#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 -0.11 -2.24 2.88 -1.26 -4.89 113.62 108.01 1ggj n SER 28 Ca 0.00 -1.82 -0.10 0.00 -1.33 0.00 0.00 58.87 55.62 1ggj n SER 28 Cb 0.00 -0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1ggj n SER 28 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ggj h LEU 29 N 0.00 0.51-10.12 2.46 3.38 -2.10 -3.42 115.31 106.01 1ggj h LEU 29 Ca -0.00 -0.25 -0.53 0.00 0.09 0.00 0.00 57.88 57.19 1ggj h LEU 29 Cb 1.33 -0.13 0.13 0.00 0.09 0.00 0.00 40.66 42.07 1ggj h LEU 29 CO 0.00 0.63 0.45 0.00 0.09 0.00 0.00 178.44 179.61 1ggj s ALA 30 N -5.22 2.42 0.54 1.53 0.00 -1.26 -4.97 121.76 114.81 1ggj s ALA 30 Ca -0.13 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 1ggj s ALA 30 Cb 0.09 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1ggj s ALA 30 CO 0.75 -1.38 1.17 -1.25 0.00 0.00 0.00 175.76 175.05 1ggj s PRO 31 N -3.52 3.31 0.31 0.00 0.04 -1.26 -4.95 135.00 128.94 1ggj s PRO 31 Ca 0.77 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.63 1ggj s PRO 31 Cb -0.30 -2.08 0.51 0.00 0.04 0.00 0.00 34.50 32.67 1ggj s PRO 31 CO 0.37 -0.91 1.74 1.49 0.04 0.00 0.00 177.00 179.72 1ggj h GLU 32 N 1.30 0.23 0.00 4.56 4.57 -1.93 -2.63 114.58 120.68 1ggj h GLU 32 Ca -0.50 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 1ggj h GLU 32 Cb 1.27 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1ggj h GLU 32 CO 0.57 0.57 0.00 -0.40 -1.18 0.00 0.00 179.01 178.57 1ggj n ASP 33 N -4.07 0.00 -0.80 1.04 5.68 -1.26 -4.88 116.55 112.26 1ggj n ASP 33 Ca -0.01 -0.76 -0.10 0.00 -0.50 0.00 0.00 54.79 53.41 1ggj n ASP 33 Cb 0.44 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.38 1ggj n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ggj n GLY 34 N 0.39 1.14 0.00 6.12 0.00 -0.99 -4.89 105.19 106.95 1ggj n GLY 34 Ca 0.16 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.29 0.00 0.15 1.61 3.41 -1.26 -2.54 113.62 114.69 1ggj n SER 35 Ca -0.10 -0.65 0.12 0.00 -0.26 0.00 0.00 58.87 57.98 1ggj n SER 35 Cb 0.42 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.00 0.00 -3.45 7.33 2.07 -1.90 -3.45 115.15 115.75 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 0.00 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 29.75 1ggj h HIS 36 CO 0.00 0.00 -0.65 0.50 -3.07 0.00 0.00 177.93 174.71 1ggj s ARG 37 N -3.21 3.63 0.28 5.12 3.52 -1.05 -5.02 118.95 122.21 1ggj s ARG 37 Ca 0.06 -0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 54.86 1ggj s ARG 37 Cb 0.09 -3.11 -0.10 0.00 -1.56 0.00 0.00 34.95 30.27 1ggj s ARG 37 CO 0.69 -0.01 1.35 -2.14 -0.81 0.00 0.00 175.30 174.38 1ggj s PRO 38 N 1.06 4.34 0.32 5.12 0.02 -1.26 -4.96 135.00 139.64 1ggj s PRO 38 Ca 0.02 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 62.97 1ggj s PRO 38 Cb -0.14 -3.11 -0.13 0.00 0.02 0.00 0.00 34.50 31.14 1ggj s PRO 38 CO 0.02 -0.27 1.21 0.00 -0.33 0.00 0.00 177.00 177.64 1ggj n ALA 39 N 1.65 0.85 -2.18 -1.55 0.00 -1.26 -4.88 120.51 113.13 1ggj n ALA 39 Ca 0.03 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1ggj n ALA 39 Cb 0.42 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1ggj n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ggj n ALA 40 N 0.38 6.30 -3.48 0.00 0.00 -1.26 -4.81 120.51 117.63 1ggj n ALA 40 Ca 0.06 -4.22 -0.13 0.00 0.00 0.00 0.00 53.44 49.15 1ggj n ALA 40 Cb 0.35 -2.76 -0.03 0.00 0.00 0.00 0.00 19.45 17.00 1ggj n ALA 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ggj s GLU 41 N -1.10 1.06 -0.03 0.00 -1.05 -1.21 -4.84 118.70 111.54 1ggj s GLU 41 Ca 0.48 -0.17 -0.33 0.00 -0.15 0.00 0.00 54.97 54.80 1ggj s GLU 41 Cb 0.16 0.49 -0.11 0.00 -0.44 0.00 0.00 34.13 34.23 1ggj s GLU 41 CO -0.06 -0.42 1.89 -2.30 0.95 0.00 0.00 175.26 175.32 1ggj n PRO 42 N 0.12 2.38 -4.19 -4.83 -0.02 -1.26 -4.98 135.00 122.21 1ggj n PRO 42 Ca -0.15 0.87 -0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1ggj n PRO 42 Cb 0.61 -2.74 -0.12 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.93 0.93 0.75 3.45 -4.23 -0.94 -4.95 115.64 114.59 1ggj s THR 43 Ca 0.91 -1.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.18 1ggj s THR 43 Cb -0.62 -0.90 0.05 0.00 1.34 0.00 0.00 72.50 72.37 1ggj s THR 43 CO 0.48 -0.18 1.12 -2.16 -0.54 0.00 0.00 174.62 173.34 1ggj s PRO 44 N -1.45 2.20 0.07 3.99 0.04 -1.26 -2.83 135.00 135.75 1ggj s PRO 44 Ca -0.03 1.40 -0.35 0.00 0.04 0.00 0.00 61.00 62.06 1ggj s PRO 44 Cb -0.09 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 1ggj s PRO 44 CO 0.01 -1.72 1.59 -2.30 0.04 0.00 0.00 177.00 174.63 1ggj n PRO 45 N -3.17 1.87 -0.15 0.56 -0.02 -1.26 -2.20 135.00 130.63 1ggj n PRO 45 Ca 0.11 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1ggj n PRO 45 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.45 1.27 0.09 -1.23 0.00 -1.26 -4.91 105.19 102.60 1ggj n GLY 46 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 0.51 -2.46 4.61 0.00 -1.80 -3.46 119.26 116.66 1ggj h ALA 47 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 1ggj h ALA 47 Cb 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 17.51 1ggj h ALA 47 CO 0.00 1.07 -0.60 -0.65 0.00 0.00 0.00 179.25 179.06 1ggj s GLN 48 N -3.00 0.60 0.34 0.00 -1.52 -1.26 -5.06 119.66 109.76 1ggj s GLN 48 Ca -0.00 -0.99 -0.28 0.00 -1.95 0.00 0.00 55.36 52.13 1ggj s GLN 48 Cb 0.10 0.22 -0.10 0.00 -0.22 0.00 0.00 33.01 33.01 1ggj s GLN 48 CO 0.81 -0.13 1.33 -2.14 -0.25 0.00 0.00 175.29 174.91 1ggj s PRO 49 N -3.28 4.30 0.77 2.91 0.02 -1.26 -4.98 135.00 133.47 1ggj s PRO 49 Ca 0.01 2.26 -0.11 0.00 0.02 0.00 0.00 61.00 63.18 1ggj s PRO 49 Cb 0.03 -3.04 0.05 0.00 0.02 0.00 0.00 34.50 31.57 1ggj s PRO 49 CO -0.08 -0.25 1.09 0.95 -0.33 0.00 0.00 177.00 178.37 1ggj s THR 50 N -1.15 3.40 0.16 0.99 -4.23 -1.26 -4.66 115.64 108.88 1ggj s THR 50 Ca 0.50 0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 1ggj s THR 50 Cb -0.41 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.45 1ggj s THR 50 CO 0.54 -0.59 0.34 0.00 -0.54 0.00 0.00 174.62 174.37 1ggj s ALA 51 N -2.94 -0.34 0.15 3.99 0.00 -1.26 -4.98 121.76 116.39 1ggj s ALA 51 Ca 0.61 -0.62 -0.34 0.00 0.00 0.00 0.00 51.96 51.61 1ggj s ALA 51 Cb -0.17 0.79 -0.15 0.00 0.00 0.00 0.00 23.12 23.59 1ggj s ALA 51 CO 0.56 -0.67 1.35 -2.30 0.00 0.00 0.00 175.76 174.71 1ggj n PRO 52 N -0.23 1.52 -0.31 0.00 -0.02 -1.26 -4.67 135.00 130.03 1ggj n PRO 52 Ca -0.10 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1ggj n PRO 52 Cb 0.63 -2.18 0.23 0.00 -0.02 0.00 0.00 33.50 32.16 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 4.46 1.05 2.00 -1.23 0.00 -1.32 0.52 103.07 108.56 1ggj h GLY 53 Ca -0.45 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ggj h GLY 53 CO 0.78 -0.42 0.00 -1.14 0.00 0.00 0.00 176.54 175.76 1ggj n SER 54 N -5.45 0.60 0.01 0.19 3.41 -1.26 -0.56 113.62 110.56 1ggj n SER 54 Ca 0.19 0.59 -0.20 0.00 -0.26 0.00 0.00 58.87 59.19 1ggj n SER 54 Cb 0.63 -0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 1ggj n SER 54 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ggj h LEU 55 N 0.00 0.39 -0.39 1.04 3.38 -1.31 -3.16 115.31 115.26 1ggj h LEU 55 Ca 0.00 -0.87 -0.12 0.00 0.09 0.00 0.00 57.88 56.99 1ggj h LEU 55 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ggj h LEU 55 CO 0.00 1.77 -0.21 0.50 0.09 0.00 0.00 178.44 180.59 1ggj h LYS 56 N 0.07 0.84 -2.11 1.13 1.63 -1.12 -3.39 116.57 113.61 1ggj h LYS 56 Ca -0.41 -0.37 -0.57 0.00 -0.85 0.00 0.00 60.65 58.45 1ggj h LYS 56 Cb 2.04 -0.02 -0.39 0.00 -0.60 0.00 0.00 32.23 33.26 1ggj h LYS 56 CO 0.09 1.01 -1.03 0.00 -3.45 0.00 0.00 179.45 176.08 1ggj n ALA 57 N -2.49 2.68 0.21 5.00 0.00 0.28 -3.32 120.51 122.87 1ggj n ALA 57 Ca -0.02 -3.49 0.05 0.00 0.00 0.00 0.00 53.44 49.98 1ggj n ALA 57 Cb 0.44 -0.81 0.51 0.00 0.00 0.00 0.00 19.45 19.58 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 4.34 0.04 0.00 0.00 0.13 -1.73 -2.70 132.00 132.08 1ggj h PRO 58 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ggj h PRO 58 Cb 0.86 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ggj h PRO 58 CO 0.48 0.18 -0.24 -0.44 -0.23 0.00 0.00 178.00 177.75 1ggj h ASP 59 N 0.04 0.00 -3.25 1.44 3.32 -1.92 -3.44 116.42 112.61 1ggj h ASP 59 Ca 0.01 -0.08 -0.53 0.00 0.02 0.00 0.00 57.03 56.45 1ggj h ASP 59 Cb 0.27 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.84 1ggj h ASP 59 CO 0.02 0.04 0.61 -0.89 -1.72 0.00 0.00 179.24 177.30 1ggj s THR 60 N -3.13 3.61 0.16 0.35 2.01 -1.02 -5.00 115.64 112.62 1ggj s THR 60 Ca 0.09 1.23 -0.09 0.00 0.31 0.00 0.00 61.69 63.22 1ggj s THR 60 Cb 0.12 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1ggj s THR 60 CO 0.65 0.13 0.28 0.00 -0.69 0.00 0.00 174.62 175.00 1ggj s ARG 61 N 0.57 1.15 0.29 4.92 3.03 -1.26 -5.05 118.95 122.60 1ggj s ARG 61 Ca 0.58 -1.16 -0.20 0.00 2.03 0.00 0.00 55.73 56.98 1ggj s ARG 61 Cb -0.33 0.38 0.04 0.00 -1.03 0.00 0.00 34.95 34.00 1ggj s ARG 61 CO 0.33 -0.42 0.78 0.54 -1.13 0.00 0.00 175.30 175.40 1ggj s ASN 62 N -2.96 -0.17 0.23 -2.89 2.20 -1.26 -5.01 114.94 105.07 1ggj s ASN 62 Ca 0.17 -0.73 -0.07 0.00 -0.94 0.00 0.00 52.86 51.29 1ggj s ASN 62 Cb 0.03 0.72 0.20 0.00 -2.00 0.00 0.00 41.25 40.21 1ggj s ASN 62 CO -0.00 -1.37 1.82 -0.08 -2.94 0.00 0.00 177.10 174.53 1ggj h GLU 63 N 2.00 1.20 -0.30 3.55 4.81 -1.96 -2.03 114.58 121.84 1ggj h GLU 63 Ca -0.23 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 1ggj h GLU 63 Cb 1.25 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1ggj h GLU 63 CO 0.28 0.93 -0.14 -0.22 -0.73 0.00 0.00 179.01 179.14 1ggj h LYS 64 N 1.18 0.63 -0.36 1.92 1.63 -1.96 -1.96 116.57 117.65 1ggj h LYS 64 Ca 0.28 -0.27 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1ggj h LYS 64 Cb 0.14 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1ggj h LYS 64 CO -0.03 0.85 0.08 -0.07 -3.45 0.00 0.00 179.45 176.83 1ggj h LEU 65 N 0.38 0.48 -0.37 5.20 3.38 -1.91 -2.14 115.31 120.33 1ggj h LEU 65 Ca 0.07 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1ggj h LEU 65 Cb 0.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ggj h LEU 65 CO 0.04 0.50 -0.38 0.78 0.09 0.00 0.00 178.44 179.47 1ggj h ASN 66 N 0.52 0.98 0.90 -0.43 2.35 -1.30 -3.07 115.58 115.54 1ggj h ASN 66 Ca 0.12 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1ggj h ASN 66 Cb 0.21 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1ggj h ASN 66 CO -0.00 1.25 0.00 0.77 -1.65 0.00 0.00 177.43 177.80 1ggj h SER 67 N 0.73 0.00 1.26 5.81 4.64 -0.73 -2.40 113.55 122.86 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 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1ggj h SER 67 CO 0.09 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.23 1ggj n LEU 68 N -3.03 0.57 -0.26 5.97 4.77 -0.91 -4.03 117.00 120.08 1ggj n LEU 68 Ca 0.00 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1ggj n LEU 68 Cb 0.28 -0.39 0.39 0.00 -2.33 0.00 0.00 43.42 41.36 1ggj n LEU 68 CO 0.26 -0.17 1.22 -0.08 -1.33 0.00 0.00 177.39 177.29 1ggj h GLU 69 N 0.00 0.65 0.00 3.23 4.57 -1.48 -1.66 114.58 119.90 1ggj h GLU 69 Ca 0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ggj h GLU 69 Cb 0.63 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ggj h GLU 69 CO 0.00 0.43 -0.01 0.38 -1.18 0.00 0.00 179.01 178.63 1ggj h ASP 70 N 0.67 0.00 -0.00 1.04 -0.00 -1.81 -2.23 116.42 114.09 1ggj h ASP 70 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.47 1ggj h ASP 70 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.06 1ggj h ASP 70 CO -0.20 0.01 -0.66 1.33 -0.00 0.00 0.00 179.24 179.73 1ggj n VAL 71 N -3.20 0.00 -2.16 4.15 0.24 -0.65 -4.97 118.33 111.74 1ggj n VAL 71 Ca -0.02 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.34 61.71 1ggj n VAL 71 Cb 0.15 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.36 4.22 -0.01 7.34 0.52 -0.84 -5.01 118.95 122.81 1ggj s ARG 72 Ca 0.07 2.09 0.05 0.00 -0.52 0.00 0.00 55.73 57.42 1ggj s ARG 72 Cb 0.12 -2.93 -0.01 0.00 0.52 0.00 0.00 34.95 32.65 1ggj s ARG 72 CO 0.59 -0.25 -0.15 -1.59 0.02 0.00 0.00 175.30 173.92 1ggj s LYS 73 N -1.97 1.18 0.00 3.54 -2.85 -1.26 -5.02 119.74 113.36 1ggj s LYS 73 Ca 0.52 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 1ggj s LYS 73 Cb -0.37 -1.15 0.00 0.00 -2.06 0.00 0.00 37.83 34.25 1ggj s LYS 73 CO 0.48 0.31 0.00 0.41 0.10 0.00 0.00 175.35 176.65 1ggj n GLY 74 N 2.67 1.38 0.00 0.59 0.00 -1.26 -5.07 105.19 103.50 1ggj n GLY 74 Ca -0.14 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -4.72 1.61 3.41 -1.26 -5.08 113.62 107.58 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 -0.62 -0.16 0.00 0.00 175.04 174.26 1ggj n GLU 76 N -0.22 2.71 -0.97 4.33 1.02 -1.26 -2.01 120.64 124.24 1ggj n GLU 76 Ca 0.00 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 1ggj n GLU 76 Cb 0.00 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 28.63 1ggj n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ggj n ASN 77 N 3.32 -3.35 -4.87 1.62 3.02 -1.26 -5.02 115.26 108.73 1ggj n ASN 77 Ca 0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 1ggj n ASN 77 Cb 0.35 -1.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.09 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 -1.89 3.35 0.36 3.10 2.02 -0.85 -5.09 117.35 118.36 1ggj s TYR 78 Ca 0.00 0.11 -0.24 0.00 -0.37 0.00 0.00 57.07 56.57 1ggj s TYR 78 Cb 0.00 -1.65 -0.10 0.00 -0.40 0.00 0.00 41.96 39.81 1ggj s TYR 78 CO 0.00 0.54 0.97 0.00 -1.57 0.00 0.00 175.55 175.49 1ggj s ALA 79 N -1.60 3.15 -0.06 3.71 0.00 -1.26 -5.00 121.76 120.70 1ggj s ALA 79 Ca 0.33 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1ggj s ALA 79 Cb -0.12 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1ggj s ALA 79 CO 0.26 0.08 1.41 -1.17 0.00 0.00 0.00 175.76 176.34 1ggj s LEU 80 N -2.43 4.28 0.35 0.00 2.96 -1.26 -4.99 118.68 117.59 1ggj s LEU 80 Ca 0.54 2.01 0.04 0.00 -0.22 0.00 0.00 54.13 56.50 1ggj s LEU 80 Cb -0.17 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1ggj s LEU 80 CO 0.22 -0.77 0.08 0.42 -1.32 0.00 0.00 176.35 174.98 1ggj s THR 81 N 3.05 1.02 0.95 3.68 -4.23 -1.26 -1.30 115.64 117.54 1ggj s THR 81 Ca 0.63 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.99 1ggj s THR 81 Cb -0.29 -2.65 0.17 0.00 1.34 0.00 0.00 72.50 71.07 1ggj s THR 81 CO 0.24 0.00 1.24 0.42 -0.54 0.00 0.00 174.62 175.98 1ggj s THR 82 N -3.27 1.95 0.11 3.99 -4.23 0.14 -4.87 115.64 109.46 1ggj s THR 82 Ca 0.32 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 61.17 1ggj s THR 82 Cb 0.07 -2.91 0.38 0.00 1.34 0.00 0.00 72.50 71.38 1ggj s THR 82 CO 0.15 0.00 2.01 0.78 -0.54 0.00 0.00 174.62 177.02 1ggj h ASN 83 N -1.60 0.00 -0.32 3.99 2.35 -1.99 -1.62 115.58 116.38 1ggj h ASN 83 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1ggj h ASN 83 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1ggj h ASN 83 CO 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 1ggj n GLN 84 N -2.93 2.01 -0.53 0.81 1.13 -1.26 -4.94 117.38 111.67 1ggj n GLN 84 Ca 0.00 -1.54 0.00 0.00 -1.94 0.00 0.00 57.00 53.52 1ggj n GLN 84 Cb 0.24 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.19 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 1.24 0.71 3.64 1.08 0.00 -0.61 -5.06 105.19 106.20 1ggj n GLY 85 Ca 0.16 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 5.07 0.41 1.61 1.01 -1.26 -4.79 120.40 120.45 1ggj s VAL 86 Ca 0.00 0.97 -0.27 0.00 0.00 0.00 0.00 61.98 62.68 1ggj s VAL 86 Cb 0.00 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 1ggj s VAL 86 CO 0.00 0.12 1.44 0.54 0.00 0.00 0.00 175.10 177.20 1ggj n ARG 87 N 5.20 2.42 -3.76 2.72 1.74 -1.26 -0.69 116.66 123.03 1ggj n ARG 87 Ca -0.04 0.86 -0.35 0.00 -0.77 0.00 0.00 57.85 57.55 1ggj n ARG 87 Cb 0.50 -2.63 -0.08 0.00 -1.02 0.00 0.00 32.46 29.24 1ggj n ARG 87 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ggj s ILE 88 N -1.16 5.39 -0.18 0.55 1.01 -0.42 -4.86 121.20 121.53 1ggj s ILE 88 Ca 0.57 0.18 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 1ggj s ILE 88 Cb -0.47 -3.45 -0.22 0.00 0.01 0.00 0.00 42.46 38.34 1ggj s ILE 88 CO 0.61 0.46 0.30 0.00 0.00 0.00 0.00 174.94 176.31 1ggj h ALA 89 N 6.47 0.28 -3.66 9.38 0.00 -1.94 -3.45 119.26 126.34 1ggj h ALA 89 Ca -0.42 -1.21 -0.64 0.00 0.00 0.00 0.00 54.91 52.63 1ggj h ALA 89 Cb 1.16 0.68 -0.39 0.00 0.00 0.00 0.00 17.79 19.25 1ggj h ALA 89 CO 0.74 0.82 -0.76 0.34 0.00 0.00 0.00 179.25 180.39 1ggj s ASP 90 N -6.89 4.44 -0.29 0.00 3.68 -1.26 -4.96 116.67 111.38 1ggj s ASP 90 Ca -0.26 -1.73 0.12 0.00 2.13 0.00 0.00 52.55 52.81 1ggj s ASP 90 Cb 0.06 -1.44 0.79 0.00 -1.45 0.00 0.00 42.92 40.88 1ggj s ASP 90 CO 0.65 -0.31 1.79 -0.67 0.13 0.00 0.00 175.17 176.76 1ggj n ASP 91 N 4.44 5.33 -0.01 -0.34 4.64 -1.26 -4.13 116.55 125.21 1ggj n ASP 91 Ca -0.04 -3.09 0.05 0.00 -1.38 0.00 0.00 54.79 50.33 1ggj n ASP 91 Cb 0.42 -0.72 -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 0.23 3.53 -4.07 -0.67 1.13 -1.26 -5.04 117.38 111.23 1ggj n GLN 92 Ca 0.35 -0.03 -0.09 0.00 -1.94 0.00 0.00 57.00 55.29 1ggj n GLN 92 Cb 1.31 -0.99 -0.11 0.00 0.11 0.00 0.00 30.24 30.57 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 -1.95 0.61 0.35 1.08 0.01 -1.26 -5.16 114.94 108.62 1ggj s ASN 93 Ca 0.04 -0.78 -0.07 0.00 -0.71 0.00 0.00 52.86 51.33 1ggj s ASN 93 Cb 0.08 0.12 -0.06 0.00 0.41 0.00 0.00 41.25 41.80 1ggj s ASN 93 CO 0.42 -0.42 0.66 -0.44 -1.51 0.00 0.00 177.10 175.80 1ggj s SER 94 N -2.31 6.48 -0.15 -1.22 0.01 -1.26 -4.96 113.70 110.29 1ggj s SER 94 Ca -0.01 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 57.87 1ggj s SER 94 Cb -0.01 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 1ggj s SER 94 CO -0.05 -0.30 1.00 -0.22 0.41 0.00 0.00 173.24 174.08 1ggj s LEU 95 N -3.72 4.20 0.08 2.44 2.96 -1.26 -5.00 118.68 118.37 1ggj s LEU 95 Ca 0.47 1.45 -0.01 0.00 -0.22 0.00 0.00 54.13 55.83 1ggj s LEU 95 Cb -0.10 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1ggj s LEU 95 CO 0.31 -0.50 -0.01 0.00 -1.32 0.00 0.00 176.35 174.83 1ggj s ARG 96 N 2.35 0.73 -1.09 1.98 1.70 -1.26 0.11 118.95 123.46 1ggj s ARG 96 Ca 0.46 -1.30 -0.19 0.00 -0.47 0.00 0.00 55.73 54.23 1ggj s ARG 96 Cb -0.17 0.17 0.10 0.00 -0.57 0.00 0.00 34.95 34.48 1ggj s ARG 96 CO 0.14 -0.14 1.41 0.00 -1.08 0.00 0.00 175.30 175.63 1ggj s ALA 97 N -3.93 3.28 0.00 7.88 0.00 -0.93 -4.75 121.76 123.32 1ggj s ALA 97 Ca 0.13 -2.76 0.00 0.00 0.00 0.00 0.00 51.96 49.33 1ggj s ALA 97 Cb 0.08 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1ggj s ALA 97 CO -0.06 -3.20 0.00 0.41 0.00 0.00 0.00 175.76 172.91 1ggj n GLY 98 N 5.63 1.51 0.15 0.00 0.00 -1.26 -3.80 105.19 107.42 1ggj n GLY 98 Ca 0.34 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.81 1ggj n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ggj h SER 99 N 0.00 0.00 -0.09 1.61 4.64 -2.00 -1.40 113.55 116.31 1ggj h SER 99 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ggj h SER 99 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ggj h SER 99 CO 0.00 0.00 -0.02 0.54 -0.87 0.00 0.00 176.83 176.48 1ggj n ARG 100 N -2.30 1.81 -3.10 4.77 1.74 -1.26 -5.06 116.66 113.26 1ggj n ARG 100 Ca 0.01 -2.71 -0.20 0.00 -0.77 0.00 0.00 57.85 54.18 1ggj n ARG 100 Cb 0.20 -1.62 0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1ggj n ARG 100 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ggj s GLY 101 N -2.60 1.75 0.46 -0.13 0.00 -0.53 -5.06 107.32 101.20 1ggj s GLY 101 Ca 0.36 -2.14 -0.24 0.00 0.00 0.00 0.00 44.72 42.70 1ggj s GLY 101 CO 0.04 -1.73 1.30 2.56 0.00 0.00 0.00 173.10 175.27 1ggj s PRO 102 N -4.68 3.69 0.16 2.90 0.04 -1.26 -4.61 135.00 131.24 1ggj s PRO 102 Ca 0.61 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 1ggj s PRO 102 Cb -0.05 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 1ggj s PRO 102 CO 0.38 -0.71 1.12 0.99 0.04 0.00 0.00 177.00 178.83 1ggj s THR 103 N -1.33 3.88 0.23 1.26 2.01 -1.26 -2.19 115.64 118.24 1ggj s THR 103 Ca 0.62 1.57 -0.17 0.00 0.31 0.00 0.00 61.69 64.02 1ggj s THR 103 Cb -0.37 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.05 1ggj s THR 103 CO 0.46 0.25 0.68 -0.76 -0.69 0.00 0.00 174.62 174.56 1ggj s LEU 104 N -0.15 4.28 0.54 4.42 1.43 0.12 -4.95 118.68 124.37 1ggj s LEU 104 Ca 0.51 1.30 0.30 0.00 -1.03 0.00 0.00 54.13 55.21 1ggj s LEU 104 Cb -0.30 -3.62 1.54 0.00 0.03 0.00 0.00 46.19 43.85 1ggj s LEU 104 CO 0.34 -0.00 2.09 0.25 0.23 0.00 0.00 176.35 179.26 1ggj h LEU 105 N 3.19 0.00 0.00 1.79 5.85 -1.95 -2.66 115.31 121.54 1ggj h LEU 105 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1ggj h LEU 105 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ggj h LEU 105 CO 0.66 0.09 0.00 -1.84 -0.34 0.00 0.00 178.44 177.01 1ggj n GLU 106 N -3.48 0.77 -2.45 1.25 0.28 -1.26 -4.54 120.64 111.21 1ggj n GLU 106 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.60 1ggj n GLU 106 Cb 0.23 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.60 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 -1.96 6.22 0.35 -1.84 3.68 -1.00 -4.77 116.67 117.35 1ggj s ASP 107 Ca 0.35 -1.37 0.19 0.00 2.13 0.00 0.00 52.55 53.85 1ggj s ASP 107 Cb 0.16 -2.57 0.42 0.00 -1.45 0.00 0.00 42.92 39.48 1ggj s ASP 107 CO 0.27 -1.77 1.61 2.19 0.13 0.00 0.00 175.17 177.60 1ggj h PHE 108 N 9.93 0.00 -0.10 -5.34 -0.00 -1.90 -2.00 116.94 117.53 1ggj h PHE 108 Ca 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 58.12 1ggj h PHE 108 Cb 1.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.95 1ggj h PHE 108 CO 1.28 0.36 -0.13 0.82 -0.00 0.00 0.00 178.31 180.64 1ggj h ILE 109 N 0.00 1.38 0.26 0.88 2.04 -1.98 0.24 117.51 120.34 1ggj h ILE 109 Ca -0.00 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1ggj h ILE 109 Cb 1.10 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1ggj h ILE 109 CO 0.05 0.38 -0.13 0.25 0.00 0.00 0.00 178.15 178.70 1ggj h LEU 110 N -0.17 -0.30 -0.92 1.44 5.85 -1.92 -1.97 115.31 117.32 1ggj h LEU 110 Ca 0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1ggj h LEU 110 Cb 0.68 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1ggj h LEU 110 CO 0.03 -0.16 0.52 0.03 -0.34 0.00 0.00 178.44 178.52 1ggj h ARG 111 N -0.42 1.28 0.16 1.25 3.08 -1.33 0.44 114.38 118.83 1ggj h ARG 111 Ca -0.04 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1ggj h ARG 111 Cb 0.32 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ggj h ARG 111 CO 0.06 0.92 -0.08 1.49 -1.07 0.00 0.00 179.97 181.29 1ggj h GLU 112 N 1.28 -0.21 0.02 0.04 4.81 -0.87 0.15 114.58 119.81 1ggj h GLU 112 Ca 0.33 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1ggj h GLU 112 Cb 0.00 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1ggj h GLU 112 CO -0.06 -0.05 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.70 1ggj h LYS 113 N -0.32 -0.38 -0.40 1.92 3.64 -1.02 -0.71 116.57 119.29 1ggj h LYS 113 Ca -0.02 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1ggj h LYS 113 Cb 0.25 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1ggj h LYS 113 CO 0.04 -0.25 -0.03 0.82 -2.27 0.00 0.00 179.45 177.75 1ggj h ILE 114 N -0.40 1.23 -0.09 2.00 1.08 -0.86 -2.07 117.51 118.40 1ggj h ILE 114 Ca 0.06 -0.97 0.01 0.00 -0.39 0.00 0.00 64.86 63.57 1ggj h ILE 114 Cb 0.47 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1ggj h ILE 114 CO -0.21 0.33 0.03 0.74 -0.69 0.00 0.00 178.15 178.36 1ggj h THR 115 N 0.62 0.98 0.00 -0.27 2.02 -0.33 0.55 112.91 116.49 1ggj h THR 115 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1ggj h THR 115 Cb 0.44 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1ggj h THR 115 CO 0.02 0.01 -0.02 -0.74 0.37 0.00 0.00 175.52 175.16 1ggj h HIS 116 N 0.08 -0.05 -0.56 3.16 -0.00 -0.99 -2.21 115.15 114.58 1ggj h HIS 116 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.47 1ggj h HIS 116 Cb 0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.40 1ggj h HIS 116 CO -0.10 -0.03 0.27 0.35 -0.00 0.00 0.00 177.93 178.41 1ggj h PHE 117 N -0.04 0.48 0.00 5.26 3.57 -1.15 -2.32 116.94 122.74 1ggj h PHE 117 Ca 0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ggj h PHE 117 Cb 0.05 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1ggj h PHE 117 CO -0.10 0.21 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.74 1ggj h ASP 118 N 0.50 0.00 -0.21 0.41 3.45 0.70 -2.98 116.42 118.30 1ggj h ASP 118 Ca 0.26 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.57 1ggj h ASP 118 Cb 0.21 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.87 1ggj h ASP 118 CO -0.20 0.01 -0.53 1.41 -1.57 0.00 0.00 179.24 178.36 1ggj n HIS 119 N -3.62 0.74 0.09 4.55 8.25 -0.89 -4.80 115.22 119.54 1ggj n HIS 119 Ca -0.03 -1.69 -0.06 0.00 -0.26 0.00 0.00 57.72 55.68 1ggj n HIS 119 Cb 0.10 -0.30 0.04 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 1.28 0.15 -6.71 -0.41 5.08 -1.35 -3.45 114.58 109.16 1ggj h GLU 120 Ca 0.11 -0.15 -0.50 0.00 -1.00 0.00 0.00 59.36 57.83 1ggj h GLU 120 Cb 1.17 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1ggj h GLU 120 CO 0.22 0.86 0.24 1.03 -1.00 0.00 0.00 179.01 180.36 1ggj s ARG 121 N -3.33 4.49 0.20 2.33 1.81 -1.26 -5.07 118.95 118.11 1ggj s ARG 121 Ca -0.02 1.16 0.11 0.00 -1.72 0.00 0.00 55.73 55.25 1ggj s ARG 121 Cb 0.11 -2.93 -0.04 0.00 -0.45 0.00 0.00 34.95 31.63 1ggj s ARG 121 CO 0.81 0.38 -0.19 0.96 -0.68 0.00 0.00 175.30 176.58 1ggj s ILE 122 N -1.48 2.65 0.30 1.52 -4.36 -1.26 -5.10 121.20 113.46 1ggj s ILE 122 Ca 0.45 -1.94 -0.30 0.00 -0.26 0.00 0.00 60.65 58.60 1ggj s ILE 122 Cb -0.19 -2.30 -0.12 0.00 1.25 0.00 0.00 42.46 41.10 1ggj s ILE 122 CO 0.24 -0.14 1.49 -2.65 0.24 0.00 0.00 174.94 174.11 1ggj n PRO 123 N 0.10 2.45 -1.52 0.37 -0.02 -1.26 -4.98 135.00 130.13 1ggj n PRO 123 Ca -0.11 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 1ggj n PRO 123 Cb 0.56 -2.58 0.09 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.93 2.16 0.33 -0.52 -1.05 -1.26 -4.84 118.70 112.59 1ggj s GLU 124 Ca 0.62 0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 55.86 1ggj s GLU 124 Cb -0.54 -1.92 -0.12 0.00 -0.44 0.00 0.00 34.13 31.11 1ggj s GLU 124 CO 0.53 -1.59 1.47 0.54 0.95 0.00 0.00 175.26 177.16 1ggj n ARG 125 N -3.42 2.50 -0.27 -4.83 1.74 -1.26 -4.87 116.66 106.24 1ggj n ARG 125 Ca 0.07 0.88 0.08 0.00 -0.77 0.00 0.00 57.85 58.11 1ggj n ARG 125 Cb 0.56 -2.58 0.23 0.00 -1.02 0.00 0.00 32.46 29.64 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 2.98 0.54 -3.88 0.55 1.08 -1.98 -3.36 117.51 113.43 1ggj h ILE 126 Ca -0.48 -0.13 -0.25 0.00 -0.39 0.00 0.00 64.86 63.61 1ggj h ILE 126 Cb 1.25 0.14 -0.18 0.00 -3.07 0.00 0.00 36.82 34.96 1ggj h ILE 126 CO 0.69 0.07 -0.72 0.68 -0.69 0.00 0.00 178.15 178.18 1ggj s VAL 127 N -5.98 0.64 -1.15 1.67 -7.23 -1.26 -4.82 120.40 102.27 1ggj s VAL 127 Ca -0.12 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1ggj s VAL 127 Cb 0.22 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1ggj s VAL 127 CO 0.77 -0.63 0.03 1.41 -0.31 0.00 0.00 175.10 176.37 1ggj n HIS 128 N 0.69 -0.70 0.07 2.82 8.25 -0.11 -4.90 115.22 121.34 1ggj n HIS 128 Ca -0.17 0.03 0.03 0.00 -0.26 0.00 0.00 57.72 57.35 1ggj n HIS 128 Cb 0.58 -2.96 0.41 0.00 1.12 0.00 0.00 29.99 29.13 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 0.65 1.59 -2.02 -1.41 0.00 -1.71 -3.38 119.26 112.97 1ggj h ALA 129 Ca -0.32 -0.13 -0.62 0.00 0.00 0.00 0.00 54.91 53.83 1ggj h ALA 129 Cb 1.24 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 1ggj h ALA 129 CO 0.38 0.31 0.40 0.50 0.00 0.00 0.00 179.25 180.84 1ggj s ARG 130 N -5.04 3.42 0.02 0.00 6.06 -1.25 -4.14 118.95 118.01 1ggj s ARG 130 Ca -0.07 -0.08 -0.13 0.00 -2.50 0.00 0.00 55.73 52.95 1ggj s ARG 130 Cb 0.16 -3.94 0.02 0.00 0.06 0.00 0.00 34.95 31.25 1ggj s ARG 130 CO 0.73 -1.15 0.28 0.20 -2.50 0.00 0.00 175.30 172.86 1ggj s GLY 131 N 2.19 -0.10 -0.06 8.12 0.00 -1.26 -1.50 107.32 114.71 1ggj s GLY 131 Ca 0.31 0.09 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1ggj s GLY 131 CO 0.23 -0.12 -0.10 -0.56 0.00 0.00 0.00 173.10 172.55 1ggj s SER 132 N -1.74 1.57 0.21 1.64 0.01 0.21 -4.94 113.70 110.66 1ggj s SER 132 Ca -0.09 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 56.97 1ggj s SER 132 Cb -0.03 -0.72 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 1ggj s SER 132 CO -0.00 0.02 -0.08 0.00 0.41 0.00 0.00 173.24 173.58 1ggj s ALA 133 N 0.68 1.89 0.03 1.44 0.00 -1.26 -0.26 121.76 124.28 1ggj s ALA 133 Ca -0.13 -1.69 -0.28 0.00 0.00 0.00 0.00 51.96 49.86 1ggj s ALA 133 Cb -0.15 0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.17 1ggj s ALA 133 CO 0.03 -0.08 0.64 0.00 0.00 0.00 0.00 175.76 176.35 1ggj s ALA 134 N -3.18 -1.68 0.43 0.00 0.00 -0.58 -4.58 121.76 112.17 1ggj s ALA 134 Ca 0.24 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 1ggj s ALA 134 Cb 0.02 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 1ggj s ALA 134 CO 0.07 -0.52 0.76 -1.01 0.00 0.00 0.00 175.76 175.05 1ggj s HIS 135 N -2.19 3.51 0.00 0.00 3.76 0.13 -1.52 115.29 118.98 1ggj s HIS 135 Ca -0.06 0.90 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 1ggj s HIS 135 Cb -0.00 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.34 1ggj s HIS 135 CO 0.01 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 1ggj n GLY 136 N -1.70 1.22 3.12 -2.22 0.00 -0.51 -1.55 105.19 103.55 1ggj n GLY 136 Ca 0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 0.33 0.09 1.61 -0.85 -0.35 -0.77 117.35 114.85 1ggj s TYR 137 Ca 0.00 -0.79 0.08 0.00 -0.52 0.00 0.00 57.07 55.84 1ggj s TYR 137 Cb 0.00 -0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.07 1ggj s TYR 137 CO 0.00 -0.42 -0.20 0.12 -1.52 0.00 0.00 175.55 173.54 1ggj s PHE 138 N -3.53 1.69 -0.20 -3.49 5.36 0.86 -1.44 117.98 117.23 1ggj s PHE 138 Ca 0.03 -0.42 -0.10 0.00 -0.96 0.00 0.00 56.93 55.48 1ggj s PHE 138 Cb 0.04 -0.93 0.07 0.00 -0.34 0.00 0.00 43.02 41.86 1ggj s PHE 138 CO -0.09 0.17 0.48 -1.14 -1.46 0.00 0.00 175.22 173.19 1ggj s GLN 139 N -1.83 0.45 0.48 10.12 0.74 -0.33 -1.16 119.66 128.13 1ggj s GLN 139 Ca 0.05 0.95 -0.21 0.00 0.05 0.00 0.00 55.36 56.20 1ggj s GLN 139 Cb -0.10 0.11 -0.08 0.00 1.10 0.00 0.00 33.01 34.04 1ggj s GLN 139 CO 0.04 -0.17 1.07 -1.25 -0.55 0.00 0.00 175.29 174.42 1ggj s PRO 140 N 1.73 3.76 0.16 1.67 0.04 -1.26 -0.79 135.00 140.31 1ggj s PRO 140 Ca -0.08 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 1ggj s PRO 140 Cb -0.08 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1ggj s PRO 140 CO -0.15 -0.48 1.42 1.88 0.04 0.00 0.00 177.00 179.71 1ggj h TYR 141 N 1.69 0.70 -3.94 0.56 0.99 -1.34 -3.39 116.97 112.25 1ggj h TYR 141 Ca -0.49 -0.30 -0.11 0.00 2.00 0.00 0.00 58.73 59.82 1ggj h TYR 141 Cb 1.23 -0.11 -0.11 0.00 1.00 0.00 0.00 36.73 38.74 1ggj h TYR 141 CO 0.55 1.07 -0.27 -1.59 -0.00 0.00 0.00 178.16 177.92 1ggj s LYS 142 N -3.73 1.44 0.19 4.88 -2.85 -1.26 -4.73 119.74 113.68 1ggj s LYS 142 Ca -0.07 -1.37 -0.30 0.00 -1.00 0.00 0.00 55.97 53.23 1ggj s LYS 142 Cb 0.10 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.20 1ggj s LYS 142 CO 0.86 -0.57 1.23 0.45 0.10 0.00 0.00 175.35 177.42 1ggj s SER 143 N -3.06 7.03 -0.28 0.03 0.15 -1.26 -4.61 113.70 111.70 1ggj s SER 143 Ca 0.28 2.29 0.10 0.00 0.70 0.00 0.00 55.95 59.31 1ggj s SER 143 Cb 0.02 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 62.24 1ggj s SER 143 CO 0.10 -0.41 1.49 0.18 1.20 0.00 0.00 173.24 175.79 1ggj n LEU 144 N 2.47 4.25 0.31 3.45 4.77 -0.10 -4.72 117.00 127.44 1ggj n LEU 144 Ca 0.05 -3.64 0.18 0.00 -0.03 0.00 0.00 56.01 52.56 1ggj n LEU 144 Cb 0.44 -0.63 1.04 0.00 -2.33 0.00 0.00 43.42 41.94 1ggj n LEU 144 CO 0.56 1.15 1.15 0.77 -1.33 0.00 0.00 177.39 179.70 1ggj h SER 145 N 1.12 0.00 -0.03 -1.43 4.64 -1.76 0.40 113.55 116.48 1ggj h SER 145 Ca 0.21 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.45 1ggj h SER 145 Cb 1.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 1ggj h SER 145 CO 0.41 0.00 -0.20 0.44 -0.87 0.00 0.00 176.83 176.61 1ggj h ASP 146 N 0.00 0.40 0.00 4.97 3.45 -1.98 -3.30 116.42 119.96 1ggj h ASP 146 Ca 0.00 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.35 1ggj h ASP 146 Cb 0.01 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1ggj h ASP 146 CO -0.00 0.61 -1.08 2.30 -1.57 0.00 0.00 179.24 179.50 1ggj n ILE 147 N -4.17 0.00 -3.72 0.35 -5.35 -0.15 -4.83 119.36 101.48 1ggj n ILE 147 Ca -0.00 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.09 1ggj n ILE 147 Cb 0.36 0.57 -0.10 0.00 -1.74 0.00 0.00 39.64 38.73 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 -2.45 0.01 -1.45 7.28 -1.32 -0.05 -3.37 115.64 114.28 1ggj s THR 148 Ca -0.01 -0.05 0.15 0.00 -1.21 0.00 0.00 61.69 60.57 1ggj s THR 148 Cb 0.08 -0.62 0.54 0.00 -1.51 0.00 0.00 72.50 70.98 1ggj s THR 148 CO 0.45 -0.03 1.43 2.29 -2.21 0.00 0.00 174.62 176.55 1ggj n LYS 149 N 2.60 2.88 -1.87 7.08 2.85 -0.42 -3.65 118.16 127.63 1ggj n LYS 149 Ca -0.14 -2.15 -0.42 0.00 -1.05 0.00 0.00 58.31 54.54 1ggj n LYS 149 Cb 0.57 -1.66 -0.03 0.00 -0.65 0.00 0.00 35.03 33.26 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 -1.63 3.66 0.32 0.58 0.00 -1.22 -4.63 121.76 118.84 1ggj s ALA 150 Ca 0.39 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.56 1ggj s ALA 150 Cb 0.24 -3.74 0.55 0.00 0.00 0.00 0.00 23.12 20.17 1ggj s ALA 150 CO 0.21 -1.26 1.94 0.22 0.00 0.00 0.00 175.76 176.87 1ggj h ASP 151 N 9.02 0.86 0.39 0.00 3.58 -1.91 -2.46 116.42 125.90 1ggj h ASP 151 Ca -0.44 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1ggj h ASP 151 Cb 1.20 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1ggj h ASP 151 CO 0.94 0.58 0.00 2.22 -2.88 0.00 0.00 179.24 180.10 1ggj n PHE 152 N -4.46 0.61 -0.57 0.28 1.16 -1.26 -1.39 117.46 111.83 1ggj n PHE 152 Ca 0.11 0.27 0.07 0.00 -1.87 0.00 0.00 57.45 56.03 1ggj n PHE 152 Cb 0.14 -0.94 0.17 0.00 -1.61 0.00 0.00 39.48 37.25 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 -2.09 3.12 -0.10 5.98 4.77 -0.93 -4.63 117.00 123.12 1ggj n LEU 153 Ca 0.01 -2.51 0.12 0.00 -0.03 0.00 0.00 56.01 53.60 1ggj n LEU 153 Cb 0.13 -0.35 0.31 0.00 -2.33 0.00 0.00 43.42 41.19 1ggj n LEU 153 CO 0.14 0.68 0.55 -1.54 -1.33 0.00 0.00 177.39 175.88 1ggj n SER 154 N -0.22 0.72 -3.64 -1.43 3.41 -0.49 -0.92 113.62 111.04 1ggj n SER 154 Ca 0.14 -0.52 -0.06 0.00 -0.26 0.00 0.00 58.87 58.17 1ggj n SER 154 Cb 0.61 0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.68 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 -2.78 -0.97 0.49 4.04 3.68 -1.26 -4.59 116.67 115.28 1ggj s ASP 155 Ca 0.17 1.52 0.22 0.00 2.13 0.00 0.00 52.55 56.58 1ggj s ASP 155 Cb 0.18 1.51 1.27 0.00 -1.45 0.00 0.00 42.92 44.43 1ggj s ASP 155 CO 0.62 -0.24 1.97 1.55 0.13 0.00 0.00 175.17 179.20 1ggj h PRO 156 N 7.14 0.15 0.00 4.34 0.13 -1.82 0.67 132.00 142.62 1ggj h PRO 156 Ca -0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ggj h PRO 156 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ggj h PRO 156 CO 0.15 0.10 -0.24 0.09 -0.23 0.00 0.00 178.00 177.87 1ggj n ASN 157 N -4.41 0.49 -4.63 1.44 3.02 -1.26 -4.56 115.26 105.35 1ggj n ASN 157 Ca 0.11 0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.52 1ggj n ASN 157 Cb 0.58 -0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 1ggj n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ggj s LYS 158 N -3.07 3.94 -0.11 3.52 2.20 0.23 -5.01 119.74 121.45 1ggj s LYS 158 Ca 0.11 1.10 -0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1ggj s LYS 158 Cb 0.15 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 1ggj s LYS 158 CO 0.63 -1.08 -0.02 0.96 -0.36 0.00 0.00 175.35 175.48 1ggj s ILE 159 N 4.14 4.12 -0.21 5.43 -5.25 -1.26 -4.43 121.20 123.73 1ggj s ILE 159 Ca 0.51 -0.30 -0.03 0.00 -0.99 0.00 0.00 60.65 59.84 1ggj s ILE 159 Cb -0.14 -2.76 -0.00 0.00 2.95 0.00 0.00 42.46 42.51 1ggj s ILE 159 CO 0.21 0.56 -0.07 -0.89 -1.79 0.00 0.00 174.94 172.96 1ggj s THR 160 N -0.38 3.11 0.72 8.37 2.01 -0.31 -4.95 115.64 124.22 1ggj s THR 160 Ca 0.07 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 1ggj s THR 160 Cb -0.12 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1ggj s THR 160 CO 0.02 0.43 1.22 -2.65 -0.69 0.00 0.00 174.62 172.96 1ggj n PRO 161 N 4.76 0.68 -4.06 4.92 -0.02 -1.26 -0.10 135.00 139.92 1ggj n PRO 161 Ca -0.19 0.30 -0.08 0.00 -2.02 0.00 0.00 63.50 61.51 1ggj n PRO 161 Cb 0.50 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 1ggj n PRO 161 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ggj s VAL 162 N -1.73 0.19 -0.07 -1.45 -7.23 0.05 -2.18 120.40 107.99 1ggj s VAL 162 Ca 0.78 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1ggj s VAL 162 Cb -0.34 -1.58 0.03 0.00 0.56 0.00 0.00 36.38 35.05 1ggj s VAL 162 CO 0.45 -0.84 -0.02 0.12 -0.31 0.00 0.00 175.10 174.50 1ggj s PHE 163 N -3.93 0.77 -0.11 2.82 5.36 -0.66 -1.43 117.98 120.81 1ggj s PHE 163 Ca 0.10 -0.24 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 1ggj s PHE 163 Cb 0.07 -0.81 -0.01 0.00 -0.34 0.00 0.00 43.02 41.93 1ggj s PHE 163 CO -0.08 -0.31 -0.19 0.08 -1.46 0.00 0.00 175.22 173.25 1ggj s VAL 164 N 1.68 2.49 -0.16 3.12 1.01 -0.58 0.39 120.40 128.35 1ggj s VAL 164 Ca 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1ggj s VAL 164 Cb -0.13 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1ggj s VAL 164 CO -0.04 0.55 -0.18 -0.60 0.00 0.00 0.00 175.10 174.82 1ggj s ARG 165 N 0.29 2.69 0.05 2.72 3.52 0.22 -1.53 118.95 126.92 1ggj s ARG 165 Ca -0.14 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.71 1ggj s ARG 165 Cb -0.17 -2.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.85 1ggj s ARG 165 CO 0.07 -0.17 0.25 -0.06 -0.81 0.00 0.00 175.30 174.59 1ggj s PHE 166 N 1.24 3.53 0.39 5.12 0.40 0.64 -1.33 117.98 127.97 1ggj s PHE 166 Ca 0.02 0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.65 1ggj s PHE 166 Cb -0.14 -1.89 0.05 0.00 0.51 0.00 0.00 43.02 41.55 1ggj s PHE 166 CO -0.09 0.58 0.72 -1.54 0.70 0.00 0.00 175.22 175.59 1ggj s SER 167 N -2.15 0.27 0.10 1.36 1.04 -0.59 0.66 113.70 114.38 1ggj s SER 167 Ca 0.33 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.49 1ggj s SER 167 Cb -0.13 0.82 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1ggj s SER 167 CO 0.22 -1.63 0.10 0.35 0.98 0.00 0.00 173.24 173.26 1ggj n THR 168 N -0.55 0.00 -0.02 2.02 -2.24 -0.56 -0.58 114.28 112.34 1ggj n THR 168 Ca -0.06 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.29 1ggj n THR 168 Cb 0.60 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.94 0.91 -0.01 2.28 0.31 -1.21 -3.86 118.33 115.80 1ggj n VAL 169 Ca 0.01 0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.30 1ggj n VAL 169 Cb 0.11 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.20 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 -0.35 -0.06 -7.29 5.55 -0.00 -1.96 -0.27 115.11 110.73 1ggj h GLN 170 Ca -0.13 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.01 1ggj h GLN 170 Cb 0.80 0.01 0.16 0.00 0.00 0.00 0.00 27.48 28.46 1ggj h GLN 170 CO -0.08 0.55 0.27 0.20 0.00 0.00 0.00 178.83 179.77 1ggj s GLY 171 N -3.55 1.68 1.05 2.39 0.00 -1.26 -4.75 107.32 102.87 1ggj s GLY 171 Ca -0.15 0.41 -0.15 0.00 0.00 0.00 0.00 44.72 44.82 1ggj s GLY 171 CO 0.59 0.80 1.15 -0.32 0.00 0.00 0.00 173.10 175.32 1ggj s GLY 172 N -3.04 1.61 0.56 0.20 0.00 -1.26 -3.87 107.32 101.51 1ggj s GLY 172 Ca 0.64 -0.76 0.31 0.00 0.00 0.00 0.00 44.72 44.90 1ggj s GLY 172 CO 0.57 -0.04 2.14 0.00 0.00 0.00 0.00 173.10 175.77 1ggj h ALA 173 N -2.01 1.26 -0.49 3.20 0.00 -1.95 -0.76 119.26 118.51 1ggj h ALA 173 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ggj h ALA 173 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ggj h ALA 173 CO 0.47 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1ggj n GLY 174 N -0.78 1.44 3.92 0.00 0.00 -1.26 -4.73 105.19 103.78 1ggj n GLY 174 Ca -0.02 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.96 4.39 0.37 1.61 1.04 -0.29 -5.06 113.70 114.81 1ggj s SER 175 Ca 0.34 0.57 -0.21 0.00 0.48 0.00 0.00 55.95 57.12 1ggj s SER 175 Cb 0.18 -1.04 -0.10 0.00 0.10 0.00 0.00 66.02 65.16 1ggj s SER 175 CO 0.22 -1.93 0.89 0.00 0.98 0.00 0.00 173.24 173.40 1ggj s ALA 176 N -3.51 3.16 0.01 5.32 0.00 -1.26 -4.89 121.76 120.60 1ggj s ALA 176 Ca 0.63 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 1ggj s ALA 176 Cb -0.10 -3.06 -0.21 0.00 0.00 0.00 0.00 23.12 19.74 1ggj s ALA 176 CO 0.48 0.19 1.14 -0.44 0.00 0.00 0.00 175.76 177.14 1ggj h ASP 177 N 2.43 0.53 -0.49 0.00 3.45 -0.60 -3.36 116.42 118.37 1ggj h ASP 177 Ca -0.48 -0.71 -0.32 0.00 0.43 0.00 0.00 57.03 55.95 1ggj h ASP 177 Cb 1.18 -0.16 -0.13 0.00 -0.56 0.00 0.00 39.33 39.66 1ggj h ASP 177 CO 0.63 1.16 0.37 0.35 -1.57 0.00 0.00 179.24 180.18 1ggj n THR 178 N -4.26 2.78 -1.77 0.35 -2.24 -1.26 -4.90 114.28 102.98 1ggj n THR 178 Ca -0.09 -1.71 -0.29 0.00 -2.27 0.00 0.00 64.05 59.69 1ggj n THR 178 Cb 0.62 -1.39 0.10 0.00 -2.10 0.00 0.00 70.33 67.57 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 -2.05 2.08 -0.36 2.28 -7.23 -1.26 -4.30 120.40 109.56 1ggj s VAL 179 Ca 0.32 0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 60.31 1ggj s VAL 179 Cb 0.24 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1ggj s VAL 179 CO -0.03 -0.04 0.70 -0.60 -0.31 0.00 0.00 175.10 174.82 1ggj s ARG 180 N -5.46 3.72 0.06 4.82 3.52 -1.26 -4.56 118.95 119.80 1ggj s ARG 180 Ca 0.62 0.18 -0.27 0.00 -0.13 0.00 0.00 55.73 56.13 1ggj s ARG 180 Cb -0.12 -3.80 0.09 0.00 -1.56 0.00 0.00 34.95 29.55 1ggj s ARG 180 CO 0.51 -0.77 0.96 0.34 -0.81 0.00 0.00 175.30 175.53 1ggj s ASP 181 N 1.80 -0.25 0.71 -2.12 3.68 -0.88 -4.60 116.67 115.01 1ggj s ASP 181 Ca 0.27 -0.20 -0.11 0.00 2.13 0.00 0.00 52.55 54.64 1ggj s ASP 181 Cb -0.14 0.41 0.02 0.00 -1.45 0.00 0.00 42.92 41.76 1ggj s ASP 181 CO 0.15 -0.72 1.07 -0.63 0.13 0.00 0.00 175.17 175.18 1ggj s ILE 182 N -3.12 3.72 -0.03 4.11 -1.09 -1.26 -4.57 121.20 118.95 1ggj s ILE 182 Ca 0.09 0.60 0.06 0.00 -2.23 0.00 0.00 60.65 59.17 1ggj s ILE 182 Cb -0.01 -3.21 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 1ggj s ILE 182 CO -0.03 -0.69 -0.22 -0.13 -1.23 0.00 0.00 174.94 172.64 1ggj s ARG 183 N -4.83 2.25 0.24 2.79 1.81 -1.26 -3.36 118.95 116.59 1ggj s ARG 183 Ca 0.60 -0.84 -0.14 0.00 -1.72 0.00 0.00 55.73 53.62 1ggj s ARG 183 Cb -0.16 -2.17 -0.08 0.00 -0.45 0.00 0.00 34.95 32.10 1ggj s ARG 183 CO 0.53 0.58 0.65 0.20 -0.68 0.00 0.00 175.30 176.58 1ggj s GLY 184 N -0.66 2.40 -0.32 -3.53 0.00 0.25 -0.79 107.32 104.68 1ggj s GLY 184 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 1ggj s GLY 184 CO -0.00 0.19 0.21 -0.12 0.00 0.00 0.00 173.10 173.37 1ggj s PHE 185 N -1.74 0.26 -0.15 1.90 2.19 0.32 -1.55 117.98 119.22 1ggj s PHE 185 Ca 0.47 -1.02 -0.03 0.00 0.33 0.00 0.00 56.93 56.68 1ggj s PHE 185 Cb -0.13 -0.78 -0.03 0.00 -1.31 0.00 0.00 43.02 40.78 1ggj s PHE 185 CO 0.19 -0.86 -0.05 0.00 1.83 0.00 0.00 175.22 176.33 1ggj s ALA 186 N 1.72 2.95 -0.14 11.12 0.00 -0.44 -0.47 121.76 136.51 1ggj s ALA 186 Ca 0.13 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1ggj s ALA 186 Cb -0.18 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.46 1ggj s ALA 186 CO -0.20 0.23 -0.15 0.99 0.00 0.00 0.00 175.76 176.64 1ggj s THR 187 N 0.32 1.59 -0.29 0.00 2.01 -0.02 -0.61 115.64 118.64 1ggj s THR 187 Ca -0.05 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 1ggj s THR 187 Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1ggj s THR 187 CO 0.03 0.46 0.31 -0.75 -0.69 0.00 0.00 174.62 173.98 1ggj s LYS 188 N 1.33 3.90 -0.31 4.92 2.20 0.16 0.22 119.74 132.16 1ggj s LYS 188 Ca 0.02 -0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 1ggj s LYS 188 Cb -0.13 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1ggj s LYS 188 CO -0.08 -0.29 0.20 -0.06 -0.36 0.00 0.00 175.35 174.75 1ggj s PHE 189 N 1.95 3.21 -1.10 4.03 0.40 0.20 -1.65 117.98 125.02 1ggj s PHE 189 Ca 0.12 -0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.12 1ggj s PHE 189 Cb -0.16 -2.41 0.17 0.00 0.51 0.00 0.00 43.02 41.13 1ggj s PHE 189 CO 0.11 -0.31 1.30 0.71 0.70 0.00 0.00 175.22 177.73 1ggj s TYR 190 N 1.71 3.43 0.51 0.36 2.02 -0.93 -1.17 117.35 123.29 1ggj s TYR 190 Ca 0.06 -1.93 -0.05 0.00 -0.37 0.00 0.00 57.07 54.79 1ggj s TYR 190 Cb -0.17 -4.26 -0.02 0.00 -0.40 0.00 0.00 41.96 37.11 1ggj s TYR 190 CO 0.09 -1.39 0.81 0.95 -1.57 0.00 0.00 175.55 174.44 1ggj s THR 191 N 1.73 4.35 -2.00 -0.71 -4.23 -1.01 -4.35 115.64 109.42 1ggj s THR 191 Ca 0.38 0.02 0.21 0.00 -1.18 0.00 0.00 61.69 61.12 1ggj s THR 191 Cb -0.04 -3.67 0.59 0.00 1.34 0.00 0.00 72.50 70.72 1ggj s THR 191 CO -0.04 -0.64 1.63 -0.62 -0.54 0.00 0.00 174.62 174.42 1ggj n GLU 192 N -2.34 0.71 -0.43 3.99 1.02 -1.26 -2.56 120.64 119.77 1ggj n GLU 192 Ca 0.02 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.21 1ggj n GLU 192 Cb 0.56 -1.45 0.08 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 -0.95 0.65 0.00 3.49 1.02 -1.26 -4.87 120.64 118.72 1ggj n GLU 193 Ca 0.15 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1ggj n GLU 193 Cb 0.07 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.63 2.64 3.72 0.62 0.00 -1.06 -4.70 105.19 105.78 1ggj n GLY 194 Ca 0.09 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.99 3.97 -0.20 -0.61 -1.09 -1.26 -2.40 121.20 117.62 1ggj s ILE 195 Ca 0.00 1.50 0.01 0.00 -2.23 0.00 0.00 60.65 59.94 1ggj s ILE 195 Cb 0.00 -3.96 0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1ggj s ILE 195 CO 0.00 0.17 -0.15 0.12 -1.23 0.00 0.00 174.94 173.85 1ggj s PHE 196 N 0.61 2.73 -0.23 3.97 5.36 -0.31 -4.15 117.98 125.96 1ggj s PHE 196 Ca 0.55 -1.75 -0.09 0.00 -0.96 0.00 0.00 56.93 54.69 1ggj s PHE 196 Cb -0.29 -1.81 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 1ggj s PHE 196 CO 0.31 -0.79 0.11 -0.51 -1.46 0.00 0.00 175.22 172.88 1ggj s ASP 197 N 1.29 5.66 -0.54 6.13 -0.00 -0.66 0.61 116.67 129.16 1ggj s ASP 197 Ca 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 52.55 52.47 1ggj s ASP 197 Cb -0.15 -2.01 0.14 0.00 -0.00 0.00 0.00 42.92 40.89 1ggj s ASP 197 CO -0.10 0.04 0.39 -0.22 -0.00 0.00 0.00 175.17 175.28 1ggj s LEU 198 N 1.18 5.54 -0.76 1.23 0.20 0.13 -4.43 118.68 121.78 1ggj s LEU 198 Ca 0.06 -2.34 -0.16 0.00 0.69 0.00 0.00 54.13 52.38 1ggj s LEU 198 Cb -0.14 -1.93 0.17 0.00 -0.43 0.00 0.00 46.19 43.86 1ggj s LEU 198 CO 0.04 -0.53 0.76 -0.69 -0.29 0.00 0.00 176.35 175.64 1ggj s VAL 199 N 0.70 5.31 0.00 1.68 1.01 -1.26 -0.84 120.40 127.00 1ggj s VAL 199 Ca 0.11 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.12 1ggj s VAL 199 Cb -0.22 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.67 1ggj s VAL 199 CO -0.03 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.60 1ggj n GLY 200 N 4.60 5.22 3.33 4.51 0.00 0.38 -4.91 105.19 118.32 1ggj n GLY 200 Ca 0.07 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.00 1.12 -1.90 4.61 0.00 -0.71 -0.52 121.76 122.35 1ggj s ALA 201 Ca 0.00 -1.67 0.15 0.00 0.00 0.00 0.00 51.96 50.44 1ggj s ALA 201 Cb 0.00 1.33 0.46 0.00 0.00 0.00 0.00 23.12 24.91 1ggj s ALA 201 CO 0.00 -0.69 1.37 0.27 0.00 0.00 0.00 175.76 176.72 1ggj n ASN 202 N -0.90 2.83 -4.11 0.00 6.94 0.03 -0.85 115.26 119.21 1ggj n ASN 202 Ca 0.03 -2.04 -0.19 0.00 -0.02 0.00 0.00 54.58 52.36 1ggj n ASN 202 Cb 0.63 -0.36 -0.13 0.00 -2.36 0.00 0.00 39.78 37.56 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 -1.37 0.98 -0.60 5.53 -4.23 -1.26 -4.58 115.64 110.09 1ggj s THR 203 Ca 0.34 -0.90 0.21 0.00 -1.18 0.00 0.00 61.69 60.16 1ggj s THR 203 Cb 0.18 -0.89 0.21 0.00 1.34 0.00 0.00 72.50 73.34 1ggj s THR 203 CO 0.22 -0.01 1.63 -0.81 -0.54 0.00 0.00 174.62 175.12 1ggj n PRO 204 N 2.01 0.14 -4.42 3.99 -0.04 -1.26 -4.63 135.00 130.78 1ggj n PRO 204 Ca -0.18 0.39 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 1ggj n PRO 204 Cb 0.55 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 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 -3.25 1.09 0.41 0.52 -0.00 -1.26 -4.36 121.20 114.35 1ggj s ILE 205 Ca 0.04 -2.00 0.08 0.00 -0.00 0.00 0.00 60.65 58.77 1ggj s ILE 205 Cb 0.09 -2.75 -0.04 0.00 -0.00 0.00 0.00 42.46 39.76 1ggj s ILE 205 CO 0.34 -0.02 0.25 0.12 -0.00 0.00 0.00 174.94 175.64 1ggj s PHE 206 N -3.37 2.66 0.26 1.37 2.19 0.06 -4.88 117.98 116.28 1ggj s PHE 206 Ca 0.36 -0.53 0.03 0.00 0.33 0.00 0.00 56.93 57.13 1ggj s PHE 206 Cb 0.08 -2.01 0.35 0.00 -1.31 0.00 0.00 43.02 40.13 1ggj s PHE 206 CO 0.15 0.08 1.64 0.74 1.83 0.00 0.00 175.22 179.67 1ggj h PHE 207 N 1.28 0.42 -2.66 10.12 -1.00 -1.89 -3.39 116.94 119.82 1ggj h PHE 207 Ca -0.42 -0.12 -0.49 0.00 2.81 0.00 0.00 57.97 59.74 1ggj h PHE 207 Cb 1.26 -0.09 -0.14 0.00 3.61 0.00 0.00 35.95 40.59 1ggj h PHE 207 CO 0.58 0.73 -0.70 0.96 -1.61 0.00 0.00 178.31 178.27 1ggj s ILE 208 N -4.13 1.76 -0.17 -0.55 -4.36 -1.26 -2.96 121.20 109.53 1ggj s ILE 208 Ca -0.05 -2.18 0.01 0.00 -0.26 0.00 0.00 60.65 58.17 1ggj s ILE 208 Cb 0.13 -2.32 -0.22 0.00 1.25 0.00 0.00 42.46 41.30 1ggj s ILE 208 CO 0.79 -0.40 0.15 0.00 0.24 0.00 0.00 174.94 175.72 1ggj n GLN 209 N -0.53 0.70 -5.25 0.37 6.02 -1.26 -4.60 117.38 112.83 1ggj n GLN 209 Ca -0.06 0.20 -0.31 0.00 -0.01 0.00 0.00 57.00 56.81 1ggj n GLN 209 Cb 0.62 -1.63 -0.16 0.00 1.02 0.00 0.00 30.24 30.09 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 -6.59 3.16 0.58 1.08 -1.08 -1.26 -2.65 116.67 109.91 1ggj s ASP 210 Ca -0.24 -0.45 0.31 0.00 -0.52 0.00 0.00 52.55 51.64 1ggj s ASP 210 Cb 0.08 -0.57 1.77 0.00 -1.46 0.00 0.00 42.92 42.74 1ggj s ASP 210 CO 0.72 0.30 2.21 0.00 0.52 0.00 0.00 175.17 178.92 1ggj h ALA 211 N 5.68 1.39 -0.08 3.66 0.00 -1.70 -2.50 119.26 125.71 1ggj h ALA 211 Ca -0.39 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1ggj h ALA 211 Cb 1.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ggj h ALA 211 CO 0.47 0.04 0.06 1.25 0.00 0.00 0.00 179.25 181.08 1ggj h HIS 212 N 0.00 0.00 -0.28 0.00 6.17 -1.95 -1.56 115.15 117.53 1ggj h HIS 212 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1ggj h HIS 212 Cb 0.11 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.04 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 -4.36 1.93 -0.24 5.26 5.02 -0.94 -4.49 118.16 120.34 1ggj n LYS 213 Ca -0.01 -1.42 -0.06 0.00 -2.02 0.00 0.00 58.31 54.80 1ggj n LYS 213 Cb 0.17 -1.39 0.05 0.00 -0.02 0.00 0.00 35.03 33.83 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 2.66 0.88 -0.56 2.13 3.04 -1.43 -0.12 116.94 123.54 1ggj h PHE 214 Ca 0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1ggj h PHE 214 Cb 0.59 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.78 1ggj h PHE 214 CO 0.18 0.59 0.21 -1.35 -2.02 0.00 0.00 178.31 175.93 1ggj h PRO 215 N 0.91 0.82 0.47 6.41 0.11 -1.80 0.24 132.00 139.15 1ggj h PRO 215 Ca 0.24 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1ggj h PRO 215 Cb -0.03 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1ggj h PRO 215 CO -0.05 0.68 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.76 1ggj h ASP 216 N 0.81 -0.53 -0.18 -2.05 3.45 -1.63 0.84 116.42 117.12 1ggj h ASP 216 Ca 0.19 -0.07 0.03 0.00 0.43 0.00 0.00 57.03 57.62 1ggj h ASP 216 Cb 0.17 0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.05 1ggj h ASP 216 CO -0.02 -0.23 -0.04 0.15 -1.57 0.00 0.00 179.24 177.54 1ggj h PHE 217 N -0.83 -0.08 -0.56 4.55 3.04 -0.76 -1.04 116.94 121.26 1ggj h PHE 217 Ca -0.06 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.86 1ggj h PHE 217 Cb 0.57 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 1ggj h PHE 217 CO -0.00 -0.07 0.20 0.28 -2.02 0.00 0.00 178.31 176.70 1ggj h VAL 218 N 0.01 1.23 -0.81 1.41 2.07 -0.53 -1.86 116.25 117.77 1ggj h VAL 218 Ca 0.09 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.88 1ggj h VAL 218 Cb 0.13 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1ggj h VAL 218 CO -0.18 0.28 0.54 0.45 0.02 0.00 0.00 177.57 178.68 1ggj h HIS 219 N 0.78 1.00 -0.65 1.57 3.86 -0.67 0.67 115.15 121.71 1ggj h HIS 219 Ca 0.18 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1ggj h HIS 219 Cb 0.24 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1ggj h HIS 219 CO 0.01 0.62 0.11 0.00 0.86 0.00 0.00 177.93 179.53 1ggj h ALA 220 N 1.50 0.97 0.08 2.45 0.00 -0.76 -3.21 119.26 120.30 1ggj h ALA 220 Ca 0.31 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 1ggj h ALA 220 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1ggj h ALA 220 CO -0.07 0.65 -1.31 -0.24 0.00 0.00 0.00 179.25 178.27 1ggj h VAL 221 N 0.99 1.39 -3.74 0.00 3.04 -0.66 -2.58 116.25 114.70 1ggj h VAL 221 Ca 0.20 -3.04 -0.47 0.00 -1.01 0.00 0.00 66.70 62.38 1ggj h VAL 221 Cb 0.42 2.81 0.19 0.00 -2.01 0.00 0.00 31.29 32.69 1ggj h VAL 221 CO 0.01 0.86 0.14 -0.54 -1.01 0.00 0.00 177.57 177.02 1ggj s LYS 222 N -2.65 0.17 0.22 4.17 -0.14 0.16 -4.66 119.74 117.00 1ggj s LYS 222 Ca -0.04 0.92 -0.32 0.00 -1.36 0.00 0.00 55.97 55.17 1ggj s LYS 222 Cb 0.08 -1.67 -0.14 0.00 -1.68 0.00 0.00 37.83 34.41 1ggj s LYS 222 CO 0.85 -3.02 1.29 -2.30 -0.76 0.00 0.00 175.35 171.41 1ggj n PRO 223 N -4.43 1.65 -1.96 -1.68 -0.02 -1.25 -4.78 135.00 122.52 1ggj n PRO 223 Ca 0.06 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 1ggj n PRO 223 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.48 3.88 0.50 -0.52 2.02 0.20 -4.71 118.70 119.59 1ggj s GLU 224 Ca 0.69 2.26 0.17 0.00 0.02 0.00 0.00 54.97 58.11 1ggj s GLU 224 Cb -0.73 -2.73 1.23 0.00 0.10 0.00 0.00 34.13 31.99 1ggj s GLU 224 CO 0.51 -0.60 2.10 -1.00 0.02 0.00 0.00 175.26 176.30 1ggj h PRO 225 N 2.58 0.00 -0.08 0.39 0.13 -1.89 0.45 132.00 133.57 1ggj h PRO 225 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1ggj h PRO 225 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ggj h PRO 225 CO 0.62 0.06 -0.34 1.12 -0.23 0.00 0.00 178.00 179.24 1ggj h HIS 226 N 0.00 0.50 0.00 1.56 2.07 -1.96 -3.39 115.15 113.93 1ggj h HIS 226 Ca -0.00 -0.21 0.00 0.00 -2.85 0.00 0.00 60.37 57.31 1ggj h HIS 226 Cb 0.12 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 30.02 1ggj h HIS 226 CO 0.00 0.95 0.00 -2.67 -3.07 0.00 0.00 177.93 173.14 1ggj n TRP 227 N -4.40 0.00 -3.61 6.12 4.27 -1.15 -5.02 117.44 113.64 1ggj n TRP 227 Ca -0.08 -0.01 -0.20 0.00 -3.89 0.00 0.00 57.50 53.32 1ggj n TRP 227 Cb 0.51 -0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.51 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 -0.01 -2.03 -2.72 -1.67 0.00 0.16 -4.98 120.51 109.26 1ggj n ALA 228 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 1ggj n ALA 228 Cb 0.01 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 17.18 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 -3.57 0.54 0.15 0.00 1.01 -1.25 -4.67 121.20 113.40 1ggj s ILE 229 Ca 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.41 1ggj s ILE 229 Cb -0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1ggj s ILE 229 CO 0.79 0.15 0.10 -2.16 0.00 0.00 0.00 174.94 173.82 1ggj s PRO 230 N -0.17 2.82 -0.03 2.79 0.04 -1.26 -0.63 135.00 138.56 1ggj s PRO 230 Ca 0.03 -0.87 -0.23 0.00 0.04 0.00 0.00 61.00 59.97 1ggj s PRO 230 Cb -0.03 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1ggj s PRO 230 CO -0.00 0.50 0.69 -1.14 0.04 0.00 0.00 177.00 177.09 1ggj s GLN 231 N -2.92 4.43 -1.52 4.56 2.00 -1.26 -3.94 119.66 121.01 1ggj s GLN 231 Ca 0.30 0.89 0.00 0.00 -2.00 0.00 0.00 55.36 54.55 1ggj s GLN 231 Cb -0.10 -3.41 0.00 0.00 0.80 0.00 0.00 33.01 30.30 1ggj s GLN 231 CO 0.22 0.17 0.00 0.41 -0.50 0.00 0.00 175.29 175.59 1ggj n GLY 232 N 2.83 -0.09 3.01 2.59 0.00 -1.26 -4.98 105.19 107.29 1ggj n GLY 232 Ca -0.03 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.69 0.16 0.00 1.61 -0.21 -1.26 -4.41 119.66 110.86 1ggj s GLN 233 Ca 0.00 0.24 0.25 0.00 0.02 0.00 0.00 55.36 55.87 1ggj s GLN 233 Cb 0.00 0.03 0.42 0.00 1.00 0.00 0.00 33.01 34.46 1ggj s GLN 233 CO 0.00 -0.05 1.38 -1.13 -2.12 0.00 0.00 175.29 173.37 1ggj n SER 234 N 3.24 2.22 -3.65 5.90 3.41 -1.26 -4.72 113.62 118.76 1ggj n SER 234 Ca -0.15 -1.66 -0.41 0.00 -0.26 0.00 0.00 58.87 56.38 1ggj n SER 234 Cb 0.58 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.62 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 0.57 5.02 -3.24 7.33 0.00 -1.26 -4.54 120.51 124.38 1ggj n ALA 235 Ca 0.14 -3.63 -0.12 0.00 0.00 0.00 0.00 53.44 49.83 1ggj n ALA 235 Cb 0.49 -3.54 -0.04 0.00 0.00 0.00 0.00 19.45 16.36 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 3.65 -0.40 0.15 0.00 -3.43 -1.26 -4.68 115.29 109.31 1ggj s HIS 236 Ca 0.51 0.20 -0.26 0.00 -0.80 0.00 0.00 55.06 54.71 1ggj s HIS 236 Cb 0.14 0.41 -0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1ggj s HIS 236 CO -0.03 -0.75 1.58 -0.44 -2.00 0.00 0.00 174.74 173.10 1ggj h ASP 237 N 2.29 -1.28 -0.91 7.38 5.19 -1.88 -3.08 116.42 124.13 1ggj h ASP 237 Ca -0.33 0.19 0.08 0.00 -0.62 0.00 0.00 57.03 56.35 1ggj h ASP 237 Cb 1.27 0.56 -0.06 0.00 0.18 0.00 0.00 39.33 41.28 1ggj h ASP 237 CO 0.42 -0.37 0.59 0.71 -3.12 0.00 0.00 179.24 177.46 1ggj h THR 238 N -0.36 1.02 0.38 0.35 1.35 -1.95 0.72 112.91 114.43 1ggj h THR 238 Ca 0.13 -0.33 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 1ggj h THR 238 Cb 0.58 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1ggj h THR 238 CO -0.50 0.18 -0.18 0.15 -0.25 0.00 0.00 175.52 174.91 1ggj h PHE 239 N 0.97 -0.47 0.00 4.73 3.57 -1.37 -1.83 116.94 122.54 1ggj h PHE 239 Ca 0.41 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 1ggj h PHE 239 Cb 0.30 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1ggj h PHE 239 CO -0.00 -0.21 -0.17 -1.49 -2.23 0.00 0.00 178.31 174.21 1ggj h TRP 240 N -0.66 0.00 0.03 0.41 4.06 -1.46 -0.51 115.95 117.81 1ggj h TRP 240 Ca -0.05 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 1ggj h TRP 240 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1ggj h TRP 240 CO -0.01 0.17 -0.01 0.22 -3.56 0.00 0.00 178.44 175.25 1ggj h ASP 241 N 0.00 -0.03 0.04 -3.49 3.58 -0.66 -0.43 116.42 115.43 1ggj h ASP 241 Ca -0.00 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.27 1ggj h ASP 241 Cb 0.41 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1ggj h ASP 241 CO 0.02 0.18 -0.14 0.22 -2.88 0.00 0.00 179.24 176.64 1ggj h TYR 242 N -0.23 -0.35 -0.74 0.28 5.03 -0.70 -2.25 116.97 118.01 1ggj h TYR 242 Ca -0.00 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.35 1ggj h TYR 242 Cb 0.22 0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.60 1ggj h TYR 242 CO -0.01 -0.21 0.46 0.28 -1.32 0.00 0.00 178.16 177.37 1ggj h VAL 243 N -0.25 1.08 0.00 1.81 2.07 -1.06 -0.77 116.25 119.13 1ggj h VAL 243 Ca 0.04 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1ggj h VAL 243 Cb 0.29 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1ggj h VAL 243 CO -0.11 0.16 -0.15 0.77 0.02 0.00 0.00 177.57 178.26 1ggj h SER 244 N 0.88 0.00 -0.03 0.57 4.64 -0.74 -2.58 113.55 116.29 1ggj h SER 244 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1ggj h SER 244 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ggj h SER 244 CO -0.13 0.15 -0.10 0.18 -0.87 0.00 0.00 176.83 176.07 1ggj n LEU 245 N -3.76 2.78 -3.41 5.97 4.77 -0.84 -4.69 117.00 117.83 1ggj n LEU 245 Ca -0.02 -0.95 -0.27 0.00 -0.03 0.00 0.00 56.01 54.74 1ggj n LEU 245 Cb 0.26 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 1ggj n LEU 245 CO 0.32 0.47 -0.32 -1.10 -1.33 0.00 0.00 177.39 175.43 1ggj s GLN 246 N -2.07 0.86 0.61 3.23 -1.52 -0.36 -5.00 119.66 115.41 1ggj s GLN 246 Ca 0.26 -2.00 0.30 0.00 -1.95 0.00 0.00 55.36 51.97 1ggj s GLN 246 Cb 0.19 -1.41 1.68 0.00 -0.22 0.00 0.00 33.01 33.25 1ggj s GLN 246 CO 0.35 -1.36 2.06 -1.00 -0.25 0.00 0.00 175.29 175.09 1ggj h PRO 247 N 5.84 0.00 -0.22 2.91 0.13 -1.84 -1.17 132.00 137.64 1ggj h PRO 247 Ca 0.24 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.43 1ggj h PRO 247 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1ggj h PRO 247 CO 0.36 0.00 0.20 1.05 -0.23 0.00 0.00 178.00 179.38 1ggj h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -2.02 114.58 115.66 1ggj h GLU 248 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1ggj h GLU 248 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ggj h GLU 248 CO -0.00 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.33 1ggj n THR 249 N -4.04 0.75 0.07 -1.06 -2.24 -0.44 -4.13 114.28 103.19 1ggj n THR 249 Ca 0.03 0.08 0.04 0.00 -2.27 0.00 0.00 64.05 61.93 1ggj n THR 249 Cb 0.34 -0.97 0.46 0.00 -2.10 0.00 0.00 70.33 68.06 1ggj n THR 249 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ggj h LEU 250 N 0.00 0.34 0.12 3.22 3.38 -1.55 -1.45 115.31 119.37 1ggj h LEU 250 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ggj h LEU 250 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ggj h LEU 250 CO 0.00 0.29 -0.06 -0.74 0.09 0.00 0.00 178.44 178.02 1ggj h HIS 251 N 0.39 -0.15 0.00 1.13 2.76 -1.81 -0.46 115.15 117.01 1ggj h HIS 251 Ca 0.10 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 1ggj h HIS 251 Cb 0.03 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1ggj h HIS 251 CO 0.00 0.13 -0.31 -0.97 -1.30 0.00 0.00 177.93 175.49 1ggj h ASN 252 N -0.43 0.00 -0.63 3.26 -0.00 -1.76 -2.44 115.58 113.58 1ggj h ASN 252 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.25 1ggj h ASN 252 Cb 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.64 1ggj h ASN 252 CO 0.03 0.31 0.26 0.58 -0.00 0.00 0.00 177.43 178.61 1ggj h VAL 253 N 0.00 1.23 -0.36 2.57 2.07 -0.99 0.01 116.25 120.78 1ggj h VAL 253 Ca -0.00 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1ggj h VAL 253 Cb 0.77 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1ggj h VAL 253 CO 0.04 0.28 -0.07 0.24 0.02 0.00 0.00 177.57 178.09 1ggj h MET 254 N 0.88 0.03 -0.51 1.57 2.86 -0.58 0.47 114.93 119.64 1ggj h MET 254 Ca 0.21 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1ggj h MET 254 Cb 0.19 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1ggj h MET 254 CO -0.02 0.02 0.22 -1.49 1.06 0.00 0.00 176.91 176.70 1ggj h TRP 255 N 0.03 0.77 -0.99 -0.22 4.06 -1.37 -2.12 115.95 116.10 1ggj h TRP 255 Ca 0.18 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 61.09 1ggj h TRP 255 Cb 0.26 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.14 1ggj h TRP 255 CO -0.31 0.62 0.66 0.00 -3.56 0.00 0.00 178.44 175.85 1ggj h ALA 256 N 1.07 1.30 0.00 1.49 0.00 -0.30 -2.28 119.26 120.54 1ggj h ALA 256 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ggj h ALA 256 Cb 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ggj h ALA 256 CO -0.02 0.64 0.00 0.52 0.00 0.00 0.00 179.25 180.40 1ggj h MET 257 N 1.33 0.00 -7.73 0.00 2.86 -0.72 -3.33 114.93 107.34 1ggj h MET 257 Ca 0.37 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.56 1ggj h MET 257 Cb -0.14 0.00 0.15 0.00 0.06 0.00 0.00 31.60 31.68 1ggj h MET 257 CO -0.08 0.00 0.38 -1.54 1.06 0.00 0.00 176.91 176.73 1ggj s SER 258 N -5.19 3.23 0.04 1.22 1.04 -0.82 -4.09 113.70 109.13 1ggj s SER 258 Ca 0.06 0.15 0.14 0.00 0.48 0.00 0.00 55.95 56.78 1ggj s SER 258 Cb 0.09 -0.22 0.58 0.00 0.10 0.00 0.00 66.02 66.57 1ggj s SER 258 CO 0.56 -2.65 1.43 0.47 0.98 0.00 0.00 173.24 174.03 1ggj n ASP 259 N -3.65 0.10 0.11 7.02 10.43 -1.26 -1.66 116.55 127.63 1ggj n ASP 259 Ca 0.16 0.53 0.09 0.00 2.57 0.00 0.00 54.79 58.14 1ggj n ASP 259 Cb 0.60 -0.55 0.58 0.00 1.84 0.00 0.00 41.12 43.58 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 0.19 0.00 -1.24 2.47 -1.88 -1.41 114.38 112.50 1ggj h ARG 260 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1ggj h ARG 260 Cb 0.22 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1ggj h ARG 260 CO 0.00 0.12 0.00 0.41 0.56 0.00 0.00 179.97 181.06 1ggj n GLY 261 N -1.54 -0.95 2.24 0.04 0.00 -0.67 -4.01 105.19 100.30 1ggj n GLY 261 Ca 0.02 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.41 -0.11 -1.75 -0.61 -5.35 -0.53 -2.07 119.36 107.53 1ggj n ILE 262 Ca 0.05 -4.33 -0.39 0.00 -0.27 0.00 0.00 62.75 57.81 1ggj n ILE 262 Cb 0.16 -1.58 0.03 0.00 -1.74 0.00 0.00 39.64 36.52 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 1.04 1.90 -0.27 6.28 -0.04 -1.25 -0.41 135.00 142.25 1ggj n PRO 263 Ca 0.23 0.69 -0.05 0.00 -0.04 0.00 0.00 63.50 64.33 1ggj n PRO 263 Cb 0.54 -2.60 0.06 0.00 -0.04 0.00 0.00 33.50 31.46 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 1.75 1.02 -2.59 0.54 9.65 -1.39 -3.39 114.38 119.95 1ggj h ARG 264 Ca -0.51 -0.12 0.08 0.00 -1.10 0.00 0.00 59.98 58.34 1ggj h ARG 264 Cb 1.29 -0.20 -0.11 0.00 -1.39 0.00 0.00 29.97 29.56 1ggj h ARG 264 CO 0.58 0.75 0.38 -1.54 2.80 0.00 0.00 179.97 182.95 1ggj s SER 265 N -6.04 -0.36 0.46 -3.80 1.04 -1.26 -4.92 113.70 98.82 1ggj s SER 265 Ca -0.13 -0.17 0.13 0.00 0.48 0.00 0.00 55.95 56.26 1ggj s SER 265 Cb 0.15 0.51 1.05 0.00 0.10 0.00 0.00 66.02 67.83 1ggj s SER 265 CO 0.80 -0.88 2.05 1.88 0.98 0.00 0.00 173.24 178.06 1ggj h TYR 266 N 2.00 0.10 -0.16 5.02 0.05 -1.89 -1.58 116.97 120.51 1ggj h TYR 266 Ca -0.25 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.53 1ggj h TYR 266 Cb 1.26 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.96 1ggj h TYR 266 CO 0.30 0.16 0.10 0.00 -1.05 0.00 0.00 178.16 177.68 1ggj h ARG 267 N 0.10 0.18 -1.54 4.88 3.08 -1.96 -3.26 114.38 115.86 1ggj h ARG 267 Ca 0.02 -0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.41 1ggj h ARG 267 Cb 0.16 -0.04 -0.36 0.00 0.08 0.00 0.00 29.97 29.81 1ggj h ARG 267 CO 0.01 0.12 -0.05 0.25 -1.07 0.00 0.00 179.97 179.22 1ggj n THR 268 N -4.51 2.87 -4.05 2.04 -2.24 -0.59 -4.37 114.28 103.42 1ggj n THR 268 Ca -0.00 -4.50 -0.11 0.00 -2.27 0.00 0.00 64.05 57.16 1ggj n THR 268 Cb 0.10 -1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 66.99 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 -3.74 0.50 0.70 -0.78 0.23 -1.23 -1.53 119.30 113.44 1ggj s MET 269 Ca 0.51 -0.79 -0.10 0.00 -1.03 0.00 0.00 55.69 54.27 1ggj s MET 269 Cb 0.42 -0.13 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 1ggj s MET 269 CO -0.22 0.00 1.07 -1.21 -2.03 0.00 0.00 175.02 172.63 1ggj s GLU 270 N -1.89 2.73 0.04 3.16 2.02 -1.26 -4.32 118.70 119.18 1ggj s GLU 270 Ca -0.09 0.31 0.03 0.00 0.02 0.00 0.00 54.97 55.24 1ggj s GLU 270 Cb -0.08 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 1ggj s GLU 270 CO -0.01 -1.05 -0.09 0.20 0.02 0.00 0.00 175.26 174.33 1ggj s GLY 271 N -4.38 0.55 -0.06 -1.39 0.00 -0.56 -4.19 107.32 97.29 1ggj s GLY 271 Ca 0.58 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 44.50 1ggj s GLY 271 CO 0.50 -0.74 0.20 -1.36 0.00 0.00 0.00 173.10 171.70 1ggj s PHE 272 N -1.10 -0.17 -0.62 1.90 0.08 -0.03 -0.67 117.98 117.38 1ggj s PHE 272 Ca -0.06 0.39 0.26 0.00 0.12 0.00 0.00 56.93 57.64 1ggj s PHE 272 Cb -0.08 0.05 0.81 0.00 -0.57 0.00 0.00 43.02 43.23 1ggj s PHE 272 CO 0.01 -0.17 1.75 0.78 -0.10 0.00 0.00 175.22 177.49 1ggj h GLY 273 N 5.32 0.00 0.00 4.36 0.00 -1.44 -1.90 103.07 109.41 1ggj h GLY 273 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ggj h GLY 273 CO 0.38 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.31 1ggj n ILE 274 N -2.39 0.00 -1.71 2.60 5.41 -1.26 -4.82 119.36 117.18 1ggj n ILE 274 Ca 0.05 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.48 1ggj n ILE 274 Cb 0.40 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.37 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 3.08 -0.17 1.39 3.76 -1.26 -4.86 115.29 117.23 1ggj s HIS 275 Ca 0.00 1.45 -0.26 0.00 -0.15 0.00 0.00 55.06 56.09 1ggj s HIS 275 Cb 0.00 -2.92 -0.01 0.00 1.11 0.00 0.00 32.58 30.76 1ggj s HIS 275 CO 0.00 -1.19 0.89 0.99 -0.85 0.00 0.00 174.74 174.58 1ggj s THR 276 N -2.87 4.83 0.07 1.30 2.01 -1.26 -4.52 115.64 115.20 1ggj s THR 276 Ca 0.60 1.75 0.00 0.00 0.31 0.00 0.00 61.69 64.35 1ggj s THR 276 Cb -0.15 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1ggj s THR 276 CO 0.50 -0.01 0.04 0.49 -0.69 0.00 0.00 174.62 174.94 1ggj n PHE 277 N 5.39 -0.96 -4.61 4.92 3.72 0.51 -4.12 117.46 122.31 1ggj n PHE 277 Ca 0.06 -0.29 -0.23 0.00 -0.05 0.00 0.00 57.45 56.94 1ggj n PHE 277 Cb 0.48 -0.05 -0.14 0.00 -0.94 0.00 0.00 39.48 38.83 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 -2.26 1.24 -0.14 -1.08 0.52 0.35 -0.93 118.95 116.64 1ggj s ARG 278 Ca 0.03 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.42 1ggj s ARG 278 Cb -0.00 -1.26 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 1ggj s ARG 278 CO 0.02 0.33 0.08 -0.51 0.02 0.00 0.00 175.30 175.24 1ggj s LEU 279 N -0.87 3.99 -0.14 2.53 1.43 0.39 -0.74 118.68 125.26 1ggj s LEU 279 Ca 0.05 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1ggj s LEU 279 Cb -0.08 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1ggj s LEU 279 CO 0.01 0.30 -0.12 -0.63 0.23 0.00 0.00 176.35 176.14 1ggj s ILE 280 N -0.40 1.41 0.56 -0.59 -1.09 -0.08 -1.08 121.20 119.93 1ggj s ILE 280 Ca 0.10 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 1ggj s ILE 280 Cb -0.12 -1.37 0.11 0.00 -1.58 0.00 0.00 42.46 39.50 1ggj s ILE 280 CO 0.02 0.41 0.76 -0.46 -1.23 0.00 0.00 174.94 174.43 1ggj n ASN 281 N 4.82 0.96 0.23 3.58 0.23 -0.60 -1.30 115.26 123.18 1ggj n ASN 281 Ca -0.15 -1.82 0.07 0.00 -0.53 0.00 0.00 54.58 52.14 1ggj n ASN 281 Cb 0.50 -0.50 0.56 0.00 -2.08 0.00 0.00 39.78 38.26 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 -0.64 1.64 -0.19 -2.53 0.00 -1.88 -2.01 119.26 113.65 1ggj h ALA 282 Ca -0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ggj h ALA 282 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ggj h ALA 282 CO 0.26 0.19 0.00 0.39 0.00 0.00 0.00 179.25 180.10 1ggj n GLU 283 N -4.21 1.49 -0.90 0.00 4.71 -1.26 -4.70 120.64 115.78 1ggj n GLU 283 Ca -0.02 -0.76 0.00 0.00 -0.01 0.00 0.00 57.16 56.37 1ggj n GLU 283 Cb 0.23 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.44 1ggj n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ggj n GLY 284 N 0.89 0.48 3.76 0.62 0.00 -0.75 -5.04 105.19 105.15 1ggj n GLY 284 Ca 0.09 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.29 4.19 -0.14 1.61 2.20 -1.26 -4.85 119.74 120.20 1ggj s LYS 285 Ca 0.00 0.43 -0.07 0.00 -0.36 0.00 0.00 55.97 55.97 1ggj s LYS 285 Cb 0.00 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1ggj s LYS 285 CO 0.00 0.36 0.10 0.00 -0.36 0.00 0.00 175.35 175.46 1ggj s ALA 286 N -0.04 3.67 -0.04 3.13 0.00 -1.26 -1.55 121.76 125.66 1ggj s ALA 286 Ca 0.25 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.57 1ggj s ALA 286 Cb -0.16 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1ggj s ALA 286 CO 0.11 0.43 -0.21 0.99 0.00 0.00 0.00 175.76 177.09 1ggj s THR 287 N -0.44 1.69 0.40 0.00 2.01 -0.24 -4.26 115.64 114.78 1ggj s THR 287 Ca 0.11 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 61.00 1ggj s THR 287 Cb -0.12 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.87 1ggj s THR 287 CO 0.02 0.48 1.07 -0.36 -0.69 0.00 0.00 174.62 175.14 1ggj s PHE 288 N -0.13 3.23 -0.04 4.92 0.08 -0.36 -0.46 117.98 125.23 1ggj s PHE 288 Ca -0.02 1.63 -0.05 0.00 0.12 0.00 0.00 56.93 58.62 1ggj s PHE 288 Cb -0.12 -3.18 0.01 0.00 -0.57 0.00 0.00 43.02 39.16 1ggj s PHE 288 CO 0.02 -0.76 0.12 0.54 -0.10 0.00 0.00 175.22 175.04 1ggj s VAL 289 N -1.60 0.02 -0.11 -0.44 0.11 -0.10 -2.26 120.40 116.01 1ggj s VAL 289 Ca 0.57 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.53 1ggj s VAL 289 Cb -0.24 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1ggj s VAL 289 CO 0.30 -0.07 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.67 1ggj s ARG 290 N -0.18 3.15 0.01 1.54 0.52 -0.40 -0.36 118.95 123.23 1ggj s ARG 290 Ca -0.03 -0.81 -0.23 0.00 -0.52 0.00 0.00 55.73 54.14 1ggj s ARG 290 Cb -0.02 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.99 1ggj s ARG 290 CO 0.00 0.20 0.69 -0.06 0.02 0.00 0.00 175.30 176.15 1ggj s PHE 291 N 0.33 3.70 0.08 -0.53 0.08 -1.26 -1.40 117.98 118.97 1ggj s PHE 291 Ca -0.16 1.34 0.07 0.00 0.12 0.00 0.00 56.93 58.30 1ggj s PHE 291 Cb -0.17 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 1ggj s PHE 291 CO 0.08 0.28 -0.19 -1.01 -0.10 0.00 0.00 175.22 174.28 1ggj s HIS 292 N -0.02 1.67 -0.15 0.36 3.76 0.22 -1.15 115.29 120.00 1ggj s HIS 292 Ca 0.35 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 1ggj s HIS 292 Cb -0.19 -0.94 0.02 0.00 1.11 0.00 0.00 32.58 32.57 1ggj s HIS 292 CO 0.20 0.15 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.47 1ggj s TRP 293 N -1.06 2.45 -0.20 1.40 0.52 0.15 0.23 118.94 122.43 1ggj s TRP 293 Ca 0.05 -1.31 -0.06 0.00 0.02 0.00 0.00 56.10 54.80 1ggj s TRP 293 Cb -0.10 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1ggj s TRP 293 CO 0.03 -0.65 0.03 0.21 0.02 0.00 0.00 176.95 176.60 1ggj s LYS 294 N 1.11 3.75 -0.27 4.98 2.20 -0.23 -1.50 119.74 129.79 1ggj s LYS 294 Ca -0.01 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.85 1ggj s LYS 294 Cb -0.14 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1ggj s LYS 294 CO -0.06 0.08 1.43 -1.25 -0.36 0.00 0.00 175.35 175.18 1ggj s PRO 295 N 0.85 3.86 0.13 4.03 0.04 -1.26 -0.26 135.00 142.38 1ggj s PRO 295 Ca 0.02 1.40 0.18 0.00 0.04 0.00 0.00 61.00 62.64 1ggj s PRO 295 Cb -0.14 -3.94 0.78 0.00 0.04 0.00 0.00 34.50 31.24 1ggj s PRO 295 CO 0.02 -1.20 1.57 1.28 0.04 0.00 0.00 177.00 178.71 1ggj n LEU 296 N 7.98 0.32 -0.17 -3.56 4.77 -0.52 -0.86 117.00 124.96 1ggj n LEU 296 Ca 0.16 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.86 1ggj n LEU 296 Cb 0.46 -0.54 0.56 0.00 -2.33 0.00 0.00 43.42 41.56 1ggj n LEU 296 CO 0.64 -0.42 0.82 0.00 -1.33 0.00 0.00 177.39 177.10 1ggj n ALA 297 N -1.63 2.82 0.00 -1.18 0.00 -1.26 -4.95 120.51 114.31 1ggj n ALA 297 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1ggj n ALA 297 Cb 0.19 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.28 -0.04 3.76 0.00 0.00 -0.04 -3.71 105.19 106.44 1ggj n GLY 298 Ca 0.14 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.73 4.20 -0.27 1.61 1.02 -1.26 -4.20 119.74 119.10 1ggj s LYS 299 Ca 0.00 0.37 -0.24 0.00 0.02 0.00 0.00 55.97 56.12 1ggj s LYS 299 Cb 0.00 -3.37 0.08 0.00 -0.52 0.00 0.00 37.83 34.02 1ggj s LYS 299 CO 0.00 0.33 0.74 0.00 -0.92 0.00 0.00 175.35 175.51 1ggj s ALA 300 N 0.08 -1.81 0.12 5.17 0.00 -0.58 -4.83 121.76 119.91 1ggj s ALA 300 Ca 0.23 2.06 0.03 0.00 0.00 0.00 0.00 51.96 54.28 1ggj s ALA 300 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1ggj s ALA 300 CO 0.10 -0.34 -0.07 -1.12 0.00 0.00 0.00 175.76 174.33 1ggj s SER 301 N 0.51 1.40 1.01 0.00 0.01 -1.26 -1.16 113.70 114.21 1ggj s SER 301 Ca -0.01 -1.02 -0.10 0.00 1.31 0.00 0.00 55.95 56.13 1ggj s SER 301 Cb -0.05 0.06 0.13 0.00 0.21 0.00 0.00 66.02 66.37 1ggj s SER 301 CO -0.02 -0.42 0.76 0.18 0.41 0.00 0.00 173.24 174.15 1ggj n LEU 302 N -0.12 0.00 -4.63 2.44 4.77 0.45 -4.62 117.00 115.30 1ggj n LEU 302 Ca -0.11 -0.83 -0.28 0.00 -0.03 0.00 0.00 56.01 54.76 1ggj n LEU 302 Cb 0.61 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1ggj n LEU 302 CO 0.31 -1.09 -0.37 0.68 -1.33 0.00 0.00 177.39 175.59 1ggj s VAL 303 N -2.64 3.57 0.16 4.08 -7.23 -1.26 -4.90 120.40 112.17 1ggj s VAL 303 Ca 0.43 -1.37 -0.28 0.00 -1.81 0.00 0.00 61.98 58.95 1ggj s VAL 303 Cb -0.01 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1ggj s VAL 303 CO 0.31 -0.03 1.56 -0.25 -0.31 0.00 0.00 175.10 176.38 1ggj h TRP 304 N 3.06 -1.37 -0.67 2.82 -0.00 -1.97 -0.32 115.95 117.49 1ggj h TRP 304 Ca -0.48 0.08 0.12 0.00 -0.00 0.00 0.00 58.89 58.61 1ggj h TRP 304 Cb 1.19 0.67 -0.09 0.00 -0.00 0.00 0.00 29.16 30.93 1ggj h TRP 304 CO 0.62 -0.44 0.23 0.22 -0.00 0.00 0.00 178.44 179.07 1ggj h ASP 305 N -0.29 0.18 -0.15 2.65 -0.00 -1.99 -0.37 116.42 116.45 1ggj h ASP 305 Ca 0.14 0.10 -0.01 0.00 -0.00 0.00 0.00 57.03 57.27 1ggj h ASP 305 Cb 0.57 0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 40.00 1ggj h ASP 305 CO -0.64 0.08 0.05 -0.08 -0.00 0.00 0.00 179.24 178.66 1ggj h GLU 306 N 0.38 0.23 -0.01 0.28 4.81 -1.83 -1.26 114.58 117.19 1ggj h GLU 306 Ca 0.36 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.57 1ggj h GLU 306 Cb 0.52 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1ggj h GLU 306 CO -0.38 0.34 -0.25 0.00 -0.73 0.00 0.00 179.01 177.99 1ggj h ALA 307 N 0.88 -0.33 -0.27 2.92 0.00 -0.16 0.64 119.26 122.94 1ggj h ALA 307 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ggj h ALA 307 Cb 0.20 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ggj h ALA 307 CO -0.00 -0.75 0.17 0.37 0.00 0.00 0.00 179.25 179.05 1ggj h GLN 308 N -0.38 0.35 -0.99 0.00 4.15 -1.07 -1.42 115.11 115.75 1ggj h GLN 308 Ca 0.06 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1ggj h GLN 308 Cb 0.47 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1ggj h GLN 308 CO -0.23 0.24 0.65 0.87 -1.93 0.00 0.00 178.83 178.44 1ggj h LYS 309 N 0.36 1.29 -0.07 1.69 1.57 -1.04 -2.12 116.57 118.25 1ggj h LYS 309 Ca 0.10 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1ggj h LYS 309 Cb -0.03 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 1ggj h LYS 309 CO -0.02 0.86 -0.17 1.25 -0.57 0.00 0.00 179.45 180.79 1ggj h LEU 310 N 1.33 0.10 -1.88 2.94 5.85 -0.31 -1.27 115.31 122.07 1ggj h LEU 310 Ca 0.36 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1ggj h LEU 310 Cb -0.15 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1ggj h LEU 310 CO -0.08 0.28 -0.06 0.71 -0.34 0.00 0.00 178.44 178.95 1ggj h THR 311 N 0.10 1.04 0.01 1.05 1.35 -0.56 0.32 112.91 116.21 1ggj h THR 311 Ca 0.02 -0.21 -0.07 0.00 -0.55 0.00 0.00 66.41 65.60 1ggj h THR 311 Cb 0.37 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1ggj h THR 311 CO 0.02 0.06 -0.35 1.23 -0.25 0.00 0.00 175.52 176.24 1ggj h GLY 312 N 0.19 0.01 1.61 5.82 0.00 -1.40 -3.18 103.07 106.12 1ggj h GLY 312 Ca -0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 1ggj h GLY 312 CO 0.01 0.03 -0.64 3.21 0.00 0.00 0.00 176.54 179.15 1ggj h ARG 313 N -0.97 0.40 -1.36 4.80 2.47 -1.03 -3.41 114.38 115.28 1ggj h ARG 313 Ca -0.09 -0.29 -0.22 0.00 -1.26 0.00 0.00 59.98 58.12 1ggj h ARG 313 Cb 1.10 0.05 -0.23 0.00 -1.65 0.00 0.00 29.97 29.24 1ggj h ARG 313 CO -0.04 0.90 -0.58 0.34 0.56 0.00 0.00 179.97 181.15 1ggj s ASP 314 N -6.93 -0.58 0.38 7.04 2.15 0.11 -4.99 116.67 113.84 1ggj s ASP 314 Ca -0.06 -1.57 0.26 0.00 0.43 0.00 0.00 52.55 51.61 1ggj s ASP 314 Cb 0.11 1.36 1.36 0.00 -0.30 0.00 0.00 42.92 45.44 1ggj s ASP 314 CO 0.83 -0.15 1.79 1.55 -0.17 0.00 0.00 175.17 179.02 1ggj h PRO 315 N 6.13 0.00 -0.52 4.34 0.13 -1.58 -1.36 132.00 139.14 1ggj h PRO 315 Ca 0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.15 1ggj h PRO 315 Cb 1.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1ggj h PRO 315 CO 0.12 0.00 0.07 -0.25 -0.23 0.00 0.00 178.00 177.71 1ggj n ASP 316 N -2.41 4.85 -0.20 1.44 8.00 -1.26 0.14 116.55 127.11 1ggj n ASP 316 Ca -0.01 -3.08 -0.05 0.00 0.71 0.00 0.00 54.79 52.36 1ggj n ASP 316 Cb 0.07 -0.66 0.05 0.00 -0.02 0.00 0.00 41.12 40.56 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 2.91 0.68 -0.32 1.24 3.04 -1.60 0.27 116.94 123.16 1ggj h PHE 317 Ca 0.08 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.89 1ggj h PHE 317 Cb 1.92 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 40.20 1ggj h PHE 317 CO 0.98 0.40 -0.43 0.45 -2.02 0.00 0.00 178.31 177.69 1ggj h HIS 318 N 0.72 0.96 0.17 0.41 3.86 -1.86 0.74 115.15 120.15 1ggj h HIS 318 Ca 0.23 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1ggj h HIS 318 Cb 0.00 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1ggj h HIS 318 CO -0.05 1.08 -0.08 -0.09 0.86 0.00 0.00 177.93 179.65 1ggj h ARG 319 N 0.64 -0.22 -0.31 2.45 2.43 -1.82 -0.74 114.38 116.81 1ggj h ARG 319 Ca 0.04 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1ggj h ARG 319 Cb 1.00 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1ggj h ARG 319 CO 0.10 -0.12 0.17 -0.09 -1.51 0.00 0.00 179.97 178.51 1ggj h ARG 320 N -0.26 0.34 -0.39 0.20 2.43 -0.42 -1.68 114.38 114.59 1ggj h ARG 320 Ca -0.02 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ggj h ARG 320 Cb 0.20 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1ggj h ARG 320 CO 0.04 0.22 0.16 1.49 -1.51 0.00 0.00 179.97 180.37 1ggj h GLU 321 N 0.35 0.33 -0.00 0.20 4.22 -0.67 0.13 114.58 119.13 1ggj h GLU 321 Ca 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 1ggj h GLU 321 Cb 0.02 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ggj h GLU 321 CO -0.07 0.22 0.00 1.25 -2.18 0.00 0.00 179.01 178.23 1ggj h LEU 322 N 0.34 0.00 -0.75 1.64 5.85 -1.05 -1.72 115.31 119.62 1ggj h LEU 322 Ca 0.17 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1ggj h LEU 322 Cb 0.13 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1ggj h LEU 322 CO -0.16 0.04 0.33 -0.25 -0.34 0.00 0.00 178.44 178.07 1ggj h TRP 323 N -0.04 1.11 -0.00 1.25 2.91 -0.93 -2.99 115.95 117.27 1ggj h TRP 323 Ca 0.00 -0.07 -0.17 0.00 1.13 0.00 0.00 58.89 59.78 1ggj h TRP 323 Cb 0.04 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 28.33 1ggj h TRP 323 CO -0.07 0.83 -0.80 0.93 -1.03 0.00 0.00 178.44 178.30 1ggj h GLU 324 N 1.07 0.04 -0.41 2.65 5.08 -0.65 -2.37 114.58 119.99 1ggj h GLU 324 Ca 0.25 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1ggj h GLU 324 Cb 0.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1ggj h GLU 324 CO -0.03 0.82 0.12 0.00 -1.00 0.00 0.00 179.01 178.92 1ggj h ALA 325 N 1.16 0.54 -0.49 3.43 0.00 -1.26 0.05 119.26 122.69 1ggj h ALA 325 Ca -0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1ggj h ALA 325 Cb 1.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1ggj h ALA 325 CO 0.11 0.19 0.05 0.82 0.00 0.00 0.00 179.25 180.42 1ggj h ILE 326 N 0.52 1.23 -0.05 0.00 2.04 -1.47 0.18 117.51 119.96 1ggj h ILE 326 Ca 0.13 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 1ggj h ILE 326 Cb 0.28 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1ggj h ILE 326 CO -0.00 0.33 -0.49 -0.33 0.00 0.00 0.00 178.15 177.65 1ggj h GLU 327 N 0.74 0.12 0.00 2.37 5.08 -1.10 -2.80 114.58 118.98 1ggj h GLU 327 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ggj h GLU 327 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ggj h GLU 327 CO 0.01 0.59 0.00 0.00 -1.00 0.00 0.00 179.01 178.61 1ggj h ALA 328 N 1.40 1.00 0.00 3.43 0.00 -0.49 -2.50 119.26 122.10 1ggj h ALA 328 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ggj h ALA 328 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ggj h ALA 328 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1ggj n GLY 329 N 1.01 0.68 2.22 0.00 0.00 -0.73 -4.51 105.19 103.86 1ggj n GLY 329 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 6.37 -4.68 1.61 10.43 0.54 -4.98 116.55 125.83 1ggj n ASP 330 Ca 0.00 -2.75 -0.45 0.00 2.57 0.00 0.00 54.79 54.16 1ggj n ASP 330 Cb 0.00 -1.39 -0.04 0.00 1.84 0.00 0.00 41.12 41.54 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 2.15 2.43 -1.69 1.24 0.99 -1.26 -4.40 117.46 116.94 1ggj n PHE 331 Ca 0.52 0.18 -0.44 0.00 -0.00 0.00 0.00 57.45 57.71 1ggj n PHE 331 Cb 0.65 -2.59 -0.03 0.00 -1.00 0.00 0.00 39.48 36.51 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 3.69 2.61 -5.01 -1.08 -0.02 -1.25 -4.80 135.00 129.15 1ggj n PRO 332 Ca 0.17 0.95 -0.29 0.00 -2.02 0.00 0.00 63.50 62.31 1ggj n PRO 332 Cb 0.31 -2.82 -0.16 0.00 -0.02 0.00 0.00 33.50 30.81 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 2.59 2.28 0.01 -0.52 2.02 -1.26 -1.46 118.70 122.36 1ggj s GLU 333 Ca 0.83 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 55.12 1ggj s GLU 333 Cb -0.54 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 1ggj s GLU 333 CO 0.39 0.23 -0.09 0.71 0.02 0.00 0.00 175.26 176.53 1ggj s TYR 334 N 0.15 0.76 -0.29 1.61 2.02 0.34 -1.43 117.35 120.51 1ggj s TYR 334 Ca -0.09 -0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.30 1ggj s TYR 334 Cb -0.14 -0.48 -0.01 0.00 -0.40 0.00 0.00 41.96 40.93 1ggj s TYR 334 CO 0.04 -0.02 0.12 -2.00 -1.57 0.00 0.00 175.55 172.13 1ggj s GLU 335 N -0.56 3.42 0.22 -0.62 2.12 0.64 -0.36 118.70 123.56 1ggj s GLU 335 Ca 0.01 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 1ggj s GLU 335 Cb -0.05 -3.46 -0.09 0.00 0.26 0.00 0.00 34.13 30.79 1ggj s GLU 335 CO 0.00 -0.34 1.34 -1.17 -0.54 0.00 0.00 175.26 174.55 1ggj s LEU 336 N 1.60 4.41 0.02 2.70 2.96 0.35 -1.07 118.68 129.65 1ggj s LEU 336 Ca 0.05 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 1ggj s LEU 336 Cb -0.16 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 1ggj s LEU 336 CO 0.05 -0.57 -0.03 -0.83 -1.32 0.00 0.00 176.35 173.65 1ggj s GLY 337 N 0.28 0.20 -0.06 7.98 0.00 0.14 -0.12 107.32 115.74 1ggj s GLY 337 Ca 0.57 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 44.90 1ggj s GLY 337 CO 0.40 -0.49 -0.22 -1.36 0.00 0.00 0.00 173.10 171.44 1ggj s PHE 338 N -1.03 2.19 -0.31 1.90 2.99 -0.26 0.69 117.98 124.16 1ggj s PHE 338 Ca -0.11 -0.70 -0.11 0.00 0.00 0.00 0.00 56.93 56.01 1ggj s PHE 338 Cb -0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 43.02 41.46 1ggj s PHE 338 CO -0.01 -0.24 0.20 -0.65 -0.00 0.00 0.00 175.22 174.53 1ggj s GLN 339 N 0.01 3.67 -0.12 0.44 -0.21 -0.49 0.16 119.66 123.13 1ggj s GLN 339 Ca -0.07 -0.51 -0.00 0.00 0.02 0.00 0.00 55.36 54.81 1ggj s GLN 339 Cb -0.14 -3.69 -0.02 0.00 1.00 0.00 0.00 33.01 30.17 1ggj s GLN 339 CO 0.04 -0.32 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.27 1ggj s LEU 340 N 1.72 2.83 -0.10 2.90 1.43 -1.26 -1.28 118.68 124.92 1ggj s LEU 340 Ca 0.06 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1ggj s LEU 340 Cb -0.17 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.44 1ggj s LEU 340 CO 0.10 0.21 -0.07 -0.63 0.23 0.00 0.00 176.35 176.19 1ggj s ILE 341 N 0.10 0.93 0.61 -0.59 1.09 -0.96 -4.94 121.20 117.44 1ggj s ILE 341 Ca -0.05 -0.25 -0.19 0.00 -1.10 0.00 0.00 60.65 59.06 1ggj s ILE 341 Cb -0.14 -0.95 -0.03 0.00 -1.06 0.00 0.00 42.46 40.27 1ggj s ILE 341 CO 0.04 0.34 1.13 -2.65 -0.10 0.00 0.00 174.94 173.71 1ggj n PRO 342 N 4.76 1.06 -0.17 2.79 -0.02 -1.26 -1.22 135.00 140.93 1ggj n PRO 342 Ca -0.14 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 61.77 1ggj n PRO 342 Cb 0.50 -2.35 0.29 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.59 0.88 0.00 -0.52 4.81 -1.96 -0.77 114.58 117.62 1ggj h GLU 343 Ca -0.50 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1ggj h GLU 343 Cb 1.35 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1ggj h GLU 343 CO 0.52 0.58 0.00 -0.85 -0.73 0.00 0.00 179.01 178.54 1ggj n GLU 344 N -4.44 0.03 -0.50 1.92 0.00 -1.26 -2.34 120.64 114.05 1ggj n GLU 344 Ca 0.08 0.23 0.07 0.00 0.00 0.00 0.00 57.16 57.53 1ggj n GLU 344 Cb 0.06 -1.55 0.29 0.00 0.00 0.00 0.00 31.44 30.24 1ggj n GLU 344 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ggj n ASP 345 N -1.59 3.92 -0.30 -1.84 9.92 -0.29 -4.63 116.55 121.73 1ggj n ASP 345 Ca 0.04 -2.37 0.04 0.00 -0.53 0.00 0.00 54.79 51.97 1ggj n ASP 345 Cb 0.21 -0.52 0.18 0.00 -0.64 0.00 0.00 41.12 40.35 1ggj n ASP 345 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ggj h GLU 346 N 3.25 0.77 -0.81 -1.24 4.81 -1.56 -2.27 114.58 117.54 1ggj h GLU 346 Ca 0.00 -0.05 -0.47 0.00 -0.13 0.00 0.00 59.36 58.71 1ggj h GLU 346 Cb 1.23 -0.17 -0.26 0.00 0.63 0.00 0.00 28.75 30.17 1ggj h GLU 346 CO 0.20 0.51 0.39 1.19 -0.73 0.00 0.00 179.01 180.57 1ggj n PHE 347 N -4.74 2.55 1.14 0.92 3.01 -1.26 -4.52 117.46 114.55 1ggj n PHE 347 Ca 0.14 -2.10 0.12 0.00 1.01 0.00 0.00 57.45 56.63 1ggj n PHE 347 Cb 0.30 -0.90 0.20 0.00 -0.01 0.00 0.00 39.48 39.08 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 -1.06 1.04 -3.19 -1.08 5.02 -0.85 -4.95 118.16 113.10 1ggj n LYS 348 Ca 0.52 -0.75 -0.18 0.00 -2.02 0.00 0.00 58.31 55.88 1ggj n LYS 348 Cb 1.21 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 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 -2.47 2.94 -0.82 2.13 0.40 -1.26 -5.02 117.98 113.88 1ggj s PHE 349 Ca 0.22 -0.32 0.25 0.00 -0.60 0.00 0.00 56.93 56.48 1ggj s PHE 349 Cb 0.19 -2.23 0.95 0.00 0.51 0.00 0.00 43.02 42.45 1ggj s PHE 349 CO 0.54 -0.26 1.77 -0.25 0.70 0.00 0.00 175.22 177.73 1ggj n ASP 350 N -1.77 0.41 -4.46 1.36 10.43 -1.26 -4.82 116.55 116.44 1ggj n ASP 350 Ca 0.05 0.55 -0.23 0.00 2.57 0.00 0.00 54.79 57.74 1ggj n ASP 350 Cb 0.59 -0.66 -0.10 0.00 1.84 0.00 0.00 41.12 42.78 1ggj n ASP 350 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1ggj s PHE 351 N -3.09 2.08 0.01 1.24 -0.12 -1.26 -5.04 117.98 111.80 1ggj s PHE 351 Ca 0.10 -0.63 -0.26 0.00 -0.05 0.00 0.00 56.93 56.09 1ggj s PHE 351 Cb 0.14 -1.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.30 1ggj s PHE 351 CO 0.50 0.38 0.82 0.34 -0.05 0.00 0.00 175.22 177.20 1ggj s ASP 352 N -3.49 7.22 0.50 1.98 3.68 -1.26 -4.92 116.67 120.38 1ggj s ASP 352 Ca 0.30 1.47 0.20 0.00 2.13 0.00 0.00 52.55 56.65 1ggj s ASP 352 Cb 0.03 -2.49 1.29 0.00 -1.45 0.00 0.00 42.92 40.30 1ggj s ASP 352 CO 0.13 -0.09 2.08 -0.07 0.13 0.00 0.00 175.17 177.36 1ggj h LEU 353 N 6.20 0.00 -0.28 -1.34 3.38 -1.98 -2.38 115.31 118.91 1ggj h LEU 353 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 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 0.73 0.10 -0.07 0.18 0.09 0.00 0.00 178.44 179.47 1ggj n LEU 354 N -4.14 0.50 -4.61 1.67 4.77 -1.26 -4.42 117.00 109.52 1ggj n LEU 354 Ca -0.03 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 1ggj n LEU 354 Cb 0.19 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1ggj n LEU 354 CO 0.33 0.09 0.65 -0.62 -1.33 0.00 0.00 177.39 176.51 1ggj s ASP 355 N -2.34 6.68 0.00 -1.43 3.68 -0.90 -4.31 116.67 118.05 1ggj s ASP 355 Ca 0.33 0.64 0.25 0.00 2.13 0.00 0.00 52.55 55.91 1ggj s ASP 355 Cb 0.20 -2.43 1.33 0.00 -1.45 0.00 0.00 42.92 40.58 1ggj s ASP 355 CO 0.44 -0.69 1.86 -0.81 0.13 0.00 0.00 175.17 176.09 1ggj n PRO 356 N 6.38 0.46 0.00 4.34 -0.04 -1.26 -2.34 135.00 142.55 1ggj n PRO 356 Ca 0.05 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 1ggj n PRO 356 Cb 0.48 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.22 0.00 -4.70 0.52 -2.24 -1.26 -0.76 114.28 104.63 1ggj n THR 357 Ca 0.14 -0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 1ggj n THR 357 Cb 0.17 0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.26 3.16 0.23 -0.78 -0.14 -0.99 -4.83 119.74 114.14 1ggj s LYS 358 Ca 0.27 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.32 1ggj s LYS 358 Cb 0.20 -2.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.68 1ggj s LYS 358 CO 0.44 0.38 0.23 -0.48 -0.76 0.00 0.00 175.35 175.16 1ggj s LEU 359 N -0.06 3.97 -0.47 3.17 0.05 -1.26 -4.82 118.68 119.26 1ggj s LEU 359 Ca -0.01 -0.13 -0.12 0.00 0.05 0.00 0.00 54.13 53.92 1ggj s LEU 359 Cb -0.14 -2.52 0.09 0.00 -2.05 0.00 0.00 46.19 41.58 1ggj s LEU 359 CO 0.03 -0.03 0.36 -0.63 -0.55 0.00 0.00 176.35 175.54 1ggj s ILE 360 N -2.02 4.68 0.16 1.48 1.01 -1.26 -5.05 121.20 120.20 1ggj s ILE 360 Ca 0.33 -1.41 -0.34 0.00 0.00 0.00 0.00 60.65 59.24 1ggj s ILE 360 Cb -0.09 -3.91 -0.16 0.00 0.01 0.00 0.00 42.46 38.31 1ggj s ILE 360 CO 0.26 -0.65 1.23 -2.65 0.00 0.00 0.00 174.94 173.13 1ggj n PRO 361 N 5.05 1.24 0.28 2.79 -0.02 -1.26 -4.82 135.00 138.27 1ggj n PRO 361 Ca -0.11 0.44 0.17 0.00 -2.02 0.00 0.00 63.50 61.99 1ggj n PRO 361 Cb 0.42 -1.99 0.79 0.00 -0.02 0.00 0.00 33.50 32.70 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 3.74 0.00 0.00 -0.52 5.08 -1.97 -1.14 114.58 119.77 1ggj h GLU 362 Ca -0.44 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 1ggj h GLU 362 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1ggj h GLU 362 CO 0.73 0.04 -0.42 0.93 -1.00 0.00 0.00 179.01 179.28 1ggj h GLU 363 N 0.00 0.00 0.11 2.33 4.39 -1.96 -3.19 114.58 116.25 1ggj h GLU 363 Ca -0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1ggj h GLU 363 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1ggj h GLU 363 CO 0.01 0.42 -1.68 -0.07 -1.16 0.00 0.00 179.01 176.53 1ggj h LEU 364 N 0.00 0.36 -7.25 1.33 3.38 -1.60 -3.45 115.31 108.08 1ggj h LEU 364 Ca -0.00 -0.85 -0.57 0.00 0.09 0.00 0.00 57.88 56.54 1ggj h LEU 364 Cb 0.79 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 41.02 1ggj h LEU 364 CO 0.05 1.72 -0.76 -0.69 0.09 0.00 0.00 178.44 178.86 1ggj s VAL 365 N -2.50 0.89 0.58 1.22 1.01 -0.70 -5.08 120.40 115.82 1ggj s VAL 365 Ca -0.22 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1ggj s VAL 365 Cb 0.06 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1ggj s VAL 365 CO 0.75 -0.49 1.17 -2.16 0.00 0.00 0.00 175.10 174.37 1ggj s PRO 366 N 1.64 3.09 -0.32 2.72 0.04 -1.21 -4.19 135.00 136.76 1ggj s PRO 366 Ca 0.05 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1ggj s PRO 366 Cb -0.17 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1ggj s PRO 366 CO -0.18 -1.08 0.84 0.08 0.04 0.00 0.00 177.00 176.69 1ggj s VAL 367 N -1.73 4.72 -0.09 -0.36 1.01 -1.26 -4.36 120.40 118.33 1ggj s VAL 367 Ca 0.75 1.21 -0.25 0.00 0.00 0.00 0.00 61.98 63.69 1ggj s VAL 367 Cb -0.27 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1ggj s VAL 367 CO 0.31 -0.35 0.77 -1.58 0.00 0.00 0.00 175.10 174.26 1ggj s GLN 368 N 3.14 4.41 0.27 2.72 0.74 0.12 -4.83 119.66 126.23 1ggj s GLN 368 Ca 0.35 0.98 -0.29 0.00 0.05 0.00 0.00 55.36 56.44 1ggj s GLN 368 Cb -0.13 -3.49 -0.10 0.00 1.10 0.00 0.00 33.01 30.39 1ggj s GLN 368 CO 0.14 -0.06 1.22 -0.98 -0.55 0.00 0.00 175.29 175.06 1ggj s ARG 369 N 1.22 4.48 -0.05 1.67 1.70 -1.26 -1.10 118.95 125.60 1ggj s ARG 369 Ca 0.39 2.01 0.01 0.00 -0.47 0.00 0.00 55.73 57.67 1ggj s ARG 369 Cb -0.18 -3.15 -0.04 0.00 -0.57 0.00 0.00 34.95 31.01 1ggj s ARG 369 CO 0.18 -0.05 -0.04 0.28 -1.08 0.00 0.00 175.30 174.59 1ggj n VAL 370 N 1.46 0.32 -1.09 4.99 0.31 0.83 -4.90 118.33 120.25 1ggj n VAL 370 Ca 0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1ggj n VAL 370 Cb 0.43 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1ggj n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ggj n GLY 371 N 3.19 -1.24 3.28 2.92 0.00 -1.16 -0.86 105.19 111.32 1ggj n GLY 371 Ca -0.10 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1ggj n GLY 371 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggj s LYS 372 N -1.35 1.64 -0.08 1.61 2.20 0.03 -0.49 119.74 123.29 1ggj s LYS 372 Ca 0.00 -0.95 0.04 0.00 -0.36 0.00 0.00 55.97 54.70 1ggj s LYS 372 Cb 0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.61 1ggj s LYS 372 CO 0.00 0.45 -0.20 1.41 -0.36 0.00 0.00 175.35 176.65 1ggj s MET 373 N -0.99 2.55 -0.10 4.03 -2.45 0.52 -1.19 119.30 121.67 1ggj s MET 373 Ca 0.09 -0.72 0.02 0.00 -1.25 0.00 0.00 55.69 53.82 1ggj s MET 373 Cb -0.09 -1.98 0.02 0.00 1.25 0.00 0.00 34.83 34.03 1ggj s MET 373 CO 0.01 0.14 -0.14 0.08 1.05 0.00 0.00 175.02 176.16 1ggj s VAL 374 N 0.41 1.40 -0.49 10.11 1.01 -0.52 -0.50 120.40 131.81 1ggj s VAL 374 Ca -0.16 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1ggj s VAL 374 Cb -0.17 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 34.97 1ggj s VAL 374 CO 0.07 0.42 0.61 -0.76 0.00 0.00 0.00 175.10 175.44 1ggj s LEU 375 N 1.00 4.89 -0.03 3.92 1.02 -0.53 -1.22 118.68 127.73 1ggj s LEU 375 Ca -0.07 -0.81 0.04 0.00 0.02 0.00 0.00 54.13 53.31 1ggj s LEU 375 Cb -0.15 -2.48 0.06 0.00 0.02 0.00 0.00 46.19 43.64 1ggj s LEU 375 CO -0.01 -0.85 0.98 -0.46 0.02 0.00 0.00 176.35 176.03 1ggj n ASN 376 N 6.13 1.80 -3.68 2.29 6.94 -0.60 -3.76 115.26 124.38 1ggj n ASN 376 Ca -0.06 -2.12 -0.10 0.00 -0.02 0.00 0.00 54.58 52.29 1ggj n ASN 376 Cb 0.46 -0.09 -0.10 0.00 -2.36 0.00 0.00 39.78 37.69 1ggj n ASN 376 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1ggj s ARG 377 N -1.25 0.50 0.60 -3.83 0.52 -0.96 -5.00 118.95 109.54 1ggj s ARG 377 Ca 0.07 0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 56.06 1ggj s ARG 377 Cb 0.06 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 1ggj s ARG 377 CO 0.01 -0.15 1.03 -0.80 0.02 0.00 0.00 175.30 175.40 1ggj s ASN 378 N 1.40 6.13 1.08 0.23 0.01 -1.26 0.21 114.94 122.74 1ggj s ASN 378 Ca -0.09 1.54 -0.14 0.00 -0.71 0.00 0.00 52.86 53.45 1ggj s ASN 378 Cb -0.07 -2.49 0.23 0.00 0.41 0.00 0.00 41.25 39.33 1ggj s ASN 378 CO -0.14 -0.94 1.09 -2.16 -1.51 0.00 0.00 177.10 173.44 1ggj s PRO 379 N -4.75 -0.25 -0.15 -0.60 0.04 -1.26 -3.73 135.00 124.29 1ggj s PRO 379 Ca 0.57 0.36 -0.18 0.00 0.04 0.00 0.00 61.00 61.79 1ggj s PRO 379 Cb -0.12 -1.67 -0.24 0.00 0.04 0.00 0.00 34.50 32.51 1ggj s PRO 379 CO 0.46 -3.15 0.42 -0.44 0.04 0.00 0.00 177.00 174.33 1ggj h ASP 380 N -2.19 0.20 -3.19 6.66 3.45 -1.96 -1.31 116.42 118.08 1ggj h ASP 380 Ca -0.53 -0.75 -0.54 0.00 0.43 0.00 0.00 57.03 55.65 1ggj h ASP 380 Cb 1.33 -0.07 -0.36 0.00 -0.56 0.00 0.00 39.33 39.67 1ggj h ASP 380 CO 0.51 1.54 -0.81 0.21 -1.57 0.00 0.00 179.24 179.12 1ggj s ASN 381 N -6.88 2.21 0.11 6.45 3.84 -1.26 -4.62 114.94 114.78 1ggj s ASN 381 Ca -0.24 -0.32 -0.25 0.00 0.21 0.00 0.00 52.86 52.26 1ggj s ASN 381 Cb 0.04 -0.88 -0.09 0.00 -0.55 0.00 0.00 41.25 39.78 1ggj s ASN 381 CO 0.69 -0.10 1.66 0.15 -2.79 0.00 0.00 177.10 176.72 1ggj h PHE 382 N 8.06 -0.49 0.22 0.43 3.57 -1.98 -2.19 116.94 124.56 1ggj h PHE 382 Ca -0.31 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.21 1ggj h PHE 382 Cb 1.14 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 1ggj h PHE 382 CO 0.48 -0.27 -0.27 0.35 -2.23 0.00 0.00 178.31 176.36 1ggj h PHE 383 N -0.35 -0.72 -0.37 0.41 3.04 -1.96 0.23 116.94 117.22 1ggj h PHE 383 Ca 0.03 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.03 1ggj h PHE 383 Cb 0.38 0.29 -0.04 0.00 2.56 0.00 0.00 35.95 39.14 1ggj h PHE 383 CO -0.19 -0.39 0.13 0.00 -2.02 0.00 0.00 178.31 175.84 1ggj h ALA 384 N 0.10 0.43 0.08 2.41 0.00 -1.96 -2.21 119.26 118.12 1ggj h ALA 384 Ca 0.00 0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.59 1ggj h ALA 384 Cb 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ggj h ALA 384 CO -0.09 -0.25 -2.09 0.39 0.00 0.00 0.00 179.25 177.21 1ggj n GLU 385 N -5.01 0.71 -0.01 0.00 1.02 -0.83 -4.32 120.64 112.20 1ggj n GLU 385 Ca 0.01 0.26 -0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1ggj n GLU 385 Cb 0.13 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 -0.09 0.00 -0.81 1.62 -0.73 -0.69 -3.26 115.58 111.62 1ggj h ASN 386 Ca -0.47 0.00 0.17 0.00 1.87 0.00 0.00 56.30 57.87 1ggj h ASN 386 Cb 1.92 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 40.40 1ggj h ASN 386 CO -0.01 0.05 0.32 -0.08 -0.37 0.00 0.00 177.43 177.35 1ggj h GLU 387 N -0.09 0.42 0.00 6.67 4.57 -1.28 -0.93 114.58 123.94 1ggj h GLU 387 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1ggj h GLU 387 Cb 0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1ggj h GLU 387 CO 0.00 0.27 0.00 1.04 -1.18 0.00 0.00 179.01 179.14 1ggj n GLN 388 N -5.02 0.10 -1.94 1.92 6.02 -0.84 -4.88 117.38 112.74 1ggj n GLN 388 Ca 0.17 0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.89 1ggj n GLN 388 Cb 0.49 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 30.10 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 -3.06 3.72 -0.30 -1.58 0.00 -0.36 -4.89 121.76 115.29 1ggj s ALA 389 Ca 0.11 1.39 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 1ggj s ALA 389 Cb 0.15 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1ggj s ALA 389 CO 0.49 -0.80 0.01 0.00 0.00 0.00 0.00 175.76 175.46 1ggj s ALA 390 N 0.49 2.84 -0.07 0.00 0.00 -1.26 -5.05 121.76 118.71 1ggj s ALA 390 Ca 0.65 -1.70 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 1ggj s ALA 390 Cb -0.44 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1ggj s ALA 390 CO 0.39 -1.20 -0.04 -0.06 0.00 0.00 0.00 175.76 174.85 1ggj s PHE 391 N 1.30 3.04 -0.22 0.00 0.08 -1.26 -4.99 117.98 115.92 1ggj s PHE 391 Ca -0.04 0.10 -0.10 0.00 0.12 0.00 0.00 56.93 57.00 1ggj s PHE 391 Cb -0.19 -1.74 0.08 0.00 -0.57 0.00 0.00 43.02 40.60 1ggj s PHE 391 CO -0.01 0.40 0.51 -1.58 -0.10 0.00 0.00 175.22 174.44 1ggj s HIS 392 N -0.86 -0.87 0.42 0.36 5.65 -1.26 -4.94 115.29 113.79 1ggj s HIS 392 Ca 0.13 1.70 0.38 0.00 0.25 0.00 0.00 55.06 57.52 1ggj s HIS 392 Cb -0.11 0.44 1.89 0.00 -1.18 0.00 0.00 32.58 33.62 1ggj s HIS 392 CO 0.02 -0.47 2.19 -1.00 -0.65 0.00 0.00 174.74 174.83 1ggj h PRO 393 N 7.46 0.00 0.00 2.88 0.13 -1.93 -0.81 132.00 139.74 1ggj h PRO 393 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1ggj h PRO 393 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ggj h PRO 393 CO 0.19 0.02 -0.10 0.78 -0.23 0.00 0.00 178.00 178.66 1ggj h GLY 394 N 0.89 0.00 -7.31 1.56 0.00 -1.89 -3.40 103.07 92.93 1ggj h GLY 394 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1ggj h GLY 394 CO 0.00 0.00 1.06 0.30 0.00 0.00 0.00 176.54 177.91 1ggj s HIS 395 N -3.88 2.05 0.37 5.60 3.76 -0.31 -4.94 115.29 117.94 1ggj s HIS 395 Ca -0.01 0.15 0.08 0.00 -0.15 0.00 0.00 55.06 55.13 1ggj s HIS 395 Cb 0.11 -4.21 -0.06 0.00 1.11 0.00 0.00 32.58 29.53 1ggj s HIS 395 CO 0.57 -1.66 0.04 0.96 -0.85 0.00 0.00 174.74 173.79 1ggj s ILE 396 N 8.91 2.35 0.31 0.60 -4.36 -1.26 -1.65 121.20 126.10 1ggj s ILE 396 Ca 0.64 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 59.15 1ggj s ILE 396 Cb -0.03 -2.87 -0.06 0.00 1.25 0.00 0.00 42.46 40.74 1ggj s ILE 396 CO 0.01 -0.11 -0.04 0.68 0.24 0.00 0.00 174.94 175.73 1ggj s VAL 397 N -2.59 1.69 0.15 8.37 -7.23 -1.26 -4.86 120.40 114.67 1ggj s VAL 397 Ca 0.36 -2.11 -0.34 0.00 -1.81 0.00 0.00 61.98 58.08 1ggj s VAL 397 Cb 0.04 -2.57 -0.14 0.00 0.56 0.00 0.00 36.38 34.26 1ggj s VAL 397 CO 0.19 -0.22 1.53 -2.65 -0.31 0.00 0.00 175.10 173.65 1ggj n PRO 398 N -0.66 1.98 0.00 4.82 -0.02 -1.26 -1.67 135.00 138.19 1ggj n PRO 398 Ca -0.05 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1ggj n PRO 398 Cb 0.64 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 3.23 1.11 3.33 -1.23 0.00 -1.26 -3.42 105.19 106.95 1ggj n GLY 399 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 2.50 0.18 0.99 1.43 -0.67 -0.90 118.68 122.21 1ggj s LEU 400 Ca 0.00 -1.06 -0.24 0.00 -1.03 0.00 0.00 54.13 51.80 1ggj s LEU 400 Cb 0.00 -0.55 0.05 0.00 0.03 0.00 0.00 46.19 45.72 1ggj s LEU 400 CO 0.00 -0.27 0.84 -0.62 0.23 0.00 0.00 176.35 176.54 1ggj s ASP 401 N -3.30 -0.26 0.54 2.29 3.68 0.08 -4.76 116.67 114.94 1ggj s ASP 401 Ca 0.23 -0.39 0.01 0.00 2.13 0.00 0.00 52.55 54.52 1ggj s ASP 401 Cb 0.01 0.56 0.08 0.00 -1.45 0.00 0.00 42.92 42.12 1ggj s ASP 401 CO 0.06 -1.02 0.54 0.49 0.13 0.00 0.00 175.17 175.38 1ggj n PHE 402 N -0.43 -3.05 -4.52 -5.34 3.01 -1.26 -0.50 117.46 105.36 1ggj n PHE 402 Ca -0.07 -1.02 -0.26 0.00 1.01 0.00 0.00 57.45 57.11 1ggj n PHE 402 Cb 0.61 -0.39 -0.08 0.00 -0.01 0.00 0.00 39.48 39.61 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 -1.54 0.51 -2.08 4.37 -4.23 -1.26 -4.37 115.64 107.05 1ggj s THR 403 Ca 0.37 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.08 1ggj s THR 403 Cb -0.02 -2.29 0.54 0.00 1.34 0.00 0.00 72.50 72.07 1ggj s THR 403 CO 0.24 0.00 1.71 0.59 -0.54 0.00 0.00 174.62 176.62 1ggj n ASN 404 N -1.44 0.45 -4.41 3.99 3.02 -1.26 -4.67 115.26 110.95 1ggj n ASN 404 Ca -0.06 -1.46 -0.62 0.00 -0.03 0.00 0.00 54.58 52.41 1ggj n ASN 404 Cb 0.65 -0.03 -0.09 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.50 0.78 0.22 6.41 -0.08 -1.26 -4.77 116.55 117.34 1ggj n ASP 405 Ca 0.15 1.11 0.15 0.00 -1.51 0.00 0.00 54.79 54.70 1ggj n ASP 405 Cb 0.14 -0.84 0.57 0.00 2.34 0.00 0.00 41.12 43.32 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 4.12 0.00 0.05 -0.67 0.13 -1.75 0.13 132.00 134.01 1ggj h PRO 406 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1ggj h PRO 406 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1ggj h PRO 406 CO 0.83 0.00 -0.30 1.25 -0.23 0.00 0.00 178.00 179.55 1ggj h LEU 407 N 0.00 0.16 -0.38 1.56 5.85 -1.81 -2.67 115.31 118.02 1ggj h LEU 407 Ca 0.00 -0.98 -0.00 0.00 0.84 0.00 0.00 57.88 57.74 1ggj h LEU 407 Cb 0.54 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1ggj h LEU 407 CO 0.00 1.14 0.22 0.25 -0.34 0.00 0.00 178.44 179.71 1ggj h LEU 408 N -0.79 0.47 -0.59 2.25 5.85 -1.85 -0.44 115.31 120.21 1ggj h LEU 408 Ca -0.05 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.71 1ggj h LEU 408 Cb 1.22 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 42.02 1ggj h LEU 408 CO 0.05 0.40 -0.30 1.56 -0.34 0.00 0.00 178.44 179.81 1ggj h GLN 409 N 0.50 -0.13 -0.04 1.25 1.08 -1.10 -1.59 115.11 115.08 1ggj h GLN 409 Ca 0.14 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.22 1ggj h GLN 409 Cb 0.02 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1ggj h GLN 409 CO -0.02 -0.09 -0.55 0.78 -0.95 0.00 0.00 178.83 178.00 1ggj h GLY 410 N -0.14 0.13 0.70 3.46 0.00 -1.51 -2.65 103.07 103.06 1ggj h GLY 410 Ca 0.24 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.51 1ggj h GLY 410 CO -0.67 0.14 0.62 3.21 0.00 0.00 0.00 176.54 179.84 1ggj h ARG 411 N 0.10 1.01 -0.67 4.80 3.08 -0.16 -2.29 114.38 120.24 1ggj h ARG 411 Ca -0.00 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.13 1ggj h ARG 411 Cb 1.00 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 1ggj h ARG 411 CO 0.08 0.67 0.46 -0.07 -1.07 0.00 0.00 179.97 180.03 1ggj h LEU 412 N 1.04 0.30 -0.05 3.04 3.38 -0.95 -2.11 115.31 119.96 1ggj h LEU 412 Ca 0.43 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.37 1ggj h LEU 412 Cb 0.31 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ggj h LEU 412 CO -0.19 0.16 -0.17 0.15 0.09 0.00 0.00 178.44 178.48 1ggj h PHE 413 N 0.33 0.27 -0.17 1.13 3.57 -1.55 -3.40 116.94 117.12 1ggj h PHE 413 Ca 0.33 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1ggj h PHE 413 Cb 0.82 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1ggj h PHE 413 CO -0.00 0.80 0.10 1.03 -2.23 0.00 0.00 178.31 178.01 1ggj h SER 414 N -0.33 0.20 0.65 0.41 0.87 -1.35 -3.07 113.55 110.93 1ggj h SER 414 Ca -0.01 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1ggj h SER 414 Cb 0.81 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1ggj h SER 414 CO 0.04 0.17 -0.04 1.88 -0.53 0.00 0.00 176.83 178.36 1ggj h TYR 415 N 0.20 0.00 0.01 2.24 0.05 -1.75 -0.91 116.97 116.80 1ggj h TYR 415 Ca 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1ggj h TYR 415 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1ggj h TYR 415 CO -0.06 0.04 -0.00 1.15 -1.05 0.00 0.00 178.16 178.24 1ggj h THR 416 N 0.00 1.51 -0.28 -2.88 2.02 -1.78 -3.38 112.91 108.12 1ggj h THR 416 Ca -0.00 -2.05 0.07 0.00 0.77 0.00 0.00 66.41 65.19 1ggj h THR 416 Cb 0.37 2.82 -0.07 0.00 -1.74 0.00 0.00 68.15 69.54 1ggj h THR 416 CO 0.00 0.50 -0.19 -0.78 0.37 0.00 0.00 175.52 175.43 1ggj h ASP 417 N -0.96 -0.62 -0.53 4.18 3.58 -1.39 -3.07 116.42 117.61 1ggj h ASP 417 Ca -0.00 0.13 0.06 0.00 0.42 0.00 0.00 57.03 57.64 1ggj h ASP 417 Cb 0.82 0.31 -0.03 0.00 1.72 0.00 0.00 39.33 42.16 1ggj h ASP 417 CO 0.00 -0.23 0.35 0.00 -2.88 0.00 0.00 179.24 176.49 1ggj h THR 418 N -0.17 0.97 0.00 2.25 1.03 -1.36 -2.24 112.91 113.40 1ggj h THR 418 Ca 0.15 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1ggj h THR 418 Cb 0.40 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 67.94 1ggj h THR 418 CO -0.38 0.08 0.00 0.00 -0.01 0.00 0.00 175.52 175.21 1ggj n GLN 419 N -4.47 0.13 -0.31 0.00 3.00 -1.16 -2.23 117.38 112.34 1ggj n GLN 419 Ca 0.07 0.29 0.01 0.00 -0.01 0.00 0.00 57.00 57.36 1ggj n GLN 419 Cb 0.26 -1.71 0.19 0.00 0.00 0.00 0.00 30.24 28.98 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 1.17 0.05 5.09 1.08 -1.53 0.34 117.51 123.71 1ggj h ILE 420 Ca 0.00 -0.40 -0.30 0.00 -0.39 0.00 0.00 64.86 63.78 1ggj h ILE 420 Cb 0.41 -0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 1ggj h ILE 420 CO 0.00 0.21 -1.62 -1.54 -0.69 0.00 0.00 178.15 174.51 1ggj n SER 421 N -4.43 1.98 -0.06 1.72 3.41 -1.15 -1.34 113.62 113.75 1ggj n SER 421 Ca 0.12 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1ggj n SER 421 Cb 0.09 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 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 -0.55 0.31 -0.41 4.33 2.43 -1.35 -3.05 114.38 116.10 1ggj h ARG 422 Ca -0.40 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1ggj h ARG 422 Cb 1.62 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 1ggj h ARG 422 CO -0.09 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 179.92 1ggj n LEU 423 N -4.88 4.64 0.00 3.80 4.77 0.12 -4.38 117.00 121.06 1ggj n LEU 423 Ca -0.03 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.02 1ggj n LEU 423 Cb 0.07 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1ggj n LEU 423 CO 0.34 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1ggj n GLY 424 N 0.04 0.29 0.00 -0.72 0.00 -1.15 -4.75 105.19 98.90 1ggj n GLY 424 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.27 -0.80 0.22 -0.02 0.00 -0.45 -4.79 105.19 98.08 1ggj n GLY 425 Ca 0.00 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.21 1.14 -0.94 1.61 -0.04 -1.26 -3.57 135.00 131.74 1ggj n PRO 426 Ca 0.00 -0.45 0.03 0.00 -0.04 0.00 0.00 63.50 63.04 1ggj n PRO 426 Cb 0.00 -1.49 0.37 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.54 5.44 0.31 3.54 3.02 -1.26 -4.57 115.26 121.20 1ggj n ASN 427 Ca 0.19 -3.02 0.18 0.00 -0.03 0.00 0.00 54.58 51.90 1ggj n ASN 427 Cb 0.26 -0.71 0.99 0.00 -0.61 0.00 0.00 39.78 39.71 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 3.56 0.00 0.00 3.10 -5.15 -1.85 -0.83 116.94 115.76 1ggj h PHE 428 Ca 0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.86 1ggj h PHE 428 Cb 2.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.27 1ggj h PHE 428 CO 1.16 0.02 0.00 -2.39 -2.00 0.00 0.00 178.31 175.11 1ggj n HIS 429 N -3.42 0.00 0.60 6.09 1.44 -1.26 -1.95 115.22 116.71 1ggj n HIS 429 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 1ggj n HIS 429 Cb 0.13 -0.47 0.08 0.00 0.12 0.00 0.00 29.99 29.84 1ggj n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1ggj n GLU 430 N -1.47 0.27 -1.76 -1.40 1.02 -0.32 -3.29 120.64 113.70 1ggj n GLU 430 Ca 0.03 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1ggj n GLU 430 Cb 0.13 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 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 -3.17 2.16 0.04 -3.67 1.01 -0.82 -4.82 121.20 111.93 1ggj s ILE 431 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 1ggj s ILE 431 Cb 0.14 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1ggj s ILE 431 CO 0.77 0.01 0.94 -2.65 0.00 0.00 0.00 174.94 174.01 1ggj n PRO 432 N 4.16 -0.12 -0.28 2.79 -0.02 -1.26 -0.55 135.00 139.73 1ggj n PRO 432 Ca 0.16 0.93 0.25 0.00 -2.02 0.00 0.00 63.50 62.82 1ggj n PRO 432 Cb 0.36 -1.39 0.59 0.00 -0.02 0.00 0.00 33.50 33.05 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 0.54 0.00 4.25 6.09 -1.90 -1.51 117.51 124.98 1ggj h ILE 433 Ca 0.04 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1ggj h ILE 433 Cb 0.11 0.27 0.00 0.00 0.47 0.00 0.00 36.82 37.67 1ggj h ILE 433 CO -0.26 0.05 -0.24 0.59 -3.07 0.00 0.00 178.15 175.21 1ggj n ASN 434 N -4.45 0.25 -4.71 2.19 3.02 0.29 -4.90 115.26 106.95 1ggj n ASN 434 Ca 0.23 0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 1ggj n ASN 434 Cb 0.92 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 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 -3.00 4.20 0.76 3.52 0.52 -0.57 -4.85 118.95 119.53 1ggj s ARG 435 Ca 0.13 2.38 -0.15 0.00 -0.52 0.00 0.00 55.73 57.57 1ggj s ARG 435 Cb 0.18 -3.33 0.04 0.00 0.52 0.00 0.00 34.95 32.36 1ggj s ARG 435 CO 0.61 -0.67 1.07 -2.30 0.02 0.00 0.00 175.30 174.03 1ggj n PRO 436 N 4.64 0.39 0.02 3.54 -0.02 -1.26 -4.92 135.00 137.38 1ggj n PRO 436 Ca 0.15 0.20 0.11 0.00 -2.02 0.00 0.00 63.50 61.94 1ggj n PRO 436 Cb 0.39 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1ggj n PRO 436 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ggj n THR 437 N -2.84 0.13 -2.59 3.45 -2.24 -1.26 -4.91 114.28 104.02 1ggj n THR 437 Ca 0.13 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 1ggj n THR 437 Cb 0.50 0.22 0.04 0.00 -2.10 0.00 0.00 70.33 68.99 1ggj n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ggj s PRO 439 N -4.82 4.21 -0.04 0.00 0.02 -1.26 -5.04 135.00 128.07 1ggj s PRO 439 Ca 0.58 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.75 1ggj s PRO 439 Cb -0.10 -2.94 0.03 0.00 0.02 0.00 0.00 34.50 31.51 1ggj s PRO 439 CO 0.39 -0.29 0.03 1.52 -0.33 0.00 0.00 177.00 178.32 1ggj s TYR 440 N -1.20 0.20 -0.06 6.54 1.13 -1.26 -4.98 117.35 117.72 1ggj s TYR 440 Ca 0.52 0.11 -0.03 0.00 -1.41 0.00 0.00 57.07 56.26 1ggj s TYR 440 Cb -0.38 -0.47 0.03 0.00 -1.10 0.00 0.00 41.96 40.04 1ggj s TYR 440 CO 0.50 -0.18 0.14 -1.01 -2.51 0.00 0.00 175.55 172.49 1ggj s HIS 441 N 1.69 -0.15 0.00 -3.49 3.76 -1.26 -5.16 115.29 110.67 1ggj s HIS 441 Ca -0.01 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 1ggj s HIS 441 Cb -0.13 -0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.52 1ggj s HIS 441 CO -0.03 -0.14 0.00 0.27 -0.85 0.00 0.00 174.74 173.99 1ggj n ASN 442 N 3.87 0.00 -0.92 1.40 0.23 -1.26 -4.93 115.26 113.65 1ggj n ASN 442 Ca -0.23 -0.58 0.07 0.00 -0.53 0.00 0.00 54.58 53.31 1ggj n ASN 442 Cb 0.54 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.47 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 0.84 -2.81 -2.53 3.01 -1.26 -4.89 117.46 109.82 1ggj n PHE 443 Ca 0.00 -0.66 -0.40 0.00 1.01 0.00 0.00 57.45 57.40 1ggj n PHE 443 Cb 0.00 -0.18 -0.06 0.00 -0.01 0.00 0.00 39.48 39.23 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 -1.84 4.79 0.19 -1.08 -0.21 -1.26 -4.64 119.66 115.61 1ggj s GLN 444 Ca 0.36 1.41 -0.00 0.00 0.02 0.00 0.00 55.36 57.14 1ggj s GLN 444 Cb 0.24 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 1ggj s GLN 444 CO 0.15 0.53 0.09 1.03 -2.12 0.00 0.00 175.29 174.97 1ggj s ARG 445 N -1.17 1.17 3.66 2.91 1.81 -1.26 -5.08 118.95 121.00 1ggj s ARG 445 Ca 0.40 -1.60 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 1ggj s ARG 445 Cb -0.25 0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.32 1ggj s ARG 445 CO 0.31 -0.30 0.00 -0.25 -0.68 0.00 0.00 175.30 174.37 1ggj n ASP 446 N -0.27 -0.27 0.00 0.23 9.92 -1.26 -5.06 116.55 119.84 1ggj n ASP 446 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1ggj n ASP 446 Cb 0.65 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 1ggj n ASP 446 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ggj n GLY 447 N 0.00 0.96 3.77 0.44 0.00 -1.26 -4.65 105.19 104.45 1ggj n GLY 447 Ca 0.00 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1ggj n GLY 447 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggj s MET 448 N -3.59 3.78 -1.33 1.61 1.75 -1.26 -2.90 119.30 117.36 1ggj s MET 448 Ca 0.00 2.46 -0.05 0.00 -1.25 0.00 0.00 55.69 56.84 1ggj s MET 448 Cb 0.00 -2.73 -0.00 0.00 2.84 0.00 0.00 34.83 34.94 1ggj s MET 448 CO 0.00 -0.76 0.54 1.58 -0.65 0.00 0.00 175.02 175.74 1ggj n HIS 449 N -0.05 -1.74 -2.17 4.11 -0.00 -1.26 -4.55 115.22 109.56 1ggj n HIS 449 Ca 0.04 0.68 -0.43 0.00 -0.00 0.00 0.00 57.72 58.02 1ggj n HIS 449 Cb 0.41 -3.76 -0.02 0.00 -0.00 0.00 0.00 29.99 26.62 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 -6.36 4.12 -0.20 1.57 6.06 -1.14 -4.89 118.95 118.11 1ggj s ARG 450 Ca 0.11 1.90 -0.22 0.00 -2.50 0.00 0.00 55.73 55.03 1ggj s ARG 450 Cb -0.04 -3.92 -0.20 0.00 0.06 0.00 0.00 34.95 30.85 1ggj s ARG 450 CO 0.87 -0.89 0.26 0.52 -2.50 0.00 0.00 175.30 173.57 1ggj h MET 451 N 9.33 0.00 -6.66 5.12 2.86 -1.92 -3.47 114.93 120.18 1ggj h MET 451 Ca -0.34 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.78 1ggj h MET 451 Cb 1.15 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.85 1ggj h MET 451 CO 0.97 0.99 0.74 0.20 1.06 0.00 0.00 176.91 180.87 1ggj s GLY 452 N -4.79 2.16 -0.47 8.32 0.00 -1.26 -4.97 107.32 106.31 1ggj s GLY 452 Ca -0.28 1.23 -0.12 0.00 0.00 0.00 0.00 44.72 45.55 1ggj s GLY 452 CO 0.60 2.29 0.36 -0.42 0.00 0.00 0.00 173.10 175.93 1ggj s ILE 453 N 0.45 4.59 0.12 0.90 1.01 -1.26 -4.96 121.20 122.04 1ggj s ILE 453 Ca 0.61 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 1ggj s ILE 453 Cb -0.40 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 1ggj s ILE 453 CO 0.37 -0.69 1.07 -1.81 0.00 0.00 0.00 174.94 173.88 1ggj s ASP 454 N 2.71 7.30 0.00 3.58 1.11 -1.26 -4.93 116.67 125.18 1ggj s ASP 454 Ca 0.04 1.96 0.16 0.00 0.18 0.00 0.00 52.55 54.88 1ggj s ASP 454 Cb -0.26 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.13 1ggj s ASP 454 CO 0.02 -0.23 0.83 0.35 1.18 0.00 0.00 175.17 177.32 1ggj n THR 455 N 2.91 0.00 -1.67 -1.27 -2.24 -1.26 -4.97 114.28 105.78 1ggj n THR 455 Ca 0.04 -0.33 -0.47 0.00 -2.27 0.00 0.00 64.05 61.02 1ggj n THR 455 Cb 0.47 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.18 3.15 -0.09 3.42 2.85 -1.26 -4.83 115.26 118.32 1ggj n ASN 456 Ca 0.06 1.05 0.16 0.00 -0.11 0.00 0.00 54.58 55.74 1ggj n ASN 456 Cb 0.33 -1.40 0.56 0.00 1.24 0.00 0.00 39.78 40.51 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 6.99 0.28 -5.90 1.20 0.11 -1.93 -3.41 132.00 129.35 1ggj h PRO 457 Ca -0.46 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 64.97 1ggj h PRO 457 Cb 1.26 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 1ggj h PRO 457 CO 0.90 0.18 -0.56 0.00 -0.21 0.00 0.00 178.00 178.31 1ggj s ALA 458 N -5.28 3.58 -0.19 -0.75 0.00 -1.26 -4.99 121.76 112.87 1ggj s ALA 458 Ca -0.07 -0.79 0.14 0.00 0.00 0.00 0.00 51.96 51.24 1ggj s ALA 458 Cb 0.20 -1.65 0.40 0.00 0.00 0.00 0.00 23.12 22.07 1ggj s ALA 458 CO 0.75 0.64 1.26 0.27 0.00 0.00 0.00 175.76 178.68 1ggj n ASN 459 N 1.67 2.35 -3.85 0.00 2.04 -1.26 -4.99 115.26 111.21 1ggj n ASN 459 Ca -0.16 -3.47 -0.09 0.00 -0.44 0.00 0.00 54.58 50.41 1ggj n ASN 459 Cb 0.54 -0.51 -0.06 0.00 -2.53 0.00 0.00 39.78 37.21 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 -3.05 0.16 -0.04 -2.53 -0.85 -1.26 -4.76 117.35 105.01 1ggj s TYR 460 Ca 0.37 -0.53 -0.08 0.00 -0.52 0.00 0.00 57.07 56.32 1ggj s TYR 460 Cb 0.34 0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.77 1ggj s TYR 460 CO -0.00 -0.72 0.19 -1.83 -1.52 0.00 0.00 175.55 171.66 1ggj s GLU 461 N -3.90 0.37 0.50 -3.49 4.04 -1.26 -4.13 118.70 110.83 1ggj s GLU 461 Ca 0.11 -0.03 -0.20 0.00 0.04 0.00 0.00 54.97 54.89 1ggj s GLU 461 Cb 0.03 0.17 -0.08 0.00 0.02 0.00 0.00 34.13 34.26 1ggj s GLU 461 CO -0.04 -0.08 1.05 -1.25 -1.84 0.00 0.00 175.26 173.10 1ggj s PRO 462 N -0.61 3.72 0.02 -4.83 0.04 -1.26 -5.19 135.00 126.88 1ggj s PRO 462 Ca -0.07 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1ggj s PRO 462 Cb -0.04 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1ggj s PRO 462 CO 0.01 -0.50 -0.03 0.54 0.04 0.00 0.00 177.00 177.06 1ggj s ASN 463 N -2.01 0.26 -0.02 6.66 2.20 -1.26 -5.03 114.94 115.73 1ggj s ASN 463 Ca 0.68 -0.40 0.16 0.00 -0.94 0.00 0.00 52.86 52.37 1ggj s ASN 463 Cb -0.17 0.07 -0.25 0.00 -2.00 0.00 0.00 41.25 38.90 1ggj s ASN 463 CO 0.22 -0.22 0.39 -1.54 -2.94 0.00 0.00 177.10 173.00 1ggj n SER 464 N 1.91 1.20 0.23 3.54 3.41 -1.26 -1.07 113.62 121.58 1ggj n SER 464 Ca -0.21 -0.07 0.16 0.00 -0.26 0.00 0.00 58.87 58.48 1ggj n SER 464 Cb 0.56 1.69 0.64 0.00 -0.26 0.00 0.00 64.21 66.84 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 0.00 0.00 -1.33 3.07 -1.98 -1.88 117.51 115.38 1ggj h ILE 465 Ca 0.00 -0.39 -0.03 0.00 1.55 0.00 0.00 64.86 65.99 1ggj h ILE 465 Cb 0.72 1.29 -0.06 0.00 -0.27 0.00 0.00 36.82 38.51 1ggj h ILE 465 CO 0.00 0.00 -0.39 -3.20 -1.05 0.00 0.00 178.15 173.51 1ggj n ASN 466 N -2.79 1.49 -3.87 2.16 5.15 -1.26 -4.87 115.26 111.28 1ggj n ASN 466 Ca 0.01 -2.92 -0.30 0.00 -0.60 0.00 0.00 54.58 50.76 1ggj n ASN 466 Cb 0.27 -0.39 0.01 0.00 -0.53 0.00 0.00 39.78 39.14 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 -0.77 -4.53 -0.98 1.20 2.03 -0.71 -1.69 116.55 111.09 1ggj n ASP 467 Ca 0.12 -0.75 -0.13 0.00 0.52 0.00 0.00 54.79 54.55 1ggj n ASP 467 Cb 0.74 -3.64 -0.06 0.00 -0.72 0.00 0.00 41.12 37.44 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 -2.72 -4.71 -4.87 1.67 5.15 -0.23 -4.98 115.26 104.56 1ggj n ASN 468 Ca 0.04 0.32 -0.34 0.00 -0.60 0.00 0.00 54.58 54.00 1ggj n ASN 468 Cb 0.52 -3.35 -0.05 0.00 -0.53 0.00 0.00 39.78 36.37 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 -2.42 3.55 0.40 1.20 0.52 -0.68 -3.66 118.94 117.85 1ggj s TRP 469 Ca 0.00 0.81 -0.25 0.00 0.02 0.00 0.00 56.10 56.68 1ggj s TRP 469 Cb 0.00 -2.18 -0.09 0.00 -1.15 0.00 0.00 33.47 30.05 1ggj s TRP 469 CO 0.00 0.47 1.10 -1.25 0.02 0.00 0.00 176.95 177.29 1ggj s PRO 470 N -2.11 4.12 0.07 4.98 0.04 -1.26 -4.89 135.00 135.95 1ggj s PRO 470 Ca 0.36 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1ggj s PRO 470 Cb -0.14 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1ggj s PRO 470 CO 0.19 -0.22 0.19 1.03 0.04 0.00 0.00 177.00 178.24 1ggj s ARG 471 N -2.37 3.33 0.82 4.56 0.52 -1.24 -5.03 118.95 119.54 1ggj s ARG 471 Ca 0.57 -0.50 -0.13 0.00 -0.52 0.00 0.00 55.73 55.15 1ggj s ARG 471 Cb -0.26 -2.98 0.09 0.00 0.52 0.00 0.00 34.95 32.32 1ggj s ARG 471 CO 0.33 0.60 1.20 -1.21 0.02 0.00 0.00 175.30 176.23 1ggj s GLU 472 N -2.53 1.57 -0.08 3.54 2.02 -1.26 -5.03 118.70 116.92 1ggj s GLU 472 Ca 0.34 1.74 -0.00 0.00 0.02 0.00 0.00 54.97 57.07 1ggj s GLU 472 Cb -0.13 -1.77 0.02 0.00 0.10 0.00 0.00 34.13 32.36 1ggj s GLU 472 CO 0.27 -2.27 -0.05 0.99 0.02 0.00 0.00 175.26 174.23 1ggj s THR 473 N -2.20 0.73 0.56 3.63 2.01 -1.26 -5.07 115.64 114.04 1ggj s THR 473 Ca 0.73 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 62.38 1ggj s THR 473 Cb -0.28 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 1ggj s THR 473 CO 0.51 0.31 1.20 -2.65 -0.69 0.00 0.00 174.62 173.30 1ggj n PRO 474 N 4.77 1.37 -1.82 4.92 -0.02 -1.26 -1.20 135.00 141.75 1ggj n PRO 474 Ca -0.14 0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 1ggj n PRO 474 Cb 0.50 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 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 -2.81 2.85 0.32 0.52 0.04 -1.25 -1.53 135.00 133.13 1ggj s PRO 475 Ca 0.73 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 63.67 1ggj s PRO 475 Cb -0.43 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.17 1ggj s PRO 475 CO 0.48 -1.37 0.89 0.20 0.04 0.00 0.00 177.00 177.24 1ggj s GLY 476 N -1.28 0.32 0.38 0.56 0.00 -1.26 -4.77 107.32 101.27 1ggj s GLY 476 Ca 0.78 -0.64 0.06 0.00 0.00 0.00 0.00 44.72 44.91 1ggj s GLY 476 CO 0.41 0.79 1.99 -2.55 0.00 0.00 0.00 173.10 173.75 1ggj h PRO 477 N 2.00 0.56 -3.22 2.90 0.11 -1.95 -3.39 132.00 129.00 1ggj h PRO 477 Ca -0.31 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.56 1ggj h PRO 477 Cb 1.24 -0.11 -0.26 0.00 0.11 0.00 0.00 31.00 31.97 1ggj h PRO 477 CO 0.40 0.44 -0.48 -1.59 -0.21 0.00 0.00 178.00 176.56 1ggj s LYS 478 N -5.34 0.23 -1.45 1.05 0.00 -1.26 -4.82 119.74 108.17 1ggj s LYS 478 Ca -0.08 0.30 -0.02 0.00 0.00 0.00 0.00 55.97 56.17 1ggj s LYS 478 Cb 0.17 0.10 0.01 0.00 0.00 0.00 0.00 37.83 38.10 1ggj s LYS 478 CO 0.74 -0.04 0.17 0.54 0.00 0.00 0.00 175.35 176.76 1ggj n ARG 479 N 3.08 -2.67 -2.92 1.78 5.12 -1.26 -4.98 116.66 114.81 1ggj n ARG 479 Ca -0.14 0.80 -0.19 0.00 -1.93 0.00 0.00 57.85 56.39 1ggj n ARG 479 Cb 0.58 -5.49 0.05 0.00 -1.16 0.00 0.00 32.46 26.44 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 1.82 0.71 -0.13 0.00 -1.26 -4.92 107.32 101.30 1ggj s GLY 480 Ca 0.10 -1.83 -0.11 0.00 0.00 0.00 0.00 44.72 42.88 1ggj s GLY 480 CO 0.12 -1.47 1.07 -0.32 0.00 0.00 0.00 173.10 172.50 1ggj s GLY 481 N -4.54 1.66 0.08 0.20 0.00 -0.34 -4.75 107.32 99.62 1ggj s GLY 481 Ca 0.60 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 45.08 1ggj s GLY 481 CO 0.38 0.39 1.02 -0.12 0.00 0.00 0.00 173.10 174.77 1ggj s PHE 482 N -3.05 3.68 -0.05 1.90 5.36 -1.26 -3.94 117.98 120.62 1ggj s PHE 482 Ca 0.59 1.67 -0.01 0.00 -0.96 0.00 0.00 56.93 58.22 1ggj s PHE 482 Cb -0.14 -3.16 0.03 0.00 -0.34 0.00 0.00 43.02 39.41 1ggj s PHE 482 CO 0.55 -0.19 0.02 -2.00 -1.46 0.00 0.00 175.22 172.14 1ggj s GLU 483 N 0.38 0.36 0.58 10.12 2.12 -1.26 -4.95 118.70 126.05 1ggj s GLU 483 Ca 0.50 0.17 -0.19 0.00 0.36 0.00 0.00 54.97 55.81 1ggj s GLU 483 Cb -0.24 -0.73 -0.04 0.00 0.26 0.00 0.00 34.13 33.38 1ggj s GLU 483 CO 0.30 -0.26 1.22 -1.12 -0.54 0.00 0.00 175.26 174.86 1ggj s SER 484 N 1.76 5.27 0.15 -1.70 0.01 -1.26 -4.95 113.70 112.98 1ggj s SER 484 Ca 0.01 2.43 -0.31 0.00 1.31 0.00 0.00 55.95 59.38 1ggj s SER 484 Cb -0.13 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.41 1ggj s SER 484 CO -0.04 -1.54 1.55 -0.47 0.41 0.00 0.00 173.24 173.15 1ggj s TYR 485 N -1.55 3.02 -1.27 2.43 5.04 -1.26 -4.85 117.35 118.90 1ggj s TYR 485 Ca 0.76 0.64 -0.10 0.00 -2.44 0.00 0.00 57.07 55.93 1ggj s TYR 485 Cb -0.31 -3.89 -0.07 0.00 0.35 0.00 0.00 41.96 38.03 1ggj s TYR 485 CO 0.35 -3.31 2.48 1.04 -1.34 0.00 0.00 175.55 174.76 1ggj n GLN 486 N 4.16 2.82 -1.96 4.97 6.02 -1.26 -4.94 117.38 127.19 1ggj n GLN 486 Ca 0.14 -1.94 -0.38 0.00 -0.01 0.00 0.00 57.00 54.81 1ggj n GLN 486 Cb 0.39 -2.73 0.02 0.00 1.02 0.00 0.00 30.24 28.94 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 2.99 3.50 -0.18 -1.09 2.12 -1.26 -4.95 118.70 119.83 1ggj s GLU 487 Ca 0.55 2.11 -0.29 0.00 0.36 0.00 0.00 54.97 57.70 1ggj s GLU 487 Cb 0.14 -2.42 -0.01 0.00 0.26 0.00 0.00 34.13 32.11 1ggj s GLU 487 CO -0.04 -0.86 1.19 0.50 -0.54 0.00 0.00 175.26 175.51 1ggj s ARG 488 N -2.70 4.25 -0.08 4.30 6.06 -1.26 -5.03 118.95 124.49 1ggj s ARG 488 Ca 0.66 1.56 0.02 0.00 -2.50 0.00 0.00 55.73 55.47 1ggj s ARG 488 Cb -0.37 -3.72 -0.02 0.00 0.06 0.00 0.00 34.95 30.90 1ggj s ARG 488 CO 0.45 -0.67 -0.14 0.08 -2.50 0.00 0.00 175.30 172.52 1ggj s VAL 489 N 3.35 3.03 -0.30 7.11 1.01 -1.26 -5.10 120.40 128.24 1ggj s VAL 489 Ca 0.51 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1ggj s VAL 489 Cb -0.20 -2.22 0.15 0.00 0.00 0.00 0.00 36.38 34.12 1ggj s VAL 489 CO 0.12 0.57 0.84 -0.70 0.00 0.00 0.00 175.10 175.92 1ggj s GLU 490 N -0.30 0.42 0.00 2.72 2.12 -1.26 -5.16 118.70 117.23 1ggj s GLU 490 Ca 0.02 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.37 1ggj s GLU 490 Cb -0.13 0.61 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1ggj s GLU 490 CO 0.03 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 1ggj n GLY 491 N 5.21 1.84 3.89 -1.50 0.00 -1.26 -5.15 105.19 108.22 1ggj n GLY 491 Ca -0.10 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 6.39 -0.39 1.61 0.01 -1.26 -4.97 114.94 116.32 1ggj s ASN 492 Ca 0.00 1.10 -0.28 0.00 -0.71 0.00 0.00 52.86 52.97 1ggj s ASN 492 Cb 0.00 -2.32 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1ggj s ASN 492 CO 0.00 -0.53 1.95 -0.54 -1.51 0.00 0.00 177.10 176.46 1ggj s LYS 493 N -4.37 3.01 0.05 -0.60 1.02 -1.26 -4.94 119.74 112.65 1ggj s LYS 493 Ca 0.50 1.35 0.02 0.00 0.02 0.00 0.00 55.97 57.87 1ggj s LYS 493 Cb -0.10 -4.31 -0.03 0.00 -0.52 0.00 0.00 37.83 32.87 1ggj s LYS 493 CO 0.39 -2.24 -0.08 0.14 -0.92 0.00 0.00 175.35 172.64 1ggj s VAL 494 N 8.19 0.60 -0.82 3.17 -7.23 -1.26 -5.06 120.40 117.99 1ggj s VAL 494 Ca 0.82 -1.18 -0.12 0.00 -1.81 0.00 0.00 61.98 59.69 1ggj s VAL 494 Cb -0.21 -0.75 0.21 0.00 0.56 0.00 0.00 36.38 36.20 1ggj s VAL 494 CO 0.30 -0.41 0.74 -0.13 -0.31 0.00 0.00 175.10 175.29 1ggj s ARG 495 N -1.80 3.50 -0.17 4.82 0.52 -1.26 -5.00 118.95 119.55 1ggj s ARG 495 Ca -0.07 -2.51 -0.12 0.00 -0.52 0.00 0.00 55.73 52.50 1ggj s ARG 495 Cb -0.09 -4.34 0.05 0.00 0.52 0.00 0.00 34.95 31.10 1ggj s ARG 495 CO 0.00 -1.27 0.44 -2.00 0.02 0.00 0.00 175.30 172.48 1ggj s GLU 496 N 0.06 0.45 0.29 3.54 2.12 -1.26 -5.14 118.70 118.76 1ggj s GLU 496 Ca 0.18 0.74 -0.29 0.00 0.36 0.00 0.00 54.97 55.97 1ggj s GLU 496 Cb -0.11 0.09 -0.09 0.00 0.26 0.00 0.00 34.13 34.27 1ggj s GLU 496 CO -0.08 -0.12 1.06 0.50 -0.54 0.00 0.00 175.26 176.07 1ggj s ARG 497 N 0.97 4.61 0.16 4.30 6.06 -1.26 -4.99 118.95 128.80 1ggj s ARG 497 Ca -0.06 1.68 -0.31 0.00 -2.50 0.00 0.00 55.73 54.55 1ggj s ARG 497 Cb -0.06 -3.10 -0.08 0.00 0.06 0.00 0.00 34.95 31.77 1ggj s ARG 497 CO -0.08 0.22 1.34 0.45 -2.50 0.00 0.00 175.30 174.74 1ggj s SER 498 N -1.06 6.87 0.41 -2.12 0.15 -1.26 -4.90 113.70 111.79 1ggj s SER 498 Ca 0.46 2.36 0.17 0.00 0.70 0.00 0.00 55.95 59.64 1ggj s SER 498 Cb -0.29 -2.60 1.08 0.00 -1.71 0.00 0.00 66.02 62.50 1ggj s SER 498 CO 0.37 -0.59 1.84 -0.65 1.20 0.00 0.00 173.24 175.41 1ggj h PRO 499 N 6.08 0.40 0.00 5.44 0.11 -1.99 1.00 132.00 143.04 1ggj h PRO 499 Ca -0.43 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ggj h PRO 499 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ggj h PRO 499 CO 0.82 0.27 -0.00 0.66 -0.21 0.00 0.00 178.00 179.53 1ggj h SER 500 N 0.42 0.00 0.66 -2.05 4.64 -2.02 -0.73 113.55 114.46 1ggj h SER 500 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1ggj h SER 500 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ggj h SER 500 CO -0.20 0.00 -0.56 0.49 -0.87 0.00 0.00 176.83 175.69 1ggj n PHE 501 N -3.13 0.23 -0.82 4.77 3.01 0.34 -4.30 117.46 117.57 1ggj n PHE 501 Ca -0.03 0.07 -0.10 0.00 1.01 0.00 0.00 57.45 58.40 1ggj n PHE 501 Cb 0.09 -0.43 -0.14 0.00 -0.01 0.00 0.00 39.48 39.00 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 2.66 2.73 1.37 0.00 -0.28 -4.75 105.19 108.34 1ggj n GLY 502 Ca 0.04 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 1.26 0.17 0.00 1.61 -6.30 -1.26 -5.06 118.70 109.12 1ggj s GLU 503 Ca 0.53 0.24 0.00 0.00 -2.50 0.00 0.00 54.97 53.25 1ggj s GLU 503 Cb 0.25 -0.61 -0.00 0.00 0.00 0.00 0.00 34.13 33.77 1ggj s GLU 503 CO 0.00 -0.28 0.10 0.66 0.02 0.00 0.00 175.26 175.77 1ggj n TYR 504 N 4.98 0.00 0.07 5.30 4.01 -1.26 -4.85 117.16 125.42 1ggj n TYR 504 Ca -0.10 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.68 1ggj n TYR 504 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.08 -0.72 4.01 -1.26 -4.57 117.16 113.90 1ggj n TYR 505 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1ggj n TYR 505 Cb 0.00 -0.15 0.18 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.29 -0.10 7.72 4.64 -1.88 -2.23 113.55 121.99 1ggj h SER 506 Ca 0.00 -0.14 -0.16 0.00 -0.47 0.00 0.00 61.79 61.03 1ggj h SER 506 Cb 0.33 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1ggj h SER 506 CO 0.00 0.72 -0.54 0.45 -0.87 0.00 0.00 176.83 176.59 1ggj h HIS 507 N 0.22 0.74 -0.82 4.77 3.86 -1.90 -0.14 115.15 121.88 1ggj h HIS 507 Ca 0.01 -0.33 0.11 0.00 -1.16 0.00 0.00 60.37 59.00 1ggj h HIS 507 Cb 0.91 -0.11 -0.08 0.00 1.06 0.00 0.00 27.41 29.19 1ggj h HIS 507 CO 0.02 1.12 0.46 -1.35 0.86 0.00 0.00 177.93 179.03 1ggj h PRO 508 N 0.16 0.71 -0.31 2.45 0.11 -1.80 0.32 132.00 133.64 1ggj h PRO 508 Ca -0.04 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.85 1ggj h PRO 508 Cb 1.19 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ggj h PRO 508 CO 0.11 0.47 -0.50 -0.09 -0.21 0.00 0.00 178.00 177.79 1ggj h ARG 509 N 0.74 0.89 -0.70 1.05 2.43 -1.29 -0.16 114.38 117.32 1ggj h ARG 509 Ca 0.41 -0.54 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1ggj h ARG 509 Cb 0.44 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 1ggj h ARG 509 CO -0.28 1.18 0.46 1.25 -1.51 0.00 0.00 179.97 181.07 1ggj h LEU 510 N 0.68 0.78 -0.04 3.80 5.85 0.04 -1.17 115.31 125.25 1ggj h LEU 510 Ca 0.03 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ggj h LEU 510 Cb 1.10 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1ggj h LEU 510 CO 0.11 0.55 0.01 0.15 -0.34 0.00 0.00 178.44 178.93 1ggj h PHE 511 N 0.92 0.07 -0.49 1.25 3.04 -0.90 -2.68 116.94 118.15 1ggj h PHE 511 Ca 0.27 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.29 1ggj h PHE 511 Cb -0.06 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.36 1ggj h PHE 511 CO -0.03 0.27 0.10 2.35 -2.02 0.00 0.00 178.31 178.97 1ggj h TRP 512 N -0.16 0.15 0.00 0.41 2.91 -0.71 -2.56 115.95 116.00 1ggj h TRP 512 Ca 0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1ggj h TRP 512 Cb 0.24 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1ggj h TRP 512 CO 0.00 -0.00 0.00 -0.07 -1.03 0.00 0.00 178.44 177.34 1ggj h LEU 513 N 0.23 0.00 -0.03 0.65 3.38 -1.20 -2.85 115.31 115.50 1ggj h LEU 513 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ggj h LEU 513 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ggj h LEU 513 CO -0.32 0.00 -0.24 -1.20 0.09 0.00 0.00 178.44 176.77 1ggj n SER 514 N -2.70 0.28 -4.86 -0.43 7.64 -0.97 -4.87 113.62 107.71 1ggj n SER 514 Ca 0.02 0.05 -0.32 0.00 1.01 0.00 0.00 58.87 59.64 1ggj n SER 514 Cb 0.32 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.95 3.92 1.02 1.43 -1.52 -1.08 -4.24 119.66 116.24 1ggj s GLN 515 Ca 0.14 0.60 -0.13 0.00 -1.95 0.00 0.00 55.36 54.03 1ggj s GLN 515 Cb 0.18 -2.41 0.20 0.00 -0.22 0.00 0.00 33.01 30.76 1ggj s GLN 515 CO 0.60 0.08 1.10 0.95 -0.25 0.00 0.00 175.29 177.77 1ggj s THR 516 N -2.13 1.99 0.24 -0.19 -4.23 -1.26 -4.73 115.64 105.33 1ggj s THR 516 Ca 0.53 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.98 1ggj s THR 516 Cb -0.10 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.48 1ggj s THR 516 CO 0.22 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.56 1ggj h PRO 517 N -1.95 1.30 0.00 3.99 0.11 -1.97 -0.08 132.00 133.39 1ggj h PRO 517 Ca -0.55 -0.10 -0.14 0.00 0.11 0.00 0.00 66.00 65.32 1ggj h PRO 517 Cb 1.33 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1ggj h PRO 517 CO 0.57 0.89 -0.67 0.27 -0.21 0.00 0.00 178.00 178.84 1ggj h PHE 518 N 1.33 0.00 -0.28 0.65 -0.00 -1.97 -2.00 116.94 114.67 1ggj h PHE 518 Ca 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 58.23 1ggj h PHE 518 Cb -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.84 1ggj h PHE 518 CO 0.00 0.67 -0.18 0.93 -0.00 0.00 0.00 178.31 179.74 1ggj h GLU 519 N 0.00 0.62 -0.82 6.09 5.08 -1.71 -2.09 114.58 121.74 1ggj h GLU 519 Ca -0.01 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1ggj h GLU 519 Cb 1.27 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 1ggj h GLU 519 CO 0.09 0.87 0.52 1.96 -1.00 0.00 0.00 179.01 181.45 1ggj h GLN 520 N 0.35 0.98 -0.58 2.33 4.20 -0.93 -1.33 115.11 120.13 1ggj h GLN 520 Ca 0.06 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ggj h GLN 520 Cb 0.71 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1ggj h GLN 520 CO 0.05 0.65 0.36 -0.09 -0.67 0.00 0.00 178.83 179.13 1ggj h ARG 521 N 1.01 0.79 -0.33 1.46 9.65 -1.24 -1.21 114.38 124.50 1ggj h ARG 521 Ca 0.33 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 59.08 1ggj h ARG 521 Cb 0.02 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 1ggj h ARG 521 CO -0.12 0.55 -0.05 0.45 2.80 0.00 0.00 179.97 183.60 1ggj h HIS 522 N 0.79 0.57 -0.23 2.20 3.86 -0.73 -0.39 115.15 121.22 1ggj h HIS 522 Ca 0.21 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1ggj h HIS 522 Cb -0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1ggj h HIS 522 CO -0.02 0.59 0.05 0.82 0.86 0.00 0.00 177.93 180.23 1ggj h ILE 523 N 0.51 1.21 0.12 2.45 2.04 -0.74 -0.27 117.51 122.83 1ggj h ILE 523 Ca 0.10 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1ggj h ILE 523 Cb 0.41 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1ggj h ILE 523 CO 0.02 0.22 -0.23 0.58 0.00 0.00 0.00 178.15 178.73 1ggj h VAL 524 N 0.19 0.48 -0.92 1.67 2.07 -0.92 -0.85 116.25 117.98 1ggj h VAL 524 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1ggj h VAL 524 Cb 0.28 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1ggj h VAL 524 CO 0.00 0.00 0.59 0.44 0.02 0.00 0.00 177.57 178.62 1ggj h ASP 525 N -0.43 0.86 -0.24 0.57 3.45 -0.99 0.08 116.42 119.72 1ggj h ASP 525 Ca 0.03 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.46 1ggj h ASP 525 Cb 0.45 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1ggj h ASP 525 CO -0.13 0.52 -0.03 1.23 -1.57 0.00 0.00 179.24 179.26 1ggj h GLY 526 N 0.96 0.48 0.92 2.75 0.00 -0.51 0.13 103.07 107.79 1ggj h GLY 526 Ca 0.42 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.39 1ggj h GLY 526 CO -0.18 0.34 0.29 0.74 0.00 0.00 0.00 176.54 177.73 1ggj h PHE 527 N 0.19 0.54 -0.46 5.60 0.04 -0.79 -1.55 116.94 120.51 1ggj h PHE 527 Ca 0.06 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 1ggj h PHE 527 Cb 0.47 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1ggj h PHE 527 CO 0.04 0.32 0.15 0.77 -0.60 0.00 0.00 178.31 179.00 1ggj h SER 528 N 0.58 0.67 -0.12 2.17 0.02 -0.90 0.05 113.55 116.01 1ggj h SER 528 Ca 0.18 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1ggj h SER 528 Cb -0.01 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1ggj h SER 528 CO -0.07 0.69 0.00 0.15 -1.14 0.00 0.00 176.83 176.46 1ggj h PHE 529 N 0.61 0.24 -0.58 3.45 3.04 -0.86 -1.93 116.94 120.90 1ggj h PHE 529 Ca 0.15 -0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.96 1ggj h PHE 529 Cb 0.26 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1ggj h PHE 529 CO 0.01 0.45 -0.04 0.93 -2.02 0.00 0.00 178.31 177.65 1ggj h GLU 530 N -0.05 1.05 -0.10 1.11 5.08 -1.18 -2.84 114.58 117.65 1ggj h GLU 530 Ca 0.04 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1ggj h GLU 530 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1ggj h GLU 530 CO 0.01 1.04 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.74 1ggj h LEU 531 N 0.95 0.17 -1.87 1.33 4.07 -0.99 -2.04 115.31 116.92 1ggj h LEU 531 Ca 0.16 -0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.11 1ggj h LEU 531 Cb 0.60 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1ggj h LEU 531 CO 0.04 0.42 0.17 0.28 -1.08 0.00 0.00 178.44 178.27 1ggj h SER 532 N 0.16 0.15 0.29 -0.43 0.02 -1.10 -0.82 113.55 111.82 1ggj h SER 532 Ca 0.03 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ggj h SER 532 Cb 0.53 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1ggj h SER 532 CO 0.04 0.10 -0.07 0.29 -1.14 0.00 0.00 176.83 176.05 1ggj n LYS 533 N -4.49 0.80 -2.95 3.45 4.76 -0.77 -4.76 118.16 114.20 1ggj n LYS 533 Ca 0.02 -0.23 -0.41 0.00 -2.87 0.00 0.00 58.31 54.82 1ggj n LYS 533 Cb 0.21 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.86 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 4.91 0.10 -0.18 1.01 -0.31 -4.56 120.40 119.00 1ggj s VAL 534 Ca 0.33 1.51 -0.14 0.00 0.00 0.00 0.00 61.98 63.68 1ggj s VAL 534 Cb 0.20 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 1ggj s VAL 534 CO 0.44 0.03 1.41 0.58 0.00 0.00 0.00 175.10 177.55 1ggj h VAL 535 N 5.24 1.30 -3.48 2.92 2.07 -1.86 -3.41 116.25 119.03 1ggj h VAL 535 Ca -0.28 -1.53 -0.60 0.00 0.82 0.00 0.00 66.70 65.11 1ggj h VAL 535 Cb 1.13 1.62 -0.11 0.00 -1.52 0.00 0.00 31.29 32.41 1ggj h VAL 535 CO 0.83 0.49 0.62 -0.13 0.02 0.00 0.00 177.57 179.40 1ggj s ARG 536 N -4.28 3.47 0.42 1.57 0.52 -1.26 -4.93 118.95 114.47 1ggj s ARG 536 Ca -0.12 0.04 0.15 0.00 -0.52 0.00 0.00 55.73 55.28 1ggj s ARG 536 Cb 0.09 -3.97 1.02 0.00 0.52 0.00 0.00 34.95 32.61 1ggj s ARG 536 CO 0.84 -1.35 1.91 -1.35 0.02 0.00 0.00 175.30 175.38 1ggj h PRO 537 N 9.20 0.44 -0.22 3.54 0.11 -1.98 -1.64 132.00 141.43 1ggj h PRO 537 Ca -0.25 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.85 1ggj h PRO 537 Cb 1.07 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ggj h PRO 537 CO 1.06 0.29 0.15 0.10 -0.21 0.00 0.00 178.00 179.39 1ggj h TYR 538 N 0.45 0.23 -0.47 0.65 -0.00 -1.97 -1.49 116.97 114.37 1ggj h TYR 538 Ca 0.38 0.01 -0.10 0.00 0.00 0.00 0.00 58.73 59.01 1ggj h TYR 538 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 37.48 1ggj h TYR 538 CO -0.00 0.14 -0.11 0.82 -0.00 0.00 0.00 178.16 179.01 1ggj h ILE 539 N 0.25 1.27 -0.66 -0.90 2.04 -1.71 -0.50 117.51 117.31 1ggj h ILE 539 Ca 0.09 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1ggj h ILE 539 Cb 0.05 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1ggj h ILE 539 CO -0.02 0.43 0.43 0.03 0.00 0.00 0.00 178.15 179.02 1ggj h ARG 540 N 0.75 0.85 -0.64 2.37 3.08 -1.36 -1.65 114.38 117.78 1ggj h ARG 540 Ca 0.12 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1ggj h ARG 540 Cb 0.66 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1ggj h ARG 540 CO 0.05 0.56 0.29 0.93 -1.07 0.00 0.00 179.97 180.73 1ggj h GLU 541 N 0.87 0.94 -0.28 0.04 5.08 -1.16 -0.68 114.58 119.39 1ggj h GLU 541 Ca 0.25 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1ggj h GLU 541 Cb -0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1ggj h GLU 541 CO -0.07 0.77 -0.19 0.00 -1.00 0.00 0.00 179.01 178.51 1ggj h ARG 542 N 0.89 0.52 -0.22 2.33 3.08 -0.67 -1.17 114.38 119.14 1ggj h ARG 542 Ca 0.22 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1ggj h ARG 542 Cb 0.15 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1ggj h ARG 542 CO -0.02 0.69 -0.26 0.28 -1.07 0.00 0.00 179.97 179.59 1ggj h VAL 543 N 0.47 1.33 -0.99 2.04 2.07 -1.05 -2.01 116.25 118.10 1ggj h VAL 543 Ca 0.08 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.19 1ggj h VAL 543 Cb 0.60 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 1ggj h VAL 543 CO 0.04 0.44 0.65 0.58 0.02 0.00 0.00 177.57 179.31 1ggj h VAL 544 N 0.24 1.17 -0.75 2.57 2.07 -0.92 0.49 116.25 121.12 1ggj h VAL 544 Ca 0.03 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1ggj h VAL 544 Cb 0.82 -0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1ggj h VAL 544 CO 0.06 0.23 0.44 -0.78 0.02 0.00 0.00 177.57 177.54 1ggj h ASP 545 N 1.25 0.67 -0.26 0.57 1.82 -0.99 0.30 116.42 119.78 1ggj h ASP 545 Ca 0.39 0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.97 1ggj h ASP 545 Cb 0.00 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 39.89 1ggj h ASP 545 CO -0.12 0.42 -0.14 1.56 -1.61 0.00 0.00 179.24 179.35 1ggj h GLN 546 N 0.80 0.68 -0.67 0.28 1.08 -0.46 -2.57 115.11 114.25 1ggj h GLN 546 Ca 0.34 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 1ggj h GLN 546 Cb 0.20 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1ggj h GLN 546 CO -0.19 0.79 0.26 -0.07 -0.95 0.00 0.00 178.83 178.67 1ggj h LEU 547 N 0.61 0.90 -2.61 1.46 3.38 0.44 -0.98 115.31 118.52 1ggj h LEU 547 Ca 0.10 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ggj h LEU 547 Cb 0.59 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ggj h LEU 547 CO 0.04 0.81 -0.01 0.00 0.09 0.00 0.00 178.44 179.37 1ggj h ALA 548 N 1.32 1.13 0.00 1.53 0.00 -0.58 -0.14 119.26 122.52 1ggj h ALA 548 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ggj h ALA 548 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ggj h ALA 548 CO -0.02 0.02 -0.10 0.72 0.00 0.00 0.00 179.25 179.87 1ggj n HIS 549 N -3.29 0.38 -0.13 0.00 8.25 -0.37 -4.13 115.22 115.92 1ggj n HIS 549 Ca -0.02 0.11 -0.26 0.00 -0.26 0.00 0.00 57.72 57.29 1ggj n HIS 549 Cb 0.12 -0.65 -0.09 0.00 1.12 0.00 0.00 29.99 30.49 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 -1.83 1.52 -3.64 1.59 5.41 -0.16 -4.20 119.36 118.06 1ggj n ILE 550 Ca 0.06 -0.28 -0.05 0.00 1.00 0.00 0.00 62.75 63.48 1ggj n ILE 550 Cb 0.38 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.26 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 -7.17 -0.84 0.25 4.38 -1.08 -0.65 -4.64 116.67 106.91 1ggj s ASP 551 Ca -0.37 1.33 -0.03 0.00 -0.52 0.00 0.00 52.55 52.96 1ggj s ASP 551 Cb 0.13 1.41 0.29 0.00 -1.46 0.00 0.00 42.92 43.29 1ggj s ASP 551 CO 0.48 -0.21 1.76 0.25 0.52 0.00 0.00 175.17 177.97 1ggj h LEU 552 N 6.84 0.84 -0.57 -1.34 7.12 -1.81 -1.55 115.31 124.84 1ggj h LEU 552 Ca -0.28 -0.19 -0.04 0.00 0.13 0.00 0.00 57.88 57.49 1ggj h LEU 552 Cb 1.21 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.09 1ggj h LEU 552 CO 0.16 0.87 0.18 0.74 -0.13 0.00 0.00 178.44 180.27 1ggj h THR 553 N 0.83 1.24 -0.38 1.05 2.02 -1.97 0.31 112.91 116.02 1ggj h THR 553 Ca 0.17 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1ggj h THR 553 Cb 0.41 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1ggj h THR 553 CO 0.01 0.30 0.06 0.25 0.37 0.00 0.00 175.52 176.51 1ggj h LEU 554 N 0.79 0.61 -0.16 2.58 5.85 -1.89 -0.39 115.31 122.70 1ggj h LEU 554 Ca 0.18 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1ggj h LEU 554 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1ggj h LEU 554 CO -0.01 0.72 0.07 0.00 -0.34 0.00 0.00 178.44 178.88 1ggj h ALA 555 N 0.91 0.21 -0.68 1.25 0.00 -1.02 -1.31 119.26 118.61 1ggj h ALA 555 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ggj h ALA 555 Cb 0.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ggj h ALA 555 CO 0.01 -0.22 0.38 1.96 0.00 0.00 0.00 179.25 181.38 1ggj h GLN 556 N 0.12 0.94 -0.54 0.00 4.20 -0.33 0.93 115.11 120.44 1ggj h GLN 556 Ca 0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ggj h GLN 556 Cb 0.14 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1ggj h GLN 556 CO -0.01 0.70 0.31 0.00 -0.67 0.00 0.00 178.83 179.16 1ggj h ALA 557 N 1.19 0.68 -0.13 3.87 0.00 -0.86 -0.90 119.26 123.11 1ggj h ALA 557 Ca 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ggj h ALA 557 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ggj h ALA 557 CO -0.04 0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.65 1ggj h VAL 558 N 0.72 1.28 -0.85 0.00 2.07 -1.08 -2.98 116.25 115.40 1ggj h VAL 558 Ca 0.19 -0.92 0.12 0.00 0.82 0.00 0.00 66.70 66.91 1ggj h VAL 558 Cb 0.01 1.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1ggj h VAL 558 CO -0.03 0.27 0.47 0.00 0.02 0.00 0.00 177.57 178.29 1ggj h ALA 559 N 0.72 1.26 -0.45 1.67 0.00 -0.70 -1.42 119.26 120.34 1ggj h ALA 559 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ggj h ALA 559 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ggj h ALA 559 CO 0.01 0.01 0.09 -0.22 0.00 0.00 0.00 179.25 179.14 1ggj h LYS 560 N 0.72 0.68 0.00 0.00 3.64 -1.11 0.34 116.57 120.83 1ggj h LYS 560 Ca 0.44 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1ggj h LYS 560 Cb 0.53 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1ggj h LYS 560 CO -0.31 0.63 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.57 1ggj h ASN 561 N 0.66 0.00 -0.14 4.20 2.35 -1.12 -3.04 115.58 118.50 1ggj h ASN 561 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1ggj h ASN 561 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1ggj h ASN 561 CO 0.00 0.02 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 1ggj n LEU 562 N -3.11 3.09 -1.05 1.61 4.77 -0.72 -4.95 117.00 116.63 1ggj n LEU 562 Ca 0.02 -1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 54.75 1ggj n LEU 562 Cb 0.39 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1ggj n LEU 562 CO 0.30 0.57 -0.12 0.61 -1.33 0.00 0.00 177.39 177.42 1ggj n GLY 563 N 1.36 0.09 3.65 -0.72 0.00 -0.63 -5.02 105.19 103.92 1ggj n GLY 563 Ca 0.15 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.46 4.19 -0.24 -0.61 1.01 0.11 -5.01 121.20 118.18 1ggj s ILE 564 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 1ggj s ILE 564 Cb 0.00 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1ggj s ILE 564 CO 0.00 0.59 0.02 -1.61 0.00 0.00 0.00 174.94 173.94 1ggj s GLU 565 N -0.70 3.46 0.58 2.79 2.02 -1.26 -3.90 118.70 121.68 1ggj s GLU 565 Ca 0.11 -0.59 -0.20 0.00 0.02 0.00 0.00 54.97 54.31 1ggj s GLU 565 Cb -0.12 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1ggj s GLU 565 CO 0.02 -0.22 1.26 -0.51 0.02 0.00 0.00 175.26 175.83 1ggj s LEU 566 N 1.54 3.74 0.68 1.80 1.43 -1.26 -5.02 118.68 121.59 1ggj s LEU 566 Ca 0.06 2.52 -0.06 0.00 -1.03 0.00 0.00 54.13 55.61 1ggj s LEU 566 Cb -0.15 -4.48 0.05 0.00 0.03 0.00 0.00 46.19 41.64 1ggj s LEU 566 CO 0.00 -1.58 0.99 0.42 0.23 0.00 0.00 176.35 176.40 1ggj s THR 567 N -1.48 2.48 0.23 5.49 -4.23 -1.26 -4.91 115.64 111.96 1ggj s THR 567 Ca 0.75 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.96 1ggj s THR 567 Cb -0.34 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 70.51 1ggj s THR 567 CO 0.38 -0.06 1.68 0.44 -0.54 0.00 0.00 174.62 176.52 1ggj h ASP 568 N -0.50 0.83 -0.68 3.99 3.32 -1.98 -1.44 116.42 119.95 1ggj h ASP 568 Ca -0.44 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.36 1ggj h ASP 568 Cb 1.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1ggj h ASP 568 CO 0.60 0.94 0.41 0.44 -1.72 0.00 0.00 179.24 179.91 1ggj h ASP 569 N 0.76 0.82 -0.52 6.45 3.45 -1.97 -1.39 116.42 124.03 1ggj h ASP 569 Ca 0.13 -0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.48 1ggj h ASP 569 Cb 0.58 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 1ggj h ASP 569 CO 0.04 0.64 0.14 1.56 -1.57 0.00 0.00 179.24 180.05 1ggj h GLN 570 N 0.93 0.87 0.00 3.56 4.20 -1.85 -2.13 115.11 120.69 1ggj h GLN 570 Ca 0.25 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1ggj h GLN 570 Cb -0.03 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1ggj h GLN 570 CO -0.05 0.78 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.61 1ggj h LEU 571 N 0.84 0.00 -3.11 1.46 4.07 -0.81 -2.98 115.31 114.78 1ggj h LEU 571 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1ggj h LEU 571 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1ggj h LEU 571 CO -0.00 0.22 0.00 0.59 -1.08 0.00 0.00 178.44 178.16 1ggj n ASN 572 N -4.03 4.65 -4.69 -0.43 4.13 -0.56 -4.94 115.26 109.38 1ggj n ASN 572 Ca -0.02 -2.41 -0.42 0.00 1.68 0.00 0.00 54.58 53.41 1ggj n ASN 572 Cb 0.29 -0.56 -0.03 0.00 -1.54 0.00 0.00 39.78 37.94 1ggj n ASN 572 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ggj s ILE 573 N -1.78 3.44 0.11 2.41 1.01 -1.07 -4.94 121.20 120.37 1ggj s ILE 573 Ca 0.50 0.88 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 1ggj s ILE 573 Cb 0.32 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.14 1ggj s ILE 573 CO 0.25 0.01 1.56 -0.89 0.00 0.00 0.00 174.94 175.87 1ggj s THR 574 N 2.27 2.97 0.61 2.92 2.01 -1.26 -4.97 115.64 120.20 1ggj s THR 574 Ca 0.67 0.59 -0.19 0.00 0.31 0.00 0.00 61.69 63.07 1ggj s THR 574 Cb -0.35 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1ggj s THR 574 CO 0.29 0.02 1.24 -0.81 -0.69 0.00 0.00 174.62 174.67 1ggj n PRO 575 N 4.68 1.23 -1.15 4.92 -0.04 -1.26 -4.96 135.00 138.41 1ggj n PRO 575 Ca 0.14 0.47 -0.31 0.00 -0.04 0.00 0.00 63.50 63.76 1ggj n PRO 575 Cb 0.40 -2.46 0.11 0.00 -0.04 0.00 0.00 33.50 31.51 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 -3.09 1.93 0.88 0.54 0.04 -1.26 -5.01 135.00 129.03 1ggj s PRO 576 Ca 0.78 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 1ggj s PRO 576 Cb -0.40 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.41 1ggj s PRO 576 CO 0.44 -1.92 1.09 -1.25 0.04 0.00 0.00 177.00 175.41 1ggj s PRO 577 N -4.68 1.35 0.97 0.56 0.04 -1.26 -4.94 135.00 127.05 1ggj s PRO 577 Ca 0.64 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1ggj s PRO 577 Cb -0.20 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.71 1ggj s PRO 577 CO 0.54 -2.22 1.09 0.16 0.04 0.00 0.00 177.00 176.61 1ggj s ASP 578 N -3.28 2.80 -0.48 6.66 1.47 -1.26 -4.70 116.67 117.87 1ggj s ASP 578 Ca 0.63 1.33 -0.14 0.00 1.18 0.00 0.00 52.55 55.55 1ggj s ASP 578 Cb -0.19 -2.00 0.09 0.00 -0.34 0.00 0.00 42.92 40.49 1ggj s ASP 578 CO 0.57 -3.04 0.40 -0.69 0.68 0.00 0.00 175.17 173.09 1ggj s VAL 579 N -2.92 5.00 -1.43 2.11 1.01 -1.14 -4.48 120.40 118.55 1ggj s VAL 579 Ca 0.65 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1ggj s VAL 579 Cb -0.19 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.15 1ggj s VAL 579 CO 0.58 -0.66 0.72 0.59 0.00 0.00 0.00 175.10 176.33 1ggj n ASN 580 N 5.15 -2.19 0.00 3.32 4.13 -1.26 -1.25 115.26 123.16 1ggj n ASN 580 Ca -0.12 -0.87 0.00 0.00 1.68 0.00 0.00 54.58 55.27 1ggj n ASN 580 Cb 0.42 -3.66 0.00 0.00 -1.54 0.00 0.00 39.78 35.01 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 -1.69 0.92 3.73 7.41 0.00 -1.26 -5.02 105.19 109.28 1ggj n GLY 581 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 4.34 -0.04 0.99 1.43 -0.38 -4.93 118.68 120.09 1ggj s LEU 582 Ca 0.00 1.13 0.11 0.00 -1.03 0.00 0.00 54.13 54.34 1ggj s LEU 582 Cb 0.00 -2.99 0.33 0.00 0.03 0.00 0.00 46.19 43.56 1ggj s LEU 582 CO 0.00 -0.04 1.27 0.29 0.23 0.00 0.00 176.35 178.10 1ggj n LYS 583 N 3.47 2.87 0.00 1.70 5.02 -1.26 -2.86 118.16 127.10 1ggj n LYS 583 Ca -0.04 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.08 1ggj n LYS 583 Cb 0.51 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1ggj n LYS 583 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ggj n LYS 584 N 0.22 0.00 -3.36 1.97 2.85 -1.26 -4.72 118.16 113.85 1ggj n LYS 584 Ca 0.13 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.27 1ggj n LYS 584 Cb 0.51 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.81 1ggj n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ggj s ASP 585 N 0.00 0.68 0.33 -5.58 3.68 -1.26 -5.01 116.67 109.51 1ggj s ASP 585 Ca 0.00 -0.20 0.19 0.00 2.13 0.00 0.00 52.55 54.67 1ggj s ASP 585 Cb 0.00 0.92 1.06 0.00 -1.45 0.00 0.00 42.92 43.45 1ggj s ASP 585 CO 0.00 -0.34 1.56 -2.65 0.13 0.00 0.00 175.17 173.88 1ggj n PRO 586 N 5.35 0.13 0.00 4.34 -0.02 -1.26 -1.91 135.00 141.62 1ggj n PRO 586 Ca -0.02 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.21 1ggj n PRO 586 Cb 0.49 -2.01 0.57 0.00 -0.02 0.00 0.00 33.50 32.53 1ggj n PRO 586 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ggj n SER 587 N -2.21 0.00 0.07 2.55 3.41 -1.26 -2.94 113.62 113.23 1ggj n SER 587 Ca -0.01 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1ggj n SER 587 Cb 0.13 -0.47 0.23 0.00 -0.26 0.00 0.00 64.21 63.83 1ggj n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ggj n LEU 588 N -1.47 0.72 -4.85 1.04 4.77 -0.80 -4.85 117.00 111.55 1ggj n LEU 588 Ca 0.07 0.30 -0.33 0.00 -0.03 0.00 0.00 56.01 56.03 1ggj n LEU 588 Cb 0.29 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1ggj n LEU 588 CO 0.24 -0.08 0.37 -0.55 -1.33 0.00 0.00 177.39 176.03 1ggj s SER 589 N -4.28 6.77 0.06 -1.43 0.15 -1.15 -4.92 113.70 108.91 1ggj s SER 589 Ca 0.07 1.21 -0.13 0.00 0.70 0.00 0.00 55.95 57.80 1ggj s SER 589 Cb 0.13 -2.34 -0.28 0.00 -1.71 0.00 0.00 66.02 61.81 1ggj s SER 589 CO 0.69 -0.14 1.11 -0.07 1.20 0.00 0.00 173.24 176.03 1ggj h LEU 590 N 2.49 0.82 0.00 3.45 3.38 -1.88 -3.41 115.31 120.16 1ggj h LEU 590 Ca -0.48 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 56.72 1ggj h LEU 590 Cb 1.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1ggj h LEU 590 CO 0.66 1.58 -0.41 -1.22 0.09 0.00 0.00 178.44 179.14 1ggj n TYR 591 N -3.76 0.00 -0.27 1.13 4.01 -1.26 -4.73 117.16 112.28 1ggj n TYR 591 Ca -0.13 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.64 1ggj n TYR 591 Cb 1.00 -0.02 0.17 0.00 -0.31 0.00 0.00 39.34 40.18 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 0.73 1.11 -3.06 -0.72 0.00 -1.85 -3.28 119.26 112.20 1ggj h ALA 592 Ca 0.00 0.06 -0.70 0.00 0.00 0.00 0.00 54.91 54.27 1ggj h ALA 592 Cb 0.15 -0.04 -0.34 0.00 0.00 0.00 0.00 17.79 17.56 1ggj h ALA 592 CO 0.00 -0.04 -0.50 0.42 0.00 0.00 0.00 179.25 179.13 1ggj s ILE 593 N -6.03 3.51 -0.15 0.00 1.01 -1.26 -5.06 121.20 113.22 1ggj s ILE 593 Ca -0.12 -2.12 -0.40 0.00 0.00 0.00 0.00 60.65 58.01 1ggj s ILE 593 Cb 0.20 -3.37 -0.18 0.00 0.01 0.00 0.00 42.46 39.12 1ggj s ILE 593 CO 0.77 -0.73 1.46 -0.81 0.00 0.00 0.00 174.94 175.63 1ggj n PRO 594 N 4.52 0.72 -1.39 2.79 -0.04 -1.24 -4.89 135.00 135.48 1ggj n PRO 594 Ca -0.02 0.26 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1ggj n PRO 594 Cb 0.41 -1.86 0.01 0.00 -0.04 0.00 0.00 33.50 32.01 1ggj n PRO 594 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ggj n ASP 595 N 3.48 0.66 -4.70 3.54 3.85 -1.26 -5.10 116.55 117.01 1ggj n ASP 595 Ca 0.23 -1.99 -0.42 0.00 -0.71 0.00 0.00 54.79 51.90 1ggj n ASP 595 Cb 0.11 -0.21 -0.03 0.00 -1.35 0.00 0.00 41.12 39.64 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 -1.81 1.91 -0.08 6.12 0.00 -1.25 -3.99 107.32 108.23 1ggj s GLY 596 Ca 0.28 1.02 0.03 0.00 0.00 0.00 0.00 44.72 46.04 1ggj s GLY 596 CO -0.14 2.44 -0.17 -0.35 0.00 0.00 0.00 173.10 174.88 1ggj s ASP 597 N 1.52 2.38 0.00 1.64 3.68 -1.24 -4.87 116.67 119.79 1ggj s ASP 597 Ca 0.65 -0.42 0.25 0.00 2.13 0.00 0.00 52.55 55.15 1ggj s ASP 597 Cb -0.34 -1.09 0.41 0.00 -1.45 0.00 0.00 42.92 40.45 1ggj s ASP 597 CO 0.29 0.08 1.35 1.33 0.13 0.00 0.00 175.17 178.35 1ggj n VAL 598 N 3.74 0.01 -1.69 1.11 0.24 -1.26 -4.91 118.33 115.58 1ggj n VAL 598 Ca -0.21 -0.01 -0.44 0.00 -2.04 0.00 0.00 64.34 61.64 1ggj n VAL 598 Cb 0.52 0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.53 2.53 -0.04 7.34 3.00 -1.25 -1.59 118.16 126.62 1ggj n LYS 599 Ca 0.05 0.92 0.00 0.00 -0.00 0.00 0.00 58.31 59.28 1ggj n LYS 599 Cb 0.34 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.61 1ggj n LYS 599 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ggj n GLY 600 N 3.94 0.59 3.85 3.14 0.00 -0.45 -4.98 105.19 111.28 1ggj n GLY 600 Ca 0.18 0.00 -0.30 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 -0.80 2.62 -0.01 1.61 1.81 -0.62 -4.77 118.95 118.79 1ggj s ARG 601 Ca 0.00 0.57 0.05 0.00 -1.72 0.00 0.00 55.73 54.64 1ggj s ARG 601 Cb 0.00 -1.99 -0.01 0.00 -0.45 0.00 0.00 34.95 32.50 1ggj s ARG 601 CO 0.00 -1.23 -0.17 0.08 -0.68 0.00 0.00 175.30 173.30 1ggj s VAL 602 N -3.26 1.34 -0.12 3.52 1.01 -1.26 0.24 120.40 121.88 1ggj s VAL 602 Ca 0.59 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1ggj s VAL 602 Cb -0.12 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1ggj s VAL 602 CO 0.53 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 175.16 1ggj s VAL 603 N -0.40 2.83 0.08 2.92 1.01 0.88 0.60 120.40 128.32 1ggj s VAL 603 Ca 0.07 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1ggj s VAL 603 Cb -0.07 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 1ggj s VAL 603 CO -0.01 0.54 0.76 0.00 0.00 0.00 0.00 175.10 176.39 1ggj s ALA 604 N 0.28 3.40 -0.23 5.51 0.00 0.34 -1.25 121.76 129.82 1ggj s ALA 604 Ca -0.11 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1ggj s ALA 604 Cb -0.16 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.03 1ggj s ALA 604 CO 0.06 0.15 -0.14 0.42 0.00 0.00 0.00 175.76 176.25 1ggj s ILE 605 N -0.44 2.17 -0.47 0.00 1.01 -0.42 -0.43 121.20 122.62 1ggj s ILE 605 Ca 0.37 -1.31 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 1ggj s ILE 605 Cb -0.21 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1ggj s ILE 605 CO 0.24 0.22 0.81 -0.76 0.00 0.00 0.00 174.94 175.45 1ggj s LEU 606 N 1.19 4.25 0.72 2.97 1.02 -0.45 -1.43 118.68 126.95 1ggj s LEU 606 Ca -0.03 -0.19 -0.11 0.00 0.02 0.00 0.00 54.13 53.82 1ggj s LEU 606 Cb -0.17 -2.93 0.03 0.00 0.02 0.00 0.00 46.19 43.14 1ggj s LEU 606 CO -0.08 -0.98 1.11 -0.76 0.02 0.00 0.00 176.35 175.65 1ggj s LEU 607 N 3.40 2.83 0.00 1.79 1.43 -0.49 -4.13 118.68 123.53 1ggj s LEU 607 Ca 0.30 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 1ggj s LEU 607 Cb -0.12 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 1ggj s LEU 607 CO 0.22 -1.44 0.11 -0.46 0.23 0.00 0.00 176.35 175.01 1ggj n ASN 608 N -3.05 1.08 -0.16 2.29 0.23 -1.26 -4.80 115.26 109.59 1ggj n ASN 608 Ca 0.07 -2.57 0.15 0.00 -0.53 0.00 0.00 54.58 51.70 1ggj n ASN 608 Cb 0.58 0.77 0.79 0.00 -2.08 0.00 0.00 39.78 39.83 1ggj n ASN 608 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1ggj n ASP 609 N -1.69 0.52 -3.08 0.53 3.85 -1.26 -4.03 116.55 111.39 1ggj n ASP 609 Ca -0.04 -1.13 -0.16 0.00 -0.71 0.00 0.00 54.79 52.75 1ggj n ASP 609 Cb 0.44 -0.01 -0.00 0.00 -1.35 0.00 0.00 41.12 40.20 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 -0.61 0.97 -1.79 0.11 4.07 -1.26 -4.36 120.64 117.77 1ggj n GLU 610 Ca 0.22 -3.03 -0.38 0.00 -0.06 0.00 0.00 57.16 53.91 1ggj n GLU 610 Cb 0.20 -1.53 0.04 0.00 -0.06 0.00 0.00 31.44 30.09 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 -1.74 2.09 -0.61 6.31 1.01 -1.26 -2.63 120.40 123.58 1ggj s VAL 611 Ca 0.36 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 1ggj s VAL 611 Cb 0.33 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.72 1ggj s VAL 611 CO -0.08 -0.00 1.08 -0.60 0.00 0.00 0.00 175.10 175.50 1ggj s ARG 612 N -2.98 3.31 0.30 2.72 6.06 -1.15 -0.65 118.95 126.56 1ggj s ARG 612 Ca 0.73 -0.22 0.02 0.00 -2.50 0.00 0.00 55.73 53.76 1ggj s ARG 612 Cb -0.40 -4.10 0.74 0.00 0.06 0.00 0.00 34.95 31.26 1ggj s ARG 612 CO 0.46 -1.73 1.60 0.66 -2.50 0.00 0.00 175.30 173.80 1ggj h SER 613 N 9.56 -0.25 -0.79 -2.12 4.64 -1.93 -0.58 113.55 122.08 1ggj h SER 613 Ca -0.27 0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ggj h SER 613 Cb 1.06 0.38 -0.04 0.00 -0.31 0.00 0.00 62.40 63.50 1ggj h SER 613 CO 1.17 -0.28 0.49 0.00 -0.87 0.00 0.00 176.83 177.34 1ggj h ALA 614 N 1.89 1.35 0.09 5.18 0.00 -1.99 -0.85 119.26 124.93 1ggj h ALA 614 Ca 0.58 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ggj h ALA 614 Cb 1.21 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ggj h ALA 614 CO -0.80 0.56 -0.04 -0.44 0.00 0.00 0.00 179.25 178.53 1ggj h ASP 615 N 1.10 -0.10 -0.56 0.00 3.45 -1.37 -2.61 116.42 116.33 1ggj h ASP 615 Ca 0.29 -0.16 0.03 0.00 0.43 0.00 0.00 57.03 57.62 1ggj h ASP 615 Cb -0.05 0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 38.70 1ggj h ASP 615 CO -0.06 0.10 0.33 0.25 -1.57 0.00 0.00 179.24 178.30 1ggj h LEU 616 N -0.29 0.53 0.41 1.55 6.46 -1.37 0.29 115.31 122.89 1ggj h LEU 616 Ca -0.01 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1ggj h LEU 616 Cb 0.25 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 1ggj h LEU 616 CO 0.02 0.37 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.77 1ggj h LEU 617 N 0.65 -0.99 -0.54 2.25 4.07 -1.17 -1.24 115.31 118.34 1ggj h LEU 617 Ca 0.23 0.08 0.10 0.00 0.08 0.00 0.00 57.88 58.37 1ggj h LEU 617 Cb 0.05 0.33 -0.08 0.00 1.08 0.00 0.00 40.66 42.03 1ggj h LEU 617 CO -0.11 -0.53 0.07 0.00 -1.08 0.00 0.00 178.44 176.79 1ggj h ALA 618 N -0.38 0.58 0.35 1.53 0.00 -1.19 0.15 119.26 120.30 1ggj h ALA 618 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ggj h ALA 618 Cb 0.70 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ggj h ALA 618 CO -0.04 -0.34 -0.22 0.82 0.00 0.00 0.00 179.25 179.47 1ggj h ILE 619 N 0.19 0.55 -0.29 0.00 2.04 -0.85 -2.47 117.51 116.68 1ggj h ILE 619 Ca 0.28 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.10 1ggj h ILE 619 Cb 0.41 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1ggj h ILE 619 CO -0.39 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 177.69 1ggj h LEU 620 N -0.55 0.40 -0.11 1.44 3.38 -0.80 -0.55 115.31 118.52 1ggj h LEU 620 Ca -0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1ggj h LEU 620 Cb 0.45 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ggj h LEU 620 CO 0.04 0.47 -0.04 0.50 0.09 0.00 0.00 178.44 179.49 1ggj h LYS 621 N 0.43 0.23 -0.61 1.13 3.64 -0.67 0.42 116.57 121.14 1ggj h LYS 621 Ca 0.10 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1ggj h LYS 621 Cb 0.27 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1ggj h LYS 621 CO 0.01 0.55 0.01 0.00 -2.27 0.00 0.00 179.45 177.75 1ggj h ALA 622 N 0.67 0.86 -0.22 5.00 0.00 -1.25 -1.11 119.26 123.20 1ggj h ALA 622 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1ggj h ALA 622 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ggj h ALA 622 CO 0.01 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.87 1ggj h LEU 623 N 0.98 0.38 -1.52 0.00 3.38 -1.05 -2.95 115.31 114.53 1ggj h LEU 623 Ca 0.18 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ggj h LEU 623 Cb 0.54 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1ggj h LEU 623 CO 0.03 0.59 0.33 0.50 0.09 0.00 0.00 178.44 179.98 1ggj h LYS 624 N 0.16 0.64 -0.09 1.13 3.64 -0.78 -1.82 116.57 119.45 1ggj h LYS 624 Ca 0.06 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1ggj h LYS 624 Cb 0.39 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1ggj h LYS 624 CO 0.01 0.42 -0.19 0.00 -2.27 0.00 0.00 179.45 177.42 1ggj h ALA 625 N 1.70 1.52 -0.01 5.00 0.00 -1.03 -2.93 119.26 123.50 1ggj h ALA 625 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ggj h ALA 625 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ggj h ALA 625 CO -0.04 0.35 -0.43 1.63 0.00 0.00 0.00 179.25 180.76 1ggj n LYS 626 N -4.25 0.96 -0.90 0.00 4.76 -0.83 -4.96 118.16 112.94 1ggj n LYS 626 Ca -0.01 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.71 1ggj n LYS 626 Cb 0.29 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 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 1.40 0.45 3.75 0.72 0.00 -0.95 -3.97 105.19 106.59 1ggj n GLY 627 Ca 0.10 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 5.04 0.50 1.61 1.01 -0.75 -1.34 120.40 124.48 1ggj s VAL 628 Ca 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 61.98 63.06 1ggj s VAL 628 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1ggj s VAL 628 CO 0.00 0.39 0.76 -1.00 0.00 0.00 0.00 175.10 175.25 1ggj s HIS 629 N 0.06 3.21 0.06 5.22 3.76 0.14 -4.12 115.29 123.62 1ggj s HIS 629 Ca 0.29 0.36 0.05 0.00 -0.15 0.00 0.00 55.06 55.61 1ggj s HIS 629 Cb -0.17 -2.49 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 1ggj s HIS 629 CO 0.14 -0.55 -0.14 0.00 -0.85 0.00 0.00 174.74 173.35 1ggj s ALA 630 N -2.72 1.11 -0.07 -1.40 0.00 -1.26 -0.08 121.76 117.34 1ggj s ALA 630 Ca 0.51 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1ggj s ALA 630 Cb -0.10 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1ggj s ALA 630 CO 0.40 0.16 -0.01 -1.59 0.00 0.00 0.00 175.76 174.72 1ggj s LYS 631 N -1.62 0.73 -0.13 0.00 -2.85 -0.38 -4.90 119.74 110.58 1ggj s LYS 631 Ca -0.02 0.05 -0.23 0.00 -1.00 0.00 0.00 55.97 54.77 1ggj s LYS 631 Cb -0.10 -1.02 -0.03 0.00 -2.06 0.00 0.00 37.83 34.62 1ggj s LYS 631 CO 0.02 -0.28 0.72 -0.51 0.10 0.00 0.00 175.35 175.40 1ggj s LEU 632 N 1.84 4.23 0.20 2.77 1.43 -1.26 -1.31 118.68 126.58 1ggj s LEU 632 Ca 0.03 1.08 0.11 0.00 -1.03 0.00 0.00 54.13 54.32 1ggj s LEU 632 Cb -0.12 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 1ggj s LEU 632 CO -0.05 -0.24 -0.22 -0.76 0.23 0.00 0.00 176.35 175.32 1ggj s LEU 633 N 1.49 2.46 0.00 1.79 1.02 -0.52 -0.71 118.68 124.21 1ggj s LEU 633 Ca 0.35 -0.90 -0.04 0.00 0.02 0.00 0.00 54.13 53.57 1ggj s LEU 633 Cb -0.17 -1.06 0.01 0.00 0.02 0.00 0.00 46.19 45.00 1ggj s LEU 633 CO 0.14 0.06 0.22 0.00 0.02 0.00 0.00 176.35 176.79 1ggj n TYR 634 N 0.11 -1.24 0.64 0.29 9.36 -1.06 -1.39 117.16 123.87 1ggj n TYR 634 Ca -0.11 -0.64 0.13 0.00 3.32 0.00 0.00 57.90 60.60 1ggj n TYR 634 Cb 0.57 0.26 0.33 0.00 -0.63 0.00 0.00 39.34 39.87 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 -1.40 0.71 -3.60 2.98 3.41 -1.26 -1.38 113.62 113.09 1ggj n SER 635 Ca -0.02 0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 58.82 1ggj n SER 635 Cb 0.19 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 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 -3.11 1.66 0.28 4.33 1.70 -1.26 -4.83 118.95 117.71 1ggj s ARG 636 Ca 0.09 -1.73 -0.03 0.00 -0.47 0.00 0.00 55.73 53.60 1ggj s ARG 636 Cb 0.13 0.38 0.06 0.00 -0.57 0.00 0.00 34.95 34.95 1ggj s ARG 636 CO 0.64 -0.64 0.38 -1.33 -1.08 0.00 0.00 175.30 173.27 1ggj n MET 637 N -0.49 -0.03 0.00 3.89 2.81 -1.26 -4.72 117.12 117.32 1ggj n MET 637 Ca 0.03 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 1ggj n MET 637 Cb 0.63 -0.34 0.00 0.00 -0.71 0.00 0.00 33.22 32.80 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 2.31 1.02 3.11 3.03 0.00 -1.26 -4.95 105.19 108.45 1ggj n GLY 638 Ca 0.05 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 1ggj n GLY 638 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggj s GLU 639 N 0.00 0.58 0.22 1.61 -1.05 -1.26 -0.30 118.70 118.50 1ggj s GLU 639 Ca 0.00 -0.77 0.09 0.00 -0.15 0.00 0.00 54.97 54.14 1ggj s GLU 639 Cb 0.00 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1ggj s GLU 639 CO 0.00 -0.14 -0.17 0.14 0.95 0.00 0.00 175.26 176.03 1ggj s VAL 640 N -2.63 2.00 -0.16 1.83 -7.23 0.49 -4.94 120.40 109.76 1ggj s VAL 640 Ca -0.05 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 57.91 1ggj s VAL 640 Cb -0.01 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 1ggj s VAL 640 CO -0.05 -0.45 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.32 1ggj s THR 641 N -2.56 3.36 0.84 5.32 2.01 -1.26 0.81 115.64 124.15 1ggj s THR 641 Ca 0.23 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 1ggj s THR 641 Cb -0.03 -2.46 0.21 0.00 0.01 0.00 0.00 72.50 70.22 1ggj s THR 641 CO 0.09 0.49 0.67 0.00 -0.69 0.00 0.00 174.62 175.18 1ggj n ALA 642 N 3.92 -2.52 -0.17 7.40 0.00 0.11 -4.28 120.51 124.97 1ggj n ALA 642 Ca -0.18 -1.04 -0.08 0.00 0.00 0.00 0.00 53.44 52.13 1ggj n ALA 642 Cb 0.52 -0.08 0.01 0.00 0.00 0.00 0.00 19.45 19.90 1ggj n ALA 642 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ggj h ASP 643 N -2.36 0.68 -0.30 0.00 3.04 -1.14 -2.74 116.42 113.61 1ggj h ASP 643 Ca -0.26 -0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1ggj h ASP 643 Cb 0.83 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 1ggj h ASP 643 CO 0.17 0.68 0.00 -0.90 -2.04 0.00 0.00 179.24 177.14 1ggj n ASP 644 N -4.55 2.90 0.00 4.15 3.85 -1.26 -4.85 116.55 116.78 1ggj n ASP 644 Ca 0.01 -2.32 0.00 0.00 -0.71 0.00 0.00 54.79 51.77 1ggj n ASP 644 Cb 0.16 -0.49 0.00 0.00 -1.35 0.00 0.00 41.12 39.44 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 0.51 0.72 3.72 6.12 0.00 -1.03 -5.03 105.19 110.20 1ggj n GLY 645 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.53 2.79 -0.23 2.61 2.01 -1.26 -4.67 115.64 114.35 1ggj s THR 646 Ca 0.00 0.58 -0.22 0.00 0.31 0.00 0.00 61.69 62.36 1ggj s THR 646 Cb 0.00 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1ggj s THR 646 CO 0.00 0.05 0.71 -0.69 -0.69 0.00 0.00 174.62 174.01 1ggj s VAL 647 N 0.90 4.94 -0.29 3.82 1.01 -1.26 0.04 120.40 129.56 1ggj s VAL 647 Ca 0.67 1.33 -0.08 0.00 0.00 0.00 0.00 61.98 63.89 1ggj s VAL 647 Cb -0.42 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1ggj s VAL 647 CO 0.33 0.02 0.10 -0.76 0.00 0.00 0.00 175.10 174.79 1ggj s LEU 648 N 2.42 3.84 0.00 3.92 1.02 0.24 -4.97 118.68 125.15 1ggj s LEU 648 Ca 0.31 -0.51 -0.30 0.00 0.02 0.00 0.00 54.13 53.64 1ggj s LEU 648 Cb -0.16 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 1ggj s LEU 648 CO 0.09 -0.15 1.07 -2.16 0.02 0.00 0.00 176.35 175.22 1ggj s PRO 649 N 1.57 4.49 -0.15 1.29 0.04 -1.26 -0.38 135.00 140.60 1ggj s PRO 649 Ca 0.04 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1ggj s PRO 649 Cb -0.17 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 1ggj s PRO 649 CO 0.04 -0.18 0.62 0.42 0.04 0.00 0.00 177.00 177.94 1ggj s ILE 650 N 1.26 5.06 0.01 0.56 1.01 0.59 -4.76 121.20 124.93 1ggj s ILE 650 Ca 0.54 1.20 -0.17 0.00 0.00 0.00 0.00 60.65 62.23 1ggj s ILE 650 Cb -0.24 -3.94 -0.35 0.00 0.01 0.00 0.00 42.46 37.94 1ggj s ILE 650 CO 0.27 0.19 0.96 0.00 0.00 0.00 0.00 174.94 176.35 1ggj h ALA 651 N 7.14 -0.13 -2.83 9.38 0.00 -1.23 -3.41 119.26 128.18 1ggj h ALA 651 Ca -0.36 -0.85 0.09 0.00 0.00 0.00 0.00 54.91 53.79 1ggj h ALA 651 Cb 1.16 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1ggj h ALA 651 CO 0.77 0.66 0.30 0.00 0.00 0.00 0.00 179.25 180.98 1ggj s ALA 652 N -2.57 -1.30 0.60 0.00 0.00 -1.21 -5.05 121.76 112.23 1ggj s ALA 652 Ca -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 1ggj s ALA 652 Cb 0.04 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.99 1ggj s ALA 652 CO 0.92 -1.04 0.85 0.95 0.00 0.00 0.00 175.76 177.45 1ggj s THR 653 N -3.62 2.53 0.38 0.00 -4.23 -1.26 -2.57 115.64 106.87 1ggj s THR 653 Ca 0.12 -0.55 0.05 0.00 -1.18 0.00 0.00 61.69 60.13 1ggj s THR 653 Cb -0.05 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 71.07 1ggj s THR 653 CO 0.06 0.00 2.02 -0.26 -0.54 0.00 0.00 174.62 175.90 1ggj h PHE 654 N -0.15 0.63 0.00 3.99 0.05 -1.55 -2.10 116.94 117.81 1ggj h PHE 654 Ca -0.42 0.01 -0.06 0.00 3.82 0.00 0.00 57.97 61.32 1ggj h PHE 654 Cb 1.30 -0.21 -0.01 0.00 2.00 0.00 0.00 35.95 39.03 1ggj h PHE 654 CO 0.33 0.42 -0.97 0.00 -0.18 0.00 0.00 178.31 177.91 1ggj h ALA 655 N 1.66 0.61 -0.03 2.45 0.00 -1.91 -3.33 119.26 118.71 1ggj h ALA 655 Ca 0.18 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1ggj h ALA 655 Cb -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ggj h ALA 655 CO -0.03 0.31 -0.53 0.78 0.00 0.00 0.00 179.25 179.78 1ggj h GLY 656 N 3.88 0.10 -6.33 0.00 0.00 -1.76 -3.37 103.07 95.59 1ggj h GLY 656 Ca -0.05 -0.11 -0.55 0.00 0.00 0.00 0.00 47.33 46.62 1ggj h GLY 656 CO 0.02 0.10 -0.91 0.00 0.00 0.00 0.00 176.54 175.75 1ggj s ALA 657 N -3.85 0.99 1.11 3.60 0.00 -0.92 -4.85 121.76 117.85 1ggj s ALA 657 Ca -0.03 -2.12 -0.12 0.00 0.00 0.00 0.00 51.96 49.69 1ggj s ALA 657 Cb 0.13 -1.68 0.25 0.00 0.00 0.00 0.00 23.12 21.82 1ggj s ALA 657 CO 0.76 -2.03 1.06 -1.25 0.00 0.00 0.00 175.76 174.30 1ggj s PRO 658 N 0.40 -0.48 0.54 0.00 0.04 -1.25 -4.85 135.00 129.40 1ggj s PRO 658 Ca 0.29 1.03 0.25 0.00 0.04 0.00 0.00 61.00 62.61 1ggj s PRO 658 Cb -0.03 -1.59 1.54 0.00 0.04 0.00 0.00 34.50 34.46 1ggj s PRO 658 CO -0.14 -3.49 2.15 0.66 0.04 0.00 0.00 177.00 176.23 1ggj h SER 659 N -2.46 0.00 -0.99 6.66 4.64 -1.86 -2.22 113.55 117.32 1ggj h SER 659 Ca -0.57 0.00 0.36 0.00 -0.47 0.00 0.00 61.79 61.11 1ggj h SER 659 Cb 1.32 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.24 1ggj h SER 659 CO 0.48 0.06 0.50 -0.07 -0.87 0.00 0.00 176.83 176.93 1ggj h LEU 660 N 0.00 0.33 -0.53 5.97 4.07 -1.95 0.75 115.31 123.95 1ggj h LEU 660 Ca -0.00 0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1ggj h LEU 660 Cb 0.15 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1ggj h LEU 660 CO 0.01 -0.30 -0.04 0.35 -1.08 0.00 0.00 178.44 177.38 1ggj n THR 661 N -5.19 0.00 -4.58 0.22 -2.24 -0.83 -4.94 114.28 96.72 1ggj n THR 661 Ca 0.34 -0.14 -0.27 0.00 -2.27 0.00 0.00 64.05 61.71 1ggj n THR 661 Cb 1.10 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.14 1.96 -0.17 2.28 -7.23 0.26 -4.93 120.40 110.42 1ggj s VAL 662 Ca 0.38 -2.05 0.22 0.00 -1.81 0.00 0.00 61.98 58.72 1ggj s VAL 662 Cb 0.21 -2.88 -0.23 0.00 0.56 0.00 0.00 36.38 34.04 1ggj s VAL 662 CO 0.39 -0.06 0.68 0.47 -0.31 0.00 0.00 175.10 176.27 1ggj n ASP 663 N -0.89 0.30 -3.51 4.85 9.92 0.20 -4.98 116.55 122.45 1ggj n ASP 663 Ca -0.05 0.01 -0.11 0.00 -0.53 0.00 0.00 54.79 54.12 1ggj n ASP 663 Cb 0.66 1.48 -0.02 0.00 -0.64 0.00 0.00 41.12 42.60 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 -3.43 -1.54 -0.07 2.24 0.00 -1.16 -4.15 121.76 113.64 1ggj s ALA 664 Ca -0.04 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1ggj s ALA 664 Cb 0.13 0.86 0.01 0.00 0.00 0.00 0.00 23.12 24.12 1ggj s ALA 664 CO 0.87 -0.82 -0.15 0.08 0.00 0.00 0.00 175.76 175.75 1ggj s VAL 665 N -3.75 1.32 -0.12 0.00 1.01 -0.96 -0.51 120.40 117.40 1ggj s VAL 665 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1ggj s VAL 665 Cb -0.02 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1ggj s VAL 665 CO -0.09 0.40 -0.23 -0.63 0.00 0.00 0.00 175.10 174.55 1ggj s ILE 666 N 0.62 2.03 -0.38 2.22 1.01 0.43 -0.57 121.20 126.57 1ggj s ILE 666 Ca -0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 1ggj s ILE 666 Cb -0.16 -1.78 0.10 0.00 0.01 0.00 0.00 42.46 40.63 1ggj s ILE 666 CO 0.05 0.55 0.15 -0.69 0.00 0.00 0.00 174.94 174.99 1ggj s VAL 667 N 0.57 3.15 0.68 2.92 1.01 -0.10 -1.34 120.40 127.28 1ggj s VAL 667 Ca -0.13 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 59.79 1ggj s VAL 667 Cb -0.17 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1ggj s VAL 667 CO 0.04 -0.55 1.09 -2.16 0.00 0.00 0.00 175.10 173.51 1ggj s PRO 668 N 1.15 2.80 0.87 2.72 0.04 -1.26 -2.16 135.00 139.16 1ggj s PRO 668 Ca 0.06 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.20 1ggj s PRO 668 Cb -0.22 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.58 1ggj s PRO 668 CO -0.04 -1.23 0.63 0.00 0.04 0.00 0.00 177.00 176.40 1ggj n GLY 670 N -2.97 0.36 3.50 0.00 0.00 -1.26 -2.93 105.19 101.89 1ggj n GLY 670 Ca 0.09 -1.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 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 6.94 0.40 1.61 3.04 -1.08 -4.82 114.94 117.03 1ggj s ASN 671 Ca 0.00 -2.68 0.28 0.00 0.04 0.00 0.00 52.86 50.50 1ggj s ASN 671 Cb 0.00 -2.46 1.38 0.00 -1.54 0.00 0.00 41.25 38.63 1ggj s ASN 671 CO 0.00 -0.93 1.86 0.40 -3.04 0.00 0.00 177.10 175.38 1ggj h ILE 672 N 5.13 0.00 0.00 -5.21 1.08 -1.92 -2.31 117.51 114.28 1ggj h ILE 672 Ca 0.34 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.60 1ggj h ILE 672 Cb 0.89 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1ggj h ILE 672 CO 1.31 0.00 -0.27 0.00 -0.69 0.00 0.00 178.15 178.49 1ggj h ALA 673 N 2.08 1.33 -0.35 1.87 0.00 -1.97 0.84 119.26 123.06 1ggj h ALA 673 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1ggj h ALA 673 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ggj h ALA 673 CO 0.00 0.34 -0.21 0.22 0.00 0.00 0.00 179.25 179.60 1ggj h ASP 674 N 0.00 0.68 -0.01 0.00 -0.00 -1.83 -3.26 116.42 112.00 1ggj h ASP 674 Ca -0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 57.03 56.79 1ggj h ASP 674 Cb 0.56 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 39.71 1ggj h ASP 674 CO 0.04 0.89 -0.00 2.30 -0.00 0.00 0.00 179.24 182.46 1ggj n ILE 675 N -4.12 0.00 -0.37 2.25 -5.35 -0.95 -4.69 119.36 106.13 1ggj n ILE 675 Ca 0.00 -0.50 0.03 0.00 -0.27 0.00 0.00 62.75 62.02 1ggj n ILE 675 Cb 0.41 1.14 0.18 0.00 -1.74 0.00 0.00 39.64 39.64 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 1.34 1.41 -0.48 -1.28 0.00 0.66 -2.30 119.26 118.60 1ggj h ALA 676 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1ggj h ALA 676 Cb 0.28 -0.29 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1ggj h ALA 676 CO 0.00 0.40 0.11 -0.25 0.00 0.00 0.00 179.25 179.51 1ggj n ASP 677 N -4.52 3.51 -4.54 0.00 9.92 -1.26 -4.88 116.55 114.77 1ggj n ASP 677 Ca 0.16 -3.43 -0.43 0.00 -0.53 0.00 0.00 54.79 50.56 1ggj n ASP 677 Cb 0.21 -0.66 -0.06 0.00 -0.64 0.00 0.00 41.12 39.97 1ggj n ASP 677 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1ggj s ASN 678 N -1.92 6.39 0.21 -2.24 3.84 -0.87 -4.95 114.94 115.42 1ggj s ASN 678 Ca 0.48 -0.12 -0.11 0.00 0.21 0.00 0.00 52.86 53.31 1ggj s ASN 678 Cb 0.40 -2.35 0.29 0.00 -0.55 0.00 0.00 41.25 39.04 1ggj s ASN 678 CO 0.06 -0.81 1.65 1.23 -2.79 0.00 0.00 177.10 176.45 1ggj h GLY 679 N 9.85 0.61 0.99 1.21 0.00 -1.91 0.47 103.07 114.29 1ggj h GLY 679 Ca -0.25 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ggj h GLY 679 CO 0.92 -0.22 0.33 -0.55 0.00 0.00 0.00 176.54 177.02 1ggj h ASP 680 N 0.08 0.66 0.05 0.19 3.45 -1.96 0.31 116.42 119.19 1ggj h ASP 680 Ca 0.32 -0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 1ggj h ASP 680 Cb 0.52 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1ggj h ASP 680 CO -0.57 0.52 -0.02 0.00 -1.57 0.00 0.00 179.24 177.60 1ggj h ALA 681 N 1.16 -0.07 -0.88 3.45 0.00 -1.35 0.71 119.26 122.28 1ggj h ALA 681 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ggj h ALA 681 Cb -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1ggj h ALA 681 CO -0.04 -0.51 0.49 -0.91 0.00 0.00 0.00 179.25 178.28 1ggj h ASN 682 N -0.12 1.10 -0.56 0.00 2.35 -0.75 -2.48 115.58 115.12 1ggj h ASN 682 Ca -0.01 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1ggj h ASN 682 Cb 0.10 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1ggj h ASN 682 CO 0.01 0.88 0.08 0.22 -1.65 0.00 0.00 177.43 176.97 1ggj h TYR 683 N 1.23 1.03 -0.39 1.19 5.03 -0.19 -2.11 116.97 122.76 1ggj h TYR 683 Ca 0.31 -0.13 0.08 0.00 2.58 0.00 0.00 58.73 61.56 1ggj h TYR 683 Cb 0.02 -0.29 -0.09 0.00 1.55 0.00 0.00 36.73 37.93 1ggj h TYR 683 CO 0.01 0.88 -0.33 -0.92 -1.32 0.00 0.00 178.16 176.48 1ggj h TYR 684 N 0.91 -0.92 -0.52 -3.82 5.03 -0.39 0.21 116.97 117.47 1ggj h TYR 684 Ca 0.18 0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.46 1ggj h TYR 684 Cb 0.42 0.46 -0.02 0.00 1.55 0.00 0.00 36.73 39.14 1ggj h TYR 684 CO 0.03 -0.39 -0.04 -0.07 -1.32 0.00 0.00 178.16 176.37 1ggj h LEU 685 N -0.26 0.93 -0.34 2.82 -0.00 -1.39 -2.09 115.31 114.98 1ggj h LEU 685 Ca 0.17 -0.33 0.01 0.00 -0.00 0.00 0.00 57.88 57.73 1ggj h LEU 685 Cb 0.54 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 1ggj h LEU 685 CO -0.53 1.04 0.21 0.24 -0.00 0.00 0.00 178.44 179.39 1ggj h MET 686 N 0.81 0.42 -0.18 1.13 2.86 -0.53 0.66 114.93 120.09 1ggj h MET 686 Ca 0.14 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1ggj h MET 686 Cb 0.59 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1ggj h MET 686 CO 0.04 0.27 0.08 1.49 1.06 0.00 0.00 176.91 179.85 1ggj h GLU 687 N 0.43 0.26 -0.78 1.72 4.81 -0.62 -0.48 114.58 119.92 1ggj h GLU 687 Ca 0.13 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1ggj h GLU 687 Cb -0.01 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1ggj h GLU 687 CO -0.05 0.32 0.51 0.00 -0.73 0.00 0.00 179.01 179.05 1ggj h ALA 688 N 0.93 1.01 -0.13 2.92 0.00 -1.11 0.51 119.26 123.39 1ggj h ALA 688 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ggj h ALA 688 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ggj h ALA 688 CO -0.01 0.35 0.05 -0.92 0.00 0.00 0.00 179.25 178.72 1ggj h TYR 689 N 1.01 0.20 -0.65 0.00 3.20 0.59 -1.77 116.97 119.55 1ggj h TYR 689 Ca 0.30 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.17 1ggj h TYR 689 Cb -0.04 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1ggj h TYR 689 CO -0.03 0.29 0.43 -0.22 -1.64 0.00 0.00 178.16 176.99 1ggj h LYS 690 N 0.06 0.83 -0.39 1.82 3.64 -0.68 -1.36 116.57 120.50 1ggj h LYS 690 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ggj h LYS 690 Cb 0.17 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1ggj h LYS 690 CO -0.00 0.55 0.00 0.72 -2.27 0.00 0.00 179.45 178.45 1ggj n HIS 691 N -4.44 0.34 -2.57 1.91 8.25 0.13 -4.88 115.22 113.96 1ggj n HIS 691 Ca 0.07 -0.15 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 1ggj n HIS 691 Cb 0.06 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 0.10 -2.06 -4.84 2.41 4.77 -0.51 -4.87 117.00 112.01 1ggj n LEU 692 Ca 0.07 -0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.57 1ggj n LEU 692 Cb 0.26 -2.28 -0.06 0.00 -2.33 0.00 0.00 43.42 39.01 1ggj n LEU 692 CO 0.06 0.02 0.22 -0.54 -1.33 0.00 0.00 177.39 175.82 1ggj s LYS 693 N -5.09 4.01 0.23 3.23 1.02 -0.68 0.07 119.74 122.53 1ggj s LYS 693 Ca 0.12 0.52 -0.31 0.00 0.02 0.00 0.00 55.97 56.32 1ggj s LYS 693 Cb -0.05 -3.03 -0.13 0.00 -0.52 0.00 0.00 37.83 34.09 1ggj s LYS 693 CO 0.15 0.54 1.40 -2.30 -0.92 0.00 0.00 175.35 174.22 1ggj n PRO 694 N 1.10 2.01 -4.77 -1.68 -0.02 -1.26 -4.64 135.00 125.74 1ggj n PRO 694 Ca -0.07 0.71 -0.26 0.00 -2.02 0.00 0.00 63.50 61.86 1ggj n PRO 694 Cb 0.52 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.46 1ggj n PRO 694 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ggj s ILE 695 N -0.04 1.37 -0.09 4.25 1.01 -1.06 -2.26 121.20 124.38 1ggj s ILE 695 Ca 0.69 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1ggj s ILE 695 Cb -0.66 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1ggj s ILE 695 CO 0.49 0.40 -0.16 0.00 0.00 0.00 0.00 174.94 175.67 1ggj s ALA 696 N 0.35 1.64 -0.07 9.38 0.00 0.27 -0.63 121.76 132.69 1ggj s ALA 696 Ca -0.10 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1ggj s ALA 696 Cb -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1ggj s ALA 696 CO 0.04 0.08 -0.20 -0.51 0.00 0.00 0.00 175.76 175.17 1ggj s LEU 697 N 0.72 1.93 -0.03 0.00 1.43 0.18 -0.93 118.68 121.98 1ggj s LEU 697 Ca -0.12 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1ggj s LEU 697 Cb -0.16 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 1ggj s LEU 697 CO 0.03 0.14 -0.26 0.00 0.23 0.00 0.00 176.35 176.49 1ggj s ALA 698 N 0.29 2.17 0.00 4.21 0.00 -0.92 -3.01 121.76 124.50 1ggj s ALA 698 Ca -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1ggj s ALA 698 Cb -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1ggj s ALA 698 CO 0.05 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1ggj n GLY 699 N 2.52 3.50 0.32 0.00 0.00 0.25 -1.56 105.19 110.22 1ggj n GLY 699 Ca -0.16 0.07 0.20 0.00 0.00 0.00 0.00 46.02 46.12 1ggj n GLY 699 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ggj h ASP 700 N 0.00 0.00 -0.09 1.61 3.45 -1.89 -2.06 116.42 117.44 1ggj h ASP 700 Ca 0.00 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.49 1ggj h ASP 700 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1ggj h ASP 700 CO 0.00 0.00 0.13 0.00 -1.57 0.00 0.00 179.24 177.80 1ggj h ALA 701 N 2.00 1.56 -0.07 3.45 0.00 -1.57 -2.07 119.26 122.56 1ggj h ALA 701 Ca -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ggj h ALA 701 Cb 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ggj h ALA 701 CO 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 179.25 179.18 1ggj h ARG 702 N 0.00 0.00 -0.15 0.00 3.08 -1.55 0.84 114.38 116.60 1ggj h ARG 702 Ca 0.04 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1ggj h ARG 702 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1ggj h ARG 702 CO -0.00 0.00 0.14 0.87 -1.07 0.00 0.00 179.97 179.91 1ggj h LYS 703 N 0.00 0.00 0.00 0.04 1.57 -1.61 0.62 116.57 117.18 1ggj h LYS 703 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1ggj h LYS 703 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ggj h LYS 703 CO -0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 1ggj n PHE 704 N -4.04 0.81 -0.06 -1.35 3.01 0.29 -2.91 117.46 113.22 1ggj n PHE 704 Ca 0.01 0.36 0.17 0.00 1.01 0.00 0.00 57.45 58.99 1ggj n PHE 704 Cb 0.26 -1.08 0.59 0.00 -0.01 0.00 0.00 39.48 39.24 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 0.21 -0.57 -1.08 1.57 -1.04 -2.08 116.57 113.57 1ggj h LYS 705 Ca 0.00 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1ggj h LYS 705 Cb 0.22 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 1ggj h LYS 705 CO 0.00 0.14 0.26 0.00 -0.57 0.00 0.00 179.45 179.28 1ggj h ALA 706 N 1.71 0.74 -0.00 3.86 0.00 -1.75 -0.62 119.26 123.19 1ggj h ALA 706 Ca 0.28 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1ggj h ALA 706 Cb 0.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ggj h ALA 706 CO -0.05 -0.11 -0.27 0.00 0.00 0.00 0.00 179.25 178.82 1ggj h THR 707 N 0.49 1.20 -0.57 0.00 1.03 -1.61 -1.20 112.91 112.24 1ggj h THR 707 Ca 0.27 -0.93 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 1ggj h THR 707 Cb 0.23 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 1ggj h THR 707 CO -0.22 0.27 0.00 2.30 -0.01 0.00 0.00 175.52 177.86 1ggj n ILE 708 N -4.22 2.27 -3.84 0.00 -5.35 -0.96 -4.94 119.36 102.32 1ggj n ILE 708 Ca -0.02 -1.23 -0.31 0.00 -0.27 0.00 0.00 62.75 60.91 1ggj n ILE 708 Cb 0.32 -0.15 0.01 0.00 -1.74 0.00 0.00 39.64 38.08 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 0.76 -1.88 -3.86 6.28 4.01 -0.46 -4.97 118.16 118.05 1ggj n LYS 709 Ca 0.25 0.38 -0.35 0.00 -0.51 0.00 0.00 58.31 58.09 1ggj n LYS 709 Cb 1.03 -4.07 -0.05 0.00 -0.51 0.00 0.00 35.03 31.43 1ggj n LYS 709 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1ggj s ILE 710 N -3.67 5.42 0.84 -0.18 -1.09 -0.34 -5.02 121.20 117.16 1ggj s ILE 710 Ca 0.29 0.04 -0.10 0.00 -2.23 0.00 0.00 60.65 58.65 1ggj s ILE 710 Cb -0.12 -3.51 0.10 0.00 -1.58 0.00 0.00 42.46 37.35 1ggj s ILE 710 CO 0.89 0.43 1.11 0.00 -1.23 0.00 0.00 174.94 176.14 1ggj s ALA 711 N -1.23 1.90 0.31 9.38 0.00 -1.26 -4.70 121.76 126.15 1ggj s ALA 711 Ca 0.24 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1ggj s ALA 711 Cb -0.13 -3.34 0.50 0.00 0.00 0.00 0.00 23.12 20.16 1ggj s ALA 711 CO 0.14 -2.20 1.77 -0.44 0.00 0.00 0.00 175.76 175.03 1ggj h ASP 712 N -1.45 0.41 -0.18 0.00 3.32 -2.00 -2.48 116.42 114.04 1ggj h ASP 712 Ca -0.44 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.45 1ggj h ASP 712 Cb 1.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1ggj h ASP 712 CO 0.48 0.64 0.01 0.06 -1.72 0.00 0.00 179.24 178.70 1ggj h GLN 713 N 0.37 0.43 0.00 3.56 3.07 -2.06 -3.49 115.11 117.00 1ggj h GLN 713 Ca 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1ggj h GLN 713 Cb 0.59 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.09 1ggj h GLN 713 CO 0.04 0.45 0.00 0.41 0.09 0.00 0.00 178.83 179.82 1ggj n GLY 714 N -1.00 1.02 3.35 0.06 0.00 -0.93 -5.10 105.19 102.59 1ggj n GLY 714 Ca 0.01 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 1ggj n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggj s GLU 715 N -1.23 0.67 0.12 1.61 -1.05 -1.26 -4.70 118.70 112.86 1ggj s GLU 715 Ca 0.00 0.32 -0.33 0.00 -0.15 0.00 0.00 54.97 54.81 1ggj s GLU 715 Cb 0.00 0.32 -0.13 0.00 -0.44 0.00 0.00 34.13 33.88 1ggj s GLU 715 CO 0.00 -0.15 1.70 0.39 0.95 0.00 0.00 175.26 178.16 1ggj n GLU 716 N 2.01 2.37 0.00 -4.83 -0.58 -1.26 -1.40 120.64 116.95 1ggj n GLU 716 Ca -0.17 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 1ggj n GLU 716 Cb 0.57 -2.68 0.00 0.00 -0.57 0.00 0.00 31.44 28.76 1ggj n GLU 716 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ggj n GLY 717 N 3.83 1.15 3.13 0.62 0.00 -1.26 -4.85 105.19 107.81 1ggj n GLY 717 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.15 2.75 -0.07 -0.61 -1.09 -0.49 -2.57 121.20 116.97 1ggj s ILE 718 Ca 0.00 -1.59 -0.21 0.00 -2.23 0.00 0.00 60.65 56.62 1ggj s ILE 718 Cb 0.00 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 1ggj s ILE 718 CO 0.00 -0.18 0.60 -0.69 -1.23 0.00 0.00 174.94 173.44 1ggj s VAL 719 N 1.17 5.07 -0.00 2.92 1.01 0.20 -4.51 120.40 126.26 1ggj s VAL 719 Ca -0.04 1.24 -0.08 0.00 0.00 0.00 0.00 61.98 63.10 1ggj s VAL 719 Cb -0.20 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1ggj s VAL 719 CO -0.03 0.31 0.15 -1.83 0.00 0.00 0.00 175.10 173.70 1ggj s GLU 720 N 0.53 0.49 0.00 2.72 -1.05 -1.26 0.47 118.70 120.61 1ggj s GLU 720 Ca 0.32 -0.36 -0.30 0.00 -0.15 0.00 0.00 54.97 54.48 1ggj s GLU 720 Cb -0.17 0.20 0.11 0.00 -0.44 0.00 0.00 34.13 33.84 1ggj s GLU 720 CO 0.15 -0.12 1.20 0.00 0.95 0.00 0.00 175.26 177.45 1ggj s ALA 721 N -1.33 -2.09 0.44 -0.84 0.00 -1.16 -5.01 121.76 111.76 1ggj s ALA 721 Ca -0.14 0.68 0.18 0.00 0.00 0.00 0.00 51.96 52.68 1ggj s ALA 721 Cb -0.07 0.37 1.12 0.00 0.00 0.00 0.00 23.12 24.54 1ggj s ALA 721 CO 0.02 -1.00 2.01 -0.44 0.00 0.00 0.00 175.76 176.35 1ggj h ASP 722 N 2.00 0.00 -5.13 0.00 3.32 -1.91 0.73 116.42 115.43 1ggj h ASP 722 Ca -0.27 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1ggj h ASP 722 Cb 1.21 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.62 1ggj h ASP 722 CO 0.27 0.17 -0.23 -0.94 -1.72 0.00 0.00 179.24 176.80 1ggj s SER 723 N -6.77 -0.04 -0.91 6.45 1.04 -1.26 -2.80 113.70 109.41 1ggj s SER 723 Ca -0.04 -0.52 -0.23 0.00 0.48 0.00 0.00 55.95 55.64 1ggj s SER 723 Cb 0.15 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.74 1ggj s SER 723 CO 0.67 -0.80 1.31 0.00 0.98 0.00 0.00 173.24 175.39 1ggj s ALA 724 N -3.85 2.87 0.00 5.32 0.00 -1.26 -4.74 121.76 120.11 1ggj s ALA 724 Ca 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.90 1ggj s ALA 724 Cb 0.03 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.83 1ggj s ALA 724 CO -0.10 -3.35 0.00 -3.47 0.00 0.00 0.00 175.76 168.84 1ggj n ASP 725 N 8.47 -0.18 0.00 0.00 2.03 -1.26 -4.47 116.55 121.14 1ggj n ASP 725 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1ggj n ASP 725 Cb 0.50 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1ggj n ASP 725 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ggj n GLY 726 N 2.49 -1.75 0.54 0.27 0.00 -1.26 -4.82 105.19 100.66 1ggj n GLY 726 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 46.02 46.73 1ggj n GLY 726 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggj n SER 727 N -0.25 2.45 -0.05 1.61 3.41 -1.26 -4.51 113.62 115.03 1ggj n SER 727 Ca 0.00 -1.75 -0.10 0.00 -0.26 0.00 0.00 58.87 56.76 1ggj n SER 727 Cb 0.00 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1ggj n SER 727 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ggj h PHE 728 N 2.06 0.28 -0.25 7.33 3.04 -1.89 -1.60 116.94 125.91 1ggj h PHE 728 Ca 0.00 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 1ggj h PHE 728 Cb 0.60 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 1ggj h PHE 728 CO 0.12 0.22 -0.55 0.52 -2.02 0.00 0.00 178.31 176.60 1ggj h MET 729 N 0.27 0.76 -0.53 1.11 2.86 -1.91 -2.23 114.93 115.25 1ggj h MET 729 Ca 0.08 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1ggj h MET 729 Cb 0.01 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1ggj h MET 729 CO -0.01 1.10 0.35 -0.44 1.06 0.00 0.00 176.91 178.96 1ggj h ASP 730 N 0.58 0.61 -0.53 1.22 3.32 -1.81 0.72 116.42 120.52 1ggj h ASP 730 Ca 0.01 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1ggj h ASP 730 Cb 1.13 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 1ggj h ASP 730 CO 0.11 0.45 0.29 -0.33 -1.72 0.00 0.00 179.24 178.04 1ggj h GLU 731 N 0.72 0.54 -0.31 3.56 5.08 -1.21 -0.73 114.58 122.22 1ggj h GLU 731 Ca 0.19 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1ggj h GLU 731 Cb -0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1ggj h GLU 731 CO -0.04 0.36 0.02 1.25 -1.00 0.00 0.00 179.01 179.60 1ggj h LEU 732 N 0.56 0.52 -1.19 1.33 7.12 -0.72 -1.89 115.31 121.03 1ggj h LEU 732 Ca 0.23 -0.29 -0.06 0.00 0.13 0.00 0.00 57.88 57.90 1ggj h LEU 732 Cb 0.11 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 1ggj h LEU 732 CO -0.15 0.68 -0.07 -0.07 -0.13 0.00 0.00 178.44 178.70 1ggj h LEU 733 N 0.34 0.45 -0.53 2.25 -0.00 -0.77 -0.38 115.31 116.66 1ggj h LEU 733 Ca 0.09 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 1ggj h LEU 733 Cb 0.39 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 1ggj h LEU 733 CO 0.01 0.57 -0.09 0.74 -0.00 0.00 0.00 178.44 179.67 1ggj h THR 734 N 0.44 1.27 -0.17 0.22 2.02 -1.00 0.24 112.91 115.93 1ggj h THR 734 Ca 0.09 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1ggj h THR 734 Cb 0.41 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1ggj h THR 734 CO 0.02 0.43 0.06 -0.07 0.37 0.00 0.00 175.52 176.33 1ggj h LEU 735 N 0.87 0.25 -1.09 2.58 3.38 -0.65 -2.75 115.31 117.89 1ggj h LEU 735 Ca 0.14 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1ggj h LEU 735 Cb 0.65 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 1ggj h LEU 735 CO 0.04 0.38 0.61 0.24 0.09 0.00 0.00 178.44 179.81 1ggj h MET 736 N 0.10 0.91 0.00 1.13 2.86 -0.90 -0.02 114.93 119.02 1ggj h MET 736 Ca 0.06 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1ggj h MET 736 Cb 0.22 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1ggj h MET 736 CO -0.00 0.60 -0.10 0.00 1.06 0.00 0.00 176.91 178.48 1ggj h ALA 737 N 1.55 1.48 -0.13 6.32 0.00 -0.66 0.67 119.26 128.48 1ggj h ALA 737 Ca 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1ggj h ALA 737 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ggj h ALA 737 CO -0.23 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1ggj n ALA 738 N -2.36 2.53 0.00 0.00 0.00 -0.05 -3.79 120.51 116.84 1ggj n ALA 738 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1ggj n ALA 738 Cb 0.19 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.23 0.00 -4.07 0.00 -0.00 0.23 -4.78 115.22 106.82 1ggj n HIS 739 Ca 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.77 1ggj n HIS 739 Cb 0.32 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.20 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 0.56 -1.02 1.57 1.81 -1.26 -4.71 118.95 115.89 1ggj s ARG 740 Ca 0.00 -0.86 -0.17 0.00 -1.72 0.00 0.00 55.73 52.98 1ggj s ARG 740 Cb 0.00 -0.22 0.14 0.00 -0.45 0.00 0.00 34.95 34.42 1ggj s ARG 740 CO 0.00 0.02 1.25 0.08 -0.68 0.00 0.00 175.30 175.97 1ggj s VAL 741 N -1.87 4.76 0.37 3.52 1.01 0.11 -4.87 120.40 123.43 1ggj s VAL 741 Ca -0.06 -1.85 0.05 0.00 0.00 0.00 0.00 61.98 60.12 1ggj s VAL 741 Cb -0.07 -4.84 0.28 0.00 0.00 0.00 0.00 36.38 31.75 1ggj s VAL 741 CO -0.01 -1.58 1.99 -0.50 0.00 0.00 0.00 175.10 175.01 1ggj h TRP 742 N 8.36 0.73 0.00 5.22 -0.00 -1.93 -2.55 115.95 125.79 1ggj h TRP 742 Ca 0.21 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.12 1ggj h TRP 742 Cb 0.98 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 29.89 1ggj h TRP 742 CO 1.16 0.42 -0.01 0.66 -0.00 0.00 0.00 178.44 180.67 1ggj h SER 743 N 0.75 0.00 0.96 -3.49 4.64 -1.95 -2.52 113.55 111.93 1ggj h SER 743 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1ggj h SER 743 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1ggj h SER 743 CO -0.07 0.01 0.00 -1.14 -0.87 0.00 0.00 176.83 174.76 1ggj n ARG 744 N -3.15 0.16 -0.12 4.77 0.63 -0.96 -4.24 116.66 113.76 1ggj n ARG 744 Ca -0.02 0.28 -0.07 0.00 -0.92 0.00 0.00 57.85 57.12 1ggj n ARG 744 Cb 0.16 -1.75 -0.01 0.00 0.45 0.00 0.00 32.46 31.30 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 0.23 -0.83 5.15 2.04 -1.63 -0.45 117.51 122.03 1ggj h ILE 745 Ca 0.00 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.10 1ggj h ILE 745 Cb 0.48 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1ggj h ILE 745 CO 0.00 0.00 0.63 -0.65 0.00 0.00 0.00 178.15 178.13 1ggj h PRO 746 N -0.25 0.00 0.00 2.37 0.11 -1.85 -1.15 132.00 131.23 1ggj h PRO 746 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ggj h PRO 746 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1ggj h PRO 746 CO -0.54 0.00 -0.43 1.63 -0.21 0.00 0.00 178.00 178.45 1ggj n LYS 747 N -4.14 0.27 0.20 1.05 5.02 -0.18 -4.25 118.16 116.13 1ggj n LYS 747 Ca 0.17 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1ggj n LYS 747 Cb 0.93 -1.72 0.35 0.00 -0.02 0.00 0.00 35.03 34.57 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 0.00 -0.83 -0.18 3.07 -1.13 -3.28 117.51 115.16 1ggj h ILE 748 Ca 0.00 -0.74 0.11 0.00 1.55 0.00 0.00 64.86 65.78 1ggj h ILE 748 Cb 0.74 1.72 -0.08 0.00 -0.27 0.00 0.00 36.82 38.93 1ggj h ILE 748 CO 0.00 0.00 0.46 0.44 -1.05 0.00 0.00 178.15 178.00 1ggj h ASP 749 N 0.00 0.64 0.62 2.16 5.19 -1.74 -1.84 116.42 121.45 1ggj h ASP 749 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1ggj h ASP 749 Cb 0.80 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1ggj h ASP 749 CO 0.00 0.35 0.00 0.29 -3.12 0.00 0.00 179.24 176.76 1ggj n LYS 750 N -4.77 0.00 -3.08 3.56 4.01 -1.24 -4.73 118.16 111.91 1ggj n LYS 750 Ca 0.14 0.20 -0.40 0.00 -0.51 0.00 0.00 58.31 57.74 1ggj n LYS 750 Cb 0.31 -1.51 -0.05 0.00 -0.51 0.00 0.00 35.03 33.27 1ggj n LYS 750 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1ggj s ILE 751 N -3.00 5.01 -1.23 -0.18 2.07 -0.69 -4.97 121.20 118.20 1ggj s ILE 751 Ca 0.09 1.26 -0.20 0.00 -1.41 0.00 0.00 60.65 60.39 1ggj s ILE 751 Cb 0.12 -3.98 -0.02 0.00 0.13 0.00 0.00 42.46 38.71 1ggj s ILE 751 CO 0.33 0.11 1.87 -0.81 -1.91 0.00 0.00 174.94 174.52 1ggj n PRO 752 N 4.97 2.35 0.00 3.50 -0.04 -1.26 -5.06 135.00 139.45 1ggj n PRO 752 Ca -0.01 -2.79 0.00 0.00 -0.04 0.00 0.00 63.50 60.67 1ggj n PRO 752 Cb 0.50 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 1ggj n PRO 752 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46