00 0.00 173.24 173.06 1ggj s LEU 95 N -5.25 4.29 0.07 2.44 2.96 -1.26 -5.03 118.68 116.90 1ggj s LEU 95 Ca 0.57 1.27 -0.03 0.00 -0.22 0.00 0.00 54.13 55.72 1ggj s LEU 95 Cb -0.13 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 1ggj s LEU 95 CO 0.52 -0.22 0.05 0.00 -1.32 0.00 0.00 176.35 175.38 1ggj s ARG 96 N 1.20 0.73 -0.93 1.98 1.70 -1.26 -1.33 118.95 121.04 1ggj s ARG 96 Ca 0.40 -1.17 -0.22 0.00 -0.47 0.00 0.00 55.73 54.28 1ggj s ARG 96 Cb -0.18 0.26 0.08 0.00 -0.57 0.00 0.00 34.95 34.54 1ggj s ARG 96 CO 0.18 -0.18 1.27 0.00 -1.08 0.00 0.00 175.30 175.49 1ggj s ALA 97 N -3.92 3.00 0.00 7.88 0.00 -0.97 -4.72 121.76 123.03 1ggj s ALA 97 Ca 0.08 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 49.71 1ggj s ALA 97 Cb 0.07 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1ggj s ALA 97 CO -0.09 -3.27 0.00 0.41 0.00 0.00 0.00 175.76 172.81 1ggj n GLY 98 N 6.08 -0.15 0.03 0.00 0.00 -1.26 -3.63 105.19 106.27 1ggj n GLY 98 Ca 0.23 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.79 1ggj n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggj n SER 99 N -0.71 0.16 -0.28 1.61 3.41 -1.26 -1.34 113.62 115.21 1ggj n SER 99 Ca 0.00 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.25 1ggj n SER 99 Cb 0.00 -0.58 0.17 0.00 -0.26 0.00 0.00 64.21 63.54 1ggj n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ggj n ARG 100 N -1.69 1.59 -2.90 4.33 1.74 -1.26 -5.06 116.66 113.41 1ggj n ARG 100 Ca 0.02 -2.71 -0.20 0.00 -0.77 0.00 0.00 57.85 54.20 1ggj n ARG 100 Cb 0.15 -1.58 0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1ggj n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ggj n GLY 101 N -1.25 1.81 3.77 -0.13 0.00 -0.45 -5.07 105.19 103.88 1ggj n GLY 101 Ca 0.18 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 1ggj n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ggj s PRO 102 N -4.65 3.86 0.26 1.61 0.04 -1.26 -4.63 135.00 130.22 1ggj s PRO 102 Ca 0.61 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 1ggj s PRO 102 Cb -0.05 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1ggj s PRO 102 CO 0.39 -0.49 1.18 0.99 0.04 0.00 0.00 177.00 179.11 1ggj s THR 103 N -1.47 3.32 0.15 1.26 2.01 -1.26 -2.29 115.64 117.36 1ggj s THR 103 Ca 0.61 1.25 -0.09 0.00 0.31 0.00 0.00 61.69 63.77 1ggj s THR 103 Cb -0.31 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 1ggj s THR 103 CO 0.38 0.27 0.46 -0.76 -0.69 0.00 0.00 174.62 174.27 1ggj s LEU 104 N -1.15 4.27 0.55 4.42 1.43 -0.44 -4.95 118.68 122.80 1ggj s LEU 104 Ca 0.48 0.81 0.30 0.00 -1.03 0.00 0.00 54.13 54.69 1ggj s LEU 104 Cb -0.34 -3.33 1.57 0.00 0.03 0.00 0.00 46.19 44.13 1ggj s LEU 104 CO 0.42 0.05 2.11 0.25 0.23 0.00 0.00 176.35 179.41 1ggj h LEU 105 N 3.09 0.00 0.00 1.79 5.85 -1.95 -2.60 115.31 121.49 1ggj h LEU 105 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ggj h LEU 105 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ggj h LEU 105 CO 0.69 0.09 0.00 -1.84 -0.34 0.00 0.00 178.44 177.04 1ggj n GLU 106 N -3.52 0.87 -2.60 1.25 0.28 -1.26 -4.50 120.64 111.17 1ggj n GLU 106 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.56 1ggj n GLU 106 Cb 0.22 -1.26 -0.02 0.00 1.43 0.00 0.00 31.44 31.81 1ggj n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ggj s ASP 107 N -1.59 6.66 0.42 -1.84 3.68 -0.98 -4.74 116.67 118.27 1ggj s ASP 107 Ca 0.22 -1.93 0.23 0.00 2.13 0.00 0.00 52.55 53.20 1ggj s ASP 107 Cb 0.10 -2.56 0.76 0.00 -1.45 0.00 0.00 42.92 39.77 1ggj s ASP 107 CO 0.17 -1.33 1.75 2.19 0.13 0.00 0.00 175.17 178.08 1ggj h PHE 108 N 8.78 0.00 -0.02 -5.34 -0.00 -1.90 -1.76 116.94 116.71 1ggj h PHE 108 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.27 1ggj h PHE 108 Cb 0.95 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.90 1ggj h PHE 108 CO 1.33 0.25 -0.01 0.82 -0.00 0.00 0.00 178.31 180.70 1ggj h ILE 109 N 0.00 1.33 0.06 0.88 2.04 -1.98 -1.25 117.51 118.59 1ggj h ILE 109 Ca -0.00 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1ggj h ILE 109 Cb 0.86 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1ggj h ILE 109 CO 0.03 0.26 -0.03 0.25 0.00 0.00 0.00 178.15 178.67 1ggj h LEU 110 N -0.37 -0.07 -1.20 1.44 5.85 -1.93 -2.09 115.31 116.95 1ggj h LEU 110 Ca 0.00 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1ggj h LEU 110 Cb 0.43 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ggj h LEU 110 CO 0.00 0.01 -0.05 0.03 -0.34 0.00 0.00 178.44 178.09 1ggj h ARG 111 N -0.14 0.49 -0.13 1.25 3.08 -1.31 -0.15 114.38 117.47 1ggj h ARG 111 Ca -0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1ggj h ARG 111 Cb 0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1ggj h ARG 111 CO 0.01 0.56 -0.00 1.49 -1.07 0.00 0.00 179.97 180.96 1ggj h GLU 112 N 0.47 0.23 -0.16 0.04 4.81 -1.12 0.94 114.58 119.80 1ggj h GLU 112 Ca 0.10 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ggj h GLU 112 Cb 0.38 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1ggj h GLU 112 CO 0.02 0.48 0.02 -0.22 -0.73 0.00 0.00 179.01 178.58 1ggj h LYS 113 N -0.03 0.08 -0.44 1.92 3.64 -1.05 -1.83 116.57 118.86 1ggj h LYS 113 Ca 0.04 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1ggj h LYS 113 Cb 0.37 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1ggj h LYS 113 CO 0.01 0.05 -0.14 0.82 -2.27 0.00 0.00 179.45 177.92 1ggj h ILE 114 N 0.08 1.27 -0.09 2.00 1.08 -0.92 -2.45 117.51 118.49 1ggj h ILE 114 Ca 0.07 -1.27 0.03 0.00 -0.39 0.00 0.00 64.86 63.29 1ggj h ILE 114 Cb 0.07 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1ggj h ILE 114 CO -0.10 0.43 -0.08 0.74 -0.69 0.00 0.00 178.15 178.45 1ggj h THR 115 N 0.70 0.77 -0.64 -0.27 2.02 -0.71 0.44 112.91 115.23 1ggj h THR 115 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1ggj h THR 115 Cb 0.70 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 1ggj h THR 115 CO 0.05 0.00 0.37 -0.74 0.37 0.00 0.00 175.52 175.58 1ggj h HIS 116 N -0.10 0.70 -0.15 3.16 -0.00 -1.32 -2.08 115.15 115.36 1ggj h HIS 116 Ca 0.06 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1ggj h HIS 116 Cb 0.19 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1ggj h HIS 116 CO -0.19 0.37 0.09 0.35 -0.00 0.00 0.00 177.93 178.55 1ggj h PHE 117 N 0.72 0.19 -0.02 5.26 3.57 -0.92 -2.74 116.94 123.00 1ggj h PHE 117 Ca 0.27 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1ggj h PHE 117 Cb 0.09 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1ggj h PHE 117 CO -0.06 0.16 0.08 -0.44 -2.23 0.00 0.00 178.31 175.81 1ggj h ASP 118 N 0.17 0.00 -0.24 0.41 3.45 0.49 -2.67 116.42 118.02 1ggj h ASP 118 Ca 0.05 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.34 1ggj h ASP 118 Cb 0.02 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.66 1ggj h ASP 118 CO -0.01 0.00 -0.54 1.41 -1.57 0.00 0.00 179.24 178.53 1ggj n HIS 119 N -3.21 0.87 -0.01 4.55 8.25 -0.84 -4.78 115.22 120.05 1ggj n HIS 119 Ca -0.02 -1.72 -0.13 0.00 -0.26 0.00 0.00 57.72 55.58 1ggj n HIS 119 Cb 0.15 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 1ggj n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1ggj h GLU 120 N 1.33 0.66 -6.75 -0.41 5.08 -1.35 -3.45 114.58 109.70 1ggj h GLU 120 Ca 0.13 -0.49 -0.49 0.00 -1.00 0.00 0.00 59.36 57.51 1ggj h GLU 120 Cb 1.20 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1ggj h GLU 120 CO 0.26 1.11 0.30 1.03 -1.00 0.00 0.00 179.01 180.70 1ggj s ARG 121 N -3.83 4.65 0.16 2.33 1.81 -1.26 -5.07 118.95 117.73 1ggj s ARG 121 Ca -0.08 1.31 0.10 0.00 -1.72 0.00 0.00 55.73 55.34 1ggj s ARG 121 Cb 0.10 -3.05 -0.04 0.00 -0.45 0.00 0.00 34.95 31.50 1ggj s ARG 121 CO 0.87 0.42 -0.22 0.96 -0.68 0.00 0.00 175.30 176.66 1ggj s ILE 122 N -1.37 2.07 0.32 1.52 -4.36 -1.26 -5.10 121.20 113.01 1ggj s ILE 122 Ca 0.44 -1.89 -0.29 0.00 -0.26 0.00 0.00 60.65 58.65 1ggj s ILE 122 Cb -0.22 -1.93 -0.12 0.00 1.25 0.00 0.00 42.46 41.44 1ggj s ILE 122 CO 0.27 -0.15 1.37 -2.65 0.24 0.00 0.00 174.94 174.03 1ggj n PRO 123 N 0.48 2.25 -2.14 0.37 -0.02 -1.26 -4.98 135.00 129.70 1ggj n PRO 123 Ca -0.14 0.79 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 1ggj n PRO 123 Cb 0.56 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1ggj n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ggj s GLU 124 N -1.49 2.66 0.29 -0.52 -1.05 -1.26 -4.84 118.70 112.49 1ggj s GLU 124 Ca 0.58 0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 55.21 1ggj s GLU 124 Cb -0.56 -2.14 -0.12 0.00 -0.44 0.00 0.00 34.13 30.87 1ggj s GLU 124 CO 0.59 -1.01 1.46 0.54 0.95 0.00 0.00 175.26 177.78 1ggj n ARG 125 N -2.86 2.33 -0.23 -4.83 1.74 -1.26 -4.89 116.66 106.65 1ggj n ARG 125 Ca 0.06 0.83 0.02 0.00 -0.77 0.00 0.00 57.85 57.99 1ggj n ARG 125 Cb 0.58 -2.52 0.14 0.00 -1.02 0.00 0.00 32.46 29.65 1ggj n ARG 125 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1ggj h ILE 126 N 3.05 0.71 -3.28 0.55 1.08 -1.99 -3.36 117.51 114.28 1ggj h ILE 126 Ca -0.46 -0.14 -0.42 0.00 -0.39 0.00 0.00 64.86 63.44 1ggj h ILE 126 Cb 1.26 0.27 -0.16 0.00 -3.07 0.00 0.00 36.82 35.11 1ggj h ILE 126 CO 0.74 0.07 -0.75 0.68 -0.69 0.00 0.00 178.15 178.20 1ggj s VAL 127 N -6.07 1.50 -1.34 1.67 -7.23 -1.26 -4.79 120.40 102.89 1ggj s VAL 127 Ca -0.13 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.04 1ggj s VAL 127 Cb 0.19 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.33 1ggj s VAL 127 CO 0.75 -0.52 0.44 1.41 -0.31 0.00 0.00 175.10 176.87 1ggj n HIS 128 N 0.07 -1.54 0.06 2.82 8.25 -0.44 -4.92 115.22 119.52 1ggj n HIS 128 Ca -0.12 0.38 0.01 0.00 -0.26 0.00 0.00 57.72 57.73 1ggj n HIS 128 Cb 0.59 -3.89 0.35 0.00 1.12 0.00 0.00 29.99 28.16 1ggj n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ggj h ALA 129 N 0.84 1.45 -2.00 -1.41 0.00 -1.71 -3.39 119.26 113.04 1ggj h ALA 129 Ca -0.44 -0.19 -0.64 0.00 0.00 0.00 0.00 54.91 53.64 1ggj h ALA 129 Cb 1.31 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1ggj h ALA 129 CO 0.48 0.39 0.32 0.50 0.00 0.00 0.00 179.25 180.94 1ggj s ARG 130 N -4.88 3.30 0.05 0.00 6.06 -1.24 -4.04 118.95 118.20 1ggj s ARG 130 Ca -0.07 -0.36 -0.11 0.00 -2.50 0.00 0.00 55.73 52.69 1ggj s ARG 130 Cb 0.16 -4.01 0.01 0.00 0.06 0.00 0.00 34.95 31.16 1ggj s ARG 130 CO 0.75 -1.24 0.23 0.20 -2.50 0.00 0.00 175.30 172.73 1ggj s GLY 131 N 2.46 -0.00 -0.05 8.12 0.00 -1.26 -1.46 107.32 115.13 1ggj s GLY 131 Ca 0.26 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.74 1ggj s GLY 131 CO 0.19 -0.47 -0.16 -0.56 0.00 0.00 0.00 173.10 172.10 1ggj s SER 132 N -2.28 2.08 0.15 1.64 0.01 0.66 -4.94 113.70 111.03 1ggj s SER 132 Ca -0.03 -0.34 0.06 0.00 1.31 0.00 0.00 55.95 56.95 1ggj s SER 132 Cb 0.00 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 1ggj s SER 132 CO -0.06 0.13 -0.12 0.00 0.41 0.00 0.00 173.24 173.60 1ggj s ALA 133 N 0.17 1.59 0.13 1.44 0.00 -1.26 -0.41 121.76 123.43 1ggj s ALA 133 Ca -0.06 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 1ggj s ALA 133 Cb -0.12 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1ggj s ALA 133 CO 0.03 0.01 0.31 0.00 0.00 0.00 0.00 175.76 176.11 1ggj s ALA 134 N -2.81 -0.39 0.23 0.00 0.00 -0.55 -4.56 121.76 113.68 1ggj s ALA 134 Ca 0.15 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1ggj s ALA 134 Cb -0.01 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1ggj s ALA 134 CO 0.03 -0.62 0.43 -1.01 0.00 0.00 0.00 175.76 174.59 1ggj s HIS 135 N -3.88 3.48 0.00 0.00 3.76 0.11 -1.24 115.29 117.52 1ggj s HIS 135 Ca 0.09 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 1ggj s HIS 135 Cb 0.03 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.84 1ggj s HIS 135 CO -0.07 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.56 1ggj n GLY 136 N -0.87 2.12 3.20 -2.22 0.00 -0.10 -1.37 105.19 105.95 1ggj n GLY 136 Ca -0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1ggj n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ggj s TYR 137 N -2.57 0.02 0.14 1.61 -0.85 0.51 -0.54 117.35 115.67 1ggj s TYR 137 Ca 0.00 -0.23 0.08 0.00 -0.52 0.00 0.00 57.07 56.40 1ggj s TYR 137 Cb 0.00 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 1ggj s TYR 137 CO 0.00 -0.45 -0.18 0.12 -1.52 0.00 0.00 175.55 173.52 1ggj s PHE 138 N -2.61 1.75 -0.20 -3.49 5.36 0.15 -1.35 117.98 117.59 1ggj s PHE 138 Ca -0.05 -0.47 -0.10 0.00 -0.96 0.00 0.00 56.93 55.36 1ggj s PHE 138 Cb -0.01 -0.90 0.07 0.00 -0.34 0.00 0.00 43.02 41.84 1ggj s PHE 138 CO -0.04 0.27 0.47 -1.14 -1.46 0.00 0.00 175.22 173.32 1ggj s GLN 139 N -2.51 0.45 0.57 10.12 0.74 -0.84 -0.91 119.66 127.27 1ggj s GLN 139 Ca 0.12 0.94 -0.17 0.00 0.05 0.00 0.00 55.36 56.29 1ggj s GLN 139 Cb -0.07 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 1ggj s GLN 139 CO 0.05 -0.17 1.08 -1.25 -0.55 0.00 0.00 175.29 174.45 1ggj s PRO 140 N 1.70 3.31 0.12 1.67 0.04 -1.26 -1.28 135.00 139.30 1ggj s PRO 140 Ca -0.08 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 1ggj s PRO 140 Cb -0.09 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1ggj s PRO 140 CO -0.14 -0.84 1.31 1.88 0.04 0.00 0.00 177.00 179.25 1ggj h TYR 141 N 0.74 0.82 -3.76 0.56 0.99 -1.04 -3.39 116.97 111.90 1ggj h TYR 141 Ca -0.48 -0.40 -0.08 0.00 2.00 0.00 0.00 58.73 59.76 1ggj h TYR 141 Cb 1.24 -0.11 -0.12 0.00 1.00 0.00 0.00 36.73 38.74 1ggj h TYR 141 CO 0.56 1.22 -0.24 -1.59 -0.00 0.00 0.00 178.16 178.10 1ggj s LYS 142 N -3.48 1.22 0.31 4.88 -2.85 -1.26 -4.76 119.74 113.80 1ggj s LYS 142 Ca -0.08 -1.11 -0.29 0.00 -1.00 0.00 0.00 55.97 53.49 1ggj s LYS 142 Cb 0.09 0.41 -0.10 0.00 -2.06 0.00 0.00 37.83 36.16 1ggj s LYS 142 CO 0.88 -0.47 1.42 0.45 0.10 0.00 0.00 175.35 177.74 1ggj s SER 143 N -2.95 6.60 -0.35 0.03 0.15 -1.26 -4.64 113.70 111.27 1ggj s SER 143 Ca 0.16 2.79 0.07 0.00 0.70 0.00 0.00 55.95 59.67 1ggj s SER 143 Cb 0.02 -2.64 0.53 0.00 -1.71 0.00 0.00 66.02 62.22 1ggj s SER 143 CO -0.00 -0.70 1.57 0.18 1.20 0.00 0.00 173.24 175.48 1ggj n LEU 144 N 1.34 4.89 0.30 3.45 4.77 0.24 -4.74 117.00 127.24 1ggj n LEU 144 Ca 0.03 -3.86 0.18 0.00 -0.03 0.00 0.00 56.01 52.33 1ggj n LEU 144 Cb 0.40 -0.68 0.88 0.00 -2.33 0.00 0.00 43.42 41.69 1ggj n LEU 144 CO 0.61 1.30 1.05 0.77 -1.33 0.00 0.00 177.39 179.80 1ggj h SER 145 N 1.14 0.00 0.14 -1.43 4.64 -1.77 -0.32 113.55 115.94 1ggj h SER 145 Ca 0.34 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 1ggj h SER 145 Cb 1.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 1ggj h SER 145 CO 0.62 0.03 -0.29 0.44 -0.87 0.00 0.00 176.83 176.76 1ggj h ASP 146 N 0.00 0.25 0.00 4.97 3.45 -1.98 -3.30 116.42 119.81 1ggj h ASP 146 Ca -0.00 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.38 1ggj h ASP 146 Cb 0.30 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1ggj h ASP 146 CO 0.00 0.54 -1.47 2.30 -1.57 0.00 0.00 179.24 179.05 1ggj n ILE 147 N -4.13 0.00 -3.71 0.35 -5.35 -0.80 -4.81 119.36 100.91 1ggj n ILE 147 Ca -0.01 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.06 1ggj n ILE 147 Cb 0.39 0.30 -0.09 0.00 -1.74 0.00 0.00 39.64 38.49 1ggj n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ggj s THR 148 N -2.79 0.00 -1.59 7.28 -1.32 -0.20 -3.38 115.64 113.65 1ggj s THR 148 Ca -0.04 -0.04 0.15 0.00 -1.21 0.00 0.00 61.69 60.56 1ggj s THR 148 Cb 0.08 -0.65 0.52 0.00 -1.51 0.00 0.00 72.50 70.94 1ggj s THR 148 CO 0.51 -0.02 1.41 2.29 -2.21 0.00 0.00 174.62 176.61 1ggj n LYS 149 N 2.66 2.71 -1.77 7.08 2.85 -0.54 -3.68 118.16 127.47 1ggj n LYS 149 Ca -0.14 -2.09 -0.42 0.00 -1.05 0.00 0.00 58.31 54.61 1ggj n LYS 149 Cb 0.57 -1.60 -0.03 0.00 -0.65 0.00 0.00 35.03 33.32 1ggj n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ggj s ALA 150 N -1.54 3.77 0.25 0.58 0.00 -1.23 -4.67 121.76 118.92 1ggj s ALA 150 Ca 0.38 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.69 1ggj s ALA 150 Cb 0.22 -3.73 0.27 0.00 0.00 0.00 0.00 23.12 19.88 1ggj s ALA 150 CO 0.22 -1.14 1.91 0.22 0.00 0.00 0.00 175.76 176.96 1ggj h ASP 151 N 8.25 1.07 0.33 0.00 3.58 -1.92 -2.65 116.42 125.08 1ggj h ASP 151 Ca -0.45 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1ggj h ASP 151 Cb 1.21 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1ggj h ASP 151 CO 0.94 0.76 0.00 2.22 -2.88 0.00 0.00 179.24 180.28 1ggj n PHE 152 N -4.44 0.00 -0.45 0.28 1.16 -1.26 -1.58 117.46 111.17 1ggj n PHE 152 Ca 0.12 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.75 1ggj n PHE 152 Cb 0.05 -0.47 0.14 0.00 -1.61 0.00 0.00 39.48 37.58 1ggj n PHE 152 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1ggj n LEU 153 N -1.47 2.83 0.07 5.98 4.77 -1.00 -4.57 117.00 123.61 1ggj n LEU 153 Ca 0.03 -2.40 0.12 0.00 -0.03 0.00 0.00 56.01 53.73 1ggj n LEU 153 Cb 0.11 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1ggj n LEU 153 CO 0.09 0.66 0.06 -1.54 -1.33 0.00 0.00 177.39 175.33 1ggj n SER 154 N -0.27 0.71 -3.71 -1.43 3.41 -0.61 -0.59 113.62 111.13 1ggj n SER 154 Ca 0.12 0.14 -0.12 0.00 -0.26 0.00 0.00 58.87 58.74 1ggj n SER 154 Cb 0.52 0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 64.87 1ggj n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ggj s ASP 155 N -4.70 -0.21 0.59 4.04 3.68 -1.26 -4.42 116.67 114.39 1ggj s ASP 155 Ca 0.02 0.61 0.32 0.00 2.13 0.00 0.00 52.55 55.62 1ggj s ASP 155 Cb 0.12 0.53 1.83 0.00 -1.45 0.00 0.00 42.92 43.95 1ggj s ASP 155 CO 0.78 -0.18 2.23 1.55 0.13 0.00 0.00 175.17 179.67 1ggj h PRO 156 N 7.39 0.00 -0.43 4.34 0.13 -1.82 -1.81 132.00 139.79 1ggj h PRO 156 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ggj h PRO 156 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ggj h PRO 156 CO 0.32 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.21 1ggj n ASN 157 N -3.65 4.24 -4.35 1.44 3.02 -1.26 -4.54 115.26 110.14 1ggj n ASN 157 Ca -0.03 -2.66 -0.38 0.00 -0.03 0.00 0.00 54.58 51.48 1ggj n ASN 157 Cb 0.12 -0.52 -0.12 0.00 -0.61 0.00 0.00 39.78 38.65 1ggj n ASN 157 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ggj s LYS 158 N -2.22 3.01 0.02 3.52 1.02 -0.68 -5.07 119.74 119.34 1ggj s LYS 158 Ca 0.43 -0.92 -0.14 0.00 0.02 0.00 0.00 55.97 55.36 1ggj s LYS 158 Cb 0.31 -3.48 -0.06 0.00 -0.52 0.00 0.00 37.83 34.08 1ggj s LYS 158 CO 0.15 -0.52 0.41 0.42 -0.92 0.00 0.00 175.35 174.90 1ggj s ILE 159 N 1.51 5.02 -0.17 2.17 1.01 -1.26 -4.58 121.20 124.90 1ggj s ILE 159 Ca 0.02 0.80 0.01 0.00 0.00 0.00 0.00 60.65 61.48 1ggj s ILE 159 Cb -0.18 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1ggj s ILE 159 CO 0.04 0.53 -0.17 -0.89 0.00 0.00 0.00 174.94 174.46 1ggj s THR 160 N -1.13 1.86 0.40 2.92 2.01 -0.09 -4.96 115.64 116.65 1ggj s THR 160 Ca 0.25 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 1ggj s THR 160 Cb -0.16 -1.73 -0.10 0.00 0.01 0.00 0.00 72.50 70.51 1ggj s THR 160 CO 0.14 0.45 1.47 -2.84 -0.69 0.00 0.00 174.62 173.15 1ggj s PRO 161 N 1.36 3.97 0.21 4.92 0.02 -1.26 0.31 135.00 144.53 1ggj s PRO 161 Ca 0.04 2.52 0.08 0.00 0.02 0.00 0.00 61.00 63.66 1ggj s PRO 161 Cb -0.14 -2.86 -0.05 0.00 0.02 0.00 0.00 34.50 31.47 1ggj s PRO 161 CO -0.11 -0.63 -0.15 0.14 -0.33 0.00 0.00 177.00 175.91 1ggj s VAL 162 N -1.15 1.85 -0.07 3.83 -7.23 0.30 -1.87 120.40 116.06 1ggj s VAL 162 Ca 0.55 -2.23 -0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1ggj s VAL 162 Cb -0.46 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1ggj s VAL 162 CO 0.61 -0.55 -0.04 0.12 -0.31 0.00 0.00 175.10 174.92 1ggj s PHE 163 N -2.86 0.92 -0.06 2.82 5.36 -0.65 -0.92 117.98 122.59 1ggj s PHE 163 Ca 0.23 -0.32 0.06 0.00 -0.96 0.00 0.00 56.93 55.93 1ggj s PHE 163 Cb -0.02 -0.86 -0.01 0.00 -0.34 0.00 0.00 43.02 41.79 1ggj s PHE 163 CO 0.08 -0.32 -0.23 0.08 -1.46 0.00 0.00 175.22 173.38 1ggj s VAL 164 N 1.46 2.30 -0.15 3.12 1.01 -0.37 0.28 120.40 128.04 1ggj s VAL 164 Ca -0.02 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1ggj s VAL 164 Cb -0.13 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1ggj s VAL 164 CO -0.03 0.57 -0.15 -0.60 0.00 0.00 0.00 175.10 174.88 1ggj s ARG 165 N -0.29 2.44 0.07 2.72 3.52 0.54 -1.48 118.95 126.46 1ggj s ARG 165 Ca 0.00 -0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1ggj s ARG 165 Cb -0.13 -2.18 -0.05 0.00 -1.56 0.00 0.00 34.95 31.03 1ggj s ARG 165 CO 0.03 -0.22 0.26 -0.06 -0.81 0.00 0.00 175.30 174.50 1ggj s PHE 166 N 1.40 3.52 0.30 5.12 0.40 0.45 -1.53 117.98 127.64 1ggj s PHE 166 Ca 0.04 0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 56.70 1ggj s PHE 166 Cb -0.13 -1.87 0.03 0.00 0.51 0.00 0.00 43.02 41.56 1ggj s PHE 166 CO -0.10 0.56 0.51 -1.13 0.70 0.00 0.00 175.22 175.75 1ggj n SER 167 N 0.42 -1.45 -3.00 1.36 3.41 -0.71 -0.24 113.62 113.41 1ggj n SER 167 Ca -0.06 -2.41 -0.09 0.00 -0.26 0.00 0.00 58.87 56.06 1ggj n SER 167 Cb 0.52 2.53 0.01 0.00 -0.26 0.00 0.00 64.21 67.00 1ggj n SER 167 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ggj n THR 168 N -0.45 0.00 -0.02 6.66 -2.24 -0.54 -0.92 114.28 116.77 1ggj n THR 168 Ca -0.03 -0.75 -0.06 0.00 -2.27 0.00 0.00 64.05 60.94 1ggj n THR 168 Cb 0.47 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 1ggj n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ggj n VAL 169 N -1.06 1.23 0.03 2.28 0.31 -1.21 -3.88 118.33 116.03 1ggj n VAL 169 Ca 0.01 0.19 -0.12 0.00 -0.01 0.00 0.00 64.34 64.41 1ggj n VAL 169 Cb 0.22 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.17 1ggj n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ggj h GLN 170 N -0.46 -0.13 -7.28 5.55 -0.00 -1.95 -1.17 115.11 109.68 1ggj h GLN 170 Ca -0.06 0.01 -0.50 0.00 -0.00 0.00 0.00 58.65 58.09 1ggj h GLN 170 Cb 0.62 0.03 0.18 0.00 0.00 0.00 0.00 27.48 28.31 1ggj h GLN 170 CO -0.04 0.33 0.22 0.20 0.00 0.00 0.00 178.83 179.55 1ggj s GLY 171 N -3.15 1.66 1.11 2.39 0.00 -1.26 -4.74 107.32 103.33 1ggj s GLY 171 Ca -0.15 0.33 -0.17 0.00 0.00 0.00 0.00 44.72 44.73 1ggj s GLY 171 CO 0.60 0.78 1.13 -0.32 0.00 0.00 0.00 173.10 175.29 1ggj s GLY 172 N -2.94 1.60 0.48 0.20 0.00 -1.26 -3.78 107.32 101.63 1ggj s GLY 172 Ca 0.65 -0.83 0.22 0.00 0.00 0.00 0.00 44.72 44.75 1ggj s GLY 172 CO 0.58 -0.04 2.02 0.00 0.00 0.00 0.00 173.10 175.66 1ggj h ALA 173 N -2.26 1.43 -0.34 3.20 0.00 -1.95 -1.05 119.26 118.28 1ggj h ALA 173 Ca -0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ggj h ALA 173 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ggj h ALA 173 CO 0.42 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1ggj n GLY 174 N -0.77 0.95 3.96 0.00 0.00 -1.26 -4.67 105.19 103.39 1ggj n GLY 174 Ca -0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1ggj n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ggj s SER 175 N -0.88 3.38 0.41 1.61 1.04 -0.40 -5.06 113.70 113.81 1ggj s SER 175 Ca 0.24 -0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.52 1ggj s SER 175 Cb 0.14 -0.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.16 1ggj s SER 175 CO 0.14 -2.53 0.77 0.00 0.98 0.00 0.00 173.24 172.60 1ggj s ALA 176 N -3.66 3.36 -0.04 5.32 0.00 -1.26 -4.90 121.76 120.57 1ggj s ALA 176 Ca 0.73 -0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 1ggj s ALA 176 Cb -0.03 -2.69 -0.30 0.00 0.00 0.00 0.00 23.12 20.10 1ggj s ALA 176 CO 0.50 -0.04 0.92 -0.44 0.00 0.00 0.00 175.76 176.71 1ggj h ASP 177 N 1.17 0.46 -0.50 0.00 3.45 -0.66 -3.37 116.42 116.97 1ggj h ASP 177 Ca -0.47 -0.93 -0.32 0.00 0.43 0.00 0.00 57.03 55.74 1ggj h ASP 177 Cb 1.19 -0.15 -0.15 0.00 -0.56 0.00 0.00 39.33 39.67 1ggj h ASP 177 CO 0.64 1.35 0.41 0.35 -1.57 0.00 0.00 179.24 180.42 1ggj n THR 178 N -4.16 2.67 -1.58 0.35 -2.24 -1.26 -4.92 114.28 103.14 1ggj n THR 178 Ca -0.13 -1.56 -0.29 0.00 -2.27 0.00 0.00 64.05 59.80 1ggj n THR 178 Cb 0.79 -1.21 0.12 0.00 -2.10 0.00 0.00 70.33 67.92 1ggj n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ggj s VAL 179 N -2.25 2.23 -0.30 2.28 -7.23 -1.26 -4.34 120.40 109.53 1ggj s VAL 179 Ca 0.31 0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.35 1ggj s VAL 179 Cb 0.25 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 1ggj s VAL 179 CO 0.01 -0.10 0.69 -0.60 -0.31 0.00 0.00 175.10 174.78 1ggj s ARG 180 N -5.28 3.93 0.05 4.82 3.52 -1.26 -4.52 118.95 120.21 1ggj s ARG 180 Ca 0.63 0.41 -0.28 0.00 -0.13 0.00 0.00 55.73 56.36 1ggj s ARG 180 Cb -0.14 -3.73 0.10 0.00 -1.56 0.00 0.00 34.95 29.62 1ggj s ARG 180 CO 0.53 -0.60 1.13 0.34 -0.81 0.00 0.00 175.30 175.88 1ggj s ASP 181 N 1.63 -0.12 0.60 -2.12 3.68 -0.86 -4.61 116.67 114.87 1ggj s ASP 181 Ca 0.28 -0.24 -0.15 0.00 2.13 0.00 0.00 52.55 54.57 1ggj s ASP 181 Cb -0.15 0.31 -0.03 0.00 -1.45 0.00 0.00 42.92 41.60 1ggj s ASP 181 CO 0.12 -0.57 1.04 -0.63 0.13 0.00 0.00 175.17 175.26 1ggj s ILE 182 N -2.83 4.02 -0.01 4.11 -1.09 -1.26 -4.48 121.20 119.65 1ggj s ILE 182 Ca 0.13 0.88 0.05 0.00 -2.23 0.00 0.00 60.65 59.47 1ggj s ILE 182 Cb 0.02 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1ggj s ILE 182 CO -0.01 -0.64 -0.14 -0.13 -1.23 0.00 0.00 174.94 172.79 1ggj s ARG 183 N -4.32 2.38 0.16 2.79 1.81 -1.26 -3.35 118.95 117.16 1ggj s ARG 183 Ca 0.61 -0.78 -0.07 0.00 -1.72 0.00 0.00 55.73 53.77 1ggj s ARG 183 Cb -0.14 -2.34 -0.06 0.00 -0.45 0.00 0.00 34.95 31.96 1ggj s ARG 183 CO 0.40 0.60 0.43 0.20 -0.68 0.00 0.00 175.30 176.25 1ggj s GLY 184 N -1.05 2.27 -0.34 -3.53 0.00 -0.10 -1.65 107.32 102.93 1ggj s GLY 184 Ca 0.13 -0.43 -0.00 0.00 0.00 0.00 0.00 44.72 44.41 1ggj s GLY 184 CO 0.03 -0.31 0.22 -0.12 0.00 0.00 0.00 173.10 172.92 1ggj s PHE 185 N -1.65 0.48 -0.17 1.90 2.19 0.35 -1.74 117.98 119.33 1ggj s PHE 185 Ca 0.41 -1.34 -0.05 0.00 0.33 0.00 0.00 56.93 56.28 1ggj s PHE 185 Cb -0.12 -0.83 -0.03 0.00 -1.31 0.00 0.00 43.02 40.73 1ggj s PHE 185 CO 0.22 -0.85 -0.01 0.00 1.83 0.00 0.00 175.22 176.41 1ggj s ALA 186 N 1.35 3.06 -0.12 11.12 0.00 -0.58 -0.59 121.76 136.00 1ggj s ALA 186 Ca 0.16 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1ggj s ALA 186 Cb -0.21 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1ggj s ALA 186 CO -0.08 0.11 -0.22 0.99 0.00 0.00 0.00 175.76 176.56 1ggj s THR 187 N 0.54 1.98 -0.30 0.00 2.01 -0.27 -0.34 115.64 119.26 1ggj s THR 187 Ca -0.02 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 1ggj s THR 187 Cb -0.14 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1ggj s THR 187 CO 0.02 0.54 0.18 -0.75 -0.69 0.00 0.00 174.62 173.92 1ggj s LYS 188 N 0.67 3.59 -0.34 4.92 2.20 0.14 -0.90 119.74 130.01 1ggj s LYS 188 Ca -0.11 -0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 54.79 1ggj s LYS 188 Cb -0.16 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1ggj s LYS 188 CO 0.02 -0.33 0.33 -0.06 -0.36 0.00 0.00 175.35 174.94 1ggj s PHE 189 N 1.69 3.22 -1.04 4.03 0.40 0.18 -1.64 117.98 124.82 1ggj s PHE 189 Ca 0.06 -0.09 -0.17 0.00 -0.60 0.00 0.00 56.93 56.12 1ggj s PHE 189 Cb -0.17 -2.61 0.13 0.00 0.51 0.00 0.00 43.02 40.88 1ggj s PHE 189 CO 0.09 -0.41 1.27 0.71 0.70 0.00 0.00 175.22 177.58 1ggj s TYR 190 N 1.93 3.18 0.59 0.36 2.02 -0.78 -1.17 117.35 123.47 1ggj s TYR 190 Ca 0.10 -1.59 -0.00 0.00 -0.37 0.00 0.00 57.07 55.21 1ggj s TYR 190 Cb -0.17 -4.35 0.04 0.00 -0.40 0.00 0.00 41.96 37.09 1ggj s TYR 190 CO 0.11 -1.51 0.83 0.95 -1.57 0.00 0.00 175.55 174.36 1ggj s THR 191 N 2.60 2.56 -0.93 -0.71 -4.23 -0.74 -4.24 115.64 109.95 1ggj s THR 191 Ca 0.38 -0.59 0.18 0.00 -1.18 0.00 0.00 61.69 60.48 1ggj s THR 191 Cb -0.03 -2.97 0.16 0.00 1.34 0.00 0.00 72.50 71.00 1ggj s THR 191 CO -0.06 0.00 1.58 -0.62 -0.54 0.00 0.00 174.62 174.99 1ggj n GLU 192 N -2.48 0.03 -0.27 3.99 1.02 -1.26 -2.40 120.64 119.28 1ggj n GLU 192 Ca 0.08 0.23 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 1ggj n GLU 192 Cb 0.60 -1.55 0.15 0.00 -0.02 0.00 0.00 31.44 30.61 1ggj n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ggj n GLU 193 N -1.61 1.25 0.00 3.49 1.02 -1.26 -4.86 120.64 118.66 1ggj n GLU 193 Ca 0.04 -2.65 0.00 0.00 -0.02 0.00 0.00 57.16 54.53 1ggj n GLU 193 Cb 0.21 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1ggj n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggj n GLY 194 N -1.22 2.84 3.72 0.62 0.00 -1.01 -4.74 105.19 105.40 1ggj n GLY 194 Ca 0.15 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1ggj n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggj s ILE 195 N -2.10 4.41 -0.20 -0.61 -1.09 -1.26 -1.79 121.20 118.56 1ggj s ILE 195 Ca 0.00 1.91 0.02 0.00 -2.23 0.00 0.00 60.65 60.35 1ggj s ILE 195 Cb 0.00 -4.22 0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1ggj s ILE 195 CO 0.00 0.25 -0.18 0.12 -1.23 0.00 0.00 174.94 173.91 1ggj s PHE 196 N 0.30 2.91 -0.29 3.97 5.36 -0.32 -4.10 117.98 125.80 1ggj s PHE 196 Ca 0.50 -1.83 -0.09 0.00 -0.96 0.00 0.00 56.93 54.55 1ggj s PHE 196 Cb -0.25 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 1ggj s PHE 196 CO 0.30 -0.83 0.13 -0.51 -1.46 0.00 0.00 175.22 172.85 1ggj s ASP 197 N 1.24 5.45 -0.65 6.13 -0.00 -0.42 0.48 116.67 128.89 1ggj s ASP 197 Ca 0.01 -0.44 -0.15 0.00 -0.00 0.00 0.00 52.55 51.97 1ggj s ASP 197 Cb -0.15 -1.98 0.17 0.00 -0.00 0.00 0.00 42.92 40.96 1ggj s ASP 197 CO -0.11 -0.15 0.60 -0.22 -0.00 0.00 0.00 175.17 175.30 1ggj s LEU 198 N 1.61 6.41 -0.72 1.23 0.20 -0.08 -4.41 118.68 122.92 1ggj s LEU 198 Ca 0.05 -2.15 -0.15 0.00 0.69 0.00 0.00 54.13 52.57 1ggj s LEU 198 Cb -0.17 -2.21 0.19 0.00 -0.43 0.00 0.00 46.19 43.57 1ggj s LEU 198 CO 0.06 -0.74 0.67 -0.69 -0.29 0.00 0.00 176.35 175.35 1ggj s VAL 199 N 1.02 5.46 0.00 1.68 1.01 -1.26 -1.11 120.40 127.19 1ggj s VAL 199 Ca 0.09 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.95 1ggj s VAL 199 Cb -0.22 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.74 1ggj s VAL 199 CO -0.02 -0.97 0.00 0.61 0.00 0.00 0.00 175.10 174.72 1ggj n GLY 200 N 4.43 7.04 3.44 4.51 0.00 0.24 -4.91 105.19 119.94 1ggj n GLY 200 Ca 0.04 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 1ggj n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggj s ALA 201 N -2.01 0.76 -2.02 4.61 0.00 -0.23 -0.50 121.76 122.37 1ggj s ALA 201 Ca 0.00 -1.49 0.17 0.00 0.00 0.00 0.00 51.96 50.64 1ggj s ALA 201 Cb 0.00 1.22 0.48 0.00 0.00 0.00 0.00 23.12 24.81 1ggj s ALA 201 CO 0.00 -0.76 1.39 0.27 0.00 0.00 0.00 175.76 176.67 1ggj n ASN 202 N -1.03 2.81 -4.10 0.00 6.94 -0.66 -0.14 115.26 119.08 1ggj n ASN 202 Ca 0.01 -1.99 -0.16 0.00 -0.02 0.00 0.00 54.58 52.42 1ggj n ASN 202 Cb 0.62 -0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 37.58 1ggj n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ggj s THR 203 N -1.31 0.81 -1.82 5.53 -4.23 -1.26 -4.56 115.64 108.79 1ggj s THR 203 Ca 0.35 -1.05 0.30 0.00 -1.18 0.00 0.00 61.69 60.11 1ggj s THR 203 Cb 0.19 -0.80 0.74 0.00 1.34 0.00 0.00 72.50 73.97 1ggj s THR 203 CO 0.24 -0.21 2.08 -0.81 -0.54 0.00 0.00 174.62 175.38 1ggj n PRO 204 N 1.63 0.77 -4.28 3.99 -0.04 -1.26 -4.65 135.00 131.16 1ggj n PRO 204 Ca -0.20 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.11 1ggj n PRO 204 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1ggj n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ggj s ILE 205 N -2.18 0.34 0.42 0.52 -0.00 -1.26 -4.43 121.20 114.60 1ggj s ILE 205 Ca 0.39 -2.00 0.07 0.00 -0.00 0.00 0.00 60.65 59.11 1ggj s ILE 205 Cb 0.20 -2.58 -0.07 0.00 -0.00 0.00 0.00 42.46 40.02 1ggj s ILE 205 CO 0.37 0.00 0.08 0.12 -0.00 0.00 0.00 174.94 175.52 1ggj s PHE 206 N -3.85 2.53 0.26 1.37 2.19 0.15 -4.89 117.98 115.73 1ggj s PHE 206 Ca 0.38 -0.65 0.08 0.00 0.33 0.00 0.00 56.93 57.07 1ggj s PHE 206 Cb 0.07 -1.85 0.34 0.00 -1.31 0.00 0.00 43.02 40.27 1ggj s PHE 206 CO 0.14 0.33 1.61 0.74 1.83 0.00 0.00 175.22 179.86 1ggj h PHE 207 N 1.61 0.13 -2.42 10.12 -1.00 -1.88 -3.38 116.94 120.12 1ggj h PHE 207 Ca -0.43 -0.05 -0.54 0.00 2.81 0.00 0.00 57.97 59.76 1ggj h PHE 207 Cb 1.25 -0.02 -0.14 0.00 3.61 0.00 0.00 35.95 40.65 1ggj h PHE 207 CO 0.71 0.67 -0.69 0.96 -1.61 0.00 0.00 178.31 178.35 1ggj s ILE 208 N -3.72 1.92 -0.17 -0.55 -4.36 -1.26 -2.46 121.20 110.60 1ggj s ILE 208 Ca -0.03 -2.19 -0.02 0.00 -0.26 0.00 0.00 60.65 58.16 1ggj s ILE 208 Cb 0.13 -2.44 -0.22 0.00 1.25 0.00 0.00 42.46 41.17 1ggj s ILE 208 CO 0.77 -0.32 0.14 0.00 0.24 0.00 0.00 174.94 175.78 1ggj n GLN 209 N -0.63 0.71 -5.04 0.37 6.02 -1.26 -4.58 117.38 112.98 1ggj n GLN 209 Ca -0.06 0.21 -0.32 0.00 -0.01 0.00 0.00 57.00 56.82 1ggj n GLN 209 Cb 0.63 -1.63 -0.15 0.00 1.02 0.00 0.00 30.24 30.11 1ggj n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ggj s ASP 210 N -6.74 3.61 0.58 1.08 -1.08 -1.26 -2.50 116.67 110.36 1ggj s ASP 210 Ca -0.26 -0.35 0.27 0.00 -0.52 0.00 0.00 52.55 51.69 1ggj s ASP 210 Cb 0.08 -0.93 1.65 0.00 -1.46 0.00 0.00 42.92 42.25 1ggj s ASP 210 CO 0.71 0.28 2.15 0.00 0.52 0.00 0.00 175.17 178.83 1ggj h ALA 211 N 5.84 1.78 -0.25 3.66 0.00 -1.68 -2.13 119.26 126.48 1ggj h ALA 211 Ca -0.38 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1ggj h ALA 211 Cb 1.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ggj h ALA 211 CO 0.50 -0.18 0.21 1.25 0.00 0.00 0.00 179.25 181.03 1ggj h HIS 212 N 0.00 0.00 -0.05 0.00 6.17 -1.95 -0.18 115.15 119.14 1ggj h HIS 212 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1ggj h HIS 212 Cb 0.29 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.22 1ggj h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1ggj n LYS 213 N -4.18 1.70 -0.08 5.26 5.02 -0.80 -4.49 118.16 120.58 1ggj n LYS 213 Ca 0.03 -1.03 -0.06 0.00 -2.02 0.00 0.00 58.31 55.23 1ggj n LYS 213 Cb 0.36 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1ggj n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1ggj h PHE 214 N 2.40 -0.15 -0.50 2.13 3.04 -1.16 -1.34 116.94 121.37 1ggj h PHE 214 Ca 0.00 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1ggj h PHE 214 Cb 0.51 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 1ggj h PHE 214 CO 0.03 -0.13 0.33 -1.35 -2.02 0.00 0.00 178.31 175.17 1ggj h PRO 215 N 0.01 0.60 0.09 6.41 0.11 -1.80 0.16 132.00 137.59 1ggj h PRO 215 Ca 0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ggj h PRO 215 Cb 0.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1ggj h PRO 215 CO -0.31 0.40 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.39 1ggj h ASP 216 N 0.62 -0.11 0.16 -2.05 3.45 -1.59 -1.15 116.42 115.76 1ggj h ASP 216 Ca 0.19 -0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1ggj h ASP 216 Cb 0.00 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1ggj h ASP 216 CO -0.05 0.24 -0.08 0.15 -1.57 0.00 0.00 179.24 177.94 1ggj h PHE 217 N -0.47 -0.20 -0.66 4.55 3.04 -0.94 -0.27 116.94 121.99 1ggj h PHE 217 Ca -0.01 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1ggj h PHE 217 Cb 0.39 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 1ggj h PHE 217 CO 0.04 -0.09 0.39 0.28 -2.02 0.00 0.00 178.31 176.90 1ggj h VAL 218 N -0.25 1.20 -0.93 1.41 2.07 -0.75 -1.70 116.25 117.30 1ggj h VAL 218 Ca -0.02 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1ggj h VAL 218 Cb 0.19 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1ggj h VAL 218 CO 0.04 0.21 0.55 0.45 0.02 0.00 0.00 177.57 178.83 1ggj h HIS 219 N 0.90 1.24 -0.82 1.57 3.86 -1.10 0.14 115.15 120.94 1ggj h HIS 219 Ca 0.24 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1ggj h HIS 219 Cb -0.01 -0.40 -0.04 0.00 1.06 0.00 0.00 27.41 28.02 1ggj h HIS 219 CO -0.01 0.83 0.39 0.00 0.86 0.00 0.00 177.93 180.00 1ggj h ALA 220 N 1.31 1.14 0.00 2.45 0.00 -0.53 -3.15 119.26 120.48 1ggj h ALA 220 Ca 0.33 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 1ggj h ALA 220 Cb -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1ggj h ALA 220 CO -0.06 0.65 -1.25 -0.24 0.00 0.00 0.00 179.25 178.35 1ggj h VAL 221 N 1.17 0.82 -3.92 0.00 3.04 -0.72 -2.47 116.25 114.17 1ggj h VAL 221 Ca 0.28 -2.41 -0.47 0.00 -1.01 0.00 0.00 66.70 63.09 1ggj h VAL 221 Cb 0.12 2.31 0.17 0.00 -2.01 0.00 0.00 31.29 31.88 1ggj h VAL 221 CO -0.03 0.47 0.19 -0.54 -1.01 0.00 0.00 177.57 176.65 1ggj s LYS 222 N -2.82 0.71 0.18 4.17 -0.14 0.44 -4.68 119.74 117.59 1ggj s LYS 222 Ca -0.01 0.87 -0.33 0.00 -1.36 0.00 0.00 55.97 55.14 1ggj s LYS 222 Cb 0.08 -1.74 -0.15 0.00 -1.68 0.00 0.00 37.83 34.34 1ggj s LYS 222 CO 0.80 -2.63 1.18 -2.30 -0.76 0.00 0.00 175.35 171.64 1ggj n PRO 223 N -4.16 1.24 -1.86 -1.68 -0.02 -1.25 -4.79 135.00 122.47 1ggj n PRO 223 Ca 0.07 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1ggj n PRO 223 Cb 0.55 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1ggj n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ggj s GLU 224 N -0.41 4.03 0.43 -0.52 2.02 -0.36 -4.69 118.70 119.20 1ggj s GLU 224 Ca 0.72 2.46 0.10 0.00 0.02 0.00 0.00 54.97 58.28 1ggj s GLU 224 Cb -0.83 -2.89 0.93 0.00 0.10 0.00 0.00 34.13 31.43 1ggj s GLU 224 CO 0.52 -0.55 2.03 -1.00 0.02 0.00 0.00 175.26 176.28 1ggj h PRO 225 N 2.87 0.31 -0.07 0.39 0.13 -1.89 0.47 132.00 134.20 1ggj h PRO 225 Ca -0.51 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1ggj h PRO 225 Cb 1.24 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ggj h PRO 225 CO 0.63 0.28 -0.07 1.12 -0.23 0.00 0.00 178.00 179.74 1ggj h HIS 226 N 0.31 0.20 -0.00 1.56 2.07 -1.97 -3.38 115.15 113.93 1ggj h HIS 226 Ca 0.08 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1ggj h HIS 226 Cb 0.11 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1ggj h HIS 226 CO 0.00 0.61 -0.11 -2.67 -3.07 0.00 0.00 177.93 172.69 1ggj n TRP 227 N -4.72 0.00 -3.51 6.12 4.27 -1.20 -5.04 117.44 113.36 1ggj n TRP 227 Ca -0.07 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.34 1ggj n TRP 227 Cb 0.30 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.31 1ggj n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ggj n ALA 228 N -0.25 -2.17 -2.85 -1.67 0.00 0.16 -4.99 120.51 108.74 1ggj n ALA 228 Ca 0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1ggj n ALA 228 Cb 0.13 -3.14 -0.13 0.00 0.00 0.00 0.00 19.45 16.31 1ggj n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ggj s ILE 229 N -3.49 0.26 0.12 0.00 1.01 -1.25 -4.71 121.20 113.15 1ggj s ILE 229 Ca 0.15 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1ggj s ILE 229 Cb -0.03 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 1ggj s ILE 229 CO 0.78 -0.12 0.20 -2.16 0.00 0.00 0.00 174.94 173.64 1ggj s PRO 230 N -0.60 3.23 -0.05 2.79 0.04 -1.26 -1.22 135.00 137.92 1ggj s PRO 230 Ca -0.04 -0.64 -0.26 0.00 0.04 0.00 0.00 61.00 60.09 1ggj s PRO 230 Cb -0.04 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1ggj s PRO 230 CO -0.00 0.54 0.84 -1.14 0.04 0.00 0.00 177.00 177.27 1ggj s GLN 231 N -2.92 4.47 -1.50 4.56 2.00 -1.26 -3.91 119.66 121.11 1ggj s GLN 231 Ca 0.33 1.13 -0.05 0.00 -2.00 0.00 0.00 55.36 54.77 1ggj s GLN 231 Cb -0.11 -3.47 0.02 0.00 0.80 0.00 0.00 33.01 30.25 1ggj s GLN 231 CO 0.26 -0.04 0.50 0.41 -0.50 0.00 0.00 175.29 175.93 1ggj n GLY 232 N 3.06 -0.51 2.88 2.59 0.00 -1.26 -4.96 105.19 106.99 1ggj n GLY 232 Ca 0.03 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1ggj n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggj s GLN 233 N -5.68 0.02 0.00 1.61 -0.21 -1.26 -4.42 119.66 109.72 1ggj s GLN 233 Ca 0.28 0.05 0.22 0.00 0.02 0.00 0.00 55.36 55.94 1ggj s GLN 233 Cb -0.13 -0.01 -0.06 0.00 1.00 0.00 0.00 33.01 33.81 1ggj s GLN 233 CO 0.35 -0.02 1.03 -1.13 -2.12 0.00 0.00 175.29 173.40 1ggj n SER 234 N 3.19 1.34 -3.87 5.90 3.41 -1.26 -4.74 113.62 117.59 1ggj n SER 234 Ca -0.14 -1.13 -0.42 0.00 -0.26 0.00 0.00 58.87 56.93 1ggj n SER 234 Cb 0.59 0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 65.24 1ggj n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggj n ALA 235 N -0.93 4.40 -3.26 7.33 0.00 -1.26 -4.56 120.51 122.23 1ggj n ALA 235 Ca 0.06 -3.66 -0.12 0.00 0.00 0.00 0.00 53.44 49.73 1ggj n ALA 235 Cb 0.38 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.22 1ggj n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ggj s HIS 236 N 4.37 -0.41 0.17 0.00 -3.43 -1.26 -4.72 115.29 110.00 1ggj s HIS 236 Ca 0.52 0.22 -0.21 0.00 -0.80 0.00 0.00 55.06 54.79 1ggj s HIS 236 Cb 0.12 0.42 0.08 0.00 -1.43 0.00 0.00 32.58 31.76 1ggj s HIS 236 CO 0.01 -0.76 1.62 -0.44 -2.00 0.00 0.00 174.74 173.17 1ggj h ASP 237 N 2.27 -0.82 -0.80 7.38 5.19 -1.88 -3.03 116.42 124.73 1ggj h ASP 237 Ca -0.33 0.16 0.03 0.00 -0.62 0.00 0.00 57.03 56.27 1ggj h ASP 237 Cb 1.27 0.41 -0.04 0.00 0.18 0.00 0.00 39.33 41.15 1ggj h ASP 237 CO 0.42 -0.27 0.53 0.71 -3.12 0.00 0.00 179.24 177.50 1ggj h THR 238 N -0.19 1.14 -0.19 0.35 1.35 -1.93 -0.27 112.91 113.17 1ggj h THR 238 Ca 0.18 -0.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.66 1ggj h THR 238 Cb 0.47 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 1ggj h THR 238 CO -0.48 0.18 0.00 0.15 -0.25 0.00 0.00 175.52 175.13 1ggj h PHE 239 N 1.00 0.36 0.00 4.73 3.57 -1.32 -2.32 116.94 122.96 1ggj h PHE 239 Ca 0.31 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 1ggj h PHE 239 Cb 0.01 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1ggj h PHE 239 CO -0.00 0.53 -0.28 -1.49 -2.23 0.00 0.00 178.31 174.83 1ggj h TRP 240 N 0.08 0.00 0.19 0.41 4.06 -1.44 -0.98 115.95 118.27 1ggj h TRP 240 Ca 0.05 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 1ggj h TRP 240 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1ggj h TRP 240 CO 0.03 0.28 -0.09 0.22 -3.56 0.00 0.00 178.44 175.33 1ggj h ASP 241 N 0.00 -0.22 -0.38 -3.49 3.58 -0.92 -0.89 116.42 114.10 1ggj h ASP 241 Ca -0.00 -0.19 0.05 0.00 0.42 0.00 0.00 57.03 57.31 1ggj h ASP 241 Cb 0.70 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.76 1ggj h ASP 241 CO 0.04 0.08 0.09 0.22 -2.88 0.00 0.00 179.24 176.79 1ggj h TYR 242 N -0.53 0.16 -0.70 0.28 5.03 -1.11 -1.67 116.97 118.42 1ggj h TYR 242 Ca -0.03 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.31 1ggj h TYR 242 Cb 0.40 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 1ggj h TYR 242 CO 0.01 0.04 0.47 0.28 -1.32 0.00 0.00 178.16 177.64 1ggj h VAL 243 N 0.23 1.17 0.00 1.81 2.07 -1.17 -0.42 116.25 119.94 1ggj h VAL 243 Ca 0.18 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1ggj h VAL 243 Cb 0.20 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1ggj h VAL 243 CO -0.22 0.17 -0.21 0.77 0.02 0.00 0.00 177.57 178.10 1ggj h SER 244 N 0.95 0.00 -0.02 0.57 4.64 -0.39 -2.39 113.55 116.91 1ggj h SER 244 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1ggj h SER 244 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1ggj h SER 244 CO -0.06 0.21 -0.16 0.18 -0.87 0.00 0.00 176.83 176.13 1ggj n LEU 245 N -4.21 2.61 -3.42 5.97 4.77 -0.70 -4.65 117.00 117.36 1ggj n LEU 245 Ca -0.02 -0.89 -0.27 0.00 -0.03 0.00 0.00 56.01 54.80 1ggj n LEU 245 Cb 0.27 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1ggj n LEU 245 CO 0.36 0.45 -0.26 0.00 -1.33 0.00 0.00 177.39 176.61 1ggj n GLN 246 N 0.84 0.60 -0.01 3.23 1.13 -0.21 -4.99 117.38 117.97 1ggj n GLN 246 Ca 0.13 -3.42 0.23 0.00 -1.94 0.00 0.00 57.00 52.00 1ggj n GLN 246 Cb 0.55 -1.69 0.72 0.00 0.11 0.00 0.00 30.24 29.92 1ggj n GLN 246 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1ggj h PRO 247 N 5.23 0.00 -0.27 -1.09 0.13 -1.83 -1.75 132.00 132.42 1ggj h PRO 247 Ca 0.21 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.42 1ggj h PRO 247 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1ggj h PRO 247 CO 0.45 0.00 0.32 1.05 -0.23 0.00 0.00 178.00 179.59 1ggj h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -1.46 114.58 116.21 1ggj h GLU 248 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1ggj h GLU 248 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1ggj h GLU 248 CO -0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 1ggj h THR 249 N 0.00 0.00 -0.80 -1.06 1.35 -0.98 -3.35 112.91 108.07 1ggj h THR 249 Ca 0.13 -0.45 0.06 0.00 -0.55 0.00 0.00 66.41 65.60 1ggj h THR 249 Cb 0.76 1.35 -0.06 0.00 -1.73 0.00 0.00 68.15 68.47 1ggj h THR 249 CO -0.00 0.00 0.49 -0.07 -0.25 0.00 0.00 175.52 175.68 1ggj h LEU 250 N 0.00 0.76 0.34 3.87 3.38 -1.46 -1.02 115.31 121.18 1ggj h LEU 250 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ggj h LEU 250 Cb 0.60 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ggj h LEU 250 CO 0.00 0.48 -0.23 -0.74 0.09 0.00 0.00 178.44 178.05 1ggj h HIS 251 N 0.89 -0.59 0.00 1.13 2.76 -1.80 0.04 115.15 117.57 1ggj h HIS 251 Ca 0.35 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.46 1ggj h HIS 251 Cb 0.17 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1ggj h HIS 251 CO -0.04 -0.35 -0.28 -0.97 -1.30 0.00 0.00 177.93 174.99 1ggj h ASN 252 N -0.55 0.00 -0.65 3.26 -0.00 -1.72 -2.11 115.58 113.81 1ggj h ASN 252 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.20 1ggj h ASN 252 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.76 1ggj h ASN 252 CO 0.02 0.28 0.14 0.58 -0.00 0.00 0.00 177.43 178.45 1ggj h VAL 253 N 0.00 1.26 -0.20 2.57 2.07 -0.70 0.02 116.25 121.27 1ggj h VAL 253 Ca -0.00 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1ggj h VAL 253 Cb 0.60 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1ggj h VAL 253 CO 0.04 0.37 0.03 0.24 0.02 0.00 0.00 177.57 178.26 1ggj h MET 254 N 1.01 0.10 -0.69 1.57 2.86 -0.31 -0.27 114.93 119.20 1ggj h MET 254 Ca 0.21 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1ggj h MET 254 Cb 0.38 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1ggj h MET 254 CO 0.01 0.07 0.42 -1.49 1.06 0.00 0.00 176.91 176.97 1ggj h TRP 255 N 0.10 0.90 -0.76 -0.22 4.06 -1.21 -2.10 115.95 116.72 1ggj h TRP 255 Ca 0.09 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 1ggj h TRP 255 Cb 0.09 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 27.92 1ggj h TRP 255 CO -0.15 0.61 0.38 0.00 -3.56 0.00 0.00 178.44 175.72 1ggj h ALA 256 N 1.22 0.98 0.00 1.49 0.00 -0.57 -2.76 119.26 119.63 1ggj h ALA 256 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ggj h ALA 256 Cb -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1ggj h ALA 256 CO -0.05 0.53 -0.06 0.52 0.00 0.00 0.00 179.25 180.18 1ggj h MET 257 N 1.06 0.00 -7.63 0.00 2.86 -0.85 -3.33 114.93 107.04 1ggj h MET 257 Ca 0.26 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.48 1ggj h MET 257 Cb 0.09 0.00 0.18 0.00 0.06 0.00 0.00 31.60 31.93 1ggj h MET 257 CO -0.04 0.06 0.28 -1.54 1.06 0.00 0.00 176.91 176.74 1ggj s SER 258 N -5.99 1.93 0.00 1.22 1.04 -0.81 -4.01 113.70 107.08 1ggj s SER 258 Ca 0.03 0.40 0.15 0.00 0.48 0.00 0.00 55.95 57.01 1ggj s SER 258 Cb 0.08 -0.50 0.72 0.00 0.10 0.00 0.00 66.02 66.41 1ggj s SER 258 CO 0.61 -3.48 1.43 0.47 0.98 0.00 0.00 173.24 173.25 1ggj n ASP 259 N -4.29 0.00 0.29 7.02 10.43 -1.26 -2.39 116.55 126.34 1ggj n ASP 259 Ca 0.15 0.21 0.15 0.00 2.57 0.00 0.00 54.79 57.87 1ggj n ASP 259 Cb 0.59 -0.35 0.87 0.00 1.84 0.00 0.00 41.12 44.07 1ggj n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1ggj h ARG 260 N 0.00 0.00 0.00 -1.24 2.47 -1.87 -2.19 114.38 111.55 1ggj h ARG 260 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ggj h ARG 260 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1ggj h ARG 260 CO 0.00 0.05 0.00 0.41 0.56 0.00 0.00 179.97 180.99 1ggj n GLY 261 N -1.04 -1.29 2.24 0.04 0.00 -1.01 -4.20 105.19 99.94 1ggj n GLY 261 Ca -0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1ggj n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ggj n ILE 262 N -1.45 -0.48 -1.74 -0.61 -5.35 -0.82 -2.02 119.36 106.88 1ggj n ILE 262 Ca 0.07 -3.96 -0.38 0.00 -0.27 0.00 0.00 62.75 58.21 1ggj n ILE 262 Cb 0.27 -1.16 0.06 0.00 -1.74 0.00 0.00 39.64 37.07 1ggj n ILE 262 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1ggj n PRO 263 N 1.06 1.44 0.08 6.28 -0.04 -1.26 -0.05 135.00 142.52 1ggj n PRO 263 Ca 0.21 0.54 -0.03 0.00 -0.04 0.00 0.00 63.50 64.18 1ggj n PRO 263 Cb 0.58 -2.57 0.19 0.00 -0.04 0.00 0.00 33.50 31.66 1ggj n PRO 263 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1ggj h ARG 264 N 1.02 0.27 -2.94 0.54 9.65 -1.52 -3.39 114.38 118.01 1ggj h ARG 264 Ca -0.51 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.23 1ggj h ARG 264 Cb 1.32 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.79 1ggj h ARG 264 CO 0.55 0.67 0.23 0.45 2.80 0.00 0.00 179.97 184.67 1ggj s SER 265 N -6.88 -0.51 0.52 -3.80 0.15 -1.26 -4.93 113.70 96.98 1ggj s SER 265 Ca -0.05 -0.08 0.29 0.00 0.70 0.00 0.00 55.95 56.82 1ggj s SER 265 Cb 0.13 0.60 1.36 0.00 -1.71 0.00 0.00 66.02 66.40 1ggj s SER 265 CO 0.78 -0.99 2.01 1.88 1.20 0.00 0.00 173.24 178.12 1ggj h TYR 266 N 2.00 0.00 0.00 3.44 0.05 -1.90 -2.25 116.97 118.32 1ggj h TYR 266 Ca -0.31 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.44 1ggj h TYR 266 Cb 1.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.03 1ggj h TYR 266 CO 0.26 0.12 -0.12 0.00 -1.05 0.00 0.00 178.16 177.36 1ggj h ARG 267 N 0.00 0.00 -1.30 4.88 3.08 -1.95 -3.32 114.38 115.77 1ggj h ARG 267 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1ggj h ARG 267 Cb 0.47 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.12 1ggj h ARG 267 CO 0.02 0.12 -0.47 0.25 -1.07 0.00 0.00 179.97 178.82 1ggj n THR 268 N -3.24 2.63 -4.06 2.04 -2.24 -0.84 -4.35 114.28 104.21 1ggj n THR 268 Ca 0.01 -4.52 -0.09 0.00 -2.27 0.00 0.00 64.05 57.18 1ggj n THR 268 Cb 0.40 -1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 67.31 1ggj n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ggj s MET 269 N -3.63 0.53 0.61 -0.78 0.23 -1.25 -1.53 119.30 113.48 1ggj s MET 269 Ca 0.50 -0.97 -0.09 0.00 -1.03 0.00 0.00 55.69 54.11 1ggj s MET 269 Cb 0.41 0.04 -0.02 0.00 -1.53 0.00 0.00 34.83 33.74 1ggj s MET 269 CO -0.13 -0.05 0.97 -1.21 -2.03 0.00 0.00 175.02 172.57 1ggj s GLU 270 N -2.75 3.25 0.01 3.16 2.02 -1.26 -4.30 118.70 118.84 1ggj s GLU 270 Ca -0.02 0.41 0.06 0.00 0.02 0.00 0.00 54.97 55.43 1ggj s GLU 270 Cb -0.01 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 1ggj s GLU 270 CO -0.05 -0.65 -0.17 0.20 0.02 0.00 0.00 175.26 174.62 1ggj s GLY 271 N -4.24 0.88 -0.04 -1.39 0.00 -0.59 -4.06 107.32 97.87 1ggj s GLY 271 Ca 0.54 -0.82 -0.09 0.00 0.00 0.00 0.00 44.72 44.34 1ggj s GLY 271 CO 0.50 -0.74 0.22 -1.36 0.00 0.00 0.00 173.10 171.72 1ggj s PHE 272 N -0.61 -0.14 -1.28 1.90 0.08 0.80 -0.65 117.98 118.10 1ggj s PHE 272 Ca 0.05 0.28 0.26 0.00 0.12 0.00 0.00 56.93 57.65 1ggj s PHE 272 Cb -0.07 0.04 0.75 0.00 -0.57 0.00 0.00 43.02 43.17 1ggj s PHE 272 CO 0.00 -0.24 1.57 0.41 -0.10 0.00 0.00 175.22 176.86 1ggj n GLY 273 N 2.04 -1.08 5.00 4.36 0.00 -0.40 -1.07 105.19 114.05 1ggj n GLY 273 Ca -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1ggj n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ggj n ILE 274 N -1.21 0.00 -1.74 -0.61 5.41 -1.26 -4.82 119.36 115.12 1ggj n ILE 274 Ca 0.09 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.52 1ggj n ILE 274 Cb 0.33 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.30 1ggj n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1ggj s HIS 275 N 0.00 3.11 -0.13 1.39 3.76 -1.26 -4.85 115.29 117.31 1ggj s HIS 275 Ca 0.00 1.44 -0.25 0.00 -0.15 0.00 0.00 55.06 56.10 1ggj s HIS 275 Cb 0.00 -2.91 -0.02 0.00 1.11 0.00 0.00 32.58 30.76 1ggj s HIS 275 CO 0.00 -1.15 0.81 0.99 -0.85 0.00 0.00 174.74 174.54 1ggj s THR 276 N -2.87 4.92 0.00 1.30 2.01 -1.26 -4.54 115.64 115.20 1ggj s THR 276 Ca 0.59 1.61 0.00 0.00 0.31 0.00 0.00 61.69 64.20 1ggj s THR 276 Cb -0.14 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.25 1ggj s THR 276 CO 0.49 0.09 0.00 0.49 -0.69 0.00 0.00 174.62 175.00 1ggj n PHE 277 N 4.80 -0.71 -4.26 4.92 3.72 0.18 -4.25 117.46 121.85 1ggj n PHE 277 Ca 0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.21 1ggj n PHE 277 Cb 0.50 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.92 1ggj n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ggj s ARG 278 N -1.72 1.06 -0.11 -1.08 0.52 -0.05 -1.20 118.95 116.38 1ggj s ARG 278 Ca 0.00 -1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 54.03 1ggj s ARG 278 Cb 0.00 -1.19 -0.03 0.00 0.52 0.00 0.00 34.95 34.25 1ggj s ARG 278 CO 0.00 0.26 -0.02 -0.51 0.02 0.00 0.00 175.30 175.05 1ggj s LEU 279 N -2.04 3.39 -0.12 2.53 1.43 0.48 -1.03 118.68 123.31 1ggj s LEU 279 Ca 0.06 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1ggj s LEU 279 Cb -0.09 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.36 1ggj s LEU 279 CO 0.04 0.29 -0.21 -0.63 0.23 0.00 0.00 176.35 176.08 1ggj s ILE 280 N -0.37 1.91 0.67 -0.59 -1.09 0.74 -1.18 121.20 121.29 1ggj s ILE 280 Ca 0.06 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1ggj s ILE 280 Cb -0.12 -1.69 0.13 0.00 -1.58 0.00 0.00 42.46 39.19 1ggj s ILE 280 CO 0.02 0.52 0.91 -0.46 -1.23 0.00 0.00 174.94 174.71 1ggj n ASN 281 N 4.00 1.29 0.27 3.58 0.23 -0.63 -1.47 115.26 122.52 1ggj n ASN 281 Ca -0.20 -2.07 0.13 0.00 -0.53 0.00 0.00 54.58 51.91 1ggj n ASN 281 Cb 0.52 -0.59 0.73 0.00 -2.08 0.00 0.00 39.78 38.36 1ggj n ASN 281 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ggj h ALA 282 N -0.56 1.21 -0.02 -2.53 0.00 -1.88 -1.70 119.26 113.79 1ggj h ALA 282 Ca -0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ggj h ALA 282 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ggj h ALA 282 CO 0.33 0.14 0.00 0.39 0.00 0.00 0.00 179.25 180.11 1ggj n GLU 283 N -3.53 1.58 -0.30 0.00 1.02 -1.26 -4.72 120.64 113.42 1ggj n GLU 283 Ca -0.01 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1ggj n GLU 283 Cb 0.25 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1ggj n GLU 283 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggj n GLY 284 N 1.15 0.65 3.73 0.62 0.00 -0.64 -5.05 105.19 105.66 1ggj n GLY 284 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1ggj n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggj s LYS 285 N -0.69 4.43 -0.18 1.61 2.20 -1.26 -4.76 119.74 121.08 1ggj s LYS 285 Ca 0.00 1.94 -0.10 0.00 -0.36 0.00 0.00 55.97 57.45 1ggj s LYS 285 Cb 0.00 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 1ggj s LYS 285 CO 0.00 -0.21 0.15 0.00 -0.36 0.00 0.00 175.35 174.92 1ggj s ALA 286 N 0.35 3.72 -0.10 3.13 0.00 -1.26 -1.61 121.76 126.00 1ggj s ALA 286 Ca 0.57 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1ggj s ALA 286 Cb -0.34 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1ggj s ALA 286 CO 0.35 0.26 -0.19 0.99 0.00 0.00 0.00 175.76 177.17 1ggj s THR 287 N 0.04 1.69 0.25 0.00 2.01 -0.32 -4.22 115.64 115.10 1ggj s THR 287 Ca 0.10 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 1ggj s THR 287 Cb -0.11 -1.50 -0.09 0.00 0.01 0.00 0.00 72.50 70.81 1ggj s THR 287 CO -0.00 0.48 1.15 -0.36 -0.69 0.00 0.00 174.62 175.20 1ggj s PHE 288 N 0.64 3.48 0.02 4.92 0.08 -0.46 -0.39 117.98 126.27 1ggj s PHE 288 Ca -0.13 1.59 0.01 0.00 0.12 0.00 0.00 56.93 58.52 1ggj s PHE 288 Cb -0.16 -3.37 -0.01 0.00 -0.57 0.00 0.00 43.02 38.91 1ggj s PHE 288 CO 0.04 -0.88 -0.05 0.54 -0.10 0.00 0.00 175.22 174.77 1ggj s VAL 289 N -0.81 0.31 -0.08 -0.44 0.11 -0.34 -1.32 120.40 117.84 1ggj s VAL 289 Ca 0.47 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1ggj s VAL 289 Cb -0.33 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1ggj s VAL 289 CO 0.41 -0.19 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.66 1ggj s ARG 290 N -0.83 2.42 0.04 1.54 0.52 -0.64 -0.65 118.95 121.35 1ggj s ARG 290 Ca -0.06 -0.71 -0.17 0.00 -0.52 0.00 0.00 55.73 54.27 1ggj s ARG 290 Cb -0.06 -1.92 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 1ggj s ARG 290 CO -0.00 0.17 0.49 -0.06 0.02 0.00 0.00 175.30 175.93 1ggj s PHE 291 N 0.32 3.77 0.05 -0.53 0.08 -1.26 -1.07 117.98 119.34 1ggj s PHE 291 Ca -0.14 1.14 0.05 0.00 0.12 0.00 0.00 56.93 58.10 1ggj s PHE 291 Cb -0.16 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.87 1ggj s PHE 291 CO 0.06 0.61 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.65 1ggj s HIS 292 N -1.10 1.14 -0.13 0.36 3.76 0.08 -1.27 115.29 118.13 1ggj s HIS 292 Ca 0.27 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1ggj s HIS 292 Cb -0.18 -0.67 0.01 0.00 1.11 0.00 0.00 32.58 32.86 1ggj s HIS 292 CO 0.16 0.03 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.32 1ggj s TRP 293 N -1.04 2.36 -0.23 1.40 0.52 0.18 -0.38 118.94 121.75 1ggj s TRP 293 Ca -0.01 -1.18 -0.07 0.00 0.02 0.00 0.00 56.10 54.85 1ggj s TRP 293 Cb -0.09 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1ggj s TRP 293 CO 0.02 -0.57 0.06 0.21 0.02 0.00 0.00 176.95 176.69 1ggj s LYS 294 N 0.96 3.72 -0.26 4.98 2.20 0.76 -1.54 119.74 130.55 1ggj s LYS 294 Ca -0.05 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1ggj s LYS 294 Cb -0.15 -3.29 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1ggj s LYS 294 CO -0.03 -0.07 1.41 -1.25 -0.36 0.00 0.00 175.35 175.04 1ggj s PRO 295 N 1.30 3.90 0.00 4.03 0.04 -1.26 0.91 135.00 143.92 1ggj s PRO 295 Ca 0.05 1.42 0.16 0.00 0.04 0.00 0.00 61.00 62.67 1ggj s PRO 295 Cb -0.15 -3.92 0.71 0.00 0.04 0.00 0.00 34.50 31.18 1ggj s PRO 295 CO 0.03 -1.15 1.50 1.28 0.04 0.00 0.00 177.00 178.71 1ggj n LEU 296 N 7.82 0.00 -0.55 -3.56 4.77 -0.24 -1.24 117.00 123.99 1ggj n LEU 296 Ca 0.16 0.46 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1ggj n LEU 296 Cb 0.46 -0.46 0.45 0.00 -2.33 0.00 0.00 43.42 41.55 1ggj n LEU 296 CO 0.63 -0.21 0.83 0.00 -1.33 0.00 0.00 177.39 177.31 1ggj n ALA 297 N -1.46 2.55 0.00 -1.18 0.00 -1.26 -4.93 120.51 114.23 1ggj n ALA 297 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ggj n ALA 297 Cb 0.17 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1ggj n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ggj n GLY 298 N 1.19 -0.27 3.78 0.00 0.00 -0.37 -3.98 105.19 105.54 1ggj n GLY 298 Ca 0.18 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1ggj n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ggj s LYS 299 N -1.66 3.98 -0.28 1.61 1.02 -1.26 -4.15 119.74 119.00 1ggj s LYS 299 Ca 0.00 0.02 -0.20 0.00 0.02 0.00 0.00 55.97 55.81 1ggj s LYS 299 Cb 0.00 -3.33 0.09 0.00 -0.52 0.00 0.00 37.83 34.06 1ggj s LYS 299 CO 0.00 0.46 0.77 0.00 -0.92 0.00 0.00 175.35 175.66 1ggj s ALA 300 N -0.17 -1.90 0.20 5.17 0.00 -0.58 -4.90 121.76 119.57 1ggj s ALA 300 Ca 0.15 2.21 0.04 0.00 0.00 0.00 0.00 51.96 54.36 1ggj s ALA 300 Cb -0.13 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 1ggj s ALA 300 CO 0.04 -0.35 -0.05 -1.12 0.00 0.00 0.00 175.76 174.29 1ggj s SER 301 N 1.02 1.82 0.95 0.00 0.01 -1.26 -1.50 113.70 114.75 1ggj s SER 301 Ca -0.05 -1.13 -0.13 0.00 1.31 0.00 0.00 55.95 55.95 1ggj s SER 301 Cb -0.05 -0.00 0.20 0.00 0.21 0.00 0.00 66.02 66.38 1ggj s SER 301 CO -0.11 -0.43 1.19 0.18 0.41 0.00 0.00 173.24 174.48 1ggj n LEU 302 N -0.33 0.00 -4.73 2.44 4.77 0.93 -4.60 117.00 115.48 1ggj n LEU 302 Ca -0.07 -1.47 -0.28 0.00 -0.03 0.00 0.00 56.01 54.16 1ggj n LEU 302 Cb 0.62 -0.89 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 1ggj n LEU 302 CO 0.35 -1.31 -0.29 0.68 -1.33 0.00 0.00 177.39 175.49 1ggj s VAL 303 N -3.58 4.17 0.18 4.08 -7.23 -1.26 -4.90 120.40 111.86 1ggj s VAL 303 Ca 0.69 -1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 59.58 1ggj s VAL 303 Cb -0.02 -3.07 0.14 0.00 0.56 0.00 0.00 36.38 33.99 1ggj s VAL 303 CO 0.48 -0.01 1.61 -0.25 -0.31 0.00 0.00 175.10 176.62 1ggj h TRP 304 N 2.90 -0.65 -0.51 2.82 2.91 -1.97 -1.10 115.95 120.35 1ggj h TRP 304 Ca -0.47 0.06 0.03 0.00 1.13 0.00 0.00 58.89 59.64 1ggj h TRP 304 Cb 1.19 0.37 -0.04 0.00 -0.51 0.00 0.00 29.16 30.16 1ggj h TRP 304 CO 0.60 -0.33 0.29 0.22 -1.03 0.00 0.00 178.44 178.19 1ggj h ASP 305 N -0.13 0.44 -0.17 2.65 -0.00 -1.99 -0.42 116.42 116.80 1ggj h ASP 305 Ca 0.23 0.01 0.02 0.00 -0.00 0.00 0.00 57.03 57.30 1ggj h ASP 305 Cb 0.50 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.33 39.73 1ggj h ASP 305 CO -0.59 0.31 0.02 -0.08 -0.00 0.00 0.00 179.24 178.90 1ggj h GLU 306 N 0.56 0.08 -0.25 0.28 4.81 -1.83 -1.52 114.58 116.71 1ggj h GLU 306 Ca 0.21 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1ggj h GLU 306 Cb 0.06 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1ggj h GLU 306 CO -0.12 0.05 0.17 0.00 -0.73 0.00 0.00 179.01 178.38 1ggj h ALA 307 N 1.13 0.32 -0.41 2.92 0.00 -0.66 0.65 119.26 123.20 1ggj h ALA 307 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ggj h ALA 307 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ggj h ALA 307 CO -0.11 -0.21 0.18 0.37 0.00 0.00 0.00 179.25 179.48 1ggj h GLN 308 N 0.34 0.61 -0.21 0.00 4.15 -1.01 -1.85 115.11 117.14 1ggj h GLN 308 Ca 0.09 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 1ggj h GLN 308 Cb -0.04 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1ggj h GLN 308 CO -0.02 0.55 -0.25 -0.22 -1.93 0.00 0.00 178.83 176.96 1ggj h LYS 309 N 0.52 0.38 0.00 1.69 3.64 -1.07 -2.38 116.57 119.35 1ggj h LYS 309 Ca 0.14 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1ggj h LYS 309 Cb 0.16 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1ggj h LYS 309 CO -0.01 0.61 -0.27 1.25 -2.27 0.00 0.00 179.45 178.76 1ggj h LEU 310 N 0.34 0.00 -1.72 5.20 5.85 -0.53 0.76 115.31 125.21 1ggj h LEU 310 Ca 0.05 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1ggj h LEU 310 Cb 0.63 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1ggj h LEU 310 CO 0.05 0.27 -0.17 0.71 -0.34 0.00 0.00 178.44 178.95 1ggj h THR 311 N 0.00 0.96 0.02 1.05 1.35 -0.79 0.11 112.91 115.61 1ggj h THR 311 Ca -0.00 -0.62 -0.15 0.00 -0.55 0.00 0.00 66.41 65.08 1ggj h THR 311 Cb 0.51 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 1ggj h THR 311 CO 0.03 0.17 -0.82 1.23 -0.25 0.00 0.00 175.52 175.88 1ggj h GLY 312 N 0.65 0.05 1.47 5.82 0.00 -1.34 -3.21 103.07 106.51 1ggj h GLY 312 Ca -0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 1ggj h GLY 312 CO 0.02 0.11 -0.38 3.21 0.00 0.00 0.00 176.54 179.50 1ggj h ARG 313 N -0.88 0.59 -1.43 4.80 2.47 -0.66 -3.40 114.38 115.86 1ggj h ARG 313 Ca -0.21 -0.29 -0.19 0.00 -1.26 0.00 0.00 59.98 58.03 1ggj h ARG 313 Cb 1.27 -0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.34 1ggj h ARG 313 CO -0.09 0.87 -0.55 0.34 0.56 0.00 0.00 179.97 181.10 1ggj s ASP 314 N -6.84 -0.31 0.25 7.04 2.15 0.00 -5.01 116.67 113.94 1ggj s ASP 314 Ca -0.08 -1.05 0.20 0.00 0.43 0.00 0.00 52.55 52.05 1ggj s ASP 314 Cb 0.12 1.34 0.96 0.00 -0.30 0.00 0.00 42.92 45.04 1ggj s ASP 314 CO 0.82 -0.22 1.61 -0.81 -0.17 0.00 0.00 175.17 176.40 1ggj n PRO 315 N 4.44 0.14 -0.71 4.34 -0.04 -1.21 -2.09 135.00 139.87 1ggj n PRO 315 Ca 0.10 0.51 0.03 0.00 -0.04 0.00 0.00 63.50 64.11 1ggj n PRO 315 Cb 0.51 -1.85 0.29 0.00 -0.04 0.00 0.00 33.50 32.41 1ggj n PRO 315 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ggj n ASP 316 N -2.13 4.23 -0.16 3.54 8.00 -1.26 0.09 116.55 128.86 1ggj n ASP 316 Ca 0.00 -3.16 -0.05 0.00 0.71 0.00 0.00 54.79 52.30 1ggj n ASP 316 Cb 0.12 -0.63 0.04 0.00 -0.02 0.00 0.00 41.12 40.63 1ggj n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ggj h PHE 317 N 2.25 0.49 -0.08 1.24 3.04 -1.77 0.16 116.94 122.27 1ggj h PHE 317 Ca 0.10 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.87 1ggj h PHE 317 Cb 1.78 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 40.14 1ggj h PHE 317 CO 0.86 0.25 -0.75 0.45 -2.02 0.00 0.00 178.31 177.10 1ggj h HIS 318 N 0.52 0.61 -0.49 0.41 3.86 -1.87 -0.56 115.15 117.62 1ggj h HIS 318 Ca 0.21 -0.27 -0.09 0.00 -1.16 0.00 0.00 60.37 59.06 1ggj h HIS 318 Cb 0.09 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1ggj h HIS 318 CO -0.09 1.04 -0.05 -0.09 0.86 0.00 0.00 177.93 179.61 1ggj h ARG 319 N 0.30 0.90 -0.16 2.45 2.43 -1.82 -1.65 114.38 116.83 1ggj h ARG 319 Ca -0.04 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 1ggj h ARG 319 Cb 1.34 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1ggj h ARG 319 CO 0.13 0.96 -0.12 -0.09 -1.51 0.00 0.00 179.97 179.34 1ggj h ARG 320 N 0.76 0.36 -0.65 0.20 2.43 -0.64 -2.40 114.38 114.45 1ggj h ARG 320 Ca 0.13 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ggj h ARG 320 Cb 0.58 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1ggj h ARG 320 CO 0.03 0.71 0.35 1.49 -1.51 0.00 0.00 179.97 181.05 1ggj h GLU 321 N 0.02 0.90 -0.04 0.20 4.22 -1.07 -0.37 114.58 118.44 1ggj h GLU 321 Ca 0.03 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 1ggj h GLU 321 Cb 0.62 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1ggj h GLU 321 CO 0.03 0.68 0.01 1.25 -2.18 0.00 0.00 179.01 178.81 1ggj h LEU 322 N 0.88 0.06 -0.59 1.64 5.85 -1.26 -1.81 115.31 120.08 1ggj h LEU 322 Ca 0.23 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ggj h LEU 322 Cb 0.04 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1ggj h LEU 322 CO -0.04 0.22 0.36 -0.25 -0.34 0.00 0.00 178.44 178.40 1ggj h TRP 323 N -0.11 0.68 -0.05 1.25 2.91 -1.26 -2.58 115.95 116.79 1ggj h TRP 323 Ca 0.01 0.02 -0.14 0.00 1.13 0.00 0.00 58.89 59.92 1ggj h TRP 323 Cb 0.18 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 1ggj h TRP 323 CO -0.01 0.39 -0.59 0.93 -1.03 0.00 0.00 178.44 178.13 1ggj h GLU 324 N 0.72 0.17 -0.17 2.65 5.08 -0.98 -1.75 114.58 120.29 1ggj h GLU 324 Ca 0.24 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1ggj h GLU 324 Cb 0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ggj h GLU 324 CO -0.09 0.71 0.08 0.00 -1.00 0.00 0.00 179.01 178.71 1ggj h ALA 325 N 1.27 0.22 -0.56 3.43 0.00 -1.21 0.20 119.26 122.61 1ggj h ALA 325 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ggj h ALA 325 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ggj h ALA 325 CO 0.09 -0.22 0.17 0.82 0.00 0.00 0.00 179.25 180.10 1ggj h ILE 326 N 0.15 1.24 0.00 0.00 2.04 -1.38 0.12 117.51 119.69 1ggj h ILE 326 Ca 0.06 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1ggj h ILE 326 Cb 0.11 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1ggj h ILE 326 CO -0.01 0.30 -0.20 -0.33 0.00 0.00 0.00 178.15 177.92 1ggj h GLU 327 N 0.78 0.00 -0.00 2.37 5.08 -0.96 -2.39 114.58 119.46 1ggj h GLU 327 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ggj h GLU 327 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ggj h GLU 327 CO -0.00 0.20 -0.21 0.00 -1.00 0.00 0.00 179.01 177.99 1ggj n ALA 328 N -2.39 2.93 -0.47 3.43 0.00 0.68 -2.21 120.51 122.47 1ggj n ALA 328 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1ggj n ALA 328 Cb 0.28 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1ggj n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ggj n GLY 329 N 1.40 0.74 2.37 0.00 0.00 -0.82 -4.56 105.19 104.32 1ggj n GLY 329 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1ggj n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ggj n ASP 330 N 0.00 7.42 -4.67 1.61 10.43 0.36 -4.97 116.55 126.72 1ggj n ASP 330 Ca 0.00 -2.92 -0.47 0.00 2.57 0.00 0.00 54.79 53.96 1ggj n ASP 330 Cb 0.00 -1.39 -0.04 0.00 1.84 0.00 0.00 41.12 41.53 1ggj n ASP 330 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1ggj n PHE 331 N 2.07 2.30 -1.67 1.24 0.99 -1.26 -4.34 117.46 116.78 1ggj n PHE 331 Ca 0.60 0.13 -0.45 0.00 -0.00 0.00 0.00 57.45 57.73 1ggj n PHE 331 Cb 0.42 -2.61 -0.04 0.00 -1.00 0.00 0.00 39.48 36.25 1ggj n PHE 331 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ggj n PRO 332 N 5.12 2.54 -5.11 -1.08 -0.02 -1.24 -4.77 135.00 130.43 1ggj n PRO 332 Ca 0.20 0.93 -0.30 0.00 -2.02 0.00 0.00 63.50 62.31 1ggj n PRO 332 Cb 0.29 -2.83 -0.16 0.00 -0.02 0.00 0.00 33.50 30.78 1ggj n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ggj s GLU 333 N 3.90 2.36 -0.01 -0.52 2.02 -1.26 -1.38 118.70 123.81 1ggj s GLU 333 Ca 0.89 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 55.13 1ggj s GLU 333 Cb -0.56 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 1ggj s GLU 333 CO 0.45 0.31 -0.15 0.71 0.02 0.00 0.00 175.26 176.60 1ggj s TYR 334 N -0.02 1.34 -0.27 1.61 2.02 0.20 -1.08 117.35 121.16 1ggj s TYR 334 Ca -0.06 -0.26 -0.09 0.00 -0.37 0.00 0.00 57.07 56.29 1ggj s TYR 334 Cb -0.14 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 1ggj s TYR 334 CO 0.04 -0.02 0.14 -2.00 -1.57 0.00 0.00 175.55 172.14 1ggj s GLU 335 N -0.38 3.78 0.11 -0.62 2.12 0.26 -0.24 118.70 123.73 1ggj s GLU 335 Ca 0.06 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 1ggj s GLU 335 Cb -0.06 -3.52 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 1ggj s GLU 335 CO -0.01 -0.21 1.17 -1.17 -0.54 0.00 0.00 175.26 174.51 1ggj s LEU 336 N 1.69 4.42 0.02 2.70 2.96 0.29 -0.17 118.68 130.58 1ggj s LEU 336 Ca 0.07 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1ggj s LEU 336 Cb -0.16 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1ggj s LEU 336 CO 0.08 -0.38 -0.04 -0.83 -1.32 0.00 0.00 176.35 173.86 1ggj s GLY 337 N 0.58 0.26 -0.04 7.98 0.00 0.49 -0.05 107.32 116.54 1ggj s GLY 337 Ca 0.55 -0.55 0.07 0.00 0.00 0.00 0.00 44.72 44.79 1ggj s GLY 337 CO 0.32 -0.61 -0.25 -1.36 0.00 0.00 0.00 173.10 171.20 1ggj s PHE 338 N -1.27 2.40 -0.33 1.90 2.99 0.42 -0.74 117.98 123.34 1ggj s PHE 338 Ca -0.13 -0.54 -0.11 0.00 0.00 0.00 0.00 56.93 56.15 1ggj s PHE 338 Cb -0.09 -1.55 -0.00 0.00 0.00 0.00 0.00 43.02 41.38 1ggj s PHE 338 CO -0.01 -0.10 0.18 -0.65 -0.00 0.00 0.00 175.22 174.64 1ggj s GLN 339 N -0.43 3.25 -0.16 0.44 -0.21 -0.24 0.22 119.66 122.53 1ggj s GLN 339 Ca 0.04 -0.79 -0.04 0.00 0.02 0.00 0.00 55.36 54.60 1ggj s GLN 339 Cb -0.12 -3.65 -0.03 0.00 1.00 0.00 0.00 33.01 30.21 1ggj s GLN 339 CO 0.01 -0.49 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.15 1ggj s LEU 340 N 1.62 3.25 -0.12 2.90 1.43 -1.26 -1.63 118.68 124.87 1ggj s LEU 340 Ca 0.04 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1ggj s LEU 340 Cb -0.18 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1ggj s LEU 340 CO 0.07 0.15 -0.11 -0.63 0.23 0.00 0.00 176.35 176.07 1ggj s ILE 341 N 0.45 1.24 0.63 -0.59 1.01 -0.44 -4.97 121.20 118.53 1ggj s ILE 341 Ca -0.03 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 1ggj s ILE 341 Cb -0.14 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 1ggj s ILE 341 CO 0.03 0.40 1.30 -2.65 0.00 0.00 0.00 174.94 174.02 1ggj n PRO 342 N 4.70 1.23 -0.22 2.79 -0.02 -1.26 -1.35 135.00 140.87 1ggj n PRO 342 Ca -0.16 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1ggj n PRO 342 Cb 0.50 -2.53 0.37 0.00 -0.02 0.00 0.00 33.50 31.82 1ggj n PRO 342 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ggj h GLU 343 N 0.72 0.69 0.00 -0.52 4.81 -1.96 0.29 114.58 118.62 1ggj h GLU 343 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1ggj h GLU 343 Cb 1.33 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ggj h GLU 343 CO 0.54 0.46 0.00 0.39 -0.73 0.00 0.00 179.01 179.67 1ggj n GLU 344 N -4.51 0.14 -0.48 1.92 4.71 -1.26 -2.63 120.64 118.52 1ggj n GLU 344 Ca 0.14 0.40 0.10 0.00 -0.01 0.00 0.00 57.16 57.79 1ggj n GLU 344 Cb 0.35 -1.77 0.33 0.00 -1.01 0.00 0.00 31.44 29.33 1ggj n GLU 344 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ggj n ASP 345 N -2.03 4.29 -0.21 1.62 8.00 0.09 -4.64 116.55 123.67 1ggj n ASP 345 Ca 0.02 -2.24 0.02 0.00 0.71 0.00 0.00 54.79 53.29 1ggj n ASP 345 Cb 0.20 -0.52 0.12 0.00 -0.02 0.00 0.00 41.12 40.90 1ggj n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ggj h GLU 346 N 3.98 0.20 -0.58 -1.24 4.81 -1.57 -2.50 114.58 117.68 1ggj h GLU 346 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ggj h GLU 346 Cb 1.21 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ggj h GLU 346 CO 0.12 0.13 0.00 1.19 -0.73 0.00 0.00 179.01 179.72 1ggj n PHE 347 N -5.19 2.01 1.39 0.92 3.01 -1.26 -4.40 117.46 113.94 1ggj n PHE 347 Ca 0.10 -0.72 0.13 0.00 1.01 0.00 0.00 57.45 57.97 1ggj n PHE 347 Cb 0.36 -0.48 0.46 0.00 -0.01 0.00 0.00 39.48 39.80 1ggj n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ggj n LYS 348 N 0.67 1.76 -3.25 -1.08 5.02 -0.94 -4.91 118.16 115.43 1ggj n LYS 348 Ca 0.28 -1.10 -0.20 0.00 -2.02 0.00 0.00 58.31 55.26 1ggj n LYS 348 Cb 1.17 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 34.73 1ggj n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ggj s PHE 349 N -1.96 2.16 -2.32 2.13 0.40 -1.26 -5.00 117.98 112.12 1ggj s PHE 349 Ca 0.36 -0.59 0.25 0.00 -0.60 0.00 0.00 56.93 56.35 1ggj s PHE 349 Cb 0.20 -2.22 1.02 0.00 0.51 0.00 0.00 43.02 42.53 1ggj s PHE 349 CO 0.32 -0.62 1.71 -0.40 0.70 0.00 0.00 175.22 176.93 1ggj n ASP 350 N -1.91 1.29 -4.45 1.36 5.68 -1.26 -4.79 116.55 112.48 1ggj n ASP 350 Ca 0.08 -1.53 -0.23 0.00 -0.50 0.00 0.00 54.79 52.62 1ggj n ASP 350 Cb 0.61 -0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 40.45 1ggj n ASP 350 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1ggj s PHE 351 N -1.91 2.11 0.09 2.11 -0.12 -1.26 -5.05 117.98 113.94 1ggj s PHE 351 Ca 0.36 -0.50 -0.26 0.00 -0.05 0.00 0.00 56.93 56.48 1ggj s PHE 351 Cb 0.19 -1.05 -0.06 0.00 -0.63 0.00 0.00 43.02 41.47 1ggj s PHE 351 CO 0.30 0.52 0.80 0.34 -0.05 0.00 0.00 175.22 177.13 1ggj s ASP 352 N -3.47 7.31 0.47 1.98 3.68 -1.26 -4.92 116.67 120.47 1ggj s ASP 352 Ca 0.29 1.57 0.20 0.00 2.13 0.00 0.00 52.55 56.73 1ggj s ASP 352 Cb -0.01 -2.50 1.18 0.00 -1.45 0.00 0.00 42.92 40.14 1ggj s ASP 352 CO 0.13 0.06 2.01 -0.07 0.13 0.00 0.00 175.17 177.43 1ggj h LEU 353 N 5.26 0.00 -1.19 -1.34 3.38 -1.96 -2.58 115.31 116.88 1ggj h LEU 353 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1ggj h LEU 353 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ggj h LEU 353 CO 0.70 0.17 0.00 0.18 0.09 0.00 0.00 178.44 179.58 1ggj n LEU 354 N -4.00 1.74 -4.49 1.67 4.77 -1.26 -4.45 117.00 110.98 1ggj n LEU 354 Ca -0.02 -0.83 -0.43 0.00 -0.03 0.00 0.00 56.01 54.70 1ggj n LEU 354 Cb 0.26 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1ggj n LEU 354 CO 0.34 0.42 0.09 -0.62 -1.33 0.00 0.00 177.39 176.28 1ggj s ASP 355 N -1.17 6.19 0.00 -1.43 3.68 -0.97 -4.29 116.67 118.67 1ggj s ASP 355 Ca 0.26 -0.66 0.18 0.00 2.13 0.00 0.00 52.55 54.46 1ggj s ASP 355 Cb 0.13 -2.21 0.97 0.00 -1.45 0.00 0.00 42.92 40.36 1ggj s ASP 355 CO 0.19 -0.55 1.53 -0.81 0.13 0.00 0.00 175.17 175.66 1ggj n PRO 356 N 5.54 0.37 0.00 4.34 -0.04 -1.26 -1.32 135.00 142.62 1ggj n PRO 356 Ca -0.08 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1ggj n PRO 356 Cb 0.47 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.82 1ggj n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ggj n THR 357 N -1.19 0.00 -4.61 0.52 -2.24 -1.26 -0.68 114.28 104.83 1ggj n THR 357 Ca 0.10 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1ggj n THR 357 Cb 0.12 0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 68.99 1ggj n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ggj s LYS 358 N -2.05 3.47 0.39 -0.78 -0.14 -0.43 -4.85 119.74 115.34 1ggj s LYS 358 Ca 0.34 -0.63 0.01 0.00 -1.36 0.00 0.00 55.97 54.33 1ggj s LYS 358 Cb 0.21 -2.74 -0.01 0.00 -1.68 0.00 0.00 37.83 33.60 1ggj s LYS 358 CO 0.35 0.20 0.59 -0.48 -0.76 0.00 0.00 175.35 175.24 1ggj s LEU 359 N 0.42 3.84 -0.41 3.17 0.05 -1.26 -4.87 118.68 119.63 1ggj s LEU 359 Ca -0.08 0.26 -0.09 0.00 0.05 0.00 0.00 54.13 54.27 1ggj s LEU 359 Cb -0.15 -3.14 0.07 0.00 -2.05 0.00 0.00 46.19 40.92 1ggj s LEU 359 CO 0.04 -0.50 0.24 -0.63 -0.55 0.00 0.00 176.35 174.95 1ggj s ILE 360 N -2.40 4.24 0.13 1.48 1.01 -1.26 -5.05 121.20 119.35 1ggj s ILE 360 Ca 0.44 -1.32 -0.35 0.00 0.00 0.00 0.00 60.65 59.43 1ggj s ILE 360 Cb -0.10 -3.55 -0.15 0.00 0.01 0.00 0.00 42.46 38.67 1ggj s ILE 360 CO 0.36 -0.45 1.50 -2.65 0.00 0.00 0.00 174.94 173.70 1ggj n PRO 361 N 4.92 1.83 0.28 2.79 -0.02 -1.26 -4.85 135.00 138.68 1ggj n PRO 361 Ca -0.10 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1ggj n PRO 361 Cb 0.43 -2.39 0.81 0.00 -0.02 0.00 0.00 33.50 32.33 1ggj n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ggj h GLU 362 N 5.51 0.00 0.00 -0.52 5.08 -1.97 0.99 114.58 123.66 1ggj h GLU 362 Ca -0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1ggj h GLU 362 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1ggj h GLU 362 CO 0.85 0.03 -0.20 0.93 -1.00 0.00 0.00 179.01 179.62 1ggj h GLU 363 N 0.00 0.00 0.06 2.33 4.39 -1.96 -3.05 114.58 116.35 1ggj h GLU 363 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1ggj h GLU 363 Cb 0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1ggj h GLU 363 CO 0.00 0.20 -1.56 -0.07 -1.16 0.00 0.00 179.01 176.42 1ggj h LEU 364 N 0.00 0.20 -7.01 1.33 3.38 -1.20 -3.45 115.31 108.55 1ggj h LEU 364 Ca -0.00 -0.72 -0.54 0.00 0.09 0.00 0.00 57.88 56.71 1ggj h LEU 364 Cb 0.49 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 40.77 1ggj h LEU 364 CO 0.03 1.65 -0.77 -0.69 0.09 0.00 0.00 178.44 178.75 1ggj s VAL 365 N -2.45 0.33 0.64 1.22 1.01 -0.69 -5.08 120.40 115.39 1ggj s VAL 365 Ca -0.25 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.67 1ggj s VAL 365 Cb 0.06 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1ggj s VAL 365 CO 0.68 -0.58 1.21 -2.16 0.00 0.00 0.00 175.10 174.25 1ggj s PRO 366 N 1.91 2.66 -0.33 2.72 0.04 -1.16 -4.07 135.00 136.77 1ggj s PRO 366 Ca 0.07 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1ggj s PRO 366 Cb -0.17 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1ggj s PRO 366 CO -0.26 -1.44 0.93 0.08 0.04 0.00 0.00 177.00 176.34 1ggj s VAL 367 N -1.72 4.63 0.01 -0.36 1.01 -1.26 -4.43 120.40 118.27 1ggj s VAL 367 Ca 0.77 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.81 1ggj s VAL 367 Cb -0.30 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 1ggj s VAL 367 CO 0.38 -0.43 0.88 -1.58 0.00 0.00 0.00 175.10 174.35 1ggj s GLN 368 N 3.36 4.55 0.19 2.72 0.74 0.13 -4.80 119.66 126.55 1ggj s GLN 368 Ca 0.38 1.25 -0.30 0.00 0.05 0.00 0.00 55.36 56.74 1ggj s GLN 368 Cb -0.13 -3.43 -0.09 0.00 1.10 0.00 0.00 33.01 30.47 1ggj s GLN 368 CO 0.16 0.08 1.33 1.03 -0.55 0.00 0.00 175.29 177.34 1ggj s ARG 369 N 0.59 4.37 -0.02 1.67 0.52 -1.26 -0.44 118.95 124.38 1ggj s ARG 369 Ca 0.46 2.07 -0.00 0.00 -0.52 0.00 0.00 55.73 57.74 1ggj s ARG 369 Cb -0.21 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 1ggj s ARG 369 CO 0.25 -0.29 -0.02 0.28 0.02 0.00 0.00 175.30 175.54 1ggj n VAL 370 N 2.82 0.11 -3.96 3.52 0.31 0.93 -4.89 118.33 117.17 1ggj n VAL 370 Ca 0.07 -0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.39 1ggj n VAL 370 Cb 0.43 -0.89 0.01 0.00 -0.91 0.00 0.00 33.84 32.48 1ggj n VAL 370 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ggj s GLY 371 N -4.47 -0.16 0.01 2.92 0.00 -1.04 -0.37 107.32 104.21 1ggj s GLY 371 Ca -0.03 0.10 0.08 0.00 0.00 0.00 0.00 44.72 44.88 1ggj s GLY 371 CO 0.04 5.28 -0.25 1.25 0.00 0.00 0.00 173.10 179.42 1ggj s LYS 372 N -2.05 1.89 -0.12 2.90 2.20 -0.40 -0.55 119.74 123.61 1ggj s LYS 372 Ca 0.28 -0.97 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 1ggj s LYS 372 Cb 0.00 -1.92 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 1ggj s LYS 372 CO -0.01 0.51 -0.22 1.41 -0.36 0.00 0.00 175.35 176.68 1ggj s MET 373 N -0.86 2.95 -0.09 4.03 -2.45 0.67 -1.98 119.30 121.57 1ggj s MET 373 Ca 0.10 -0.84 0.03 0.00 -1.25 0.00 0.00 55.69 53.73 1ggj s MET 373 Cb -0.10 -2.30 0.01 0.00 1.25 0.00 0.00 34.83 33.69 1ggj s MET 373 CO 0.00 0.08 -0.17 0.08 1.05 0.00 0.00 175.02 176.07 1ggj s VAL 374 N 0.58 1.55 -0.41 10.11 1.01 -0.46 -0.63 120.40 132.16 1ggj s VAL 374 Ca -0.13 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1ggj s VAL 374 Cb -0.17 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.90 1ggj s VAL 374 CO 0.04 0.45 0.24 -0.76 0.00 0.00 0.00 175.10 175.07 1ggj s LEU 375 N 0.64 5.04 -0.02 3.92 1.02 -0.48 -0.36 118.68 128.45 1ggj s LEU 375 Ca -0.14 -1.42 0.03 0.00 0.02 0.00 0.00 54.13 52.62 1ggj s LEU 375 Cb -0.16 -1.98 0.05 0.00 0.02 0.00 0.00 46.19 44.11 1ggj s LEU 375 CO 0.04 -0.50 1.03 -0.46 0.02 0.00 0.00 176.35 176.48 1ggj n ASN 376 N 4.92 2.09 -3.68 2.29 6.94 -0.47 -3.66 115.26 123.68 1ggj n ASN 376 Ca -0.10 -2.14 -0.11 0.00 -0.02 0.00 0.00 54.58 52.21 1ggj n ASN 376 Cb 0.43 -0.06 -0.09 0.00 -2.36 0.00 0.00 39.78 37.70 1ggj n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ggj s ARG 377 N -1.24 0.59 0.61 -3.83 3.52 -1.01 -4.98 118.95 112.62 1ggj s ARG 377 Ca 0.05 0.89 -0.12 0.00 -0.13 0.00 0.00 55.73 56.42 1ggj s ARG 377 Cb 0.04 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1ggj s ARG 377 CO 0.01 -0.12 1.03 -0.80 -0.81 0.00 0.00 175.30 174.61 1ggj s ASN 378 N 0.94 6.17 1.09 -2.12 0.01 -1.26 0.09 114.94 119.86 1ggj s ASN 378 Ca -0.05 1.49 -0.15 0.00 -0.71 0.00 0.00 52.86 53.44 1ggj s ASN 378 Cb -0.05 -2.48 0.23 0.00 0.41 0.00 0.00 41.25 39.36 1ggj s ASN 378 CO -0.08 -0.91 1.09 -2.16 -1.51 0.00 0.00 177.10 173.53 1ggj s PRO 379 N -4.93 -0.33 -0.20 -0.60 0.04 -1.26 -3.44 135.00 124.29 1ggj s PRO 379 Ca 0.56 0.35 -0.21 0.00 0.04 0.00 0.00 61.00 61.74 1ggj s PRO 379 Cb -0.11 -1.66 -0.20 0.00 0.04 0.00 0.00 34.50 32.56 1ggj s PRO 379 CO 0.49 -3.20 0.27 -0.44 0.04 0.00 0.00 177.00 174.16 1ggj h ASP 380 N -2.23 0.04 -3.22 6.66 3.45 -1.95 0.09 116.42 119.26 1ggj h ASP 380 Ca -0.53 -0.58 -0.53 0.00 0.43 0.00 0.00 57.03 55.82 1ggj h ASP 380 Cb 1.32 -0.01 -0.37 0.00 -0.56 0.00 0.00 39.33 39.71 1ggj h ASP 380 CO 0.50 1.49 -0.80 0.21 -1.57 0.00 0.00 179.24 179.07 1ggj s ASN 381 N -6.84 2.35 0.13 6.45 3.84 -1.26 -4.59 114.94 115.03 1ggj s ASN 381 Ca -0.28 -0.40 -0.22 0.00 0.21 0.00 0.00 52.86 52.17 1ggj s ASN 381 Cb 0.05 -0.86 -0.01 0.00 -0.55 0.00 0.00 41.25 39.88 1ggj s ASN 381 CO 0.61 -0.14 1.66 0.15 -2.79 0.00 0.00 177.10 176.60 1ggj h PHE 382 N 8.16 -0.44 0.32 0.43 3.57 -1.98 -2.18 116.94 124.83 1ggj h PHE 382 Ca -0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1ggj h PHE 382 Cb 1.13 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 1ggj h PHE 382 CO 0.47 -0.24 -0.38 0.35 -2.23 0.00 0.00 178.31 176.27 1ggj h PHE 383 N -0.21 -1.03 -0.79 0.41 3.04 -1.96 0.39 116.94 116.79 1ggj h PHE 383 Ca 0.10 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.10 1ggj h PHE 383 Cb 0.36 0.41 -0.05 0.00 2.56 0.00 0.00 35.95 39.23 1ggj h PHE 383 CO -0.29 -0.52 0.50 0.00 -2.02 0.00 0.00 178.31 175.98 1ggj h ALA 384 N -0.29 1.04 0.01 2.41 0.00 -1.94 -1.78 119.26 118.71 1ggj h ALA 384 Ca -0.02 -0.03 -0.42 0.00 0.00 0.00 0.00 54.91 54.45 1ggj h ALA 384 Cb 0.68 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1ggj h ALA 384 CO -0.10 0.29 -2.40 0.39 0.00 0.00 0.00 179.25 177.44 1ggj n GLU 385 N -4.61 0.62 -0.03 0.00 1.02 -0.83 -4.22 120.64 112.58 1ggj n GLU 385 Ca 0.09 0.25 -0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1ggj n GLU 385 Cb 0.10 -1.53 -0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1ggj n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1ggj h ASN 386 N -0.63 0.00 -0.87 1.62 -0.73 -0.43 -3.19 115.58 111.35 1ggj h ASN 386 Ca -0.63 0.00 0.14 0.00 1.87 0.00 0.00 56.30 57.68 1ggj h ASN 386 Cb 1.70 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 40.20 1ggj h ASN 386 CO -0.28 0.31 0.47 -0.08 -0.37 0.00 0.00 177.43 177.49 1ggj h GLU 387 N -0.60 0.68 -0.00 6.67 4.57 -0.97 -1.90 114.58 123.03 1ggj h GLU 387 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ggj h GLU 387 Cb 0.03 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1ggj h GLU 387 CO 0.00 0.45 -0.04 1.04 -1.18 0.00 0.00 179.01 179.28 1ggj n GLN 388 N -4.81 0.05 -1.84 1.92 6.02 -0.69 -4.91 117.38 113.13 1ggj n GLN 388 Ca 0.17 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1ggj n GLN 388 Cb 0.40 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.14 1ggj n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ggj s ALA 389 N -2.95 3.75 -0.23 -1.58 0.00 -0.72 -4.87 121.76 115.17 1ggj s ALA 389 Ca 0.15 1.50 -0.02 0.00 0.00 0.00 0.00 51.96 53.60 1ggj s ALA 389 Cb 0.19 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1ggj s ALA 389 CO 0.54 -0.90 -0.09 0.00 0.00 0.00 0.00 175.76 175.31 1ggj s ALA 390 N 0.29 2.65 -0.01 0.00 0.00 -1.26 -5.05 121.76 118.38 1ggj s ALA 390 Ca 0.65 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1ggj s ALA 390 Cb -0.46 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1ggj s ALA 390 CO 0.43 -0.63 -0.05 -0.06 0.00 0.00 0.00 175.76 175.44 1ggj s PHE 391 N 1.35 2.95 -0.20 0.00 0.08 -1.26 -4.98 117.98 115.92 1ggj s PHE 391 Ca 0.02 0.01 -0.10 0.00 0.12 0.00 0.00 56.93 56.98 1ggj s PHE 391 Cb -0.15 -1.64 0.07 0.00 -0.57 0.00 0.00 43.02 40.72 1ggj s PHE 391 CO -0.06 0.39 0.47 -1.58 -0.10 0.00 0.00 175.22 174.34 1ggj s HIS 392 N -0.98 -0.73 0.16 0.36 5.65 -1.26 -4.94 115.29 113.54 1ggj s HIS 392 Ca 0.17 1.50 0.34 0.00 0.25 0.00 0.00 55.06 57.32 1ggj s HIS 392 Cb -0.11 0.35 1.66 0.00 -1.18 0.00 0.00 32.58 33.30 1ggj s HIS 392 CO 0.07 -0.40 2.03 -1.00 -0.65 0.00 0.00 174.74 174.78 1ggj h PRO 393 N 7.25 0.00 0.00 2.88 0.13 -1.91 -0.90 132.00 139.46 1ggj h PRO 393 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ggj h PRO 393 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ggj h PRO 393 CO 0.24 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.79 1ggj h GLY 394 N 0.98 0.00 -7.68 1.56 0.00 -1.89 -3.39 103.07 92.65 1ggj h GLY 394 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1ggj h GLY 394 CO 0.00 0.00 1.90 0.30 0.00 0.00 0.00 176.54 178.74 1ggj s HIS 395 N -3.28 2.60 0.53 5.60 3.76 -0.34 -4.94 115.29 119.22 1ggj s HIS 395 Ca 0.06 -1.15 0.06 0.00 -0.15 0.00 0.00 55.06 53.89 1ggj s HIS 395 Cb 0.10 -4.62 0.03 0.00 1.11 0.00 0.00 32.58 29.21 1ggj s HIS 395 CO 0.48 -1.73 0.44 0.96 -0.85 0.00 0.00 174.74 174.04 1ggj s ILE 396 N 5.52 1.83 0.12 0.60 -4.36 -1.26 -1.30 121.20 122.34 1ggj s ILE 396 Ca 0.56 -1.43 0.02 0.00 -0.26 0.00 0.00 60.65 59.53 1ggj s ILE 396 Cb 0.02 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1ggj s ILE 396 CO 0.06 0.00 -0.05 0.68 0.24 0.00 0.00 174.94 175.87 1ggj s VAL 397 N -2.73 0.68 0.19 8.37 -7.23 -1.26 -4.79 120.40 113.64 1ggj s VAL 397 Ca 0.39 -1.95 -0.32 0.00 -1.81 0.00 0.00 61.98 58.29 1ggj s VAL 397 Cb -0.02 -1.79 -0.15 0.00 0.56 0.00 0.00 36.38 34.98 1ggj s VAL 397 CO 0.24 -0.78 1.31 -2.65 -0.31 0.00 0.00 175.10 172.91 1ggj n PRO 398 N -0.09 1.60 0.00 4.82 -0.02 -1.26 -1.23 135.00 138.82 1ggj n PRO 398 Ca -0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1ggj n PRO 398 Cb 0.61 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1ggj n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ggj n GLY 399 N 2.21 0.75 3.39 -1.23 0.00 -1.26 -3.48 105.19 105.57 1ggj n GLY 399 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1ggj n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ggj s LEU 400 N 0.00 2.47 0.29 0.99 1.43 -0.37 -0.18 118.68 123.31 1ggj s LEU 400 Ca 0.00 -0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 1ggj s LEU 400 Cb 0.00 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1ggj s LEU 400 CO 0.00 0.03 0.70 -0.62 0.23 0.00 0.00 176.35 176.69 1ggj s ASP 401 N -2.88 -0.20 0.48 2.29 3.68 -0.20 -4.74 116.67 115.10 1ggj s ASP 401 Ca 0.21 -0.72 0.00 0.00 2.13 0.00 0.00 52.55 54.17 1ggj s ASP 401 Cb -0.06 0.73 0.05 0.00 -1.45 0.00 0.00 42.92 42.19 1ggj s ASP 401 CO 0.09 -1.37 0.34 0.49 0.13 0.00 0.00 175.17 174.86 1ggj n PHE 402 N -0.46 -3.18 -4.26 -5.34 3.01 -1.26 -0.87 117.46 105.10 1ggj n PHE 402 Ca -0.04 -0.63 -0.19 0.00 1.01 0.00 0.00 57.45 57.60 1ggj n PHE 402 Cb 0.59 -0.25 -0.07 0.00 -0.01 0.00 0.00 39.48 39.74 1ggj n PHE 402 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ggj s THR 403 N -0.87 0.00 -2.12 4.37 -4.23 -1.26 -4.18 115.64 107.35 1ggj s THR 403 Ca 0.23 -1.93 0.15 0.00 -1.18 0.00 0.00 61.69 58.96 1ggj s THR 403 Cb -0.01 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.67 1ggj s THR 403 CO 0.15 0.00 1.43 0.59 -0.54 0.00 0.00 174.62 176.25 1ggj n ASN 404 N -1.62 1.28 -4.62 3.99 3.02 -1.26 -4.71 115.26 111.34 1ggj n ASN 404 Ca 0.07 -1.78 -0.65 0.00 -0.03 0.00 0.00 54.58 52.19 1ggj n ASN 404 Cb 0.62 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.57 1ggj n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ggj n ASP 405 N 0.12 1.21 0.16 6.41 -0.08 -1.26 -4.79 116.55 118.31 1ggj n ASP 405 Ca 0.13 1.04 0.13 0.00 -1.51 0.00 0.00 54.79 54.58 1ggj n ASP 405 Cb 0.24 -0.91 0.53 0.00 2.34 0.00 0.00 41.12 43.31 1ggj n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ggj h PRO 406 N 6.30 0.00 0.00 -0.67 0.13 -1.77 0.11 132.00 136.10 1ggj h PRO 406 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1ggj h PRO 406 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1ggj h PRO 406 CO 1.01 0.00 -0.07 1.25 -0.23 0.00 0.00 178.00 179.96 1ggj h LEU 407 N 0.00 0.00 -0.72 1.56 5.85 -1.79 -2.62 115.31 117.59 1ggj h LEU 407 Ca 0.00 -0.65 0.11 0.00 0.84 0.00 0.00 57.88 58.18 1ggj h LEU 407 Cb 0.42 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1ggj h LEU 407 CO 0.00 0.87 0.34 0.25 -0.34 0.00 0.00 178.44 179.55 1ggj h LEU 408 N -1.00 0.41 -0.37 2.25 5.85 -1.84 -1.67 115.31 118.94 1ggj h LEU 408 Ca -0.02 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1ggj h LEU 408 Cb 0.70 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1ggj h LEU 408 CO -0.01 0.21 -0.05 1.56 -0.34 0.00 0.00 178.44 179.81 1ggj h GLN 409 N 0.55 0.04 0.00 1.25 1.08 -0.90 -2.01 115.11 115.12 1ggj h GLN 409 Ca 0.37 -0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.47 1ggj h GLN 409 Cb 0.44 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1ggj h GLN 409 CO -0.31 0.03 -0.44 0.78 -0.95 0.00 0.00 178.83 177.94 1ggj h GLY 410 N 0.04 0.00 1.41 3.46 0.00 -1.39 -3.02 103.07 103.57 1ggj h GLY 410 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1ggj h GLY 410 CO -0.35 0.00 0.32 3.21 0.00 0.00 0.00 176.54 179.72 1ggj h ARG 411 N 0.00 0.78 -0.62 4.80 3.08 -0.61 -2.35 114.38 119.47 1ggj h ARG 411 Ca -0.00 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.03 1ggj h ARG 411 Cb 0.96 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 1ggj h ARG 411 CO 0.06 0.57 0.41 -0.07 -1.07 0.00 0.00 179.97 179.87 1ggj h LEU 412 N 0.79 0.52 -0.14 3.04 3.38 -1.31 -2.08 115.31 119.51 1ggj h LEU 412 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1ggj h LEU 412 Cb 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ggj h LEU 412 CO -0.03 0.33 -0.26 0.15 0.09 0.00 0.00 178.44 178.72 1ggj h PHE 413 N 0.59 0.53 -0.35 1.13 3.57 -1.56 -3.40 116.94 117.44 1ggj h PHE 413 Ca 0.27 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1ggj h PHE 413 Cb 0.30 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1ggj h PHE 413 CO -0.00 0.88 -0.02 1.03 -2.23 0.00 0.00 178.31 177.97 1ggj h SER 414 N 0.02 0.63 0.66 0.41 0.87 -1.29 -3.15 113.55 111.70 1ggj h SER 414 Ca 0.01 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1ggj h SER 414 Cb 0.84 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1ggj h SER 414 CO 0.06 0.79 -0.16 1.88 -0.53 0.00 0.00 176.83 178.88 1ggj h TYR 415 N 0.44 0.00 0.12 2.24 0.05 -1.72 -1.91 116.97 116.19 1ggj h TYR 415 Ca 0.10 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.72 1ggj h TYR 415 Cb 0.48 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.24 1ggj h TYR 415 CO 0.04 0.16 -0.69 1.15 -1.05 0.00 0.00 178.16 177.77 1ggj h THR 416 N 0.00 1.56 0.18 -2.88 2.02 -1.78 -3.38 112.91 108.63 1ggj h THR 416 Ca -0.00 -2.51 0.01 0.00 0.77 0.00 0.00 66.41 64.69 1ggj h THR 416 Cb 0.53 3.23 -0.04 0.00 -1.74 0.00 0.00 68.15 70.13 1ggj h THR 416 CO 0.02 0.70 -0.45 -0.78 0.37 0.00 0.00 175.52 175.39 1ggj h ASP 417 N -0.47 -1.30 -1.01 4.18 3.58 -1.47 -3.09 116.42 116.84 1ggj h ASP 417 Ca -0.12 0.14 0.24 0.00 0.42 0.00 0.00 57.03 57.71 1ggj h ASP 417 Cb 1.54 0.48 -0.10 0.00 1.72 0.00 0.00 39.33 42.97 1ggj h ASP 417 CO 0.13 -0.52 0.64 0.00 -2.88 0.00 0.00 179.24 176.60 1ggj h THR 418 N -0.72 0.58 0.00 2.25 1.03 -1.54 -1.38 112.91 113.13 1ggj h THR 418 Ca 0.01 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1ggj h THR 418 Cb 0.72 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.83 1ggj h THR 418 CO -0.22 0.09 0.00 0.00 -0.01 0.00 0.00 175.52 175.38 1ggj n GLN 419 N -4.69 0.19 0.12 0.00 3.00 -1.17 -1.90 117.38 112.94 1ggj n GLN 419 Ca 0.25 0.12 0.02 0.00 -0.01 0.00 0.00 57.00 57.38 1ggj n GLN 419 Cb 0.77 -1.50 0.39 0.00 0.00 0.00 0.00 30.24 29.90 1ggj n GLN 419 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1ggj h ILE 420 N 0.00 1.18 0.01 5.09 1.08 -1.38 0.26 117.51 123.75 1ggj h ILE 420 Ca 0.00 -0.79 -0.40 0.00 -0.39 0.00 0.00 64.86 63.28 1ggj h ILE 420 Cb 0.24 1.23 -0.07 0.00 -3.07 0.00 0.00 36.82 35.16 1ggj h ILE 420 CO 0.00 0.25 -2.44 -1.54 -0.69 0.00 0.00 178.15 173.72 1ggj n SER 421 N -4.27 1.99 -0.15 1.72 3.41 -1.09 -1.75 113.62 113.48 1ggj n SER 421 Ca -0.01 -0.05 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 1ggj n SER 421 Cb 0.27 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1ggj n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ggj h ARG 422 N -0.13 0.63 -0.24 4.33 2.43 -1.32 -3.10 114.38 116.98 1ggj h ARG 422 Ca -0.58 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 1ggj h ARG 422 Cb 1.87 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 1ggj h ARG 422 CO -0.12 0.53 0.00 1.28 -1.51 0.00 0.00 179.97 180.15 1ggj n LEU 423 N -4.67 3.54 0.00 3.80 4.77 0.89 -4.31 117.00 121.03 1ggj n LEU 423 Ca 0.01 -2.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.13 1ggj n LEU 423 Cb 0.11 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1ggj n LEU 423 CO 0.36 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1ggj n GLY 424 N -0.46 0.72 0.00 -0.72 0.00 -1.14 -4.77 105.19 98.82 1ggj n GLY 424 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ggj n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ggj n GLY 425 N -2.06 -1.61 0.00 -0.02 0.00 -0.72 -4.78 105.19 96.00 1ggj n GLY 425 Ca 0.00 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.75 1ggj n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ggj n PRO 426 N -0.68 0.50 -0.89 1.61 -0.04 -1.26 -3.47 135.00 130.77 1ggj n PRO 426 Ca 0.00 -0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 1ggj n PRO 426 Cb 0.00 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.13 1ggj n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ggj n ASN 427 N -1.25 3.80 0.30 3.54 3.02 -1.26 -4.48 115.26 118.93 1ggj n ASN 427 Ca 0.15 -3.13 0.18 0.00 -0.03 0.00 0.00 54.58 51.76 1ggj n ASN 427 Cb 0.23 -0.74 0.90 0.00 -0.61 0.00 0.00 39.78 39.56 1ggj n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1ggj h PHE 428 N 1.25 0.00 0.00 3.10 -5.15 -1.86 -0.64 116.94 113.64 1ggj h PHE 428 Ca 0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 1ggj h PHE 428 Cb 2.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.45 1ggj h PHE 428 CO 1.15 0.03 0.00 1.12 -2.00 0.00 0.00 178.31 178.61 1ggj h HIS 429 N 0.00 0.00 -0.00 6.09 2.07 -1.90 -2.23 115.15 119.18 1ggj h HIS 429 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ggj h HIS 429 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 1ggj h HIS 429 CO 0.00 0.00 -0.28 0.39 -3.07 0.00 0.00 177.93 174.97 1ggj n GLU 430 N -2.66 0.13 -2.16 5.12 1.02 -0.25 -2.81 120.64 119.03 1ggj n GLU 430 Ca 0.01 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 1ggj n GLU 430 Cb 0.24 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1ggj n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ggj s ILE 431 N -2.91 3.49 0.15 -3.67 1.01 -0.84 -4.84 121.20 113.59 1ggj s ILE 431 Ca 0.15 0.95 -0.22 0.00 0.00 0.00 0.00 60.65 61.53 1ggj s ILE 431 Cb 0.18 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 39.07 1ggj s ILE 431 CO 0.61 0.02 1.29 -2.65 0.00 0.00 0.00 174.94 174.21 1ggj n PRO 432 N 5.01 -0.31 -0.13 2.79 -0.02 -1.26 0.02 135.00 141.09 1ggj n PRO 432 Ca 0.13 1.27 0.12 0.00 -2.02 0.00 0.00 63.50 63.00 1ggj n PRO 432 Cb 0.43 -1.87 0.48 0.00 -0.02 0.00 0.00 33.50 32.51 1ggj n PRO 432 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1ggj h ILE 433 N 0.00 0.87 0.00 4.25 6.09 -1.91 -1.94 117.51 124.88 1ggj h ILE 433 Ca 0.19 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.51 1ggj h ILE 433 Cb 0.39 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.04 1ggj h ILE 433 CO -0.80 0.09 -0.10 0.59 -3.07 0.00 0.00 178.15 174.86 1ggj n ASN 434 N -4.48 0.38 -4.74 2.19 3.02 0.10 -4.89 115.26 106.85 1ggj n ASN 434 Ca 0.12 0.42 -0.41 0.00 -0.03 0.00 0.00 54.58 54.68 1ggj n ASN 434 Cb 0.41 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 1ggj n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ggj s ARG 435 N -3.05 4.31 0.62 3.52 0.52 -0.73 -4.88 118.95 119.26 1ggj s ARG 435 Ca 0.12 2.21 -0.19 0.00 -0.52 0.00 0.00 55.73 57.35 1ggj s ARG 435 Cb 0.16 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.45 1ggj s ARG 435 CO 0.58 -0.39 1.30 -2.14 0.02 0.00 0.00 175.30 174.68 1ggj s PRO 436 N 0.02 2.73 0.10 3.54 0.02 -1.26 -4.93 135.00 135.22 1ggj s PRO 436 Ca 0.60 2.08 0.23 0.00 0.02 0.00 0.00 61.00 63.93 1ggj s PRO 436 Cb -0.40 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.18 1ggj s PRO 436 CO 0.39 -1.47 0.99 0.25 -0.33 0.00 0.00 177.00 176.83 1ggj n THR 437 N -1.67 0.34 -2.54 0.99 -2.24 -1.26 -4.90 114.28 103.00 1ggj n THR 437 Ca 0.14 -0.40 -0.27 0.00 -2.27 0.00 0.00 64.05 61.26 1ggj n THR 437 Cb 0.48 -0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1ggj n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ggj n PRO 439 N -2.42 1.11 -3.67 0.00 -0.02 -1.26 -5.03 135.00 123.72 1ggj n PRO 439 Ca 0.03 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1ggj n PRO 439 Cb 0.57 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 1ggj n PRO 439 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ggj s TYR 440 N -1.39 -0.72 -0.11 6.00 1.13 -1.26 -4.96 117.35 116.04 1ggj s TYR 440 Ca 0.82 1.41 -0.05 0.00 -1.41 0.00 0.00 57.07 57.84 1ggj s TYR 440 Cb -0.38 0.26 0.05 0.00 -1.10 0.00 0.00 41.96 40.78 1ggj s TYR 440 CO 0.41 -0.44 0.25 -1.01 -2.51 0.00 0.00 175.55 172.25 1ggj s HIS 441 N 2.37 -0.35 0.00 -3.49 3.76 -1.26 -5.16 115.29 111.16 1ggj s HIS 441 Ca -0.03 0.83 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 1ggj s HIS 441 Cb -0.11 0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.62 1ggj s HIS 441 CO -0.12 -0.26 0.00 0.27 -0.85 0.00 0.00 174.74 173.78 1ggj n ASN 442 N 4.42 0.00 -1.07 1.40 0.23 -1.26 -4.89 115.26 114.09 1ggj n ASN 442 Ca -0.22 -0.78 0.08 0.00 -0.53 0.00 0.00 54.58 53.13 1ggj n ASN 442 Cb 0.52 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.48 1ggj n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1ggj n PHE 443 N 0.00 0.93 -2.42 -2.53 3.01 -1.26 -4.92 117.46 110.27 1ggj n PHE 443 Ca 0.00 -0.60 -0.41 0.00 1.01 0.00 0.00 57.45 57.44 1ggj n PHE 443 Cb 0.00 -0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 39.29 1ggj n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1ggj s GLN 444 N -1.60 4.51 0.20 -1.08 -0.21 -1.26 -4.65 119.66 115.57 1ggj s GLN 444 Ca 0.39 1.81 0.01 0.00 0.02 0.00 0.00 55.36 57.59 1ggj s GLN 444 Cb 0.24 -3.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.94 1ggj s GLN 444 CO 0.19 -0.06 0.04 1.03 -2.12 0.00 0.00 175.29 174.37 1ggj s ARG 445 N -0.09 1.20 4.78 2.91 1.81 -1.26 -5.08 118.95 123.22 1ggj s ARG 445 Ca 0.53 -1.60 0.00 0.00 -1.72 0.00 0.00 55.73 52.93 1ggj s ARG 445 Cb -0.31 -0.21 0.00 0.00 -0.45 0.00 0.00 34.95 33.98 1ggj s ARG 445 CO 0.35 -0.20 0.00 -0.25 -0.68 0.00 0.00 175.30 174.52 1ggj n ASP 446 N -0.30 0.00 0.00 0.23 8.00 -1.26 -5.05 116.55 118.16 1ggj n ASP 446 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1ggj n ASP 446 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1ggj n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggj n GLY 447 N 0.00 -0.01 3.76 0.44 0.00 -1.26 -4.61 105.19 103.51 1ggj n GLY 447 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1ggj n GLY 447 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ggj n MET 448 N 0.15 2.62 -3.88 1.61 1.56 -1.26 -2.86 117.12 115.06 1ggj n MET 448 Ca 0.00 0.92 -0.29 0.00 -0.27 0.00 0.00 57.70 58.07 1ggj n MET 448 Cb 0.00 -2.64 0.00 0.00 2.15 0.00 0.00 33.22 32.73 1ggj n MET 448 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1ggj n HIS 449 N 0.65 -1.70 -2.02 1.12 -0.00 -1.26 -4.55 115.22 107.45 1ggj n HIS 449 Ca 0.03 0.61 -0.42 0.00 -0.00 0.00 0.00 57.72 57.93 1ggj n HIS 449 Cb 0.38 -3.58 -0.03 0.00 -0.00 0.00 0.00 29.99 26.76 1ggj n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1ggj s ARG 450 N -6.45 4.20 -0.21 1.57 6.06 -1.13 -4.90 118.95 118.09 1ggj s ARG 450 Ca 0.17 2.19 -0.21 0.00 -2.50 0.00 0.00 55.73 55.38 1ggj s ARG 450 Cb -0.07 -3.85 -0.19 0.00 0.06 0.00 0.00 34.95 30.91 1ggj s ARG 450 CO 0.89 -0.79 0.19 -1.33 -2.50 0.00 0.00 175.30 171.76 1ggj n MET 451 N 6.57 0.57 -1.76 5.12 2.81 -1.26 -4.91 117.12 124.24 1ggj n MET 451 Ca 0.16 0.57 -0.42 0.00 -1.81 0.00 0.00 57.70 56.20 1ggj n MET 451 Cb 0.42 -1.74 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1ggj n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ggj s GLY 452 N -4.88 1.39 -0.50 3.03 0.00 -1.26 -4.95 107.32 100.14 1ggj s GLY 452 Ca -0.29 1.39 -0.13 0.00 0.00 0.00 0.00 44.72 45.69 1ggj s GLY 452 CO 0.59 3.09 0.43 -0.42 0.00 0.00 0.00 173.10 176.78 1ggj s ILE 453 N 2.73 4.83 0.11 0.90 1.01 -1.26 -4.98 121.20 124.54 1ggj s ILE 453 Ca 0.79 -1.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 1ggj s ILE 453 Cb -0.45 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 37.87 1ggj s ILE 453 CO 0.35 -0.79 1.05 -1.81 0.00 0.00 0.00 174.94 173.74 1ggj s ASP 454 N 3.13 7.33 0.00 3.58 1.11 -1.26 -4.93 116.67 125.62 1ggj s ASP 454 Ca 0.04 1.91 0.15 0.00 0.18 0.00 0.00 52.55 54.83 1ggj s ASP 454 Cb -0.28 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.13 1ggj s ASP 454 CO 0.02 -0.21 0.83 0.35 1.18 0.00 0.00 175.17 177.34 1ggj n THR 455 N 2.99 0.00 -1.69 -1.27 -2.24 -1.26 -4.98 114.28 105.84 1ggj n THR 455 Ca 0.04 -0.36 -0.44 0.00 -2.27 0.00 0.00 64.05 61.02 1ggj n THR 455 Cb 0.48 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1ggj n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ggj n ASN 456 N -0.03 3.79 -0.26 3.42 2.85 -1.26 -4.87 115.26 118.90 1ggj n ASN 456 Ca 0.06 1.02 0.11 0.00 -0.11 0.00 0.00 54.58 55.66 1ggj n ASN 456 Cb 0.32 -1.51 0.37 0.00 1.24 0.00 0.00 39.78 40.20 1ggj n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ggj h PRO 457 N 7.68 0.70 -6.00 1.20 0.11 -1.93 -3.41 132.00 130.34 1ggj h PRO 457 Ca -0.46 -0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.03 1ggj h PRO 457 Cb 1.23 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1ggj h PRO 457 CO 0.94 0.46 -0.46 0.00 -0.21 0.00 0.00 178.00 178.73 1ggj s ALA 458 N -5.69 3.97 -0.08 -0.75 0.00 -1.26 -5.00 121.76 112.94 1ggj s ALA 458 Ca -0.10 -0.89 0.18 0.00 0.00 0.00 0.00 51.96 51.15 1ggj s ALA 458 Cb 0.22 -1.85 0.37 0.00 0.00 0.00 0.00 23.12 21.86 1ggj s ALA 458 CO 0.79 0.69 1.17 0.27 0.00 0.00 0.00 175.76 178.67 1ggj n ASN 459 N -0.09 1.22 -3.55 0.00 2.04 -1.26 -4.99 115.26 108.62 1ggj n ASN 459 Ca -0.05 -2.70 -0.11 0.00 -0.44 0.00 0.00 54.58 51.27 1ggj n ASN 459 Cb 0.52 -0.37 -0.04 0.00 -2.53 0.00 0.00 39.78 37.36 1ggj n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1ggj s TYR 460 N -1.27 -0.34 -0.03 -2.53 -0.85 -1.26 -4.79 117.35 106.28 1ggj s TYR 460 Ca 0.32 0.08 -0.07 0.00 -0.52 0.00 0.00 57.07 56.88 1ggj s TYR 460 Cb 0.34 0.37 0.01 0.00 0.38 0.00 0.00 41.96 43.06 1ggj s TYR 460 CO -0.11 -0.75 0.17 -1.83 -1.52 0.00 0.00 175.55 171.51 1ggj s GLU 461 N -3.69 0.36 0.40 -3.49 4.04 -1.26 -4.02 118.70 111.04 1ggj s GLU 461 Ca 0.02 -0.07 -0.24 0.00 0.04 0.00 0.00 54.97 54.72 1ggj s GLU 461 Cb 0.01 0.16 -0.09 0.00 0.02 0.00 0.00 34.13 34.22 1ggj s GLU 461 CO -0.12 -0.07 1.05 -1.25 -1.84 0.00 0.00 175.26 173.03 1ggj s PRO 462 N -0.65 4.16 0.05 -4.83 0.04 -1.26 -5.20 135.00 127.31 1ggj s PRO 462 Ca -0.07 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.50 1ggj s PRO 462 Cb -0.04 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1ggj s PRO 462 CO 0.01 -0.14 -0.10 0.54 0.04 0.00 0.00 177.00 177.34 1ggj s ASN 463 N -1.58 1.18 -0.04 6.66 2.20 -1.26 -5.02 114.94 117.09 1ggj s ASN 463 Ca 0.58 -0.55 0.18 0.00 -0.94 0.00 0.00 52.86 52.13 1ggj s ASN 463 Cb -0.22 -0.01 -0.28 0.00 -2.00 0.00 0.00 41.25 38.75 1ggj s ASN 463 CO 0.27 -0.13 0.36 -1.54 -2.94 0.00 0.00 177.10 173.12 1ggj n SER 464 N 1.48 0.79 0.26 3.54 3.41 -1.26 -1.27 113.62 120.58 1ggj n SER 464 Ca -0.22 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.54 1ggj n SER 464 Cb 0.55 1.73 0.66 0.00 -0.26 0.00 0.00 64.21 66.88 1ggj n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1ggj h ILE 465 N 0.00 0.25 -0.06 -1.33 3.07 -1.98 -2.25 117.51 115.20 1ggj h ILE 465 Ca -0.06 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 65.68 1ggj h ILE 465 Cb 0.99 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 1ggj h ILE 465 CO 0.00 0.08 0.00 -3.20 -1.05 0.00 0.00 178.15 173.99 1ggj n ASN 466 N -3.26 2.48 -3.35 2.16 5.15 -1.26 -4.89 115.26 112.28 1ggj n ASN 466 Ca -0.00 -2.67 -0.24 0.00 -0.60 0.00 0.00 54.58 51.07 1ggj n ASN 466 Cb 0.32 -0.30 0.06 0.00 -0.53 0.00 0.00 39.78 39.33 1ggj n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ggj n ASP 467 N -0.90 -6.16 -0.51 1.20 2.03 -0.85 -2.64 116.55 108.72 1ggj n ASP 467 Ca 0.11 -0.44 -0.07 0.00 0.52 0.00 0.00 54.79 54.92 1ggj n ASP 467 Cb 0.54 -4.91 -0.03 0.00 -0.72 0.00 0.00 41.12 36.00 1ggj n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ggj n ASN 468 N -2.78 -4.69 -4.85 1.67 5.15 -0.40 -4.99 115.26 104.38 1ggj n ASN 468 Ca -0.04 0.17 -0.34 0.00 -0.60 0.00 0.00 54.58 53.76 1ggj n ASN 468 Cb 0.59 -2.78 -0.06 0.00 -0.53 0.00 0.00 39.78 37.00 1ggj n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1ggj s TRP 469 N -1.96 3.55 0.40 1.20 0.52 -1.08 -3.45 118.94 118.12 1ggj s TRP 469 Ca 0.00 0.98 -0.25 0.00 0.02 0.00 0.00 56.10 56.85 1ggj s TRP 469 Cb 0.00 -2.32 -0.09 0.00 -1.15 0.00 0.00 33.47 29.92 1ggj s TRP 469 CO 0.00 0.39 1.13 -1.25 0.02 0.00 0.00 176.95 177.24 1ggj s PRO 470 N -2.19 4.10 0.06 4.98 0.04 -1.26 -4.88 135.00 135.86 1ggj s PRO 470 Ca 0.40 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.18 1ggj s PRO 470 Cb -0.14 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1ggj s PRO 470 CO 0.20 -0.25 0.22 1.03 0.04 0.00 0.00 177.00 178.23 1ggj s ARG 471 N -2.33 3.45 0.77 4.56 0.52 -1.22 -5.02 118.95 119.68 1ggj s ARG 471 Ca 0.57 -0.43 -0.14 0.00 -0.52 0.00 0.00 55.73 55.21 1ggj s ARG 471 Cb -0.28 -3.03 0.06 0.00 0.52 0.00 0.00 34.95 32.22 1ggj s ARG 471 CO 0.35 0.60 1.21 -1.21 0.02 0.00 0.00 175.30 176.28 1ggj s GLU 472 N -2.53 1.84 -0.10 3.54 2.02 -1.26 -5.03 118.70 117.18 1ggj s GLU 472 Ca 0.35 1.77 0.01 0.00 0.02 0.00 0.00 54.97 57.11 1ggj s GLU 472 Cb -0.13 -1.80 0.02 0.00 0.10 0.00 0.00 34.13 32.32 1ggj s GLU 472 CO 0.28 -2.06 -0.10 0.99 0.02 0.00 0.00 175.26 174.38 1ggj s THR 473 N -2.07 1.17 0.68 3.63 2.01 -1.26 -5.07 115.64 114.74 1ggj s THR 473 Ca 0.74 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 1ggj s THR 473 Cb -0.29 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1ggj s THR 473 CO 0.48 0.38 0.78 -2.65 -0.69 0.00 0.00 174.62 172.93 1ggj n PRO 474 N 4.55 0.51 -1.54 4.92 -0.02 -1.26 -1.67 135.00 140.49 1ggj n PRO 474 Ca -0.16 0.22 -0.34 0.00 -2.02 0.00 0.00 63.50 61.20 1ggj n PRO 474 Cb 0.51 -2.03 0.08 0.00 -0.02 0.00 0.00 33.50 32.03 1ggj n PRO 474 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ggj s PRO 475 N -2.91 2.36 0.14 0.52 0.04 -1.26 -2.15 135.00 131.75 1ggj s PRO 475 Ca 0.71 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 63.14 1ggj s PRO 475 Cb -0.37 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.37 1ggj s PRO 475 CO 0.52 -1.63 1.06 0.41 0.04 0.00 0.00 177.00 177.40 1ggj n GLY 476 N 0.06 0.54 0.31 0.56 0.00 -1.26 -4.80 105.19 100.59 1ggj n GLY 476 Ca 0.12 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 1ggj n GLY 476 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ggj h PRO 477 N 0.00 1.00 -3.50 1.61 0.11 -1.96 -3.40 132.00 125.85 1ggj h PRO 477 Ca -0.26 -0.26 -0.17 0.00 0.11 0.00 0.00 66.00 65.42 1ggj h PRO 477 Cb 1.18 -0.12 -0.23 0.00 0.11 0.00 0.00 31.00 31.93 1ggj h PRO 477 CO 0.35 0.93 -0.54 0.15 -0.21 0.00 0.00 178.00 178.68 1ggj s LYS 478 N -5.14 0.33 -1.46 1.05 1.02 -1.26 -4.82 119.74 109.45 1ggj s LYS 478 Ca -0.11 -0.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.70 1ggj s LYS 478 Cb 0.15 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.60 1ggj s LYS 478 CO 0.83 -0.07 0.17 0.54 -0.92 0.00 0.00 175.35 175.91 1ggj n ARG 479 N 2.14 -2.69 -3.28 1.68 5.12 -1.26 -4.98 116.66 113.40 1ggj n ARG 479 Ca -0.18 0.81 -0.18 0.00 -1.93 0.00 0.00 57.85 56.36 1ggj n ARG 479 Cb 0.57 -5.50 0.00 0.00 -1.16 0.00 0.00 32.46 26.37 1ggj n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ggj s GLY 480 N -2.24 1.72 0.70 -0.13 0.00 -1.26 -4.94 107.32 101.16 1ggj s GLY 480 Ca 0.10 -1.52 -0.11 0.00 0.00 0.00 0.00 44.72 43.20 1ggj s GLY 480 CO 0.13 -1.39 1.06 -0.32 0.00 0.00 0.00 173.10 172.57 1ggj s GLY 481 N -4.24 1.66 0.10 0.20 0.00 -0.67 -4.77 107.32 99.60 1ggj s GLY 481 Ca 0.49 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.97 1ggj s GLY 481 CO 0.32 0.38 1.19 -0.12 0.00 0.00 0.00 173.10 174.86 1ggj s PHE 482 N -3.06 3.46 -0.05 1.90 5.36 -1.26 -4.11 117.98 120.22 1ggj s PHE 482 Ca 0.58 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.93 1ggj s PHE 482 Cb -0.14 -3.40 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 1ggj s PHE 482 CO 0.55 -1.18 -0.08 -2.00 -1.46 0.00 0.00 175.22 171.05 1ggj s GLU 483 N 0.66 1.19 0.36 10.12 2.12 -1.26 -4.95 118.70 126.94 1ggj s GLU 483 Ca 0.57 -0.24 -0.27 0.00 0.36 0.00 0.00 54.97 55.39 1ggj s GLU 483 Cb -0.30 -1.07 -0.09 0.00 0.26 0.00 0.00 34.13 32.93 1ggj s GLU 483 CO 0.31 -0.03 1.20 -1.12 -0.54 0.00 0.00 175.26 175.08 1ggj s SER 484 N 0.78 6.70 0.22 -1.70 0.01 -1.26 -4.96 113.70 113.49 1ggj s SER 484 Ca -0.13 2.43 -0.32 0.00 1.31 0.00 0.00 55.95 59.24 1ggj s SER 484 Cb -0.15 -2.63 -0.13 0.00 0.21 0.00 0.00 66.02 63.33 1ggj s SER 484 CO 0.02 -0.56 1.63 0.00 0.41 0.00 0.00 173.24 174.74 1ggj n TYR 485 N 0.45 2.61 -1.82 2.43 9.36 -1.26 -4.85 117.16 124.08 1ggj n TYR 485 Ca 0.02 0.17 -0.41 0.00 3.32 0.00 0.00 57.90 61.01 1ggj n TYR 485 Cb 0.45 -2.61 -0.01 0.00 -0.63 0.00 0.00 39.34 36.55 1ggj n TYR 485 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1ggj n GLN 486 N 3.27 3.43 -2.01 2.98 6.02 -1.26 -4.95 117.38 124.85 1ggj n GLN 486 Ca 0.14 -2.84 -0.41 0.00 -0.01 0.00 0.00 57.00 53.88 1ggj n GLN 486 Cb 0.33 -3.02 -0.02 0.00 1.02 0.00 0.00 30.24 28.56 1ggj n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ggj s GLU 487 N 1.78 4.27 0.00 -1.09 2.12 -1.26 -4.95 118.70 119.57 1ggj s GLU 487 Ca 0.51 2.32 -0.30 0.00 0.36 0.00 0.00 54.97 57.86 1ggj s GLU 487 Cb 0.14 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 1ggj s GLU 487 CO -0.06 -0.34 1.23 0.50 -0.54 0.00 0.00 175.26 176.05 1ggj s ARG 488 N -1.38 4.37 -0.14 4.30 6.06 -1.26 -5.02 118.95 125.88 1ggj s ARG 488 Ca 0.53 1.76 -0.00 0.00 -2.50 0.00 0.00 55.73 55.52 1ggj s ARG 488 Cb -0.42 -3.47 -0.01 0.00 0.06 0.00 0.00 34.95 31.11 1ggj s ARG 488 CO 0.52 -0.39 -0.13 0.08 -2.50 0.00 0.00 175.30 172.88 1ggj s VAL 489 N 1.75 2.94 -0.24 7.11 1.01 -1.26 -5.09 120.40 126.62 1ggj s VAL 489 Ca 0.58 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1ggj s VAL 489 Cb -0.28 -2.24 0.13 0.00 0.00 0.00 0.00 36.38 33.99 1ggj s VAL 489 CO 0.26 0.51 0.36 -1.61 0.00 0.00 0.00 175.10 174.63 1ggj s GLU 490 N 0.57 0.33 0.00 2.72 2.02 -1.26 -5.14 118.70 117.94 1ggj s GLU 490 Ca -0.08 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.40 1ggj s GLU 490 Cb -0.16 -0.55 0.00 0.00 0.10 0.00 0.00 34.13 33.53 1ggj s GLU 490 CO 0.03 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1ggj n GLY 491 N 5.36 0.83 3.93 -1.39 0.00 -1.26 -5.16 105.19 107.50 1ggj n GLY 491 Ca -0.04 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1ggj n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ggj s ASN 492 N 0.00 6.16 -0.62 1.61 -0.87 -1.26 -4.99 114.94 114.97 1ggj s ASN 492 Ca 0.00 0.58 -0.27 0.00 -1.57 0.00 0.00 52.86 51.60 1ggj s ASN 492 Cb 0.00 -1.99 -0.01 0.00 -0.02 0.00 0.00 41.25 39.23 1ggj s ASN 492 CO 0.00 -0.50 1.74 -0.54 -2.57 0.00 0.00 177.10 175.23 1ggj s LYS 493 N -4.53 2.79 0.11 -0.60 1.02 -1.26 -4.95 119.74 112.32 1ggj s LYS 493 Ca 0.45 0.49 0.06 0.00 0.02 0.00 0.00 55.97 56.99 1ggj s LYS 493 Cb -0.10 -4.33 -0.04 0.00 -0.52 0.00 0.00 37.83 32.85 1ggj s LYS 493 CO 0.40 -2.55 -0.15 0.14 -0.92 0.00 0.00 175.35 172.26 1ggj s VAL 494 N 8.26 1.35 -1.00 3.17 -7.23 -1.26 -5.06 120.40 118.63 1ggj s VAL 494 Ca 0.62 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 1ggj s VAL 494 Cb -0.12 -1.43 0.25 0.00 0.56 0.00 0.00 36.38 35.63 1ggj s VAL 494 CO 0.21 -0.32 0.93 0.54 -0.31 0.00 0.00 175.10 176.15 1ggj n ARG 495 N 0.78 3.04 -3.86 4.82 1.74 -1.26 -5.01 116.66 116.91 1ggj n ARG 495 Ca -0.17 -4.47 -0.12 0.00 -0.77 0.00 0.00 57.85 52.31 1ggj n ARG 495 Cb 0.56 -2.47 -0.14 0.00 -1.02 0.00 0.00 32.46 29.38 1ggj n ARG 495 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ggj s GLU 496 N -1.36 0.00 0.15 5.56 2.12 -1.26 -5.14 118.70 118.77 1ggj s GLU 496 Ca 0.29 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.34 1ggj s GLU 496 Cb -0.08 -0.02 -0.07 0.00 0.26 0.00 0.00 34.13 34.22 1ggj s GLU 496 CO -0.11 -0.01 1.03 0.50 -0.54 0.00 0.00 175.26 176.13 1ggj s ARG 497 N 0.09 4.65 0.38 4.30 6.06 -1.26 -4.99 118.95 128.18 1ggj s ARG 497 Ca -0.01 1.58 -0.28 0.00 -2.50 0.00 0.00 55.73 54.53 1ggj s ARG 497 Cb -0.01 -3.33 -0.10 0.00 0.06 0.00 0.00 34.95 31.57 1ggj s ARG 497 CO -0.00 0.15 1.42 0.45 -2.50 0.00 0.00 175.30 174.82 1ggj s SER 498 N -0.07 6.35 0.47 -2.12 0.15 -1.26 -4.87 113.70 112.35 1ggj s SER 498 Ca 0.48 2.92 0.14 0.00 0.70 0.00 0.00 55.95 60.19 1ggj s SER 498 Cb -0.26 -2.66 1.09 0.00 -1.71 0.00 0.00 66.02 62.48 1ggj s SER 498 CO 0.32 -0.86 2.07 -0.65 1.20 0.00 0.00 173.24 175.33 1ggj h PRO 499 N 2.93 0.10 0.00 5.44 0.11 -2.00 -1.82 132.00 136.76 1ggj h PRO 499 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ggj h PRO 499 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ggj h PRO 499 CO 0.64 0.13 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 1ggj h SER 500 N 0.10 0.00 0.67 -2.05 4.64 -2.01 0.09 113.55 114.99 1ggj h SER 500 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ggj h SER 500 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ggj h SER 500 CO 0.00 0.00 -0.54 0.49 -0.87 0.00 0.00 176.83 175.91 1ggj n PHE 501 N -2.57 0.23 -0.53 4.77 3.01 -0.69 -4.26 117.46 117.43 1ggj n PHE 501 Ca 0.00 0.07 -0.04 0.00 1.01 0.00 0.00 57.45 58.50 1ggj n PHE 501 Cb 0.20 -0.44 -0.05 0.00 -0.01 0.00 0.00 39.48 39.18 1ggj n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ggj n GLY 502 N 1.43 2.21 2.73 1.37 0.00 0.02 -4.71 105.19 108.23 1ggj n GLY 502 Ca 0.05 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 1ggj n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ggj s GLU 503 N 0.91 0.21 0.00 1.61 -6.30 -1.26 -5.06 118.70 108.81 1ggj s GLU 503 Ca 0.21 0.23 0.00 0.00 -2.50 0.00 0.00 54.97 52.91 1ggj s GLU 503 Cb 0.10 -0.65 -0.00 0.00 0.00 0.00 0.00 34.13 33.58 1ggj s GLU 503 CO 0.00 -0.28 0.12 0.66 0.02 0.00 0.00 175.26 175.78 1ggj n TYR 504 N 5.01 0.00 -0.02 5.30 4.01 -1.26 -4.86 117.16 125.34 1ggj n TYR 504 Ca -0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.69 1ggj n TYR 504 Cb 0.50 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.43 1ggj n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ggj n TYR 505 N -0.80 0.00 -0.30 -0.72 4.01 -1.26 -4.54 117.16 113.56 1ggj n TYR 505 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1ggj n TYR 505 Cb 0.01 -0.35 0.08 0.00 -0.31 0.00 0.00 39.34 38.77 1ggj n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ggj h SER 506 N 0.00 1.10 -0.08 7.72 4.64 -1.89 -1.57 113.55 123.47 1ggj h SER 506 Ca -0.07 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 1ggj h SER 506 Cb 0.81 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1ggj h SER 506 CO 0.00 0.95 -0.15 0.45 -0.87 0.00 0.00 176.83 177.20 1ggj h HIS 507 N 1.18 0.30 -0.75 4.77 3.86 -1.90 -0.51 115.15 122.09 1ggj h HIS 507 Ca 0.28 -0.11 0.17 0.00 -1.16 0.00 0.00 60.37 59.55 1ggj h HIS 507 Cb 0.17 -0.06 -0.12 0.00 1.06 0.00 0.00 27.41 28.46 1ggj h HIS 507 CO 0.02 0.76 0.14 -1.35 0.86 0.00 0.00 177.93 178.35 1ggj h PRO 508 N -0.24 0.21 -0.28 2.45 0.11 -1.79 0.16 132.00 132.62 1ggj h PRO 508 Ca 0.00 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.95 1ggj h PRO 508 Cb 0.74 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1ggj h PRO 508 CO 0.03 0.14 -0.40 -0.09 -0.21 0.00 0.00 178.00 177.47 1ggj h ARG 509 N 0.22 0.76 -0.50 1.05 2.43 -1.14 -0.57 114.38 116.63 1ggj h ARG 509 Ca 0.43 -0.45 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1ggj h ARG 509 Cb 0.76 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 1ggj h ARG 509 CO -0.56 1.08 0.15 1.25 -1.51 0.00 0.00 179.97 180.38 1ggj h LEU 510 N 0.51 0.12 0.07 3.80 5.85 0.11 -0.87 115.31 124.90 1ggj h LEU 510 Ca 0.03 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ggj h LEU 510 Cb 1.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1ggj h LEU 510 CO 0.09 0.09 -0.03 0.15 -0.34 0.00 0.00 178.44 178.40 1ggj h PHE 511 N 0.31 -0.09 -0.35 1.25 3.04 -0.59 -2.48 116.94 118.03 1ggj h PHE 511 Ca 0.24 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.26 1ggj h PHE 511 Cb 0.29 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.76 1ggj h PHE 511 CO -0.18 -0.03 -0.04 2.35 -2.02 0.00 0.00 178.31 178.39 1ggj h TRP 512 N -0.13 -0.10 0.00 0.41 2.91 -0.63 -2.09 115.95 116.31 1ggj h TRP 512 Ca -0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1ggj h TRP 512 Cb 0.10 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1ggj h TRP 512 CO -0.06 -0.11 0.00 -0.07 -1.03 0.00 0.00 178.44 177.17 1ggj h LEU 513 N 0.05 0.00 0.00 0.65 3.38 -1.07 -2.75 115.31 115.56 1ggj h LEU 513 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ggj h LEU 513 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ggj h LEU 513 CO -0.32 0.00 -0.23 -1.20 0.09 0.00 0.00 178.44 176.78 1ggj n SER 514 N -2.70 0.29 -4.86 -0.43 7.64 -0.79 -4.85 113.62 107.91 1ggj n SER 514 Ca 0.01 0.20 -0.31 0.00 1.01 0.00 0.00 58.87 59.78 1ggj n SER 514 Cb 0.26 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 1ggj n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ggj s GLN 515 N -3.02 3.88 0.89 1.43 -1.52 -1.04 -4.27 119.66 116.01 1ggj s GLN 515 Ca 0.12 0.60 -0.12 0.00 -1.95 0.00 0.00 55.36 54.02 1ggj s GLN 515 Cb 0.18 -2.37 0.12 0.00 -0.22 0.00 0.00 33.01 30.72 1ggj s GLN 515 CO 0.61 -0.00 1.10 0.95 -0.25 0.00 0.00 175.29 177.70 1ggj s THR 516 N -2.28 2.56 0.22 -0.19 -4.23 -1.26 -4.76 115.64 105.70 1ggj s THR 516 Ca 0.53 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 1ggj s THR 516 Cb -0.10 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 71.10 1ggj s THR 516 CO 0.26 -0.24 1.78 -0.65 -0.54 0.00 0.00 174.62 175.24 1ggj h PRO 517 N -1.46 0.57 -0.07 3.99 0.11 -1.97 0.11 132.00 133.28 1ggj h PRO 517 Ca -0.50 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 1ggj h PRO 517 Cb 1.30 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1ggj h PRO 517 CO 0.58 0.37 -0.49 0.27 -0.21 0.00 0.00 178.00 178.53 1ggj h PHE 518 N 0.58 0.20 -0.43 0.65 -0.00 -1.97 -1.97 116.94 114.01 1ggj h PHE 518 Ca 0.33 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.97 58.11 1ggj h PHE 518 Cb 0.32 -0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 36.21 1ggj h PHE 518 CO -0.11 0.62 -0.21 0.93 -0.00 0.00 0.00 178.31 179.54 1ggj h GLU 519 N 0.14 0.87 -0.57 6.09 5.08 -1.62 -2.03 114.58 122.53 1ggj h GLU 519 Ca 0.01 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1ggj h GLU 519 Cb 0.91 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1ggj h GLU 519 CO 0.07 1.00 0.32 1.96 -1.00 0.00 0.00 179.01 181.36 1ggj h GLN 520 N 0.76 0.79 -0.62 2.33 4.20 -0.53 -0.71 115.11 121.33 1ggj h GLN 520 Ca 0.10 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1ggj h GLN 520 Cb 0.75 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1ggj h GLN 520 CO 0.06 0.59 0.41 -0.09 -0.67 0.00 0.00 178.83 179.13 1ggj h ARG 521 N 0.77 0.80 -0.54 1.46 2.43 -1.21 -1.23 114.38 116.86 1ggj h ARG 521 Ca 0.20 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1ggj h ARG 521 Cb 0.02 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1ggj h ARG 521 CO -0.03 0.53 0.16 0.45 -1.51 0.00 0.00 179.97 179.57 1ggj h HIS 522 N 0.83 0.83 -0.22 2.20 3.86 -0.86 0.28 115.15 122.07 1ggj h HIS 522 Ca 0.23 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1ggj h HIS 522 Cb -0.08 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 1ggj h HIS 522 CO -0.03 0.68 0.10 0.82 0.86 0.00 0.00 177.93 180.35 1ggj h ILE 523 N 0.79 1.14 -0.15 2.45 2.04 -0.75 -0.48 117.51 122.55 1ggj h ILE 523 Ca 0.18 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1ggj h ILE 523 Cb 0.24 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1ggj h ILE 523 CO -0.01 0.14 -0.10 0.58 0.00 0.00 0.00 178.15 178.76 1ggj h VAL 524 N 0.22 0.71 -0.56 1.67 2.07 -0.31 -1.68 116.25 118.37 1ggj h VAL 524 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1ggj h VAL 524 Cb 0.13 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1ggj h VAL 524 CO -0.01 0.00 0.26 0.44 0.02 0.00 0.00 177.57 178.28 1ggj h ASP 525 N -0.09 0.71 0.15 0.57 3.45 -0.24 -0.45 116.42 120.51 1ggj h ASP 525 Ca 0.09 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 1ggj h ASP 525 Cb 0.23 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1ggj h ASP 525 CO -0.21 0.61 -0.07 1.23 -1.57 0.00 0.00 179.24 179.22 1ggj h GLY 526 N 0.89 -0.21 1.01 2.75 0.00 -0.66 0.79 103.07 107.64 1ggj h GLY 526 Ca 0.19 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1ggj h GLY 526 CO -0.02 -0.08 0.47 0.74 0.00 0.00 0.00 176.54 177.65 1ggj h PHE 527 N -0.42 1.06 -0.31 5.60 0.04 -1.10 -0.84 116.94 120.97 1ggj h PHE 527 Ca -0.02 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 1ggj h PHE 527 Cb 0.33 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1ggj h PHE 527 CO -0.00 0.72 0.06 0.77 -0.60 0.00 0.00 178.31 179.25 1ggj h SER 528 N 1.09 0.49 0.55 2.17 0.02 -0.98 -0.31 113.55 116.59 1ggj h SER 528 Ca 0.28 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1ggj h SER 528 Cb -0.02 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1ggj h SER 528 CO -0.05 0.62 -0.31 0.15 -1.14 0.00 0.00 176.83 176.10 1ggj h PHE 529 N 0.34 -0.82 -0.05 3.45 3.04 -0.68 -1.87 116.94 120.34 1ggj h PHE 529 Ca 0.10 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.06 1ggj h PHE 529 Cb 0.33 0.29 -0.04 0.00 2.56 0.00 0.00 35.95 39.09 1ggj h PHE 529 CO 0.02 -0.49 -0.14 0.93 -2.02 0.00 0.00 178.31 176.61 1ggj h GLU 530 N -0.81 -0.20 0.00 1.11 4.39 -1.09 -2.33 114.58 115.65 1ggj h GLU 530 Ca -0.07 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1ggj h GLU 530 Cb 0.65 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1ggj h GLU 530 CO 0.09 -0.13 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.60 1ggj h LEU 531 N -0.21 0.00 -2.27 1.33 3.38 -1.07 -1.09 115.31 115.38 1ggj h LEU 531 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ggj h LEU 531 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ggj h LEU 531 CO -0.18 0.14 -0.03 0.77 0.09 0.00 0.00 178.44 179.23 1ggj h SER 532 N 0.00 0.00 0.14 -0.43 4.64 -0.76 -1.60 113.55 115.55 1ggj h SER 532 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ggj h SER 532 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1ggj h SER 532 CO 0.02 0.03 -0.20 0.29 -0.87 0.00 0.00 176.83 176.09 1ggj n LYS 533 N -3.25 1.12 -2.81 4.77 4.76 -0.42 -4.79 118.16 117.55 1ggj n LYS 533 Ca -0.02 -0.70 -0.42 0.00 -2.87 0.00 0.00 58.31 54.30 1ggj n LYS 533 Cb 0.18 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 1ggj n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ggj s VAL 534 N -2.36 4.63 0.12 -0.18 1.01 -0.60 -4.53 120.40 118.49 1ggj s VAL 534 Ca 0.27 1.32 -0.14 0.00 0.00 0.00 0.00 61.98 63.44 1ggj s VAL 534 Cb 0.20 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1ggj s VAL 534 CO 0.47 -0.43 1.51 0.58 0.00 0.00 0.00 175.10 177.24 1ggj h VAL 535 N 5.73 1.28 -3.65 2.92 2.07 -1.86 -3.41 116.25 119.33 1ggj h VAL 535 Ca -0.23 -1.23 -0.57 0.00 0.82 0.00 0.00 66.70 65.49 1ggj h VAL 535 Cb 1.08 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 32.05 1ggj h VAL 535 CO 0.96 0.41 0.85 -0.13 0.02 0.00 0.00 177.57 179.68 1ggj s ARG 536 N -4.72 3.74 0.46 1.57 0.52 -1.26 -4.93 118.95 114.34 1ggj s ARG 536 Ca -0.12 0.57 0.12 0.00 -0.52 0.00 0.00 55.73 55.77 1ggj s ARG 536 Cb 0.10 -3.88 1.06 0.00 0.52 0.00 0.00 34.95 32.74 1ggj s ARG 536 CO 0.82 -1.28 2.09 -1.35 0.02 0.00 0.00 175.30 175.60 1ggj h PRO 537 N 9.03 0.23 -0.30 3.54 0.11 -1.98 -2.12 132.00 140.52 1ggj h PRO 537 Ca -0.23 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 1ggj h PRO 537 Cb 1.06 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1ggj h PRO 537 CO 1.09 0.18 -0.01 0.10 -0.21 0.00 0.00 178.00 179.16 1ggj h TYR 538 N 0.24 0.47 -0.31 0.65 -0.00 -1.96 -1.05 116.97 115.00 1ggj h TYR 538 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 58.73 58.74 1ggj h TYR 538 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 36.73 36.60 1ggj h TYR 538 CO 0.00 0.47 0.14 0.82 -0.00 0.00 0.00 178.16 179.59 1ggj h ILE 539 N 0.44 1.17 -0.53 -0.90 2.04 -1.79 -0.29 117.51 117.64 1ggj h ILE 539 Ca 0.10 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1ggj h ILE 539 Cb 0.30 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1ggj h ILE 539 CO 0.01 0.18 0.28 0.03 0.00 0.00 0.00 178.15 178.65 1ggj h ARG 540 N 0.36 0.54 -0.80 2.37 3.08 -1.22 -1.71 114.38 117.00 1ggj h ARG 540 Ca 0.11 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ggj h ARG 540 Cb 0.15 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1ggj h ARG 540 CO -0.01 0.35 0.48 0.93 -1.07 0.00 0.00 179.97 180.66 1ggj h GLU 541 N 0.55 1.08 -0.82 0.04 5.08 -1.11 -0.75 114.58 118.65 1ggj h GLU 541 Ca 0.23 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1ggj h GLU 541 Cb 0.11 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1ggj h GLU 541 CO -0.14 0.76 0.39 0.00 -1.00 0.00 0.00 179.01 179.02 1ggj h ARG 542 N 1.09 1.18 -0.49 2.33 3.08 -0.47 -0.85 114.38 120.26 1ggj h ARG 542 Ca 0.29 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 1ggj h ARG 542 Cb -0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1ggj h ARG 542 CO -0.05 0.91 -0.11 0.28 -1.07 0.00 0.00 179.97 179.92 1ggj h VAL 543 N 1.17 1.27 -0.86 2.04 2.07 -0.91 -1.90 116.25 119.13 1ggj h VAL 543 Ca 0.28 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1ggj h VAL 543 Cb 0.12 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1ggj h VAL 543 CO -0.03 0.43 0.48 0.58 0.02 0.00 0.00 177.57 179.05 1ggj h VAL 544 N 0.80 1.25 -0.75 2.57 2.07 -0.76 0.13 116.25 121.56 1ggj h VAL 544 Ca 0.12 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1ggj h VAL 544 Cb 0.67 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1ggj h VAL 544 CO 0.05 0.27 0.47 -0.78 0.02 0.00 0.00 177.57 177.60 1ggj h ASP 545 N 1.19 0.75 -0.34 0.57 1.82 -0.95 -0.75 116.42 118.72 1ggj h ASP 545 Ca 0.30 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.87 1ggj h ASP 545 Cb 0.01 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.84 1ggj h ASP 545 CO -0.05 0.51 -0.06 1.56 -1.61 0.00 0.00 179.24 179.59 1ggj h GLN 546 N 0.89 0.74 -0.26 0.28 1.08 -0.43 -2.34 115.11 115.07 1ggj h GLN 546 Ca 0.31 -0.22 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1ggj h GLN 546 Cb 0.06 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1ggj h GLN 546 CO -0.13 0.79 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.42 1ggj h LEU 547 N 0.68 0.39 -1.13 1.46 3.38 0.35 -1.57 115.31 118.88 1ggj h LEU 547 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ggj h LEU 547 Cb 0.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ggj h LEU 547 CO 0.03 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.05 1ggj h ALA 548 N 1.55 1.00 0.00 1.53 0.00 -0.62 0.44 119.26 123.17 1ggj h ALA 548 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ggj h ALA 548 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ggj h ALA 548 CO 0.02 0.00 -0.33 0.72 0.00 0.00 0.00 179.25 179.65 1ggj n HIS 549 N -2.37 0.12 -0.11 0.00 8.25 -0.59 -4.26 115.22 116.26 1ggj n HIS 549 Ca 0.01 0.03 -0.17 0.00 -0.26 0.00 0.00 57.72 57.33 1ggj n HIS 549 Cb 0.16 -0.42 -0.06 0.00 1.12 0.00 0.00 29.99 30.80 1ggj n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ggj n ILE 550 N -1.62 1.51 -3.63 1.59 5.41 0.04 -4.20 119.36 118.46 1ggj n ILE 550 Ca 0.06 -0.05 -0.05 0.00 1.00 0.00 0.00 62.75 63.71 1ggj n ILE 550 Cb 0.35 -2.17 -0.06 0.00 -0.71 0.00 0.00 39.64 37.05 1ggj n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ggj s ASP 551 N -6.50 -0.89 0.28 4.38 -1.08 -0.57 -4.60 116.67 107.68 1ggj s ASP 551 Ca -0.32 1.39 0.06 0.00 -0.52 0.00 0.00 52.55 53.15 1ggj s ASP 551 Cb 0.08 1.52 0.41 0.00 -1.46 0.00 0.00 42.92 43.47 1ggj s ASP 551 CO 0.45 -0.21 1.67 -0.07 0.52 0.00 0.00 175.17 177.53 1ggj h LEU 552 N 7.03 0.27 -0.43 -1.34 4.07 -1.80 -0.13 115.31 122.96 1ggj h LEU 552 Ca -0.27 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.56 1ggj h LEU 552 Cb 1.20 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 1ggj h LEU 552 CO 0.15 0.68 0.22 0.74 -1.08 0.00 0.00 178.44 179.15 1ggj h THR 553 N 0.21 1.17 0.06 0.22 2.02 -1.97 0.29 112.91 114.91 1ggj h THR 553 Ca 0.02 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1ggj h THR 553 Cb 0.87 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1ggj h THR 553 CO 0.07 0.19 -0.03 0.25 0.37 0.00 0.00 175.52 176.36 1ggj h LEU 554 N 0.56 -0.07 -0.36 2.58 5.85 -1.89 -1.56 115.31 120.43 1ggj h LEU 554 Ca 0.15 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1ggj h LEU 554 Cb 0.10 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1ggj h LEU 554 CO -0.02 0.21 0.04 0.00 -0.34 0.00 0.00 178.44 178.33 1ggj h ALA 555 N 0.55 0.36 -0.54 1.25 0.00 -0.86 -2.07 119.26 117.94 1ggj h ALA 555 Ca -0.01 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ggj h ALA 555 Cb 0.32 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ggj h ALA 555 CO 0.01 -0.36 0.09 1.96 0.00 0.00 0.00 179.25 180.95 1ggj h GLN 556 N 0.15 0.86 -0.54 0.00 4.20 -0.44 -0.20 115.11 119.13 1ggj h GLN 556 Ca 0.17 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1ggj h GLN 556 Cb 0.21 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1ggj h GLN 556 CO -0.25 0.80 -0.12 0.00 -0.67 0.00 0.00 178.83 178.60 1ggj h ALA 557 N 1.28 0.76 -0.08 3.87 0.00 -0.65 -1.97 119.26 122.47 1ggj h ALA 557 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ggj h ALA 557 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ggj h ALA 557 CO 0.01 0.68 -0.05 0.28 0.00 0.00 0.00 179.25 180.16 1ggj h VAL 558 N 0.92 1.34 -0.84 0.00 2.07 -1.24 -3.03 116.25 115.46 1ggj h VAL 558 Ca 0.14 -1.11 0.15 0.00 0.82 0.00 0.00 66.70 66.70 1ggj h VAL 558 Cb 0.69 1.90 -0.10 0.00 -1.52 0.00 0.00 31.29 32.26 1ggj h VAL 558 CO 0.05 0.31 0.42 0.00 0.02 0.00 0.00 177.57 178.36 1ggj h ALA 559 N 0.61 1.26 -0.77 1.67 0.00 -1.00 -1.15 119.26 119.88 1ggj h ALA 559 Ca 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ggj h ALA 559 Cb 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ggj h ALA 559 CO 0.01 -0.12 0.29 -0.22 0.00 0.00 0.00 179.25 179.21 1ggj h LYS 560 N 0.58 1.17 0.00 0.00 3.64 -1.34 0.51 116.57 121.13 1ggj h LYS 560 Ca 0.46 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1ggj h LYS 560 Cb 0.68 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1ggj h LYS 560 CO -0.38 0.96 -0.17 -0.91 -2.27 0.00 0.00 179.45 176.68 1ggj h ASN 561 N 1.13 0.00 -0.12 4.20 2.35 -1.12 -2.61 115.58 119.40 1ggj h ASN 561 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1ggj h ASN 561 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1ggj h ASN 561 CO -0.02 0.17 0.00 0.18 -1.65 0.00 0.00 177.43 176.11 1ggj n LEU 562 N -3.46 2.77 -2.13 1.61 4.77 -0.68 -4.94 117.00 114.93 1ggj n LEU 562 Ca -0.01 -1.01 -0.16 0.00 -0.03 0.00 0.00 56.01 54.80 1ggj n LEU 562 Cb 0.34 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1ggj n LEU 562 CO 0.31 0.51 -0.06 0.61 -1.33 0.00 0.00 177.39 177.43 1ggj n GLY 563 N 1.34 -0.23 3.70 -0.72 0.00 -0.47 -5.00 105.19 103.81 1ggj n GLY 563 Ca 0.16 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1ggj n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggj s ILE 564 N -2.94 4.31 -0.24 -0.61 1.01 0.17 -5.00 121.20 117.89 1ggj s ILE 564 Ca 0.16 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 1ggj s ILE 564 Cb -0.07 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1ggj s ILE 564 CO 0.20 0.43 0.09 -0.70 0.00 0.00 0.00 174.94 174.95 1ggj s GLU 565 N -1.43 3.73 0.28 2.79 2.56 -1.26 -3.90 118.70 121.48 1ggj s GLU 565 Ca 0.19 -0.44 -0.29 0.00 0.00 0.00 0.00 54.97 54.42 1ggj s GLU 565 Cb -0.12 -3.36 -0.10 0.00 2.00 0.00 0.00 34.13 32.56 1ggj s GLU 565 CO 0.09 -0.13 1.33 -0.51 -0.56 0.00 0.00 175.26 175.48 1ggj s LEU 566 N 1.48 4.42 0.86 2.70 1.43 -1.26 -5.01 118.68 123.29 1ggj s LEU 566 Ca 0.06 2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 55.64 1ggj s LEU 566 Cb -0.15 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.54 1ggj s LEU 566 CO 0.04 -0.55 1.15 0.42 0.23 0.00 0.00 176.35 177.65 1ggj s THR 567 N -0.64 2.08 0.25 5.49 -4.23 -1.26 -4.86 115.64 112.47 1ggj s THR 567 Ca 0.52 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 61.01 1ggj s THR 567 Cb -0.39 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 70.71 1ggj s THR 567 CO 0.47 -0.03 1.80 0.44 -0.54 0.00 0.00 174.62 176.76 1ggj h ASP 568 N -1.27 0.95 -0.75 3.99 3.32 -1.99 -1.09 116.42 119.58 1ggj h ASP 568 Ca -0.48 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.36 1ggj h ASP 568 Cb 1.33 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1ggj h ASP 568 CO 0.64 0.88 0.30 0.44 -1.72 0.00 0.00 179.24 179.77 1ggj h ASP 569 N 0.99 1.03 -0.72 6.45 3.45 -1.96 -1.80 116.42 123.85 1ggj h ASP 569 Ca 0.22 -0.17 -0.07 0.00 0.43 0.00 0.00 57.03 57.44 1ggj h ASP 569 Cb 0.26 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 1ggj h ASP 569 CO -0.01 0.92 0.19 1.56 -1.57 0.00 0.00 179.24 180.34 1ggj h GLN 570 N 1.08 1.15 0.00 3.56 4.20 -1.80 -2.03 115.11 121.27 1ggj h GLN 570 Ca 0.25 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1ggj h GLN 570 Cb 0.22 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1ggj h GLN 570 CO -0.02 1.00 -0.06 -0.07 -0.67 0.00 0.00 178.83 179.01 1ggj h LEU 571 N 1.09 0.00 -3.13 1.46 3.38 -0.75 -2.64 115.31 114.73 1ggj h LEU 571 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ggj h LEU 571 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ggj h LEU 571 CO -0.00 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.18 1ggj n ASN 572 N -3.26 4.79 -4.69 -0.43 3.02 -0.72 -4.95 115.26 109.02 1ggj n ASN 572 Ca -0.01 -2.43 -0.42 0.00 -0.03 0.00 0.00 54.58 51.69 1ggj n ASN 572 Cb 0.26 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 1ggj n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ggj s ILE 573 N -1.81 3.94 0.06 2.41 1.01 -1.00 -4.97 121.20 120.85 1ggj s ILE 573 Ca 0.52 1.33 -0.31 0.00 0.00 0.00 0.00 60.65 62.19 1ggj s ILE 573 Cb 0.33 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 1ggj s ILE 573 CO 0.26 0.02 1.37 -0.89 0.00 0.00 0.00 174.94 175.70 1ggj s THR 574 N 2.05 3.55 0.58 2.92 2.01 -1.26 -4.97 115.64 120.51 1ggj s THR 574 Ca 0.60 1.05 -0.19 0.00 0.31 0.00 0.00 61.69 63.46 1ggj s THR 574 Cb -0.29 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1ggj s THR 574 CO 0.25 0.05 1.01 -0.81 -0.69 0.00 0.00 174.62 174.43 1ggj n PRO 575 N 4.51 1.02 -1.55 4.92 -0.04 -1.26 -4.95 135.00 137.64 1ggj n PRO 575 Ca 0.12 0.39 -0.34 0.00 -0.04 0.00 0.00 63.50 63.63 1ggj n PRO 575 Cb 0.43 -2.20 0.08 0.00 -0.04 0.00 0.00 33.50 31.77 1ggj n PRO 575 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1ggj s PRO 576 N -2.71 2.36 0.82 0.54 0.04 -1.26 -4.99 135.00 129.81 1ggj s PRO 576 Ca 0.74 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 1ggj s PRO 576 Cb -0.43 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1ggj s PRO 576 CO 0.48 -1.64 1.15 -2.30 0.04 0.00 0.00 177.00 174.73 1ggj n PRO 577 N -2.57 0.09 -1.39 0.56 -0.02 -1.26 -4.92 135.00 125.49 1ggj n PRO 577 Ca 0.13 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1ggj n PRO 577 Cb 0.51 -2.39 0.11 0.00 -0.02 0.00 0.00 33.50 31.71 1ggj n PRO 577 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ggj s ASP 578 N -2.16 4.03 -0.51 2.55 -0.00 -1.26 -4.67 116.67 114.65 1ggj s ASP 578 Ca 0.72 1.40 -0.20 0.00 -0.00 0.00 0.00 52.55 54.47 1ggj s ASP 578 Cb -0.28 -2.11 0.06 0.00 -0.00 0.00 0.00 42.92 40.59 1ggj s ASP 578 CO 0.52 -2.27 0.65 -0.69 -0.00 0.00 0.00 175.17 173.38 1ggj s VAL 579 N -3.05 4.83 -1.46 -1.27 1.01 -1.17 -4.26 120.40 115.03 1ggj s VAL 579 Ca 0.62 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1ggj s VAL 579 Cb -0.16 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.91 1ggj s VAL 579 CO 0.55 -0.84 0.33 0.59 0.00 0.00 0.00 175.10 175.74 1ggj n ASN 580 N 6.28 -0.13 0.00 3.32 4.13 -1.26 -0.63 115.26 126.97 1ggj n ASN 580 Ca -0.06 -1.08 0.00 0.00 1.68 0.00 0.00 54.58 55.12 1ggj n ASN 580 Cb 0.45 -2.65 0.00 0.00 -1.54 0.00 0.00 39.78 36.05 1ggj n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggj n GLY 581 N -2.11 1.67 3.71 7.41 0.00 -1.26 -5.02 105.19 109.60 1ggj n GLY 581 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1ggj n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ggj s LEU 582 N 0.00 4.36 0.00 0.99 1.43 0.20 -4.90 118.68 120.76 1ggj s LEU 582 Ca 0.00 1.55 0.21 0.00 -1.03 0.00 0.00 54.13 54.85 1ggj s LEU 582 Cb 0.00 -3.45 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 1ggj s LEU 582 CO 0.00 -0.23 1.02 0.29 0.23 0.00 0.00 176.35 177.66 1ggj n LYS 583 N 3.88 1.38 -3.61 1.70 5.02 -1.26 -3.05 118.16 122.22 1ggj n LYS 583 Ca 0.04 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 1ggj n LYS 583 Cb 0.51 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1ggj n LYS 583 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ggj s LYS 584 N -2.29 0.08 -0.29 1.97 -2.85 -1.26 -4.73 119.74 110.38 1ggj s LYS 584 Ca 0.17 -0.04 0.02 0.00 -1.00 0.00 0.00 55.97 55.12 1ggj s LYS 584 Cb 0.17 0.03 0.18 0.00 -2.06 0.00 0.00 37.83 36.15 1ggj s LYS 584 CO 0.51 -0.04 0.52 0.34 0.10 0.00 0.00 175.35 176.79 1ggj s ASP 585 N -2.47 -0.81 0.64 0.03 3.68 -1.26 -5.01 116.67 111.47 1ggj s ASP 585 Ca 0.13 0.24 0.43 0.00 2.13 0.00 0.00 52.55 55.47 1ggj s ASP 585 Cb 0.03 1.71 2.32 0.00 -1.45 0.00 0.00 42.92 45.52 1ggj s ASP 585 CO -0.04 -0.30 2.31 -0.65 0.13 0.00 0.00 175.17 176.61 1ggj h PRO 586 N 8.07 0.00 0.00 4.34 0.11 -1.97 -2.30 132.00 140.25 1ggj h PRO 586 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1ggj h PRO 586 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ggj h PRO 586 CO 0.22 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.67 1ggj h SER 587 N 0.00 0.00 1.27 -2.05 4.64 -1.96 -2.35 113.55 113.10 1ggj h SER 587 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ggj h SER 587 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ggj h SER 587 CO 0.00 0.00 -0.19 0.18 -0.87 0.00 0.00 176.83 175.95 1ggj n LEU 588 N -2.66 0.75 -4.84 5.97 4.77 -0.86 -4.84 117.00 115.29 1ggj n LEU 588 Ca 0.00 0.46 -0.35 0.00 -0.03 0.00 0.00 56.01 56.09 1ggj n LEU 588 Cb 0.20 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1ggj n LEU 588 CO 0.21 -0.13 0.29 -0.55 -1.33 0.00 0.00 177.39 175.87 1ggj s SER 589 N -4.36 6.87 0.14 -1.43 0.15 -0.88 -4.91 113.70 109.28 1ggj s SER 589 Ca 0.10 1.17 -0.06 0.00 0.70 0.00 0.00 55.95 57.85 1ggj s SER 589 Cb 0.13 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 1ggj s SER 589 CO 0.63 0.06 1.34 -0.07 1.20 0.00 0.00 173.24 176.41 1ggj h LEU 590 N 3.40 0.63 -0.00 3.45 3.38 -1.88 -3.41 115.31 120.88 1ggj h LEU 590 Ca -0.48 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1ggj h LEU 590 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1ggj h LEU 590 CO 0.66 1.23 -0.04 -1.22 0.09 0.00 0.00 178.44 179.15 1ggj n TYR 591 N -3.83 0.00 -0.18 1.13 4.01 -1.26 -4.72 117.16 112.31 1ggj n TYR 591 Ca -0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.66 1ggj n TYR 591 Cb 0.77 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.85 1ggj n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ggj h ALA 592 N 0.13 0.37 -2.84 -0.72 0.00 -1.86 -3.34 119.26 111.01 1ggj h ALA 592 Ca 0.00 0.21 -0.71 0.00 0.00 0.00 0.00 54.91 54.41 1ggj h ALA 592 Cb 0.02 0.40 -0.25 0.00 0.00 0.00 0.00 17.79 17.96 1ggj h ALA 592 CO 0.00 -0.43 -0.52 0.42 0.00 0.00 0.00 179.25 178.72 1ggj s ILE 593 N -6.22 4.45 0.13 0.00 1.01 -1.26 -5.06 121.20 114.25 1ggj s ILE 593 Ca -0.14 -0.97 -0.34 0.00 0.00 0.00 0.00 60.65 59.21 1ggj s ILE 593 Cb 0.17 -3.52 -0.17 0.00 0.01 0.00 0.00 42.46 38.95 1ggj s ILE 593 CO 0.73 -0.27 0.98 -2.65 0.00 0.00 0.00 174.94 173.72 1ggj n PRO 594 N 4.97 0.54 -0.98 2.79 -0.02 -1.26 -4.89 135.00 136.15 1ggj n PRO 594 Ca -0.12 0.19 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 1ggj n PRO 594 Cb 0.45 -1.56 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1ggj n PRO 594 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ggj n ASP 595 N 1.85 -0.11 -4.61 2.55 3.85 -1.26 -5.12 116.55 113.70 1ggj n ASP 595 Ca 0.17 -1.81 -0.43 0.00 -0.71 0.00 0.00 54.79 52.01 1ggj n ASP 595 Cb 0.20 0.01 -0.02 0.00 -1.35 0.00 0.00 41.12 39.95 1ggj n ASP 595 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1ggj s GLY 596 N -1.10 1.17 -0.16 6.12 0.00 -1.25 -4.11 107.32 108.00 1ggj s GLY 596 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1ggj s GLY 596 CO -0.05 2.78 -0.07 -0.35 0.00 0.00 0.00 173.10 175.41 1ggj s ASP 597 N 3.79 4.40 0.03 1.64 3.68 -1.26 -4.78 116.67 124.18 1ggj s ASP 597 Ca 0.62 -0.26 0.23 0.00 2.13 0.00 0.00 52.55 55.27 1ggj s ASP 597 Cb -0.16 -1.71 0.17 0.00 -1.45 0.00 0.00 42.92 39.77 1ggj s ASP 597 CO 0.29 0.12 1.15 1.33 0.13 0.00 0.00 175.17 178.20 1ggj n VAL 598 N 3.84 0.10 -1.70 1.11 0.24 -1.26 -4.89 118.33 115.77 1ggj n VAL 598 Ca -0.18 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.34 61.56 1ggj n VAL 598 Cb 0.52 0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 1ggj n VAL 598 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1ggj n LYS 599 N -1.75 2.61 0.00 7.34 4.81 -1.25 -1.65 118.16 128.27 1ggj n LYS 599 Ca 0.03 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 1ggj n LYS 599 Cb 0.39 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.67 1ggj n LYS 599 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ggj n GLY 600 N 3.84 1.90 3.73 3.14 0.00 -0.17 -4.98 105.19 112.65 1ggj n GLY 600 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ggj n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggj s ARG 601 N -0.73 0.60 0.00 1.61 1.81 -0.66 -4.73 118.95 116.85 1ggj s ARG 601 Ca 0.00 0.33 0.00 0.00 -1.72 0.00 0.00 55.73 54.34 1ggj s ARG 601 Cb 0.00 -1.77 -0.00 0.00 -0.45 0.00 0.00 34.95 32.72 1ggj s ARG 601 CO 0.00 -2.57 -0.02 0.54 -0.68 0.00 0.00 175.30 172.57 1ggj s VAL 602 N -3.14 0.12 -0.07 3.52 0.11 -1.26 -0.72 120.40 118.95 1ggj s VAL 602 Ca 0.65 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.58 1ggj s VAL 602 Cb -0.16 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1ggj s VAL 602 CO 0.55 -0.02 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.49 1ggj s VAL 603 N -0.17 3.21 -0.15 2.04 1.01 -0.14 -0.52 120.40 125.67 1ggj s VAL 603 Ca -0.01 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 1ggj s VAL 603 Cb -0.01 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1ggj s VAL 603 CO -0.00 0.57 0.62 0.00 0.00 0.00 0.00 175.10 176.29 1ggj s ALA 604 N -0.47 3.48 -0.28 5.51 0.00 -0.35 -0.81 121.76 128.85 1ggj s ALA 604 Ca 0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1ggj s ALA 604 Cb -0.12 -2.91 -0.00 0.00 0.00 0.00 0.00 23.12 20.09 1ggj s ALA 604 CO 0.02 -0.35 0.06 0.42 0.00 0.00 0.00 175.76 175.91 1ggj s ILE 605 N 1.42 3.94 -0.56 0.00 1.01 0.05 0.00 121.20 127.06 1ggj s ILE 605 Ca 0.30 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 1ggj s ILE 605 Cb -0.16 -2.96 0.05 0.00 0.01 0.00 0.00 42.46 39.40 1ggj s ILE 605 CO 0.12 0.18 0.87 -0.76 0.00 0.00 0.00 174.94 175.35 1ggj s LEU 606 N 1.52 4.36 0.73 2.97 1.43 -0.20 -0.84 118.68 128.64 1ggj s LEU 606 Ca 0.04 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 1ggj s LEU 606 Cb -0.16 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1ggj s LEU 606 CO 0.02 -1.18 1.11 -0.76 0.23 0.00 0.00 176.35 175.77 1ggj s LEU 607 N 3.64 2.80 0.27 1.79 1.43 -0.27 -4.24 118.68 124.09 1ggj s LEU 607 Ca 0.25 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 1ggj s LEU 607 Cb -0.15 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1ggj s LEU 607 CO 0.16 -1.49 0.14 0.54 0.23 0.00 0.00 176.35 175.93 1ggj s ASN 608 N -4.42 1.12 -0.01 2.29 2.20 -1.26 -4.79 114.94 110.06 1ggj s ASN 608 Ca 0.59 -1.48 0.04 0.00 -0.94 0.00 0.00 52.86 51.07 1ggj s ASN 608 Cb -0.11 0.33 0.12 0.00 -2.00 0.00 0.00 41.25 39.59 1ggj s ASN 608 CO 0.51 -0.84 0.98 -0.90 -2.94 0.00 0.00 177.10 173.91 1ggj n ASP 609 N -0.68 1.04 -2.82 3.54 3.85 -1.26 -3.75 116.55 116.47 1ggj n ASP 609 Ca 0.01 -2.05 -0.11 0.00 -0.71 0.00 0.00 54.79 51.94 1ggj n ASP 609 Cb 0.65 -0.22 0.07 0.00 -1.35 0.00 0.00 41.12 40.27 1ggj n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1ggj n GLU 610 N -0.05 1.03 -1.95 0.11 4.07 -1.26 -4.54 120.64 118.05 1ggj n GLU 610 Ca 0.04 -2.24 -0.41 0.00 -0.06 0.00 0.00 57.16 54.49 1ggj n GLU 610 Cb 0.20 -1.07 -0.02 0.00 -0.06 0.00 0.00 31.44 30.49 1ggj n GLU 610 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ggj s VAL 611 N -0.37 2.48 -0.45 6.31 1.01 -1.25 -2.84 120.40 125.29 1ggj s VAL 611 Ca 0.26 0.41 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 1ggj s VAL 611 Cb 0.32 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1ggj s VAL 611 CO -0.06 0.07 1.73 -0.60 0.00 0.00 0.00 175.10 176.24 1ggj s ARG 612 N -0.58 3.14 0.53 2.72 3.52 -0.92 -1.05 118.95 126.31 1ggj s ARG 612 Ca 0.59 1.02 0.22 0.00 -0.13 0.00 0.00 55.73 57.43 1ggj s ARG 612 Cb -0.43 -4.23 1.44 0.00 -1.56 0.00 0.00 34.95 30.17 1ggj s ARG 612 CO 0.46 -2.10 2.15 0.66 -0.81 0.00 0.00 175.30 175.66 1ggj h SER 613 N 13.08 0.00 -0.28 -2.12 4.64 -1.91 -2.60 113.55 124.37 1ggj h SER 613 Ca -0.30 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1ggj h SER 613 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1ggj h SER 613 CO 1.11 0.05 0.07 0.00 -0.87 0.00 0.00 176.83 177.19 1ggj h ALA 614 N 1.95 0.37 -0.19 5.18 0.00 -1.99 -1.59 119.26 122.98 1ggj h ALA 614 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ggj h ALA 614 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ggj h ALA 614 CO 0.01 0.03 0.07 -0.44 0.00 0.00 0.00 179.25 178.92 1ggj h ASP 615 N 0.28 0.09 -0.84 0.00 3.45 -1.73 -2.69 116.42 114.99 1ggj h ASP 615 Ca 0.09 0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.60 1ggj h ASP 615 Cb 0.29 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.01 1ggj h ASP 615 CO 0.00 0.08 0.55 0.25 -1.57 0.00 0.00 179.24 178.55 1ggj h LEU 616 N 0.17 0.90 -0.46 1.55 5.85 -1.32 -0.87 115.31 121.13 1ggj h LEU 616 Ca 0.08 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1ggj h LEU 616 Cb 0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1ggj h LEU 616 CO -0.08 0.62 0.17 0.25 -0.34 0.00 0.00 178.44 179.06 1ggj h LEU 617 N 1.05 0.65 -0.55 2.25 5.85 -1.06 -1.50 115.31 121.98 1ggj h LEU 617 Ca 0.33 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1ggj h LEU 617 Cb 0.02 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1ggj h LEU 617 CO -0.10 0.66 -0.41 0.00 -0.34 0.00 0.00 178.44 178.25 1ggj h ALA 618 N 1.02 0.73 0.54 1.25 0.00 -1.12 -2.07 119.26 119.62 1ggj h ALA 618 Ca 0.15 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ggj h ALA 618 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ggj h ALA 618 CO -0.01 0.66 -0.27 0.82 0.00 0.00 0.00 179.25 180.45 1ggj h ILE 619 N 0.58 0.44 -0.37 0.00 2.04 -1.07 -2.31 117.51 116.82 1ggj h ILE 619 Ca 0.05 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 1ggj h ILE 619 Cb 0.95 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1ggj h ILE 619 CO 0.09 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 177.97 1ggj h LEU 620 N -0.75 0.71 -0.16 1.44 3.38 -1.25 -0.41 115.31 118.27 1ggj h LEU 620 Ca -0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ggj h LEU 620 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ggj h LEU 620 CO 0.11 0.91 0.09 0.50 0.09 0.00 0.00 178.44 180.14 1ggj h LYS 621 N 0.63 0.22 -0.48 1.13 3.11 -1.41 0.46 116.57 120.22 1ggj h LYS 621 Ca 0.09 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 1ggj h LYS 621 Cb 0.68 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1ggj h LYS 621 CO 0.05 0.23 0.25 0.00 -2.81 0.00 0.00 179.45 177.16 1ggj h ALA 622 N 0.98 0.62 -0.49 5.00 0.00 -1.18 -0.87 119.26 123.32 1ggj h ALA 622 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1ggj h ALA 622 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ggj h ALA 622 CO -0.01 0.17 0.07 -0.07 0.00 0.00 0.00 179.25 179.40 1ggj h LEU 623 N 0.64 0.79 -0.91 0.00 3.38 -0.79 -2.86 115.31 115.57 1ggj h LEU 623 Ca 0.17 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1ggj h LEU 623 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1ggj h LEU 623 CO -0.02 0.86 0.31 0.50 0.09 0.00 0.00 178.44 180.18 1ggj h LYS 624 N 0.69 1.10 -0.50 1.13 3.64 0.05 -0.85 116.57 121.84 1ggj h LYS 624 Ca 0.15 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ggj h LYS 624 Cb 0.41 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1ggj h LYS 624 CO 0.01 0.89 0.26 0.00 -2.27 0.00 0.00 179.45 178.34 1ggj h ALA 625 N 1.26 1.52 -0.18 5.00 0.00 -0.93 -2.32 119.26 123.61 1ggj h ALA 625 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ggj h ALA 625 Cb 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ggj h ALA 625 CO -0.02 0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.25 1ggj n LYS 626 N -4.40 2.05 -1.78 0.00 4.76 -0.92 -4.96 118.16 112.90 1ggj n LYS 626 Ca 0.04 -1.56 -0.08 0.00 -2.87 0.00 0.00 58.31 53.84 1ggj n LYS 626 Cb 0.10 -1.46 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 1ggj n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ggj n GLY 627 N 1.28 0.42 3.77 0.72 0.00 -0.75 -3.74 105.19 106.89 1ggj n GLY 627 Ca 0.17 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 1ggj n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggj s VAL 628 N -2.36 5.21 0.57 1.61 1.01 -0.40 -0.99 120.40 125.04 1ggj s VAL 628 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 1ggj s VAL 628 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1ggj s VAL 628 CO 0.00 0.44 0.84 -1.00 0.00 0.00 0.00 175.10 175.38 1ggj s HIS 629 N -0.04 3.09 0.03 5.22 3.76 0.10 -4.22 115.29 123.23 1ggj s HIS 629 Ca 0.21 0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.50 1ggj s HIS 629 Cb -0.15 -2.73 -0.02 0.00 1.11 0.00 0.00 32.58 30.80 1ggj s HIS 629 CO 0.08 -0.83 -0.09 0.00 -0.85 0.00 0.00 174.74 173.05 1ggj s ALA 630 N -2.88 0.72 -0.16 -1.40 0.00 -1.26 -0.97 121.76 115.81 1ggj s ALA 630 Ca 0.54 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1ggj s ALA 630 Cb -0.10 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1ggj s ALA 630 CO 0.42 0.09 -0.14 -1.59 0.00 0.00 0.00 175.76 174.54 1ggj s LYS 631 N -0.99 2.32 -0.35 0.00 -2.85 0.01 -4.92 119.74 112.95 1ggj s LYS 631 Ca -0.03 -0.62 -0.26 0.00 -1.00 0.00 0.00 55.97 54.06 1ggj s LYS 631 Cb -0.07 -2.19 0.01 0.00 -2.06 0.00 0.00 37.83 33.53 1ggj s LYS 631 CO 0.00 -0.26 0.95 -0.51 0.10 0.00 0.00 175.35 175.63 1ggj s LEU 632 N 1.46 3.98 0.15 2.77 1.43 -1.26 -0.77 118.68 126.44 1ggj s LEU 632 Ca 0.04 0.71 0.07 0.00 -1.03 0.00 0.00 54.13 53.93 1ggj s LEU 632 Cb -0.13 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1ggj s LEU 632 CO -0.11 -0.84 -0.04 -0.76 0.23 0.00 0.00 176.35 174.84 1ggj s LEU 633 N 3.47 3.20 0.00 1.79 1.43 -0.02 -0.81 118.68 127.74 1ggj s LEU 633 Ca 0.39 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1ggj s LEU 633 Cb -0.12 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.22 1ggj s LEU 633 CO 0.17 0.12 0.49 0.00 0.23 0.00 0.00 176.35 177.36 1ggj n TYR 634 N 0.15 -1.56 1.48 0.29 9.36 -1.11 -1.12 117.16 124.66 1ggj n TYR 634 Ca -0.11 -1.85 0.14 0.00 3.32 0.00 0.00 57.90 59.41 1ggj n TYR 634 Cb 0.54 0.56 0.62 0.00 -0.63 0.00 0.00 39.34 40.43 1ggj n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ggj n SER 635 N -1.62 0.64 -3.80 2.98 3.41 -1.26 -1.71 113.62 112.26 1ggj n SER 635 Ca -0.02 -0.82 -0.09 0.00 -0.26 0.00 0.00 58.87 57.67 1ggj n SER 635 Cb 0.49 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1ggj n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggj s ARG 636 N -2.33 1.68 0.30 4.33 1.70 -1.26 -4.89 118.95 118.48 1ggj s ARG 636 Ca 0.33 -1.29 0.01 0.00 -0.47 0.00 0.00 55.73 54.31 1ggj s ARG 636 Cb 0.20 0.50 0.06 0.00 -0.57 0.00 0.00 34.95 35.14 1ggj s ARG 636 CO 0.44 -0.72 0.41 -1.33 -1.08 0.00 0.00 175.30 173.02 1ggj n MET 637 N -0.43 0.48 0.00 3.89 2.81 -1.26 -4.69 117.12 117.92 1ggj n MET 637 Ca -0.02 -1.26 0.00 0.00 -1.81 0.00 0.00 57.70 54.61 1ggj n MET 637 Cb 0.61 -0.23 0.00 0.00 -0.71 0.00 0.00 33.22 32.89 1ggj n MET 637 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ggj n GLY 638 N 1.70 0.94 3.07 3.03 0.00 -1.26 -4.96 105.19 107.72 1ggj n GLY 638 Ca 0.07 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1ggj n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ggj s GLU 639 N 0.00 0.56 0.04 1.61 2.02 -1.26 -1.04 118.70 120.63 1ggj s GLU 639 Ca 0.00 -1.07 0.05 0.00 0.02 0.00 0.00 54.97 53.97 1ggj s GLU 639 Cb 0.00 0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 1ggj s GLU 639 CO 0.00 -0.08 -0.15 0.14 0.02 0.00 0.00 175.26 175.18 1ggj s VAL 640 N -3.24 1.22 -0.19 2.63 -7.23 -0.79 -4.97 120.40 107.83 1ggj s VAL 640 Ca 0.02 -1.02 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 1ggj s VAL 640 Cb 0.03 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 1ggj s VAL 640 CO -0.07 0.06 0.00 -0.89 -0.31 0.00 0.00 175.10 173.89 1ggj s THR 641 N -0.82 4.06 1.14 5.32 2.01 -1.26 0.06 115.64 126.16 1ggj s THR 641 Ca 0.03 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 1ggj s THR 641 Cb -0.08 -2.83 0.26 0.00 0.01 0.00 0.00 72.50 69.87 1ggj s THR 641 CO 0.01 0.44 1.16 0.00 -0.69 0.00 0.00 174.62 175.54 1ggj s ALA 642 N 0.82 0.99 0.58 7.40 0.00 0.10 -4.15 121.76 127.50 1ggj s ALA 642 Ca 0.01 -0.98 0.40 0.00 0.00 0.00 0.00 51.96 51.38 1ggj s ALA 642 Cb -0.14 -2.87 2.15 0.00 0.00 0.00 0.00 23.12 22.26 1ggj s ALA 642 CO 0.02 -3.30 2.29 0.38 0.00 0.00 0.00 175.76 175.15 1ggj h ASP 643 N -2.34 0.00 -0.62 0.00 3.04 -1.33 -2.19 116.42 112.97 1ggj h ASP 643 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1ggj h ASP 643 Cb 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 1ggj h ASP 643 CO 0.36 0.01 0.00 -0.90 -2.04 0.00 0.00 179.24 176.67 1ggj n ASP 644 N -3.26 3.77 0.00 4.15 3.85 -1.26 -4.94 116.55 118.85 1ggj n ASP 644 Ca -0.03 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.00 1ggj n ASP 644 Cb 0.11 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.45 1ggj n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ggj n GLY 645 N 1.29 0.90 3.66 6.12 0.00 -0.82 -5.02 105.19 111.33 1ggj n GLY 645 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1ggj n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ggj s THR 646 N -2.97 3.39 -0.29 2.61 2.01 -1.26 -4.72 115.64 114.41 1ggj s THR 646 Ca 0.00 0.52 -0.26 0.00 0.31 0.00 0.00 61.69 62.25 1ggj s THR 646 Cb 0.00 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.18 1ggj s THR 646 CO 0.00 -0.04 0.94 -0.69 -0.69 0.00 0.00 174.62 174.13 1ggj s VAL 647 N 4.00 4.69 -0.30 3.82 1.01 -1.26 -0.72 120.40 131.64 1ggj s VAL 647 Ca 0.77 1.58 -0.07 0.00 0.00 0.00 0.00 61.98 64.27 1ggj s VAL 647 Cb -0.36 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.77 1ggj s VAL 647 CO 0.33 -0.29 0.08 -0.76 0.00 0.00 0.00 175.10 174.46 1ggj s LEU 648 N 3.21 3.87 0.24 3.92 1.43 0.11 -4.97 118.68 126.50 1ggj s LEU 648 Ca 0.39 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1ggj s LEU 648 Cb -0.14 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 1ggj s LEU 648 CO 0.11 -0.20 1.31 -2.16 0.23 0.00 0.00 176.35 175.64 1ggj s PRO 649 N 1.49 4.39 -0.22 1.29 0.04 -1.26 -1.88 135.00 138.85 1ggj s PRO 649 Ca 0.02 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 1ggj s PRO 649 Cb -0.17 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1ggj s PRO 649 CO 0.02 -0.22 0.45 0.42 0.04 0.00 0.00 177.00 177.71 1ggj s ILE 650 N -0.31 5.14 0.12 0.56 1.01 -0.20 -4.81 121.20 122.70 1ggj s ILE 650 Ca 0.54 0.79 -0.15 0.00 0.00 0.00 0.00 60.65 61.83 1ggj s ILE 650 Cb -0.38 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1ggj s ILE 650 CO 0.43 0.19 1.52 0.00 0.00 0.00 0.00 174.94 177.07 1ggj h ALA 651 N 7.63 0.51 -2.07 9.38 0.00 -1.31 -3.41 119.26 129.99 1ggj h ALA 651 Ca -0.33 -0.31 0.21 0.00 0.00 0.00 0.00 54.91 54.48 1ggj h ALA 651 Cb 1.16 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1ggj h ALA 651 CO 0.71 0.36 0.58 0.00 0.00 0.00 0.00 179.25 180.91 1ggj s ALA 652 N -4.78 -1.84 0.63 0.00 0.00 -1.24 -5.05 121.76 109.48 1ggj s ALA 652 Ca -0.13 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 1ggj s ALA 652 Cb 0.10 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.75 1ggj s ALA 652 CO 0.81 -0.96 0.93 0.95 0.00 0.00 0.00 175.76 177.48 1ggj s THR 653 N -3.01 2.84 0.20 0.00 -4.23 -1.26 -2.75 115.64 107.43 1ggj s THR 653 Ca 0.11 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 1ggj s THR 653 Cb 0.00 -3.16 0.12 0.00 1.34 0.00 0.00 72.50 70.80 1ggj s THR 653 CO -0.01 -0.16 1.74 -0.26 -0.54 0.00 0.00 174.62 175.38 1ggj h PHE 654 N -0.32 0.30 -0.07 3.99 0.05 -1.66 -1.28 116.94 117.95 1ggj h PHE 654 Ca -0.44 0.03 -0.16 0.00 3.82 0.00 0.00 57.97 61.22 1ggj h PHE 654 Cb 1.29 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 39.18 1ggj h PHE 654 CO 0.39 0.06 -0.64 0.00 -0.18 0.00 0.00 178.31 177.94 1ggj h ALA 655 N 1.39 0.78 -0.53 2.45 0.00 -1.90 -3.30 119.26 118.16 1ggj h ALA 655 Ca 0.27 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1ggj h ALA 655 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ggj h ALA 655 CO -0.30 0.75 0.01 0.78 0.00 0.00 0.00 179.25 180.48 1ggj h GLY 656 N 1.46 0.97 -6.74 0.00 0.00 -1.64 -3.35 103.07 93.78 1ggj h GLY 656 Ca -0.01 -0.67 -0.61 0.00 0.00 0.00 0.00 47.33 46.05 1ggj h GLY 656 CO 0.10 0.62 -0.77 0.00 0.00 0.00 0.00 176.54 176.49 1ggj s ALA 657 N -5.01 2.63 1.00 3.60 0.00 -0.67 -4.86 121.76 118.45 1ggj s ALA 657 Ca -0.10 -3.15 -0.14 0.00 0.00 0.00 0.00 51.96 48.57 1ggj s ALA 657 Cb 0.14 -1.89 0.08 0.00 0.00 0.00 0.00 23.12 21.45 1ggj s ALA 657 CO 0.83 -2.04 0.43 -2.30 0.00 0.00 0.00 175.76 172.67 1ggj n PRO 658 N 2.43 -0.76 0.33 0.00 -0.02 -1.24 -4.84 135.00 130.89 1ggj n PRO 658 Ca 0.24 -0.18 0.21 0.00 -2.02 0.00 0.00 63.50 61.75 1ggj n PRO 658 Cb 0.41 -1.89 1.14 0.00 -0.02 0.00 0.00 33.50 33.14 1ggj n PRO 658 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ggj h SER 659 N -1.79 0.00 -0.96 2.55 4.64 -1.85 -2.06 113.55 114.08 1ggj h SER 659 Ca -0.47 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.03 1ggj h SER 659 Cb 1.30 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.31 1ggj h SER 659 CO 0.37 0.00 0.61 -0.07 -0.87 0.00 0.00 176.83 176.87 1ggj h LEU 660 N 0.00 0.65 0.00 5.97 3.38 -1.95 -1.98 115.31 121.39 1ggj h LEU 660 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ggj h LEU 660 Cb 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ggj h LEU 660 CO 0.00 0.27 -0.09 0.35 0.09 0.00 0.00 178.44 179.06 1ggj n THR 661 N -4.64 0.15 -4.39 0.22 -2.24 -0.77 -4.88 114.28 97.73 1ggj n THR 661 Ca 0.21 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.64 1ggj n THR 661 Cb 0.59 -0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1ggj n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ggj s VAL 662 N -3.03 1.99 -0.07 2.28 -7.23 -0.74 -4.93 120.40 108.66 1ggj s VAL 662 Ca 0.13 -1.84 0.21 0.00 -1.81 0.00 0.00 61.98 58.66 1ggj s VAL 662 Cb 0.17 -2.83 -0.31 0.00 0.56 0.00 0.00 36.38 33.97 1ggj s VAL 662 CO 0.57 0.00 0.37 0.47 -0.31 0.00 0.00 175.10 176.21 1ggj n ASP 663 N -1.17 0.06 -3.70 4.85 9.92 0.32 -4.99 116.55 121.82 1ggj n ASP 663 Ca -0.05 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.13 1ggj n ASP 663 Cb 0.66 1.74 -0.02 0.00 -0.64 0.00 0.00 41.12 42.86 1ggj n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ggj s ALA 664 N -3.25 -1.41 -0.02 2.24 0.00 -1.21 -4.17 121.76 113.94 1ggj s ALA 664 Ca -0.08 0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1ggj s ALA 664 Cb 0.12 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 1ggj s ALA 664 CO 0.88 -0.94 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 1ggj s VAL 665 N -3.76 0.88 -0.07 0.00 1.01 -0.69 -1.21 120.40 116.56 1ggj s VAL 665 Ca 0.08 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1ggj s VAL 665 Cb -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1ggj s VAL 665 CO -0.00 0.26 -0.19 -0.63 0.00 0.00 0.00 175.10 174.54 1ggj s ILE 666 N 0.02 1.66 -0.30 2.22 1.01 0.10 -1.02 121.20 124.89 1ggj s ILE 666 Ca -0.01 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1ggj s ILE 666 Cb -0.07 -1.44 0.08 0.00 0.01 0.00 0.00 42.46 41.03 1ggj s ILE 666 CO 0.00 0.47 -0.03 -0.69 0.00 0.00 0.00 174.94 174.69 1ggj s VAL 667 N 0.26 2.19 0.65 2.92 1.01 -0.10 -1.03 120.40 126.30 1ggj s VAL 667 Ca -0.11 -1.94 -0.11 0.00 0.00 0.00 0.00 61.98 59.81 1ggj s VAL 667 Cb -0.15 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1ggj s VAL 667 CO 0.05 -0.29 1.05 -2.16 0.00 0.00 0.00 175.10 173.74 1ggj s PRO 668 N 1.02 3.25 1.12 2.72 0.04 -1.26 -1.54 135.00 140.36 1ggj s PRO 668 Ca 0.00 0.90 -0.19 0.00 0.04 0.00 0.00 61.00 61.75 1ggj s PRO 668 Cb -0.19 -2.03 0.26 0.00 0.04 0.00 0.00 34.50 32.58 1ggj s PRO 668 CO -0.07 -0.85 1.21 0.00 0.04 0.00 0.00 177.00 177.33 1ggj n GLY 670 N -2.16 0.15 3.49 0.00 0.00 -1.26 -2.16 105.19 103.26 1ggj n GLY 670 Ca 0.15 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1ggj n GLY 670 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ggj s ASN 671 N -4.00 6.81 0.41 1.61 2.47 -1.13 -4.82 114.94 116.28 1ggj s ASN 671 Ca 0.00 -2.37 0.16 0.00 0.42 0.00 0.00 52.86 51.07 1ggj s ASN 671 Cb 0.00 -2.45 0.88 0.00 -1.45 0.00 0.00 41.25 38.23 1ggj s ASN 671 CO 0.00 -1.03 1.88 0.40 -3.72 0.00 0.00 177.10 174.63 1ggj h ILE 672 N 5.51 1.09 -0.22 -5.21 1.08 -1.93 -2.66 117.51 115.18 1ggj h ILE 672 Ca 0.27 -1.08 0.06 0.00 -0.39 0.00 0.00 64.86 63.72 1ggj h ILE 672 Cb 0.94 1.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 1ggj h ILE 672 CO 1.26 0.30 0.27 0.00 -0.69 0.00 0.00 178.15 179.28 1ggj h ALA 673 N 1.70 1.82 -0.38 1.87 0.00 -1.97 0.40 119.26 122.70 1ggj h ALA 673 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ggj h ALA 673 Cb 0.58 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ggj h ALA 673 CO 0.04 -0.38 0.17 0.22 0.00 0.00 0.00 179.25 179.30 1ggj h ASP 674 N 0.00 0.50 -0.01 0.00 -0.00 -1.89 -3.28 116.42 111.74 1ggj h ASP 674 Ca 0.10 -0.14 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1ggj h ASP 674 Cb 0.64 -0.13 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 1ggj h ASP 674 CO -0.00 0.50 -0.11 2.30 -0.00 0.00 0.00 179.24 181.93 1ggj n ILE 675 N -4.70 0.00 0.07 2.25 -5.35 -0.29 -4.66 119.36 106.68 1ggj n ILE 675 Ca -0.00 -0.45 0.08 0.00 -0.27 0.00 0.00 62.75 62.11 1ggj n ILE 675 Cb 0.12 1.21 0.53 0.00 -1.74 0.00 0.00 39.64 39.76 1ggj n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ggj h ALA 676 N 2.33 1.93 -0.55 -1.28 0.00 -0.34 -1.81 119.26 119.53 1ggj h ALA 676 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ggj h ALA 676 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ggj h ALA 676 CO 0.00 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.03 1ggj n ASP 677 N -4.49 3.62 -4.64 0.00 8.00 -1.26 -4.92 116.55 112.86 1ggj n ASP 677 Ca 0.03 -2.09 -0.43 0.00 0.71 0.00 0.00 54.79 53.01 1ggj n ASP 677 Cb 0.17 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 1ggj n ASP 677 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ggj s ASN 678 N -1.03 6.80 0.16 -2.24 3.84 -0.68 -4.93 114.94 116.86 1ggj s ASN 678 Ca 0.38 1.22 -0.16 0.00 0.21 0.00 0.00 52.86 54.51 1ggj s ASN 678 Cb 0.21 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.47 1ggj s ASN 678 CO 0.24 -0.97 1.70 1.23 -2.79 0.00 0.00 177.10 176.52 1ggj h GLY 679 N 10.44 0.39 1.16 1.21 0.00 -1.92 -1.60 103.07 112.75 1ggj h GLY 679 Ca -0.24 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1ggj h GLY 679 CO 1.02 -0.09 0.35 -0.55 0.00 0.00 0.00 176.54 177.27 1ggj h ASP 680 N 0.11 0.98 -0.50 0.19 3.45 -1.96 0.81 116.42 119.50 1ggj h ASP 680 Ca 0.19 -0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.47 1ggj h ASP 680 Cb 0.26 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1ggj h ASP 680 CO -0.31 0.84 0.05 0.00 -1.57 0.00 0.00 179.24 178.25 1ggj h ALA 681 N 1.31 0.67 -0.17 3.45 0.00 -1.72 0.08 119.26 122.88 1ggj h ALA 681 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ggj h ALA 681 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ggj h ALA 681 CO -0.03 0.43 0.02 -0.91 0.00 0.00 0.00 179.25 178.76 1ggj h ASN 682 N 0.72 0.27 0.31 0.00 2.35 -0.98 -2.97 115.58 115.28 1ggj h ASN 682 Ca 0.15 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1ggj h ASN 682 Cb 0.44 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1ggj h ASN 682 CO 0.02 0.48 -0.19 0.22 -1.65 0.00 0.00 177.43 176.31 1ggj h TYR 683 N 0.06 0.00 -0.51 1.19 5.03 -0.73 -1.80 116.97 120.21 1ggj h TYR 683 Ca 0.05 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.43 1ggj h TYR 683 Cb 0.33 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.55 1ggj h TYR 683 CO 0.02 0.19 0.18 -0.92 -1.32 0.00 0.00 178.16 176.31 1ggj h TYR 684 N 0.00 0.31 -0.27 -3.82 5.03 -0.81 0.25 116.97 117.66 1ggj h TYR 684 Ca -0.00 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.14 1ggj h TYR 684 Cb 0.39 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1ggj h TYR 684 CO 0.00 0.09 -0.58 -0.07 -1.32 0.00 0.00 178.16 176.28 1ggj h LEU 685 N 0.35 0.96 -0.89 2.82 3.38 -1.29 -2.09 115.31 118.55 1ggj h LEU 685 Ca 0.25 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1ggj h LEU 685 Cb 0.28 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1ggj h LEU 685 CO -0.26 1.33 0.45 0.24 0.09 0.00 0.00 178.44 180.29 1ggj h MET 686 N 0.64 1.24 0.12 1.13 2.86 -0.97 0.28 114.93 120.22 1ggj h MET 686 Ca 0.00 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1ggj h MET 686 Cb 1.19 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1ggj h MET 686 CO 0.13 0.93 -0.06 1.49 1.06 0.00 0.00 176.91 180.46 1ggj h GLU 687 N 1.23 -0.15 -0.72 1.72 4.81 -0.94 -0.15 114.58 120.39 1ggj h GLU 687 Ca 0.30 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 1ggj h GLU 687 Cb 0.07 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 1ggj h GLU 687 CO -0.04 0.22 0.40 0.00 -0.73 0.00 0.00 179.01 178.86 1ggj h ALA 688 N 0.27 0.99 -0.06 2.92 0.00 -1.22 -0.85 119.26 121.31 1ggj h ALA 688 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ggj h ALA 688 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ggj h ALA 688 CO 0.03 0.06 0.03 -0.92 0.00 0.00 0.00 179.25 178.45 1ggj h TYR 689 N 0.72 0.08 -0.70 0.00 3.20 -0.32 -1.70 116.97 118.24 1ggj h TYR 689 Ca 0.33 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.31 1ggj h TYR 689 Cb 0.25 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 1ggj h TYR 689 CO -0.08 0.11 0.32 -0.22 -1.64 0.00 0.00 178.16 176.65 1ggj h LYS 690 N 0.02 0.50 -0.80 1.82 3.64 -0.44 -1.78 116.57 119.54 1ggj h LYS 690 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ggj h LYS 690 Cb 0.06 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1ggj h LYS 690 CO -0.00 0.33 0.00 0.72 -2.27 0.00 0.00 179.45 178.23 1ggj n HIS 691 N -4.93 0.34 -2.39 1.91 8.25 -0.38 -4.86 115.22 113.16 1ggj n HIS 691 Ca 0.11 -0.12 -0.17 0.00 -0.26 0.00 0.00 57.72 57.28 1ggj n HIS 691 Cb 0.31 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 1ggj n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ggj n LEU 692 N 0.07 -1.86 -4.87 2.41 4.77 -0.67 -4.89 117.00 111.96 1ggj n LEU 692 Ca 0.05 -0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 1ggj n LEU 692 Cb 0.37 -2.52 -0.05 0.00 -2.33 0.00 0.00 43.42 38.89 1ggj n LEU 692 CO 0.05 -0.14 0.07 -0.54 -1.33 0.00 0.00 177.39 175.50 1ggj s LYS 693 N -4.93 3.73 0.27 3.23 1.02 -0.67 0.18 119.74 122.56 1ggj s LYS 693 Ca 0.03 0.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.84 1ggj s LYS 693 Cb -0.01 -2.95 -0.10 0.00 -0.52 0.00 0.00 37.83 34.25 1ggj s LYS 693 CO 0.03 0.53 1.43 -2.14 -0.92 0.00 0.00 175.35 174.29 1ggj s PRO 694 N -2.12 4.26 -0.04 -1.68 0.02 -1.26 -4.54 135.00 129.65 1ggj s PRO 694 Ca 0.35 2.32 0.04 0.00 0.02 0.00 0.00 61.00 63.73 1ggj s PRO 694 Cb -0.13 -3.09 -0.00 0.00 0.02 0.00 0.00 34.50 31.29 1ggj s PRO 694 CO 0.20 -0.41 -0.16 0.42 -0.33 0.00 0.00 177.00 176.72 1ggj s ILE 695 N -0.21 1.34 -0.10 2.83 1.01 -1.10 -1.71 121.20 123.26 1ggj s ILE 695 Ca 0.58 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1ggj s ILE 695 Cb -0.42 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1ggj s ILE 695 CO 0.46 0.39 -0.13 0.00 0.00 0.00 0.00 174.94 175.66 1ggj s ALA 696 N 0.08 1.54 -0.17 9.38 0.00 -0.19 -0.31 121.76 132.08 1ggj s ALA 696 Ca -0.04 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1ggj s ALA 696 Cb -0.11 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1ggj s ALA 696 CO 0.02 -0.11 -0.20 -0.51 0.00 0.00 0.00 175.76 174.97 1ggj s LEU 697 N 1.06 2.10 -0.11 0.00 1.43 0.11 -0.93 118.68 122.34 1ggj s LEU 697 Ca -0.06 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1ggj s LEU 697 Cb -0.15 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1ggj s LEU 697 CO -0.02 0.00 -0.01 0.00 0.23 0.00 0.00 176.35 176.55 1ggj s ALA 698 N 1.27 3.18 0.00 4.21 0.00 -0.59 -3.02 121.76 126.81 1ggj s ALA 698 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1ggj s ALA 698 Cb -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1ggj s ALA 698 CO -0.12 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.50 1ggj n GLY 699 N 2.63 3.63 0.05 0.00 0.00 -0.55 -1.59 105.19 109.35 1ggj n GLY 699 Ca -0.18 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1ggj n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ggj n ASP 700 N 5.22 0.22 0.31 1.61 8.00 -1.26 -1.73 116.55 128.93 1ggj n ASP 700 Ca 0.00 0.56 0.20 0.00 0.71 0.00 0.00 54.79 56.26 1ggj n ASP 700 Cb 0.00 -0.60 1.02 0.00 -0.02 0.00 0.00 41.12 41.52 1ggj n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ggj h ALA 701 N 2.35 1.07 0.00 2.24 0.00 -1.58 -2.32 119.26 121.03 1ggj h ALA 701 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ggj h ALA 701 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ggj h ALA 701 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1ggj h ARG 702 N 0.00 0.00 0.00 0.00 3.08 -1.51 -2.09 114.38 113.86 1ggj h ARG 702 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ggj h ARG 702 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1ggj h ARG 702 CO 0.00 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.77 1ggj h LYS 703 N 0.00 0.00 0.00 0.04 1.79 -1.66 -1.46 116.57 115.28 1ggj h LYS 703 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ggj h LYS 703 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1ggj h LYS 703 CO 0.00 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.56 1ggj n PHE 704 N -2.56 0.76 -0.14 -1.35 3.01 -0.78 -3.38 117.46 113.01 1ggj n PHE 704 Ca -0.00 0.28 0.17 0.00 1.01 0.00 0.00 57.45 58.90 1ggj n PHE 704 Cb 0.15 -0.95 0.54 0.00 -0.01 0.00 0.00 39.48 39.22 1ggj n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ggj h LYS 705 N 0.00 0.33 -0.36 -1.08 1.57 -1.48 -1.29 116.57 114.26 1ggj h LYS 705 Ca 0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ggj h LYS 705 Cb 0.44 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1ggj h LYS 705 CO 0.00 0.22 0.22 0.00 -0.57 0.00 0.00 179.45 179.31 1ggj h ALA 706 N 1.66 0.45 -0.81 3.86 0.00 -1.80 -2.97 119.26 119.65 1ggj h ALA 706 Ca 0.36 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.43 1ggj h ALA 706 Cb 0.90 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 1ggj h ALA 706 CO -0.10 -0.13 0.29 1.15 0.00 0.00 0.00 179.25 180.47 1ggj h THR 707 N 0.44 0.53 -1.56 0.00 2.02 -1.47 0.32 112.91 113.20 1ggj h THR 707 Ca 0.14 -0.13 -0.66 0.00 0.77 0.00 0.00 66.41 66.54 1ggj h THR 707 Cb -0.01 0.13 -0.22 0.00 -1.74 0.00 0.00 68.15 66.31 1ggj h THR 707 CO -0.05 0.07 0.87 2.30 0.37 0.00 0.00 175.52 179.08 1ggj n ILE 708 N -5.08 3.80 0.00 3.11 -5.35 -1.12 -4.93 119.36 109.79 1ggj n ILE 708 Ca 0.17 -3.88 0.00 0.00 -0.27 0.00 0.00 62.75 58.77 1ggj n ILE 708 Cb 0.53 -1.47 0.00 0.00 -1.74 0.00 0.00 39.64 36.95 1ggj n ILE 708 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ggj n LYS 709 N 0.26 0.00 -3.64 6.28 4.01 0.11 -4.77 118.16 120.41 1ggj n LYS 709 Ca 0.52 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 58.28 1ggj n LYS 709 Cb 0.37 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.82 1ggj n LYS 709 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1ggj s ILE 710 N 0.00 0.00 0.44 -0.18 1.10 -1.24 -5.05 121.20 116.27 1ggj s ILE 710 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1ggj s ILE 710 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 1ggj s ILE 710 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.83 1ggj n ALA 711 N 3.34 -1.75 -0.01 1.50 0.00 -1.26 -4.87 120.51 117.47 1ggj n ALA 711 Ca -0.17 0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 1ggj n ALA 711 Cb 0.57 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 1ggj n ALA 711 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ggj n ASP 712 N -1.45 1.20 0.18 0.00 9.92 -1.26 -4.75 116.55 120.39 1ggj n ASP 712 Ca 0.00 0.18 -0.10 0.00 -0.53 0.00 0.00 54.79 54.34 1ggj n ASP 712 Cb 0.13 -0.45 -0.05 0.00 -0.64 0.00 0.00 41.12 40.11 1ggj n ASP 712 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1ggj h GLN 713 N -0.34 -0.54 0.00 -1.24 1.08 -2.07 -3.48 115.11 108.52 1ggj h GLN 713 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1ggj h GLN 713 Cb 0.34 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1ggj h GLN 713 CO 0.00 -0.36 0.00 0.41 -0.95 0.00 0.00 178.83 177.93 1ggj n GLY 714 N -1.30 -0.98 3.41 3.46 0.00 -1.26 -5.13 105.19 103.39 1ggj n GLY 714 Ca -0.07 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1ggj n GLY 714 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ggj s GLU 715 N -2.00 0.57 0.00 1.61 2.12 -1.26 -4.79 118.70 114.95 1ggj s GLU 715 Ca 0.00 0.80 -0.32 0.00 0.36 0.00 0.00 54.97 55.80 1ggj s GLU 715 Cb 0.00 0.20 -0.11 0.00 0.26 0.00 0.00 34.13 34.48 1ggj s GLU 715 CO 0.00 -0.10 1.88 0.39 -0.54 0.00 0.00 175.26 176.88 1ggj n GLU 716 N 3.34 2.47 0.00 4.30 1.02 -1.26 -1.58 120.64 128.93 1ggj n GLU 716 Ca -0.17 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1ggj n GLU 716 Cb 0.56 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 1ggj n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggj n GLY 717 N 4.33 1.61 3.30 0.62 0.00 -1.26 -4.84 105.19 108.96 1ggj n GLY 717 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1ggj n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggj s ILE 718 N -1.71 3.45 -0.08 -0.61 -1.09 -0.62 -2.71 121.20 117.83 1ggj s ILE 718 Ca 0.00 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 1ggj s ILE 718 Cb 0.00 -2.65 -0.05 0.00 -1.58 0.00 0.00 42.46 38.18 1ggj s ILE 718 CO 0.00 0.31 0.40 -0.69 -1.23 0.00 0.00 174.94 173.73 1ggj s VAL 719 N 1.46 5.15 -0.02 2.92 1.01 0.57 -4.53 120.40 126.97 1ggj s VAL 719 Ca 0.04 0.81 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 1ggj s VAL 719 Cb -0.15 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1ggj s VAL 719 CO -0.02 0.45 0.25 -1.83 0.00 0.00 0.00 175.10 173.94 1ggj s GLU 720 N -0.12 0.56 -0.03 2.72 -1.05 -1.26 0.05 118.70 119.57 1ggj s GLU 720 Ca 0.23 -0.18 -0.30 0.00 -0.15 0.00 0.00 54.97 54.56 1ggj s GLU 720 Cb -0.15 0.24 0.11 0.00 -0.44 0.00 0.00 34.13 33.90 1ggj s GLU 720 CO 0.10 -0.14 1.18 0.00 0.95 0.00 0.00 175.26 177.35 1ggj s ALA 721 N -1.14 -2.06 0.41 -0.84 0.00 -1.17 -5.00 121.76 111.96 1ggj s ALA 721 Ca -0.12 0.84 0.18 0.00 0.00 0.00 0.00 51.96 52.86 1ggj s ALA 721 Cb -0.06 0.30 1.06 0.00 0.00 0.00 0.00 23.12 24.42 1ggj s ALA 721 CO 0.03 -0.91 1.97 -0.44 0.00 0.00 0.00 175.76 176.40 1ggj h ASP 722 N 2.00 0.00 -5.38 0.00 3.45 -1.92 -1.47 116.42 113.10 1ggj h ASP 722 Ca -0.23 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.09 1ggj h ASP 722 Cb 1.20 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.86 1ggj h ASP 722 CO 0.27 0.22 -0.32 -0.94 -1.57 0.00 0.00 179.24 176.90 1ggj s SER 723 N -6.71 0.01 -0.68 6.45 1.04 -1.26 -2.60 113.70 109.95 1ggj s SER 723 Ca -0.03 -1.12 -0.20 0.00 0.48 0.00 0.00 55.95 55.08 1ggj s SER 723 Cb 0.14 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.87 1ggj s SER 723 CO 0.67 -1.02 0.88 0.00 0.98 0.00 0.00 173.24 174.75 1ggj s ALA 724 N -4.06 3.31 0.00 5.32 0.00 -1.26 -4.82 121.76 120.24 1ggj s ALA 724 Ca 0.29 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 50.05 1ggj s ALA 724 Cb 0.02 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1ggj s ALA 724 CO 0.10 -2.63 0.00 -0.40 0.00 0.00 0.00 175.76 172.84 1ggj n ASP 725 N 6.84 1.56 -0.19 0.00 5.68 -1.26 -4.61 116.55 124.56 1ggj n ASP 725 Ca -0.01 -0.76 -0.07 0.00 -0.50 0.00 0.00 54.79 53.46 1ggj n ASP 725 Cb 0.45 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.46 1ggj n ASP 725 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ggj h GLY 726 N 0.00 0.80 1.31 6.12 0.00 -1.94 -0.63 103.07 108.73 1ggj h GLY 726 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 1ggj h GLY 726 CO 0.00 0.32 -0.31 0.23 0.00 0.00 0.00 176.54 176.79 1ggj h SER 727 N 0.75 0.80 -0.09 0.19 0.87 -1.97 0.26 113.55 114.36 1ggj h SER 727 Ca 0.20 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1ggj h SER 727 Cb -0.02 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1ggj h SER 727 CO -0.04 1.05 0.03 0.15 -0.53 0.00 0.00 176.83 177.49 1ggj h PHE 728 N 0.65 0.13 -0.30 2.24 3.04 -1.82 -1.71 116.94 119.18 1ggj h PHE 728 Ca 0.07 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.90 1ggj h PHE 728 Cb 0.84 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1ggj h PHE 728 CO 0.04 0.26 -0.28 0.52 -2.02 0.00 0.00 178.31 176.83 1ggj h MET 729 N -0.03 0.61 -0.54 1.11 2.86 -1.05 -2.17 114.93 115.71 1ggj h MET 729 Ca 0.03 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 1ggj h MET 729 Cb 0.18 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1ggj h MET 729 CO -0.00 0.82 0.01 -0.44 1.06 0.00 0.00 176.91 178.36 1ggj h ASP 730 N 0.53 0.89 -0.21 1.22 3.32 -0.80 -0.58 116.42 120.78 1ggj h ASP 730 Ca 0.07 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1ggj h ASP 730 Cb 0.75 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1ggj h ASP 730 CO 0.06 0.94 0.12 -0.33 -1.72 0.00 0.00 179.24 178.31 1ggj h GLU 731 N 0.85 0.24 -0.46 3.56 5.08 -0.96 -1.43 114.58 121.47 1ggj h GLU 731 Ca 0.16 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1ggj h GLU 731 Cb 0.49 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1ggj h GLU 731 CO 0.02 0.16 0.17 1.25 -1.00 0.00 0.00 179.01 179.62 1ggj h LEU 732 N 0.25 0.64 -1.13 1.33 7.12 -1.13 -2.04 115.31 120.35 1ggj h LEU 732 Ca 0.08 -0.18 -0.07 0.00 0.13 0.00 0.00 57.88 57.85 1ggj h LEU 732 Cb -0.00 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 39.94 1ggj h LEU 732 CO -0.04 0.64 -0.10 -0.07 -0.13 0.00 0.00 178.44 178.74 1ggj h LEU 733 N 0.60 0.47 -0.65 2.25 3.38 -0.99 0.17 115.31 120.54 1ggj h LEU 733 Ca 0.15 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1ggj h LEU 733 Cb 0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ggj h LEU 733 CO -0.01 0.61 0.01 0.74 0.09 0.00 0.00 178.44 179.88 1ggj h THR 734 N 0.46 1.26 -0.26 0.22 2.02 -1.09 -0.63 112.91 114.89 1ggj h THR 734 Ca 0.09 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 1ggj h THR 734 Cb 0.46 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1ggj h THR 734 CO 0.03 0.42 0.08 -0.07 0.37 0.00 0.00 175.52 176.35 1ggj h LEU 735 N 0.98 0.38 -1.39 2.58 3.38 -0.75 -2.93 115.31 117.56 1ggj h LEU 735 Ca 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ggj h LEU 735 Cb 0.55 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1ggj h LEU 735 CO 0.03 0.48 0.35 0.24 0.09 0.00 0.00 178.44 179.64 1ggj h MET 736 N 0.26 0.76 -0.75 1.13 2.86 -0.58 -1.09 114.93 117.51 1ggj h MET 736 Ca 0.09 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1ggj h MET 736 Cb 0.24 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1ggj h MET 736 CO -0.00 0.53 0.50 0.00 1.06 0.00 0.00 176.91 178.99 1ggj h ALA 737 N 1.61 1.82 -0.19 6.32 0.00 -0.94 -0.81 119.26 127.07 1ggj h ALA 737 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ggj h ALA 737 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ggj h ALA 737 CO -0.04 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1ggj n ALA 738 N -2.46 2.51 0.00 0.00 0.00 -0.43 -3.87 120.51 116.25 1ggj n ALA 738 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1ggj n ALA 738 Cb 0.34 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1ggj n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ggj n HIS 739 N 0.22 0.00 -4.20 0.00 -0.00 -0.31 -4.80 115.22 106.14 1ggj n HIS 739 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.73 1ggj n HIS 739 Cb 0.28 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.16 1ggj n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ggj s ARG 740 N 0.00 0.91 -1.09 1.57 1.81 -1.26 -4.77 118.95 116.11 1ggj s ARG 740 Ca 0.00 -1.31 -0.12 0.00 -1.72 0.00 0.00 55.73 52.58 1ggj s ARG 740 Cb 0.00 -0.44 0.22 0.00 -0.45 0.00 0.00 34.95 34.28 1ggj s ARG 740 CO 0.00 0.04 1.19 0.08 -0.68 0.00 0.00 175.30 175.93 1ggj s VAL 741 N -3.13 5.49 0.45 3.52 1.01 0.13 -4.89 120.40 122.98 1ggj s VAL 741 Ca 0.11 -2.86 0.27 0.00 0.00 0.00 0.00 61.98 59.50 1ggj s VAL 741 Cb 0.02 -4.71 0.30 0.00 0.00 0.00 0.00 36.38 31.98 1ggj s VAL 741 CO -0.01 -1.35 2.10 -0.50 0.00 0.00 0.00 175.10 175.33 1ggj h TRP 742 N 7.18 0.00 0.00 5.22 4.06 -1.94 -2.22 115.95 128.25 1ggj h TRP 742 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1ggj h TRP 742 Cb 0.91 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 1ggj h TRP 742 CO 0.95 0.10 0.00 -1.13 -3.56 0.00 0.00 178.44 174.80 1ggj n SER 743 N -3.74 0.52 0.00 -3.49 3.41 -1.26 -2.21 113.62 106.85 1ggj n SER 743 Ca -0.02 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1ggj n SER 743 Cb 0.21 -0.73 0.38 0.00 -0.26 0.00 0.00 64.21 63.81 1ggj n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ggj n ARG 744 N -2.06 0.02 -0.17 4.33 0.63 -0.84 -4.36 116.66 114.21 1ggj n ARG 744 Ca 0.03 0.01 -0.06 0.00 -0.92 0.00 0.00 57.85 56.90 1ggj n ARG 744 Cb 0.22 -1.51 -0.01 0.00 0.45 0.00 0.00 32.46 31.62 1ggj n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1ggj h ILE 745 N 0.00 0.19 -1.00 5.15 2.04 -1.60 0.12 117.51 122.41 1ggj h ILE 745 Ca 0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 1ggj h ILE 745 Cb 0.51 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 36.68 1ggj h ILE 745 CO 0.00 0.00 0.62 -0.65 0.00 0.00 0.00 178.15 178.12 1ggj h PRO 746 N -0.20 0.60 0.00 2.37 0.11 -1.84 -1.98 132.00 131.05 1ggj h PRO 746 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ggj h PRO 746 Cb 0.55 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1ggj h PRO 746 CO -0.62 0.39 -0.04 1.63 -0.21 0.00 0.00 178.00 179.15 1ggj n LYS 747 N -4.73 0.25 0.11 1.05 5.02 0.41 -4.29 118.16 115.99 1ggj n LYS 747 Ca 0.24 0.19 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 1ggj n LYS 747 Cb 0.68 -1.78 0.02 0.00 -0.02 0.00 0.00 35.03 33.94 1ggj n LYS 747 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1ggj h ILE 748 N 0.00 1.26 0.00 -0.18 3.07 -1.13 -3.35 117.51 117.17 1ggj h ILE 748 Ca 0.00 -2.60 0.00 0.00 1.55 0.00 0.00 64.86 63.81 1ggj h ILE 748 Cb 0.72 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.77 1ggj h ILE 748 CO 0.00 0.68 0.00 0.47 -1.05 0.00 0.00 178.15 178.25 1ggj n ASP 749 N -3.37 0.00 -0.12 2.16 9.92 -1.26 -2.51 116.55 121.37 1ggj n ASP 749 Ca 0.01 -1.72 -0.18 0.00 -0.53 0.00 0.00 54.79 52.37 1ggj n ASP 749 Cb 0.78 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 41.14 1ggj n ASP 749 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ggj n LYS 750 N -0.55 0.62 -1.71 -1.24 0.00 -1.26 -4.95 118.16 109.07 1ggj n LYS 750 Ca 0.02 0.15 -0.43 0.00 0.00 0.00 0.00 58.31 58.05 1ggj n LYS 750 Cb 0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.52 1ggj n LYS 750 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1ggj n ILE 751 N -3.27 0.53 -2.70 3.15 -6.64 -1.04 -4.88 119.36 104.51 1ggj n ILE 751 Ca -0.44 -0.13 -0.43 0.00 -1.77 0.00 0.00 62.75 59.97 1ggj n ILE 751 Cb 0.96 -1.82 -0.00 0.00 -1.44 0.00 0.00 39.64 37.34 1ggj n ILE 751 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1ggj s PRO 752 N 0.25 3.97 0.00 6.28 0.04 -1.26 -5.05 135.00 139.22 1ggj s PRO 752 Ca 0.70 -2.09 0.00 0.00 0.04 0.00 0.00 61.00 59.65 1ggj s PRO 752 Cb -0.55 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 28.63 1ggj s PRO 752 CO 0.42 -2.09 0.00 0.00 0.04 0.00 0.00 177.00 175.37