#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggk n SER 28 N 0.00 0.10 -4.84 -2.24 3.41 -1.26 -4.94 113.62 103.85 1ggk n SER 28 Ca 0.00 -1.10 -0.22 0.00 -0.26 0.00 0.00 58.87 57.29 1ggk n SER 28 Cb 0.00 -2.56 -0.04 0.00 -0.26 0.00 0.00 64.21 61.35 1ggk n SER 28 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1ggk s LEU 29 N -7.11 3.36 0.87 1.04 0.05 -1.26 -5.09 118.68 110.55 1ggk s LEU 29 Ca 0.00 -0.78 -0.13 0.00 0.05 0.00 0.00 54.13 53.27 1ggk s LEU 29 Cb -0.00 -1.94 0.05 0.00 -2.05 0.00 0.00 46.19 42.25 1ggk s LEU 29 CO 0.93 -0.57 0.69 0.00 -0.55 0.00 0.00 176.35 176.84 1ggk n ALA 30 N -1.44 -1.64 -1.72 1.48 0.00 -1.26 -4.98 120.51 110.95 1ggk n ALA 30 Ca 0.02 -0.48 -0.34 0.00 0.00 0.00 0.00 53.44 52.64 1ggk n ALA 30 Cb 0.62 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ggk n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ggk s PRO 31 N -3.69 3.38 0.28 0.00 0.04 -1.26 -4.95 135.00 128.80 1ggk s PRO 31 Ca 0.63 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 1ggk s PRO 31 Cb -0.26 -2.03 0.44 0.00 0.04 0.00 0.00 34.50 32.70 1ggk s PRO 31 CO 0.61 -0.79 1.91 1.49 0.04 0.00 0.00 177.00 180.26 1ggk h GLU 32 N 0.96 1.10 0.00 4.56 4.81 -2.04 -2.52 114.58 121.45 1ggk h GLU 32 Ca -0.49 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1ggk h GLU 32 Cb 1.24 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1ggk h GLU 32 CO 0.57 0.73 0.00 -0.40 -0.73 0.00 0.00 179.01 179.18 1ggk n ASP 33 N -4.46 0.00 -1.23 1.04 5.68 -1.26 -4.88 116.55 111.43 1ggk n ASP 33 Ca 0.13 -0.29 -0.12 0.00 -0.50 0.00 0.00 54.79 54.01 1ggk n ASP 33 Cb 0.14 -0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 1ggk n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ggk n GLY 34 N 0.31 0.46 0.07 6.12 0.00 -0.95 -4.90 105.19 106.30 1ggk n GLY 34 Ca 0.12 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.90 1ggk n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggk n SER 35 N -0.24 0.21 0.20 1.61 3.41 -1.26 -3.18 113.62 114.38 1ggk n SER 35 Ca -0.14 -1.06 0.14 0.00 -0.26 0.00 0.00 58.87 57.55 1ggk n SER 35 Cb 0.53 -0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.90 1ggk n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1ggk h HIS 36 N 0.33 0.00 -4.02 7.33 2.07 -1.90 -3.46 115.15 115.51 1ggk h HIS 36 Ca 0.00 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 56.83 1ggk h HIS 36 Cb 0.07 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 29.83 1ggk h HIS 36 CO 0.00 0.00 -0.81 0.50 -3.07 0.00 0.00 177.93 174.55 1ggk s ARG 37 N -3.34 2.12 0.24 5.12 3.52 -1.19 -5.01 118.95 120.41 1ggk s ARG 37 Ca 0.06 -0.95 -0.23 0.00 -0.13 0.00 0.00 55.73 54.48 1ggk s ARG 37 Cb 0.08 -2.20 -0.09 0.00 -1.56 0.00 0.00 34.95 31.19 1ggk s ARG 37 CO 0.58 0.55 0.81 -1.25 -0.81 0.00 0.00 175.30 175.18 1ggk s PRO 38 N -1.30 4.44 0.42 5.12 0.04 -1.26 -4.97 135.00 137.48 1ggk s PRO 38 Ca 0.14 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.01 1ggk s PRO 38 Cb -0.10 -2.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 1ggk s PRO 38 CO 0.04 0.40 1.45 0.00 0.04 0.00 0.00 177.00 178.93 1ggk s ALA 39 N -1.47 3.38 -1.40 8.56 0.00 -1.26 -4.90 121.76 124.68 1ggk s ALA 39 Ca 0.44 1.50 -0.08 0.00 0.00 0.00 0.00 51.96 53.82 1ggk s ALA 39 Cb -0.19 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.35 1ggk s ALA 39 CO 0.23 -1.12 2.71 0.00 0.00 0.00 0.00 175.76 177.59 1ggk n ALA 40 N 0.10 7.16 -2.76 0.00 0.00 -1.26 -4.85 120.51 118.89 1ggk n ALA 40 Ca 0.03 -3.73 -0.10 0.00 0.00 0.00 0.00 53.44 49.65 1ggk n ALA 40 Cb 0.41 -3.03 -0.07 0.00 0.00 0.00 0.00 19.45 16.76 1ggk n ALA 40 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ggk s GLU 41 N 0.46 0.86 0.04 0.00 0.41 -1.25 -4.82 118.70 114.39 1ggk s GLU 41 Ca 0.62 -0.78 -0.32 0.00 -0.41 0.00 0.00 54.97 54.08 1ggk s GLU 41 Cb 0.19 0.36 -0.11 0.00 -1.78 0.00 0.00 34.13 32.79 1ggk s GLU 41 CO -0.08 -0.28 1.85 -2.30 -0.49 0.00 0.00 175.26 173.96 1ggk n PRO 42 N 0.14 2.54 -4.17 0.39 -0.02 -1.26 -4.99 135.00 127.63 1ggk n PRO 42 Ca -0.16 0.93 -0.17 0.00 -2.02 0.00 0.00 63.50 62.07 1ggk n PRO 42 Cb 0.62 -2.81 -0.12 0.00 -0.02 0.00 0.00 33.50 31.17 1ggk n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ggk s THR 43 N 3.35 0.92 0.76 3.45 -4.23 -1.13 -4.96 115.64 113.79 1ggk s THR 43 Ca 0.87 -1.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.13 1ggk s THR 43 Cb -0.56 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 72.44 1ggk s THR 43 CO 0.43 -0.21 1.10 -2.16 -0.54 0.00 0.00 174.62 173.24 1ggk s PRO 44 N -1.50 2.30 0.17 3.99 0.04 -1.26 -3.19 135.00 135.56 1ggk s PRO 44 Ca -0.03 1.23 -0.33 0.00 0.04 0.00 0.00 61.00 61.90 1ggk s PRO 44 Cb -0.09 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 1ggk s PRO 44 CO 0.01 -1.61 1.61 -2.30 0.04 0.00 0.00 177.00 174.74 1ggk n PRO 45 N -3.34 2.28 -0.07 0.56 -0.02 -1.26 -2.37 135.00 130.78 1ggk n PRO 45 Ca 0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1ggk n PRO 45 Cb 0.53 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1ggk n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ggk n GLY 46 N 3.50 2.00 0.10 -1.23 0.00 -1.26 -4.91 105.19 103.39 1ggk n GLY 46 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1ggk n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggk h ALA 47 N 0.00 0.57 -2.44 4.61 0.00 -1.84 -3.47 119.26 116.69 1ggk h ALA 47 Ca 0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 54.91 53.93 1ggk h ALA 47 Cb 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.52 1ggk h ALA 47 CO 0.00 1.02 -0.64 -0.65 0.00 0.00 0.00 179.25 178.98 1ggk s GLN 48 N -3.09 1.02 0.19 0.00 -1.52 -1.26 -5.09 119.66 109.91 1ggk s GLN 48 Ca -0.01 -1.50 -0.30 0.00 -1.95 0.00 0.00 55.36 51.60 1ggk s GLN 48 Cb 0.11 0.18 -0.09 0.00 -0.22 0.00 0.00 33.01 32.99 1ggk s GLN 48 CO 0.81 -0.28 1.38 -2.14 -0.25 0.00 0.00 175.29 174.81 1ggk s PRO 49 N -4.06 4.33 0.85 2.91 0.02 -1.26 -5.00 135.00 132.79 1ggk s PRO 49 Ca 0.28 2.15 -0.11 0.00 0.02 0.00 0.00 61.00 63.34 1ggk s PRO 49 Cb 0.07 -3.18 0.11 0.00 0.02 0.00 0.00 34.50 31.52 1ggk s PRO 49 CO 0.05 -0.36 1.11 0.95 -0.33 0.00 0.00 177.00 178.41 1ggk s THR 50 N 0.36 2.77 0.25 0.99 -4.23 -1.26 -4.64 115.64 109.88 1ggk s THR 50 Ca 0.60 0.25 -0.16 0.00 -1.18 0.00 0.00 61.69 61.20 1ggk s THR 50 Cb -0.39 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1ggk s THR 50 CO 0.37 -0.33 0.55 0.00 -0.54 0.00 0.00 174.62 174.68 1ggk s ALA 51 N -2.81 -0.60 0.29 3.99 0.00 -1.26 -5.00 121.76 116.37 1ggk s ALA 51 Ca 0.64 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 1ggk s ALA 51 Cb -0.19 0.98 -0.13 0.00 0.00 0.00 0.00 23.12 23.78 1ggk s ALA 51 CO 0.57 -0.90 1.26 -2.30 0.00 0.00 0.00 175.76 174.39 1ggk n PRO 52 N -0.40 1.88 -0.22 0.00 -0.02 -1.26 -4.75 135.00 130.22 1ggk n PRO 52 Ca -0.03 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.20 1ggk n PRO 52 Cb 0.61 -2.22 0.37 0.00 -0.02 0.00 0.00 33.50 32.24 1ggk n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ggk h GLY 53 N 3.05 1.05 2.00 -1.23 0.00 -1.47 -1.58 103.07 104.89 1ggk h GLY 53 Ca -0.44 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1ggk h GLY 53 CO 0.67 0.16 0.00 -1.14 0.00 0.00 0.00 176.54 176.23 1ggk n SER 54 N -4.51 0.42 -0.01 0.19 3.41 -1.26 -0.30 113.62 111.56 1ggk n SER 54 Ca 0.14 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 1ggk n SER 54 Cb 0.35 -0.67 -0.16 0.00 -0.26 0.00 0.00 64.21 63.47 1ggk n SER 54 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ggk n LEU 55 N -1.93 0.16 0.02 1.04 4.77 -0.64 -3.84 117.00 116.58 1ggk n LEU 55 Ca 0.04 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 1ggk n LEU 55 Cb 0.28 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 1ggk n LEU 55 CO 0.22 0.04 -0.46 0.50 -1.33 0.00 0.00 177.39 176.36 1ggk h LYS 56 N 0.00 0.16 -2.05 3.23 1.63 -0.90 -3.42 116.57 115.21 1ggk h LYS 56 Ca 0.00 -0.27 -0.56 0.00 -0.85 0.00 0.00 60.65 58.97 1ggk h LYS 56 Cb 0.92 0.10 -0.38 0.00 -0.60 0.00 0.00 32.23 32.27 1ggk h LYS 56 CO 0.00 0.93 -1.06 0.00 -3.45 0.00 0.00 179.45 175.87 1ggk n ALA 57 N -2.68 2.45 -0.18 5.00 0.00 0.59 -3.91 120.51 121.78 1ggk n ALA 57 Ca -0.19 -3.28 0.09 0.00 0.00 0.00 0.00 53.44 50.07 1ggk n ALA 57 Cb 1.04 -0.81 0.40 0.00 0.00 0.00 0.00 19.45 20.08 1ggk n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ggk h PRO 58 N 4.43 0.64 -0.00 0.00 0.13 -1.75 -2.33 132.00 133.11 1ggk h PRO 58 Ca 0.12 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ggk h PRO 58 Cb 0.89 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1ggk h PRO 58 CO 0.43 0.42 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.30 1ggk n ASP 59 N -4.49 0.46 -4.63 1.44 8.00 -1.26 -4.82 116.55 111.25 1ggk n ASP 59 Ca 0.12 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 1ggk n ASP 59 Cb 0.33 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.32 1ggk n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ggk s THR 60 N -2.36 4.77 0.10 -3.53 2.01 -0.88 -5.03 115.64 110.71 1ggk s THR 60 Ca 0.33 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.74 1ggk s THR 60 Cb 0.20 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1ggk s THR 60 CO 0.44 -0.22 -0.04 -0.13 -0.69 0.00 0.00 174.62 173.98 1ggk s ARG 61 N 3.01 0.81 0.32 4.92 0.52 -1.26 -5.03 118.95 122.25 1ggk s ARG 61 Ca 0.35 -1.33 -0.12 0.00 -0.52 0.00 0.00 55.73 54.11 1ggk s ARG 61 Cb -0.14 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.26 1ggk s ARG 61 CO 0.11 -0.06 0.62 0.54 0.02 0.00 0.00 175.30 176.52 1ggk s ASN 62 N -3.03 0.19 0.44 0.23 2.20 -1.26 -5.04 114.94 108.68 1ggk s ASN 62 Ca 0.13 -1.10 0.21 0.00 -0.94 0.00 0.00 52.86 51.15 1ggk s ASN 62 Cb 0.06 0.72 1.04 0.00 -2.00 0.00 0.00 41.25 41.07 1ggk s ASN 62 CO -0.05 -1.40 1.92 -0.08 -2.94 0.00 0.00 177.10 174.56 1ggk h GLU 63 N 2.09 0.00 -0.02 3.55 4.81 -1.97 -2.52 114.58 120.52 1ggk h GLU 63 Ca -0.28 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 1ggk h GLU 63 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ggk h GLU 63 CO 0.36 0.24 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.40 1ggk h LYS 64 N 0.00 0.22 -0.73 1.92 1.63 -1.97 -2.62 116.57 115.02 1ggk h LYS 64 Ca -0.00 -0.21 0.10 0.00 -0.85 0.00 0.00 60.65 59.70 1ggk h LYS 64 Cb 0.55 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.15 1ggk h LYS 64 CO 0.03 0.90 0.36 -0.07 -3.45 0.00 0.00 179.45 177.22 1ggk h LEU 65 N -0.38 0.45 -0.39 5.20 3.38 -1.94 -1.86 115.31 119.77 1ggk h LEU 65 Ca -0.03 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1ggk h LEU 65 Cb 0.97 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1ggk h LEU 65 CO 0.05 0.24 -0.12 0.78 0.09 0.00 0.00 178.44 179.49 1ggk h ASN 66 N 0.59 0.77 0.46 -0.43 2.35 -1.50 -2.64 115.58 115.17 1ggk h ASN 66 Ca 0.37 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ggk h ASN 66 Cb 0.43 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1ggk h ASN 66 CO -0.29 0.97 0.00 0.77 -1.65 0.00 0.00 177.43 177.23 1ggk h SER 67 N 0.57 0.00 0.39 5.81 4.64 -0.95 -1.79 113.55 122.22 1ggk h SER 67 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ggk h SER 67 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1ggk h SER 67 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 1ggk n LEU 68 N -2.83 0.00 0.19 5.97 4.77 -0.94 -3.66 117.00 120.49 1ggk n LEU 68 Ca -0.01 0.22 0.07 0.00 -0.03 0.00 0.00 56.01 56.26 1ggk n LEU 68 Cb 0.17 -0.22 0.58 0.00 -2.33 0.00 0.00 43.42 41.62 1ggk n LEU 68 CO 0.21 -0.03 1.10 -0.33 -1.33 0.00 0.00 177.39 177.01 1ggk h GLU 69 N 0.00 0.15 -0.74 3.23 4.39 -1.41 -2.66 114.58 117.53 1ggk h GLU 69 Ca 0.00 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1ggk h GLU 69 Cb 0.20 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1ggk h GLU 69 CO 0.00 0.10 0.49 0.38 -1.16 0.00 0.00 179.01 178.82 1ggk h ASP 70 N 0.15 0.71 -0.02 1.42 -0.00 -1.80 -3.07 116.42 113.81 1ggk h ASP 70 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1ggk h ASP 70 Cb -0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 39.16 1ggk h ASP 70 CO -0.01 0.46 -0.11 1.33 -0.00 0.00 0.00 179.24 180.92 1ggk n VAL 71 N -4.48 0.00 -2.14 4.15 0.24 -1.02 -4.98 118.33 110.10 1ggk n VAL 71 Ca 0.11 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.55 1ggk n VAL 71 Cb 0.20 1.29 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 1ggk n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ggk s ARG 72 N -1.54 4.37 -0.07 7.34 0.52 -1.12 -5.02 118.95 123.43 1ggk s ARG 72 Ca 0.17 2.18 0.04 0.00 -0.52 0.00 0.00 55.73 57.61 1ggk s ARG 72 Cb 0.13 -3.09 -0.00 0.00 0.52 0.00 0.00 34.95 32.51 1ggk s ARG 72 CO 0.27 -0.19 -0.21 0.21 0.02 0.00 0.00 175.30 175.40 1ggk s LYS 73 N -1.49 2.45 0.00 3.54 2.20 -1.26 -5.03 119.74 120.15 1ggk s LYS 73 Ca 0.50 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1ggk s LYS 73 Cb -0.39 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1ggk s LYS 73 CO 0.50 0.23 0.00 0.41 -0.36 0.00 0.00 175.35 176.13 1ggk n GLY 74 N 3.30 -0.11 0.00 5.54 0.00 -1.26 -5.09 105.19 107.57 1ggk n GLY 74 Ca -0.19 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1ggk n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggk n SER 75 N -0.20 0.00 -4.74 1.61 3.41 -1.26 -5.09 113.62 107.34 1ggk n SER 75 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1ggk n SER 75 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1ggk n SER 75 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ggk s GLU 76 N -0.97 4.14 0.00 4.33 2.02 -1.26 -2.88 118.70 124.08 1ggk s GLU 76 Ca 0.00 2.55 0.00 0.00 0.02 0.00 0.00 54.97 57.54 1ggk s GLU 76 Cb 0.00 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1ggk s GLU 76 CO 0.00 -0.63 0.00 0.09 0.02 0.00 0.00 175.26 174.74 1ggk n ASN 77 N 2.48 -2.87 -4.73 -0.19 3.02 -1.26 -5.03 115.26 106.67 1ggk n ASN 77 Ca 0.09 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.39 1ggk n ASN 77 Cb 0.37 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 1ggk n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ggk s TYR 78 N -2.11 2.94 0.27 3.10 2.02 -1.14 -5.11 117.35 117.32 1ggk s TYR 78 Ca 0.00 -0.12 -0.29 0.00 -0.37 0.00 0.00 57.07 56.29 1ggk s TYR 78 Cb 0.00 -1.38 -0.09 0.00 -0.40 0.00 0.00 41.96 40.09 1ggk s TYR 78 CO 0.00 0.54 0.95 0.00 -1.57 0.00 0.00 175.55 175.47 1ggk s ALA 79 N -1.94 3.30 0.05 3.71 0.00 -1.26 -5.03 121.76 120.59 1ggk s ALA 79 Ca 0.30 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.56 1ggk s ALA 79 Cb -0.09 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 1ggk s ALA 79 CO 0.21 0.19 1.52 -1.17 0.00 0.00 0.00 175.76 176.51 1ggk s LEU 80 N -1.46 4.35 0.37 0.00 2.96 -1.26 -5.01 118.68 118.64 1ggk s LEU 80 Ca 0.44 2.33 0.05 0.00 -0.22 0.00 0.00 54.13 56.73 1ggk s LEU 80 Cb -0.24 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1ggk s LEU 80 CO 0.30 -0.80 0.17 0.42 -1.32 0.00 0.00 176.35 175.12 1ggk s THR 81 N 2.31 0.40 0.87 3.68 -4.23 -1.26 -1.67 115.64 115.74 1ggk s THR 81 Ca 0.69 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.07 1ggk s THR 81 Cb -0.36 -2.40 0.20 0.00 1.34 0.00 0.00 72.50 71.27 1ggk s THR 81 CO 0.30 0.00 1.19 0.35 -0.54 0.00 0.00 174.62 175.92 1ggk n THR 82 N -0.79 0.00 0.74 3.99 -2.24 -0.57 -4.90 114.28 110.51 1ggk n THR 82 Ca -0.02 -1.02 0.11 0.00 -2.27 0.00 0.00 64.05 60.85 1ggk n THR 82 Cb 0.64 -1.43 0.47 0.00 -2.10 0.00 0.00 70.33 67.91 1ggk n THR 82 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ggk n ASN 83 N -3.64 0.05 -0.79 3.42 3.02 -1.26 -1.60 115.26 114.46 1ggk n ASN 83 Ca 0.16 0.51 0.13 0.00 -0.03 0.00 0.00 54.58 55.34 1ggk n ASN 83 Cb 0.54 -0.52 0.27 0.00 -0.61 0.00 0.00 39.78 39.47 1ggk n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ggk n GLN 84 N -1.55 2.08 -0.56 3.52 1.13 -1.26 -4.96 117.38 115.78 1ggk n GLN 84 Ca 0.05 -1.57 0.00 0.00 -1.94 0.00 0.00 57.00 53.54 1ggk n GLN 84 Cb 0.26 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1ggk n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ggk n GLY 85 N 1.29 0.67 3.69 1.08 0.00 -0.63 -5.07 105.19 106.22 1ggk n GLY 85 Ca 0.16 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1ggk n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggk s VAL 86 N -2.00 5.10 0.38 1.61 1.01 -1.26 -4.81 120.40 120.42 1ggk s VAL 86 Ca 0.00 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.82 1ggk s VAL 86 Cb 0.00 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1ggk s VAL 86 CO 0.00 0.22 1.35 -0.13 0.00 0.00 0.00 175.10 176.54 1ggk s ARG 87 N 1.26 4.12 -0.18 2.72 0.52 -1.26 -1.52 118.95 124.61 1ggk s ARG 87 Ca 0.28 2.28 -0.12 0.00 -0.52 0.00 0.00 55.73 57.65 1ggk s ARG 87 Cb -0.16 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 1ggk s ARG 87 CO 0.11 -0.41 0.22 0.42 0.02 0.00 0.00 175.30 175.66 1ggk s ILE 88 N -1.18 5.35 -0.13 1.52 1.01 -0.67 -4.91 121.20 122.19 1ggk s ILE 88 Ca 0.53 0.39 -0.19 0.00 0.00 0.00 0.00 60.65 61.38 1ggk s ILE 88 Cb -0.41 -3.56 -0.25 0.00 0.01 0.00 0.00 42.46 38.25 1ggk s ILE 88 CO 0.54 0.42 0.51 0.00 0.00 0.00 0.00 174.94 176.40 1ggk h ALA 89 N 6.62 0.17 -3.32 9.38 0.00 -1.94 -3.46 119.26 126.71 1ggk h ALA 89 Ca -0.41 -1.03 -0.53 0.00 0.00 0.00 0.00 54.91 52.94 1ggk h ALA 89 Cb 1.16 0.47 -0.40 0.00 0.00 0.00 0.00 17.79 19.02 1ggk h ALA 89 CO 0.75 0.68 -0.77 0.34 0.00 0.00 0.00 179.25 180.25 1ggk s ASP 90 N -6.87 3.00 -0.25 0.00 3.68 -1.26 -5.00 116.67 109.97 1ggk s ASP 90 Ca -0.22 -0.85 0.13 0.00 2.13 0.00 0.00 52.55 53.75 1ggk s ASP 90 Cb 0.04 -0.67 0.76 0.00 -1.45 0.00 0.00 42.92 41.60 1ggk s ASP 90 CO 0.71 -0.29 1.71 -0.67 0.13 0.00 0.00 175.17 176.76 1ggk n ASP 91 N 5.00 5.22 -0.16 -0.34 4.64 -1.26 -4.26 116.55 125.39 1ggk n ASP 91 Ca -0.09 -3.03 0.05 0.00 -1.38 0.00 0.00 54.79 50.33 1ggk n ASP 91 Cb 0.47 -0.68 -0.02 0.00 -1.04 0.00 0.00 41.12 39.85 1ggk n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ggk n GLN 92 N 0.24 2.61 -3.98 -0.67 1.13 -1.26 -5.06 117.38 110.39 1ggk n GLN 92 Ca 0.30 -0.41 -0.09 0.00 -1.94 0.00 0.00 57.00 54.86 1ggk n GLN 92 Cb 1.20 -1.05 -0.10 0.00 0.11 0.00 0.00 30.24 30.40 1ggk n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1ggk s ASN 93 N -1.58 0.27 0.37 1.08 0.01 -1.26 -5.15 114.94 108.68 1ggk s ASN 93 Ca 0.07 -0.63 -0.10 0.00 -0.71 0.00 0.00 52.86 51.48 1ggk s ASN 93 Cb 0.08 0.18 -0.07 0.00 0.41 0.00 0.00 41.25 41.86 1ggk s ASN 93 CO 0.31 -0.47 0.73 -0.44 -1.51 0.00 0.00 177.10 175.72 1ggk s SER 94 N -2.12 6.55 -0.06 -1.22 0.01 -1.26 -5.01 113.70 110.59 1ggk s SER 94 Ca -0.05 1.09 -0.30 0.00 1.31 0.00 0.00 55.95 58.00 1ggk s SER 94 Cb -0.02 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 1ggk s SER 94 CO -0.05 -0.34 1.04 -0.22 0.41 0.00 0.00 173.24 174.09 1ggk s LEU 95 N -3.67 4.29 0.05 2.44 2.96 -1.26 -5.02 118.68 118.46 1ggk s LEU 95 Ca 0.51 1.64 -0.02 0.00 -0.22 0.00 0.00 54.13 56.04 1ggk s LEU 95 Cb -0.10 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1ggk s LEU 95 CO 0.29 -0.42 -0.00 0.00 -1.32 0.00 0.00 176.35 174.89 1ggk s ARG 96 N 1.73 0.57 -1.05 1.98 1.70 -1.26 -1.44 118.95 121.18 1ggk s ARG 96 Ca 0.51 -1.04 -0.19 0.00 -0.47 0.00 0.00 55.73 54.54 1ggk s ARG 96 Cb -0.21 0.20 0.10 0.00 -0.57 0.00 0.00 34.95 34.48 1ggk s ARG 96 CO 0.22 -0.11 1.36 0.00 -1.08 0.00 0.00 175.30 175.69 1ggk s ALA 97 N -3.32 3.22 0.00 7.88 0.00 -0.91 -4.82 121.76 123.81 1ggk s ALA 97 Ca 0.01 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.28 1ggk s ALA 97 Cb 0.04 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1ggk s ALA 97 CO -0.08 -3.21 0.00 0.41 0.00 0.00 0.00 175.76 172.88 1ggk n GLY 98 N 5.77 0.95 0.21 0.00 0.00 -1.26 -3.65 105.19 107.20 1ggk n GLY 98 Ca 0.32 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.60 1ggk n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ggk h SER 99 N 0.00 0.00 -0.39 1.61 4.64 -2.01 -2.48 113.55 114.92 1ggk h SER 99 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1ggk h SER 99 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1ggk h SER 99 CO 0.00 0.29 -0.16 0.54 -0.87 0.00 0.00 176.83 176.63 1ggk n ARG 100 N -4.08 2.02 -1.93 4.77 1.74 -1.26 -5.06 116.66 112.86 1ggk n ARG 100 Ca -0.02 -3.31 -0.08 0.00 -0.77 0.00 0.00 57.85 53.67 1ggk n ARG 100 Cb 0.35 -1.87 0.02 0.00 -1.02 0.00 0.00 32.46 29.93 1ggk n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ggk n GLY 101 N -1.08 2.26 3.81 -0.13 0.00 -0.94 -5.06 105.19 104.06 1ggk n GLY 101 Ca 0.35 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1ggk n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ggk s PRO 102 N -2.93 4.20 0.21 1.61 0.04 -1.26 -4.63 135.00 132.24 1ggk s PRO 102 Ca 0.19 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1ggk s PRO 102 Cb -0.02 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1ggk s PRO 102 CO 0.12 -0.06 1.07 0.99 0.04 0.00 0.00 177.00 179.16 1ggk s THR 103 N -2.10 3.81 0.20 1.26 2.01 -1.26 -2.15 115.64 117.41 1ggk s THR 103 Ca 0.62 1.66 -0.13 0.00 0.31 0.00 0.00 61.69 64.15 1ggk s THR 103 Cb -0.11 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.27 1ggk s THR 103 CO 0.15 0.33 0.57 -0.76 -0.69 0.00 0.00 174.62 174.22 1ggk s LEU 104 N -0.77 4.25 0.40 4.42 1.43 -0.52 -4.97 118.68 122.92 1ggk s LEU 104 Ca 0.47 1.04 0.15 0.00 -1.03 0.00 0.00 54.13 54.76 1ggk s LEU 104 Cb -0.29 -3.50 0.85 0.00 0.03 0.00 0.00 46.19 43.27 1ggk s LEU 104 CO 0.36 0.01 1.87 0.25 0.23 0.00 0.00 176.35 179.07 1ggk h LEU 105 N 3.05 0.00 0.00 1.79 5.85 -1.95 -2.94 115.31 121.12 1ggk h LEU 105 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1ggk h LEU 105 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ggk h LEU 105 CO 0.67 0.32 0.00 -1.84 -0.34 0.00 0.00 178.44 177.25 1ggk n GLU 106 N -4.01 0.56 -2.22 1.25 0.28 -1.26 -4.53 120.64 110.71 1ggk n GLU 106 Ca -0.02 0.02 -0.32 0.00 -0.16 0.00 0.00 57.16 56.69 1ggk n GLU 106 Cb 0.37 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.70 1ggk n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ggk s ASP 107 N -2.14 5.60 0.48 -1.84 3.68 -1.11 -4.78 116.67 116.55 1ggk s ASP 107 Ca 0.28 -1.21 0.27 0.00 2.13 0.00 0.00 52.55 54.02 1ggk s ASP 107 Cb 0.14 -2.57 0.91 0.00 -1.45 0.00 0.00 42.92 39.95 1ggk s ASP 107 CO 0.26 -2.37 1.82 2.19 0.13 0.00 0.00 175.17 177.19 1ggk h PHE 108 N 10.30 0.00 -0.12 -5.34 -0.00 -1.91 -2.11 116.94 117.76 1ggk h PHE 108 Ca 0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 58.00 1ggk h PHE 108 Cb 0.98 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.94 1ggk h PHE 108 CO 1.25 0.10 -0.50 0.82 -0.00 0.00 0.00 178.31 179.98 1ggk h ILE 109 N 0.00 1.35 0.22 0.88 2.04 -1.98 -1.45 117.51 118.58 1ggk h ILE 109 Ca -0.00 -1.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1ggk h ILE 109 Cb 0.75 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1ggk h ILE 109 CO 0.01 0.55 -0.11 0.25 0.00 0.00 0.00 178.15 178.85 1ggk h LEU 110 N 0.17 -0.25 -1.36 1.44 5.85 -1.93 -1.51 115.31 117.72 1ggk h LEU 110 Ca -0.03 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1ggk h LEU 110 Cb 1.14 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1ggk h LEU 110 CO 0.11 -0.05 -0.24 0.03 -0.34 0.00 0.00 178.44 177.94 1ggk h ARG 111 N -0.45 0.12 -0.12 1.25 3.08 -1.43 -1.11 114.38 115.71 1ggk h ARG 111 Ca -0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1ggk h ARG 111 Cb 0.34 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ggk h ARG 111 CO 0.05 0.36 -0.15 1.49 -1.07 0.00 0.00 179.97 180.65 1ggk h GLU 112 N 0.11 0.32 -0.06 0.04 4.81 -1.10 0.76 114.58 119.46 1ggk h GLU 112 Ca 0.02 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1ggk h GLU 112 Cb 0.49 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1ggk h GLU 112 CO 0.03 0.74 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.77 1ggk h LYS 113 N -0.08 -0.08 -0.17 1.92 3.64 -0.97 -2.01 116.57 118.82 1ggk h LYS 113 Ca 0.02 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1ggk h LYS 113 Cb 0.69 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1ggk h LYS 113 CO 0.04 -0.06 -0.43 0.82 -2.27 0.00 0.00 179.45 177.55 1ggk h ILE 114 N -0.09 1.31 0.01 2.00 1.08 -1.22 -3.00 117.51 117.62 1ggk h ILE 114 Ca 0.05 -1.60 -0.00 0.00 -0.39 0.00 0.00 64.86 62.92 1ggk h ILE 114 Cb 0.15 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1ggk h ILE 114 CO -0.11 0.49 -0.00 0.74 -0.69 0.00 0.00 178.15 178.57 1ggk h THR 115 N 0.33 1.08 -0.47 -0.27 2.02 -0.38 -1.62 112.91 113.60 1ggk h THR 115 Ca 0.03 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.99 1ggk h THR 115 Cb 0.90 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 1ggk h THR 115 CO 0.08 0.06 0.24 -0.74 0.37 0.00 0.00 175.52 175.53 1ggk h HIS 116 N -0.12 0.45 -0.26 3.16 -0.00 -1.41 -2.40 115.15 114.57 1ggk h HIS 116 Ca -0.00 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.43 1ggk h HIS 116 Cb 0.12 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.35 1ggk h HIS 116 CO -0.04 0.23 -0.02 0.35 -0.00 0.00 0.00 177.93 178.45 1ggk h PHE 117 N 0.48 -0.04 -0.01 5.26 3.57 -1.38 -2.67 116.94 122.15 1ggk h PHE 117 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1ggk h PHE 117 Cb 0.10 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1ggk h PHE 117 CO -0.10 -0.06 0.21 -0.44 -2.23 0.00 0.00 178.31 175.69 1ggk h ASP 118 N 0.06 0.00 -0.08 0.41 3.45 -0.79 -2.30 116.42 117.16 1ggk h ASP 118 Ca 0.12 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 1ggk h ASP 118 Cb 0.17 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1ggk h ASP 118 CO -0.22 0.00 -0.36 1.41 -1.57 0.00 0.00 179.24 178.50 1ggk n HIS 119 N -2.98 0.26 0.08 4.55 8.25 -1.02 -4.82 115.22 119.55 1ggk n HIS 119 Ca -0.02 -1.48 -0.04 0.00 -0.26 0.00 0.00 57.72 55.92 1ggk n HIS 119 Cb 0.27 -0.30 0.16 0.00 1.12 0.00 0.00 29.99 31.24 1ggk n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1ggk h GLU 120 N 0.94 0.26 -6.56 -0.41 5.08 -1.33 -3.45 114.58 109.10 1ggk h GLU 120 Ca 0.05 -0.15 -0.52 0.00 -1.00 0.00 0.00 59.36 57.74 1ggk h GLU 120 Cb 1.16 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1ggk h GLU 120 CO 0.09 0.72 0.12 1.03 -1.00 0.00 0.00 179.01 179.97 1ggk s ARG 121 N -3.94 4.30 0.28 2.33 1.81 -1.26 -5.09 118.95 117.39 1ggk s ARG 121 Ca -0.04 0.91 0.11 0.00 -1.72 0.00 0.00 55.73 54.99 1ggk s ARG 121 Cb 0.13 -2.93 -0.05 0.00 -0.45 0.00 0.00 34.95 31.64 1ggk s ARG 121 CO 0.79 0.42 -0.17 0.96 -0.68 0.00 0.00 175.30 176.61 1ggk s ILE 122 N -1.47 2.33 0.40 1.52 -4.36 -1.26 -5.11 121.20 113.25 1ggk s ILE 122 Ca 0.42 -2.35 -0.26 0.00 -0.26 0.00 0.00 60.65 58.20 1ggk s ILE 122 Cb -0.18 -2.33 -0.11 0.00 1.25 0.00 0.00 42.46 41.10 1ggk s ILE 122 CO 0.22 -0.39 1.25 -2.65 0.24 0.00 0.00 174.94 173.60 1ggk n PRO 123 N -0.62 1.92 -2.14 0.37 -0.02 -1.26 -4.98 135.00 128.26 1ggk n PRO 123 Ca -0.05 0.68 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1ggk n PRO 123 Cb 0.61 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1ggk n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ggk s GLU 124 N -2.09 2.76 0.29 -0.52 -1.05 -1.26 -4.92 118.70 111.90 1ggk s GLU 124 Ca 0.60 0.16 -0.30 0.00 -0.15 0.00 0.00 54.97 55.28 1ggk s GLU 124 Cb -0.53 -2.14 -0.12 0.00 -0.44 0.00 0.00 34.13 30.90 1ggk s GLU 124 CO 0.59 -0.94 1.62 0.54 0.95 0.00 0.00 175.26 178.01 1ggk n ARG 125 N -2.83 2.74 -0.22 -4.83 1.74 -1.26 -4.91 116.66 107.09 1ggk n ARG 125 Ca 0.06 0.98 0.01 0.00 -0.77 0.00 0.00 57.85 58.13 1ggk n ARG 125 Cb 0.58 -2.77 0.13 0.00 -1.02 0.00 0.00 32.46 29.38 1ggk n ARG 125 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1ggk h ILE 126 N 3.40 0.75 -3.64 0.55 6.09 -1.99 -3.34 117.51 119.33 1ggk h ILE 126 Ca -0.47 -0.15 -0.39 0.00 -1.37 0.00 0.00 64.86 62.48 1ggk h ILE 126 Cb 1.22 0.27 -0.18 0.00 0.47 0.00 0.00 36.82 38.59 1ggk h ILE 126 CO 0.81 0.08 -0.75 0.68 -3.07 0.00 0.00 178.15 175.90 1ggk s VAL 127 N -6.07 1.20 -0.95 2.19 -7.23 -1.26 -4.81 120.40 103.47 1ggk s VAL 127 Ca -0.13 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1ggk s VAL 127 Cb 0.18 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.67 1ggk s VAL 127 CO 0.75 -0.45 0.11 1.41 -0.31 0.00 0.00 175.10 176.62 1ggk n HIS 128 N 0.58 -0.73 0.14 2.82 8.25 -0.87 -4.94 115.22 120.47 1ggk n HIS 128 Ca -0.16 0.10 0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1ggk n HIS 128 Cb 0.57 -2.75 0.43 0.00 1.12 0.00 0.00 29.99 29.36 1ggk n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ggk h ALA 129 N 0.55 1.59 -2.31 -1.41 0.00 -1.72 -3.41 119.26 112.56 1ggk h ALA 129 Ca -0.28 -0.17 -0.67 0.00 0.00 0.00 0.00 54.91 53.79 1ggk h ALA 129 Cb 1.20 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 1ggk h ALA 129 CO 0.32 0.30 -0.05 0.50 0.00 0.00 0.00 179.25 180.32 1ggk s ARG 130 N -4.78 3.25 0.19 0.00 6.06 -1.25 -4.14 118.95 118.27 1ggk s ARG 130 Ca -0.05 -0.51 -0.18 0.00 -2.50 0.00 0.00 55.73 52.48 1ggk s ARG 130 Cb 0.16 -3.94 0.03 0.00 0.06 0.00 0.00 34.95 31.26 1ggk s ARG 130 CO 0.72 -0.88 0.53 0.20 -2.50 0.00 0.00 175.30 173.36 1ggk s GLY 131 N 1.88 -0.18 -0.04 8.12 0.00 -1.26 -1.39 107.32 114.45 1ggk s GLY 131 Ca 0.17 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.79 1ggk s GLY 131 CO 0.16 -0.20 -0.04 -0.56 0.00 0.00 0.00 173.10 172.45 1ggk s SER 132 N -2.85 0.87 0.26 1.64 0.01 0.10 -4.97 113.70 108.76 1ggk s SER 132 Ca 0.07 -0.12 0.10 0.00 1.31 0.00 0.00 55.95 57.32 1ggk s SER 132 Cb -0.01 -0.41 -0.05 0.00 0.21 0.00 0.00 66.02 65.76 1ggk s SER 132 CO -0.05 -0.04 -0.17 0.00 0.41 0.00 0.00 173.24 173.39 1ggk s ALA 133 N 0.81 2.52 0.09 1.44 0.00 -1.26 -1.37 121.76 123.99 1ggk s ALA 133 Ca -0.11 -1.83 -0.21 0.00 0.00 0.00 0.00 51.96 49.82 1ggk s ALA 133 Cb -0.14 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 22.87 1ggk s ALA 133 CO 0.00 0.18 0.51 0.00 0.00 0.00 0.00 175.76 176.45 1ggk s ALA 134 N -2.69 -1.29 0.33 0.00 0.00 -0.29 -4.64 121.76 113.19 1ggk s ALA 134 Ca 0.28 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 1ggk s ALA 134 Cb -0.03 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1ggk s ALA 134 CO 0.12 -0.59 0.61 -1.01 0.00 0.00 0.00 175.76 174.89 1ggk s HIS 135 N -3.05 3.48 0.00 0.00 3.76 -0.31 -1.38 115.29 117.80 1ggk s HIS 135 Ca -0.02 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 55.58 1ggk s HIS 135 Cb -0.00 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1ggk s HIS 135 CO -0.07 0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 1ggk n GLY 136 N -1.18 1.45 3.20 -2.22 0.00 -0.94 -1.62 105.19 103.89 1ggk n GLY 136 Ca -0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1ggk n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ggk s TYR 137 N -1.92 0.15 0.10 1.61 -0.85 -0.78 -0.71 117.35 114.96 1ggk s TYR 137 Ca 0.00 -0.58 0.09 0.00 -0.52 0.00 0.00 57.07 56.06 1ggk s TYR 137 Cb 0.00 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 1ggk s TYR 137 CO 0.00 -0.54 -0.23 0.12 -1.52 0.00 0.00 175.55 173.38 1ggk s PHE 138 N -3.81 1.98 -0.15 -3.49 5.36 0.13 -1.76 117.98 116.23 1ggk s PHE 138 Ca 0.05 -0.40 -0.07 0.00 -0.96 0.00 0.00 56.93 55.54 1ggk s PHE 138 Cb 0.05 -1.09 0.06 0.00 -0.34 0.00 0.00 43.02 41.69 1ggk s PHE 138 CO -0.11 0.24 0.35 -1.14 -1.46 0.00 0.00 175.22 173.09 1ggk s GLN 139 N -1.87 0.31 0.55 10.12 0.74 -0.46 -1.32 119.66 127.73 1ggk s GLN 139 Ca 0.09 0.72 -0.18 0.00 0.05 0.00 0.00 55.36 56.05 1ggk s GLN 139 Cb -0.10 -0.03 -0.06 0.00 1.10 0.00 0.00 33.01 33.93 1ggk s GLN 139 CO 0.04 -0.18 1.05 -1.25 -0.55 0.00 0.00 175.29 174.41 1ggk s PRO 140 N 1.55 3.53 -0.01 1.67 0.05 -1.26 -1.06 135.00 139.46 1ggk s PRO 140 Ca -0.08 1.28 -0.02 0.00 0.05 0.00 0.00 61.00 62.23 1ggk s PRO 140 Cb -0.10 -2.06 -0.27 0.00 0.05 0.00 0.00 34.50 32.12 1ggk s PRO 140 CO -0.11 -0.64 0.81 1.88 0.05 0.00 0.00 177.00 178.98 1ggk h TYR 141 N 0.94 0.42 -3.84 0.56 0.99 -1.29 -3.40 116.97 111.34 1ggk h TYR 141 Ca -0.48 -0.30 -0.10 0.00 2.00 0.00 0.00 58.73 59.85 1ggk h TYR 141 Cb 1.22 -0.02 -0.12 0.00 1.00 0.00 0.00 36.73 38.81 1ggk h TYR 141 CO 0.58 1.38 -0.29 -1.59 -0.00 0.00 0.00 178.16 178.24 1ggk s LYS 142 N -2.61 1.20 0.29 4.88 -2.85 -1.26 -4.77 119.74 114.62 1ggk s LYS 142 Ca -0.10 -1.16 -0.29 0.00 -1.00 0.00 0.00 55.97 53.42 1ggk s LYS 142 Cb 0.07 0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 36.13 1ggk s LYS 142 CO 0.84 -0.45 1.25 0.45 0.10 0.00 0.00 175.35 177.55 1ggk s SER 143 N -2.97 6.92 -0.22 0.03 0.15 -1.26 -4.48 113.70 111.87 1ggk s SER 143 Ca 0.17 2.53 0.13 0.00 0.70 0.00 0.00 55.95 59.48 1ggk s SER 143 Cb 0.03 -2.64 0.46 0.00 -1.71 0.00 0.00 66.02 62.16 1ggk s SER 143 CO 0.00 -0.43 1.36 0.18 1.20 0.00 0.00 173.24 175.55 1ggk n LEU 144 N 1.25 3.52 0.12 3.45 4.77 -0.79 -4.77 117.00 124.56 1ggk n LEU 144 Ca 0.01 -3.48 0.11 0.00 -0.03 0.00 0.00 56.01 52.62 1ggk n LEU 144 Cb 0.43 -0.56 0.48 0.00 -2.33 0.00 0.00 43.42 41.44 1ggk n LEU 144 CO 0.58 1.03 0.82 -1.54 -1.33 0.00 0.00 177.39 176.95 1ggk n SER 145 N -1.03 0.56 0.17 -1.43 3.41 -1.25 -1.65 113.62 112.39 1ggk n SER 145 Ca 0.25 0.67 0.02 0.00 -0.26 0.00 0.00 58.87 59.55 1ggk n SER 145 Cb 0.87 -0.78 0.38 0.00 -0.26 0.00 0.00 64.21 64.43 1ggk n SER 145 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ggk h ASP 146 N 0.00 0.09 0.00 4.04 3.45 -2.00 -3.30 116.42 118.70 1ggk h ASP 146 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1ggk h ASP 146 Cb 0.24 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1ggk h ASP 146 CO 0.00 0.37 -1.40 2.30 -1.57 0.00 0.00 179.24 178.94 1ggk n ILE 147 N -4.18 0.00 -3.77 0.35 -5.35 -0.68 -4.80 119.36 100.93 1ggk n ILE 147 Ca -0.02 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 1ggk n ILE 147 Cb 0.35 0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 38.49 1ggk n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ggk s THR 148 N -2.72 0.03 -0.53 7.28 -1.32 -0.66 -3.29 115.64 114.42 1ggk s THR 148 Ca -0.03 -0.24 0.12 0.00 -1.21 0.00 0.00 61.69 60.33 1ggk s THR 148 Cb 0.08 -0.51 0.68 0.00 -1.51 0.00 0.00 72.50 71.24 1ggk s THR 148 CO 0.50 -0.13 1.54 2.29 -2.21 0.00 0.00 174.62 176.60 1ggk n LYS 149 N 2.15 4.10 -2.03 7.08 2.85 -0.33 -3.91 118.16 128.07 1ggk n LYS 149 Ca -0.17 -2.60 -0.43 0.00 -1.05 0.00 0.00 58.31 54.06 1ggk n LYS 149 Cb 0.57 -2.08 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 1ggk n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ggk s ALA 150 N -2.35 3.42 0.21 0.58 0.00 -1.24 -4.66 121.76 117.72 1ggk s ALA 150 Ca 0.45 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 53.05 1ggk s ALA 150 Cb 0.34 -3.81 0.27 0.00 0.00 0.00 0.00 23.12 19.92 1ggk s ALA 150 CO 0.15 -1.71 1.74 0.22 0.00 0.00 0.00 175.76 176.15 1ggk h ASP 151 N 10.37 0.19 0.08 0.00 3.58 -1.91 -1.64 116.42 127.08 1ggk h ASP 151 Ca -0.37 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 1ggk h ASP 151 Cb 1.17 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 1ggk h ASP 151 CO 0.97 0.11 -0.01 2.19 -2.88 0.00 0.00 179.24 179.63 1ggk h PHE 152 N 0.38 0.00 -0.02 0.28 -5.15 -1.95 -1.35 116.94 109.12 1ggk h PHE 152 Ca 0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.07 1ggk h PHE 152 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.56 1ggk h PHE 152 CO -0.18 0.01 -0.14 1.28 -2.00 0.00 0.00 178.31 177.27 1ggk n LEU 153 N -3.31 2.50 -0.00 2.10 4.77 -0.65 -4.67 117.00 117.74 1ggk n LEU 153 Ca -0.03 -0.85 0.14 0.00 -0.03 0.00 0.00 56.01 55.24 1ggk n LEU 153 Cb 0.09 -0.01 0.60 0.00 -2.33 0.00 0.00 43.42 41.78 1ggk n LEU 153 CO 0.23 0.43 0.92 -1.54 -1.33 0.00 0.00 177.39 176.10 1ggk n SER 154 N 0.77 0.06 -3.70 -1.43 3.41 -0.51 -1.89 113.62 110.33 1ggk n SER 154 Ca 0.13 0.32 -0.12 0.00 -0.26 0.00 0.00 58.87 58.94 1ggk n SER 154 Cb 0.53 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 1ggk n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ggk s ASP 155 N -2.93 -0.22 0.57 4.04 3.68 -1.26 -4.49 116.67 116.06 1ggk s ASP 155 Ca 0.16 0.67 0.31 0.00 2.13 0.00 0.00 52.55 55.82 1ggk s ASP 155 Cb 0.19 0.63 1.73 0.00 -1.45 0.00 0.00 42.92 44.03 1ggk s ASP 155 CO 0.54 -0.19 2.19 1.55 0.13 0.00 0.00 175.17 179.38 1ggk h PRO 156 N 7.45 0.00 -0.56 4.34 0.13 -1.78 -1.78 132.00 139.80 1ggk h PRO 156 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ggk h PRO 156 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ggk h PRO 156 CO 0.29 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 1ggk n ASN 157 N -3.66 3.06 -4.54 1.44 3.02 -1.26 -4.52 115.26 108.80 1ggk n ASN 157 Ca -0.02 -2.09 -0.36 0.00 -0.03 0.00 0.00 54.58 52.07 1ggk n ASN 157 Cb 0.15 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 38.81 1ggk n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ggk s LYS 158 N -1.42 3.83 -0.17 3.52 2.20 -0.67 -5.08 119.74 121.95 1ggk s LYS 158 Ca 0.36 -0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 55.49 1ggk s LYS 158 Cb 0.20 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.10 1ggk s LYS 158 CO 0.23 -0.03 0.14 0.42 -0.36 0.00 0.00 175.35 175.74 1ggk s ILE 159 N 1.23 5.44 -0.20 5.43 1.01 -1.26 -4.37 121.20 128.48 1ggk s ILE 159 Ca 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 1ggk s ILE 159 Cb -0.14 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1ggk s ILE 159 CO 0.04 0.50 -0.11 -0.89 0.00 0.00 0.00 174.94 174.49 1ggk s THR 160 N -0.12 2.85 0.30 2.92 2.01 -0.43 -4.94 115.64 118.22 1ggk s THR 160 Ca 0.11 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1ggk s THR 160 Cb -0.11 -2.26 -0.11 0.00 0.01 0.00 0.00 72.50 70.03 1ggk s THR 160 CO 0.00 0.47 1.48 -2.84 -0.69 0.00 0.00 174.62 173.04 1ggk s PRO 161 N 1.35 4.20 0.25 4.92 0.02 -1.26 0.18 135.00 144.66 1ggk s PRO 161 Ca 0.05 2.43 0.09 0.00 0.02 0.00 0.00 61.00 63.59 1ggk s PRO 161 Cb -0.14 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 1ggk s PRO 161 CO -0.07 -0.48 -0.14 0.14 -0.33 0.00 0.00 177.00 176.12 1ggk s VAL 162 N -0.39 1.98 -0.08 3.83 -7.23 0.11 -1.73 120.40 116.90 1ggk s VAL 162 Ca 0.58 -2.26 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1ggk s VAL 162 Cb -0.44 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1ggk s VAL 162 CO 0.50 -0.46 -0.04 0.12 -0.31 0.00 0.00 175.10 174.92 1ggk s PHE 163 N -2.82 0.94 -0.00 2.82 5.36 -0.38 -2.21 117.98 121.70 1ggk s PHE 163 Ca 0.27 -0.35 0.08 0.00 -0.96 0.00 0.00 56.93 55.97 1ggk s PHE 163 Cb -0.01 -0.90 -0.02 0.00 -0.34 0.00 0.00 43.02 41.75 1ggk s PHE 163 CO 0.11 -0.34 -0.26 0.08 -1.46 0.00 0.00 175.22 173.34 1ggk s VAL 164 N 1.59 2.07 -0.15 3.12 1.01 -0.48 -0.11 120.40 127.45 1ggk s VAL 164 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 1ggk s VAL 164 Cb -0.13 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1ggk s VAL 164 CO -0.04 0.52 -0.01 -0.60 0.00 0.00 0.00 175.10 174.96 1ggk s ARG 165 N -0.79 1.02 0.05 2.72 3.52 0.17 -1.14 118.95 124.51 1ggk s ARG 165 Ca 0.10 -0.35 -0.14 0.00 -0.13 0.00 0.00 55.73 55.22 1ggk s ARG 165 Cb -0.10 -1.81 -0.06 0.00 -1.56 0.00 0.00 34.95 31.42 1ggk s ARG 165 CO -0.00 -0.47 0.45 -0.06 -0.81 0.00 0.00 175.30 174.41 1ggk s PHE 166 N 1.77 3.68 0.29 5.12 0.40 -0.47 -1.30 117.98 127.48 1ggk s PHE 166 Ca 0.01 0.98 -0.15 0.00 -0.60 0.00 0.00 56.93 57.17 1ggk s PHE 166 Cb -0.15 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.10 1ggk s PHE 166 CO -0.07 0.57 0.63 -1.54 0.70 0.00 0.00 175.22 175.50 1ggk s SER 167 N -1.37 -0.05 0.32 1.36 1.04 -0.91 -0.72 113.70 113.36 1ggk s SER 167 Ca 0.29 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1ggk s SER 167 Cb -0.16 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1ggk s SER 167 CO 0.16 -1.33 0.00 0.35 0.98 0.00 0.00 173.24 173.40 1ggk n THR 168 N -0.46 0.00 -0.01 2.02 -2.24 -0.49 -0.33 114.28 112.77 1ggk n THR 168 Ca -0.03 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 1ggk n THR 168 Cb 0.60 -1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.47 1ggk n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ggk n VAL 169 N -1.24 0.58 -0.05 2.28 0.31 -1.24 -4.06 118.33 114.91 1ggk n VAL 169 Ca 0.00 0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 1ggk n VAL 169 Cb 0.00 -1.62 -0.12 0.00 -0.91 0.00 0.00 33.84 31.20 1ggk n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ggk h GLN 170 N -0.18 -0.01 -7.25 5.55 -0.00 -1.96 -2.31 115.11 108.95 1ggk h GLN 170 Ca -0.09 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.04 1ggk h GLN 170 Cb 0.84 0.00 0.15 0.00 0.00 0.00 0.00 27.48 28.47 1ggk h GLN 170 CO -0.06 0.83 0.32 0.20 0.00 0.00 0.00 178.83 180.12 1ggk s GLY 171 N -3.98 1.91 1.15 2.39 0.00 -1.26 -4.78 107.32 102.75 1ggk s GLY 171 Ca -0.17 0.54 -0.19 0.00 0.00 0.00 0.00 44.72 44.90 1ggk s GLY 171 CO 0.64 0.92 1.21 -0.32 0.00 0.00 0.00 173.10 175.55 1ggk s GLY 172 N -2.75 1.68 0.56 0.20 0.00 -1.26 -3.97 107.32 101.78 1ggk s GLY 172 Ca 0.67 -1.17 0.32 0.00 0.00 0.00 0.00 44.72 44.54 1ggk s GLY 172 CO 0.52 -0.27 2.14 0.00 0.00 0.00 0.00 173.10 175.48 1ggk h ALA 173 N -2.36 1.21 -0.55 3.20 0.00 -1.95 -2.15 119.26 116.66 1ggk h ALA 173 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ggk h ALA 173 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ggk h ALA 173 CO 0.30 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1ggk n GLY 174 N -0.72 3.08 3.94 0.00 0.00 -1.26 -4.67 105.19 105.56 1ggk n GLY 174 Ca -0.02 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 1ggk n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ggk s SER 175 N -0.98 3.52 0.38 1.61 1.04 -0.81 -5.07 113.70 113.40 1ggk s SER 175 Ca 0.52 0.17 -0.10 0.00 0.48 0.00 0.00 55.95 57.02 1ggk s SER 175 Cb 0.38 -0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.11 1ggk s SER 175 CO 0.17 -2.46 0.73 0.00 0.98 0.00 0.00 173.24 172.67 1ggk s ALA 176 N -3.69 3.39 0.05 5.32 0.00 -1.26 -4.93 121.76 120.64 1ggk s ALA 176 Ca 0.71 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 1ggk s ALA 176 Cb -0.05 -2.64 -0.15 0.00 0.00 0.00 0.00 23.12 20.29 1ggk s ALA 176 CO 0.51 0.03 1.30 -0.44 0.00 0.00 0.00 175.76 177.16 1ggk h ASP 177 N 1.33 0.54 -0.84 0.00 3.45 -0.96 -3.38 116.42 116.57 1ggk h ASP 177 Ca -0.47 -0.55 -0.56 0.00 0.43 0.00 0.00 57.03 55.87 1ggk h ASP 177 Cb 1.19 -0.16 -0.24 0.00 -0.56 0.00 0.00 39.33 39.56 1ggk h ASP 177 CO 0.64 1.00 0.72 0.35 -1.57 0.00 0.00 179.24 180.38 1ggk n THR 178 N -4.37 3.34 -1.77 0.35 -2.24 -1.26 -4.91 114.28 103.42 1ggk n THR 178 Ca -0.06 -2.48 -0.29 0.00 -2.27 0.00 0.00 64.05 58.95 1ggk n THR 178 Cb 0.48 -1.17 0.10 0.00 -2.10 0.00 0.00 70.33 67.64 1ggk n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ggk s VAL 179 N -3.96 2.16 -0.34 2.28 -7.23 -1.26 -4.40 120.40 107.65 1ggk s VAL 179 Ca 0.54 0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 60.53 1ggk s VAL 179 Cb 0.43 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1ggk s VAL 179 CO -0.00 -0.07 0.79 -0.60 -0.31 0.00 0.00 175.10 174.91 1ggk s ARG 180 N -5.45 3.84 0.13 4.82 3.52 -1.26 -4.63 118.95 119.92 1ggk s ARG 180 Ca 0.62 0.43 -0.25 0.00 -0.13 0.00 0.00 55.73 56.40 1ggk s ARG 180 Cb -0.12 -3.78 0.08 0.00 -1.56 0.00 0.00 34.95 29.57 1ggk s ARG 180 CO 0.51 -0.79 1.07 0.34 -0.81 0.00 0.00 175.30 175.62 1ggk s ASP 181 N 1.76 -0.06 0.50 -2.12 3.68 -1.03 -4.57 116.67 114.82 1ggk s ASP 181 Ca 0.32 -0.47 -0.13 0.00 2.13 0.00 0.00 52.55 54.39 1ggk s ASP 181 Cb -0.13 0.42 -0.07 0.00 -1.45 0.00 0.00 42.92 41.69 1ggk s ASP 181 CO 0.15 -0.81 0.92 -0.63 0.13 0.00 0.00 175.17 174.94 1ggk s ILE 182 N -2.57 4.65 -0.05 4.11 -1.09 -1.26 -4.57 121.20 120.42 1ggk s ILE 182 Ca 0.18 0.95 0.04 0.00 -2.23 0.00 0.00 60.65 59.59 1ggk s ILE 182 Cb -0.01 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1ggk s ILE 182 CO 0.03 -0.73 -0.18 -0.13 -1.23 0.00 0.00 174.94 172.70 1ggk s ARG 183 N -4.22 2.51 0.31 2.79 1.81 -1.26 -3.60 118.95 117.30 1ggk s ARG 183 Ca 0.56 -0.77 -0.13 0.00 -1.72 0.00 0.00 55.73 53.67 1ggk s ARG 183 Cb -0.10 -2.31 -0.08 0.00 -0.45 0.00 0.00 34.95 32.01 1ggk s ARG 183 CO 0.36 0.55 0.70 0.20 -0.68 0.00 0.00 175.30 176.42 1ggk s GLY 184 N -0.54 2.28 -0.36 -3.53 0.00 0.55 -1.82 107.32 103.89 1ggk s GLY 184 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.77 1ggk s GLY 184 CO 0.01 0.13 0.36 -0.12 0.00 0.00 0.00 173.10 173.49 1ggk s PHE 185 N -1.99 -0.30 -0.15 1.90 2.19 0.19 -2.15 117.98 117.67 1ggk s PHE 185 Ca 0.52 -0.75 -0.04 0.00 0.33 0.00 0.00 56.93 56.99 1ggk s PHE 185 Cb -0.10 -0.42 -0.03 0.00 -1.31 0.00 0.00 43.02 41.15 1ggk s PHE 185 CO 0.20 -0.96 -0.02 0.00 1.83 0.00 0.00 175.22 176.26 1ggk s ALA 186 N 1.54 3.07 -0.10 11.12 0.00 -0.42 -0.93 121.76 136.05 1ggk s ALA 186 Ca 0.16 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1ggk s ALA 186 Cb -0.15 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1ggk s ALA 186 CO -0.07 0.26 -0.11 0.99 0.00 0.00 0.00 175.76 176.83 1ggk s THR 187 N 0.19 1.20 -0.25 0.00 2.01 -0.48 -0.66 115.64 117.65 1ggk s THR 187 Ca -0.01 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 1ggk s THR 187 Cb -0.14 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1ggk s THR 187 CO 0.02 0.39 0.12 -0.75 -0.69 0.00 0.00 174.62 173.71 1ggk s LYS 188 N 1.26 3.85 -0.27 4.92 2.20 0.84 -1.50 119.74 131.04 1ggk s LYS 188 Ca -0.02 -0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 55.10 1ggk s LYS 188 Cb -0.14 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1ggk s LYS 188 CO -0.04 -0.09 0.15 -0.06 -0.36 0.00 0.00 175.35 174.96 1ggk s PHE 189 N 1.41 3.18 -1.08 4.03 0.40 -0.34 -1.25 117.98 124.33 1ggk s PHE 189 Ca 0.06 -0.07 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 1ggk s PHE 189 Cb -0.15 -2.34 0.17 0.00 0.51 0.00 0.00 43.02 41.21 1ggk s PHE 189 CO 0.06 -0.23 1.26 0.71 0.70 0.00 0.00 175.22 177.71 1ggk s TYR 190 N 1.71 3.44 0.63 0.36 2.02 -0.71 -2.42 117.35 122.38 1ggk s TYR 190 Ca 0.07 -1.90 -0.04 0.00 -0.37 0.00 0.00 57.07 54.83 1ggk s TYR 190 Cb -0.16 -4.24 0.04 0.00 -0.40 0.00 0.00 41.96 37.21 1ggk s TYR 190 CO 0.09 -1.37 0.91 0.95 -1.57 0.00 0.00 175.55 174.56 1ggk s THR 191 N 1.67 2.75 -0.57 -0.71 -4.23 -0.72 -4.40 115.64 109.43 1ggk s THR 191 Ca 0.37 -0.33 0.25 0.00 -1.18 0.00 0.00 61.69 60.80 1ggk s THR 191 Cb -0.05 -3.12 0.28 0.00 1.34 0.00 0.00 72.50 70.96 1ggk s THR 191 CO -0.05 -0.11 1.75 -0.33 -0.54 0.00 0.00 174.62 175.35 1ggk h GLU 192 N -0.29 0.00 -0.17 3.99 5.08 -1.96 -3.01 114.58 118.21 1ggk h GLU 192 Ca -0.44 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 1ggk h GLU 192 Cb 1.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1ggk h GLU 192 CO 0.58 0.00 -0.19 0.39 -1.00 0.00 0.00 179.01 178.79 1ggk n GLU 193 N -2.35 1.81 0.00 2.33 1.02 -1.26 -4.87 120.64 117.31 1ggk n GLU 193 Ca 0.04 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 54.09 1ggk n GLU 193 Cb 0.35 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1ggk n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggk n GLY 194 N -1.10 2.89 3.76 0.62 0.00 -1.14 -4.70 105.19 105.52 1ggk n GLY 194 Ca 0.25 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1ggk n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggk s ILE 195 N -2.06 4.35 -0.14 -0.61 -1.09 -1.26 -1.76 121.20 118.62 1ggk s ILE 195 Ca 0.00 1.87 0.01 0.00 -2.23 0.00 0.00 60.65 60.30 1ggk s ILE 195 Cb 0.00 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1ggk s ILE 195 CO 0.00 0.46 -0.16 0.12 -1.23 0.00 0.00 174.94 174.13 1ggk s PHE 196 N -0.82 2.29 -0.22 3.97 5.36 -1.02 -4.28 117.98 123.27 1ggk s PHE 196 Ca 0.40 -1.25 -0.06 0.00 -0.96 0.00 0.00 56.93 55.06 1ggk s PHE 196 Cb -0.24 -1.64 -0.03 0.00 -0.34 0.00 0.00 43.02 40.78 1ggk s PHE 196 CO 0.28 -0.65 0.03 -0.51 -1.46 0.00 0.00 175.22 172.92 1ggk s ASP 197 N 1.26 4.98 -0.49 6.13 -0.00 -0.33 -1.20 116.67 127.03 1ggk s ASP 197 Ca 0.01 -0.20 -0.07 0.00 -0.00 0.00 0.00 52.55 52.29 1ggk s ASP 197 Cb -0.14 -1.87 0.13 0.00 -0.00 0.00 0.00 42.92 41.04 1ggk s ASP 197 CO -0.08 0.02 0.35 -0.22 -0.00 0.00 0.00 175.17 175.24 1ggk s LEU 198 N 1.27 5.62 -0.66 1.23 0.20 -0.56 -4.49 118.68 121.28 1ggk s LEU 198 Ca 0.04 -2.08 -0.10 0.00 0.69 0.00 0.00 54.13 52.68 1ggk s LEU 198 Cb -0.15 -1.97 0.17 0.00 -0.43 0.00 0.00 46.19 43.82 1ggk s LEU 198 CO 0.02 -0.63 0.56 -0.69 -0.29 0.00 0.00 176.35 175.33 1ggk s VAL 199 N 1.11 4.78 0.00 1.68 1.01 -1.26 -1.38 120.40 126.33 1ggk s VAL 199 Ca 0.08 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.74 1ggk s VAL 199 Cb -0.24 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1ggk s VAL 199 CO -0.02 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.77 1ggk n GLY 200 N 4.21 4.20 2.15 4.51 0.00 -0.10 -4.92 105.19 115.24 1ggk n GLY 200 Ca 0.04 -2.15 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 1ggk n GLY 200 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ggk n HIS 201 N 0.00 0.01 -0.82 1.61 8.25 -0.93 -0.63 115.22 122.71 1ggk n HIS 201 Ca 0.00 -1.70 0.08 0.00 -0.26 0.00 0.00 57.72 55.84 1ggk n HIS 201 Cb 0.00 0.02 0.29 0.00 1.12 0.00 0.00 29.99 31.42 1ggk n HIS 201 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ggk n ASN 202 N -1.77 4.29 -3.92 0.41 6.94 -0.76 -0.62 115.26 119.83 1ggk n ASN 202 Ca -0.03 -2.80 -0.10 0.00 -0.02 0.00 0.00 54.58 51.64 1ggk n ASN 202 Cb 0.39 -0.54 -0.11 0.00 -2.36 0.00 0.00 39.78 37.16 1ggk n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ggk s THR 203 N -2.45 0.08 -2.00 5.53 -4.23 -1.26 -4.68 115.64 106.63 1ggk s THR 203 Ca 0.44 -0.67 0.22 0.00 -1.18 0.00 0.00 61.69 60.50 1ggk s THR 203 Cb 0.33 -0.28 0.62 0.00 1.34 0.00 0.00 72.50 74.51 1ggk s THR 203 CO 0.13 -0.37 1.82 -0.81 -0.54 0.00 0.00 174.62 174.85 1ggk n PRO 204 N 1.84 0.96 -4.22 3.99 -0.04 -1.26 -4.62 135.00 131.64 1ggk n PRO 204 Ca -0.21 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.12 1ggk n PRO 204 Cb 0.56 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1ggk n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ggk s ILE 205 N -2.00 0.16 0.47 0.52 -0.00 -1.26 -4.56 121.20 114.54 1ggk s ILE 205 Ca 0.33 -1.99 0.04 0.00 -0.00 0.00 0.00 60.65 59.03 1ggk s ILE 205 Cb 0.15 -2.48 -0.03 0.00 -0.00 0.00 0.00 42.46 40.11 1ggk s ILE 205 CO 0.25 -0.06 0.11 0.12 -0.00 0.00 0.00 174.94 175.36 1ggk s PHE 206 N -4.04 2.13 0.25 1.37 2.19 -0.61 -4.92 117.98 114.35 1ggk s PHE 206 Ca 0.37 -0.80 0.10 0.00 0.33 0.00 0.00 56.93 56.93 1ggk s PHE 206 Cb 0.07 -1.77 0.28 0.00 -1.31 0.00 0.00 43.02 40.29 1ggk s PHE 206 CO 0.11 0.15 1.57 0.74 1.83 0.00 0.00 175.22 179.62 1ggk h PHE 207 N 1.36 0.01 -3.25 10.12 -1.00 -1.88 -3.40 116.94 118.90 1ggk h PHE 207 Ca -0.43 -0.01 -0.39 0.00 2.81 0.00 0.00 57.97 59.96 1ggk h PHE 207 Cb 1.28 -0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.70 1ggk h PHE 207 CO 1.07 0.67 -0.65 0.96 -1.61 0.00 0.00 178.31 178.75 1ggk s ILE 208 N -3.50 1.08 -0.19 -0.55 -4.36 -1.26 -2.72 121.20 109.69 1ggk s ILE 208 Ca -0.01 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.35 1ggk s ILE 208 Cb 0.12 -2.39 -0.21 0.00 1.25 0.00 0.00 42.46 41.23 1ggk s ILE 208 CO 0.77 -0.29 0.05 0.00 0.24 0.00 0.00 174.94 175.71 1ggk n GLN 209 N -0.45 0.69 -4.90 0.37 6.02 -1.26 -4.64 117.38 113.22 1ggk n GLN 209 Ca -0.05 0.18 -0.33 0.00 -0.01 0.00 0.00 57.00 56.80 1ggk n GLN 209 Cb 0.64 -1.60 -0.13 0.00 1.02 0.00 0.00 30.24 30.17 1ggk n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ggk s ASP 210 N -6.58 3.99 0.52 1.08 -1.08 -1.26 -2.60 116.67 110.74 1ggk s ASP 210 Ca -0.27 -0.22 0.22 0.00 -0.52 0.00 0.00 52.55 51.76 1ggk s ASP 210 Cb 0.08 -0.89 1.40 0.00 -1.46 0.00 0.00 42.92 42.05 1ggk s ASP 210 CO 0.69 0.33 2.13 0.00 0.52 0.00 0.00 175.17 178.84 1ggk h ALA 211 N 5.45 1.64 -0.37 3.66 0.00 -1.77 -0.61 119.26 127.26 1ggk h ALA 211 Ca -0.45 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.50 1ggk h ALA 211 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1ggk h ALA 211 CO 0.50 0.09 0.27 1.25 0.00 0.00 0.00 179.25 181.36 1ggk h HIS 212 N 0.00 0.02 -0.15 0.00 6.17 -1.95 0.00 115.15 119.24 1ggk h HIS 212 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1ggk h HIS 212 Cb 0.15 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.07 1ggk h HIS 212 CO 0.00 0.01 0.00 1.63 0.71 0.00 0.00 177.93 180.28 1ggk n LYS 213 N -4.43 1.74 0.03 5.26 4.76 -0.24 -4.55 118.16 120.74 1ggk n LYS 213 Ca 0.06 -1.11 -0.10 0.00 -2.87 0.00 0.00 58.31 54.28 1ggk n LYS 213 Cb 0.44 -1.41 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 1ggk n LYS 213 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1ggk h PHE 214 N 2.32 -0.59 -0.92 2.13 3.04 -1.10 -1.53 116.94 120.29 1ggk h PHE 214 Ca 0.00 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.98 1ggk h PHE 214 Cb 0.50 0.27 -0.05 0.00 2.56 0.00 0.00 35.95 39.24 1ggk h PHE 214 CO 0.09 -0.31 0.61 -1.35 -2.02 0.00 0.00 178.31 175.33 1ggk h PRO 215 N -0.32 1.21 0.25 6.41 0.11 -1.81 -0.68 132.00 137.17 1ggk h PRO 215 Ca 0.08 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1ggk h PRO 215 Cb 0.43 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1ggk h PRO 215 CO -0.24 0.80 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.79 1ggk h ASP 216 N 1.24 -0.28 -0.34 -2.05 3.45 -1.72 -0.75 116.42 115.97 1ggk h ASP 216 Ca 0.34 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.78 1ggk h ASP 216 Cb -0.14 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.69 1ggk h ASP 216 CO -0.07 -0.18 0.20 0.15 -1.57 0.00 0.00 179.24 177.77 1ggk h PHE 217 N -0.36 0.46 -0.06 4.55 3.04 -0.97 -2.38 116.94 121.21 1ggk h PHE 217 Ca -0.03 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 1ggk h PHE 217 Cb 0.28 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 1ggk h PHE 217 CO -0.05 0.35 0.03 0.28 -2.02 0.00 0.00 178.31 176.90 1ggk h VAL 218 N 0.44 1.07 -0.87 1.41 2.07 -1.12 -2.25 116.25 117.00 1ggk h VAL 218 Ca 0.12 -0.20 0.16 0.00 0.82 0.00 0.00 66.70 67.61 1ggk h VAL 218 Cb 0.03 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1ggk h VAL 218 CO -0.02 0.06 0.57 0.45 0.02 0.00 0.00 177.57 178.64 1ggk h HIS 219 N 0.01 0.67 -0.16 1.57 3.86 -1.07 -0.51 115.15 119.52 1ggk h HIS 219 Ca 0.02 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 1ggk h HIS 219 Cb 0.07 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1ggk h HIS 219 CO -0.05 0.23 -0.58 0.00 0.86 0.00 0.00 177.93 178.39 1ggk h ALA 220 N 1.62 0.69 0.01 2.45 0.00 -0.96 -3.17 119.26 119.90 1ggk h ALA 220 Ca 0.44 -0.53 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1ggk h ALA 220 Cb 0.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1ggk h ALA 220 CO -0.18 0.70 -0.98 -0.24 0.00 0.00 0.00 179.25 178.54 1ggk h VAL 221 N 0.39 1.67 -4.13 0.00 3.04 -0.82 -2.77 116.25 113.63 1ggk h VAL 221 Ca 0.00 -3.26 -0.46 0.00 -1.01 0.00 0.00 66.70 61.97 1ggk h VAL 221 Cb 1.13 2.78 0.14 0.00 -2.01 0.00 0.00 31.29 33.33 1ggk h VAL 221 CO 0.11 0.93 0.27 -0.54 -1.01 0.00 0.00 177.57 177.33 1ggk s LYS 222 N -2.80 1.11 0.30 4.17 -0.14 -0.26 -4.73 119.74 117.38 1ggk s LYS 222 Ca 0.00 0.46 -0.28 0.00 -1.36 0.00 0.00 55.97 54.79 1ggk s LYS 222 Cb 0.10 -1.82 -0.14 0.00 -1.68 0.00 0.00 37.83 34.29 1ggk s LYS 222 CO 0.82 -2.25 0.98 -2.30 -0.76 0.00 0.00 175.35 171.84 1ggk n PRO 223 N -3.83 1.29 -2.00 -1.68 -0.02 -1.25 -4.81 135.00 122.70 1ggk n PRO 223 Ca 0.06 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.61 1ggk n PRO 223 Cb 0.58 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 32.25 1ggk n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ggk s GLU 224 N -1.56 3.56 0.46 -0.52 2.02 0.49 -4.70 118.70 118.45 1ggk s GLU 224 Ca 0.59 2.07 0.23 0.00 0.02 0.00 0.00 54.97 57.88 1ggk s GLU 224 Cb -0.70 -2.44 1.14 0.00 0.10 0.00 0.00 34.13 32.23 1ggk s GLU 224 CO 0.60 -0.80 1.95 -1.00 0.02 0.00 0.00 175.26 176.02 1ggk h PRO 225 N 1.97 0.00 0.04 0.39 0.13 -1.90 0.45 132.00 133.08 1ggk h PRO 225 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 1ggk h PRO 225 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ggk h PRO 225 CO 0.60 0.21 -0.35 1.12 -0.23 0.00 0.00 178.00 179.34 1ggk h HIS 226 N 0.00 0.27 -0.01 1.56 2.07 -1.97 -3.40 115.15 113.67 1ggk h HIS 226 Ca -0.00 -0.18 0.00 0.00 -2.85 0.00 0.00 60.37 57.34 1ggk h HIS 226 Cb 0.51 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.47 1ggk h HIS 226 CO 0.00 1.08 -0.06 -2.67 -3.07 0.00 0.00 177.93 173.21 1ggk n TRP 227 N -4.41 0.00 -3.39 6.12 4.27 -1.22 -5.05 117.44 113.76 1ggk n TRP 227 Ca -0.11 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.33 1ggk n TRP 227 Cb 0.60 0.00 0.09 0.00 -1.36 0.00 0.00 31.31 30.64 1ggk n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ggk n ALA 228 N 0.17 -2.00 -2.91 -1.67 0.00 0.16 -4.98 120.51 109.27 1ggk n ALA 228 Ca 0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 1ggk n ALA 228 Cb 0.18 -2.53 -0.14 0.00 0.00 0.00 0.00 19.45 16.96 1ggk n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ggk s ILE 229 N -3.35 0.19 0.22 0.00 1.01 -1.25 -4.68 121.20 113.33 1ggk s ILE 229 Ca 0.02 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.66 1ggk s ILE 229 Cb -0.00 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1ggk s ILE 229 CO 0.72 0.06 0.06 -2.16 0.00 0.00 0.00 174.94 173.62 1ggk s PRO 230 N 0.05 2.56 -0.03 2.79 0.04 -1.26 -0.38 135.00 138.77 1ggk s PRO 230 Ca -0.00 -1.15 -0.29 0.00 0.04 0.00 0.00 61.00 59.59 1ggk s PRO 230 Cb -0.02 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1ggk s PRO 230 CO -0.00 0.42 0.94 -1.14 0.04 0.00 0.00 177.00 177.26 1ggk s GLN 231 N -3.39 4.51 -1.52 4.56 2.00 -1.26 -3.96 119.66 120.60 1ggk s GLN 231 Ca 0.30 1.33 -0.04 0.00 -2.00 0.00 0.00 55.36 54.95 1ggk s GLN 231 Cb -0.08 -3.47 0.02 0.00 0.80 0.00 0.00 33.01 30.27 1ggk s GLN 231 CO 0.21 -0.08 0.46 0.41 -0.50 0.00 0.00 175.29 175.79 1ggk n GLY 232 N 2.98 -0.51 3.03 2.59 0.00 -1.26 -4.99 105.19 107.03 1ggk n GLY 232 Ca 0.05 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1ggk n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggk s GLN 233 N -5.62 0.18 0.00 1.61 -0.21 -1.26 -4.47 119.66 109.90 1ggk s GLN 233 Ca 0.26 0.21 0.24 0.00 0.02 0.00 0.00 55.36 56.08 1ggk s GLN 233 Cb -0.12 0.09 0.51 0.00 1.00 0.00 0.00 33.01 34.49 1ggk s GLN 233 CO 0.32 -0.02 1.44 -1.13 -2.12 0.00 0.00 175.29 173.78 1ggk n SER 234 N 2.98 2.63 -4.14 5.90 3.41 -1.26 -4.73 113.62 118.40 1ggk n SER 234 Ca -0.13 -1.86 -0.43 0.00 -0.26 0.00 0.00 58.87 56.20 1ggk n SER 234 Cb 0.59 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1ggk n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggk n ALA 235 N 1.00 4.68 -3.24 7.33 0.00 -1.26 -4.69 120.51 124.34 1ggk n ALA 235 Ca 0.17 -4.25 -0.10 0.00 0.00 0.00 0.00 53.44 49.26 1ggk n ALA 235 Cb 0.51 -3.06 -0.04 0.00 0.00 0.00 0.00 19.45 16.86 1ggk n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ggk s HIS 236 N 1.16 -0.15 0.17 0.00 -3.43 -1.26 -4.71 115.29 107.07 1ggk s HIS 236 Ca 0.42 -0.18 -0.16 0.00 -0.80 0.00 0.00 55.06 54.34 1ggk s HIS 236 Cb 0.04 0.37 0.11 0.00 -1.43 0.00 0.00 32.58 31.67 1ggk s HIS 236 CO 0.00 -0.86 1.70 -0.44 -2.00 0.00 0.00 174.74 173.13 1ggk h ASP 237 N 2.22 -0.17 -0.21 7.38 5.19 -1.89 -3.03 116.42 125.91 1ggk h ASP 237 Ca -0.30 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.17 1ggk h ASP 237 Cb 1.26 0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.93 1ggk h ASP 237 CO 0.39 -0.05 0.05 0.71 -3.12 0.00 0.00 179.24 177.22 1ggk h THR 238 N 0.10 1.15 -0.21 0.35 1.35 -1.95 -1.64 112.91 112.06 1ggk h THR 238 Ca 0.19 -0.56 -0.05 0.00 -0.55 0.00 0.00 66.41 65.44 1ggk h THR 238 Cb 0.28 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1ggk h THR 238 CO -0.33 0.20 -0.07 0.15 -0.25 0.00 0.00 175.52 175.22 1ggk h PHE 239 N 0.42 0.48 0.00 4.73 3.57 -1.36 -2.53 116.94 122.25 1ggk h PHE 239 Ca 0.10 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1ggk h PHE 239 Cb 0.20 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1ggk h PHE 239 CO 0.01 0.68 -0.41 -1.49 -2.23 0.00 0.00 178.31 174.87 1ggk h TRP 240 N 0.14 0.00 0.13 0.41 4.06 -1.56 -1.18 115.95 117.95 1ggk h TRP 240 Ca 0.05 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.00 1ggk h TRP 240 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1ggk h TRP 240 CO 0.06 0.41 -0.10 0.22 -3.56 0.00 0.00 178.44 175.47 1ggk h ASP 241 N 0.00 -0.24 -0.37 -3.49 3.58 -1.24 -1.25 116.42 113.41 1ggk h ASP 241 Ca -0.00 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 1ggk h ASP 241 Cb 0.85 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 1ggk h ASP 241 CO 0.05 -0.15 0.09 0.22 -2.88 0.00 0.00 179.24 176.57 1ggk h TYR 242 N -0.23 0.61 -0.82 0.28 5.03 -1.10 -2.76 116.97 117.98 1ggk h TYR 242 Ca -0.01 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.25 1ggk h TYR 242 Cb 0.20 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.27 1ggk h TYR 242 CO -0.10 0.60 0.54 0.28 -1.32 0.00 0.00 178.16 178.16 1ggk h VAL 243 N 0.44 1.19 0.00 1.81 2.07 -1.07 -1.28 116.25 119.41 1ggk h VAL 243 Ca 0.12 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1ggk h VAL 243 Cb 0.29 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1ggk h VAL 243 CO 0.00 0.20 -0.19 0.77 0.02 0.00 0.00 177.57 178.37 1ggk h SER 244 N 1.09 0.00 -0.01 0.57 4.64 -1.00 -2.75 113.55 116.09 1ggk h SER 244 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1ggk h SER 244 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1ggk h SER 244 CO -0.08 0.19 -0.76 0.18 -0.87 0.00 0.00 176.83 175.50 1ggk n LEU 245 N -3.76 1.42 -3.60 5.97 4.77 -0.88 -4.73 117.00 116.18 1ggk n LEU 245 Ca -0.02 -0.61 -0.28 0.00 -0.03 0.00 0.00 56.01 55.07 1ggk n LEU 245 Cb 0.30 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1ggk n LEU 245 CO 0.33 0.30 -0.25 -1.10 -1.33 0.00 0.00 177.39 175.34 1ggk s GLN 246 N -2.73 1.24 0.41 3.23 -1.52 -0.54 -5.00 119.66 114.76 1ggk s GLN 246 Ca 0.12 -2.15 0.28 0.00 -1.95 0.00 0.00 55.36 51.66 1ggk s GLN 246 Cb 0.16 -2.06 1.48 0.00 -0.22 0.00 0.00 33.01 32.37 1ggk s GLN 246 CO 0.72 -1.26 1.85 -1.35 -0.25 0.00 0.00 175.29 175.00 1ggk h PRO 247 N 6.21 0.00 0.00 2.91 0.11 -1.85 -1.73 132.00 137.65 1ggk h PRO 247 Ca 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ggk h PRO 247 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ggk h PRO 247 CO 0.45 0.00 -0.02 1.05 -0.21 0.00 0.00 178.00 179.27 1ggk h GLU 248 N 0.00 0.00 0.00 1.05 4.11 -1.89 -2.10 114.58 115.75 1ggk h GLU 248 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ggk h GLU 248 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ggk h GLU 248 CO 0.00 0.02 0.00 1.79 0.07 0.00 0.00 179.01 180.89 1ggk h THR 249 N 0.00 0.00 -0.90 -1.06 1.35 -1.10 -3.36 112.91 107.83 1ggk h THR 249 Ca -0.00 -0.35 0.06 0.00 -0.55 0.00 0.00 66.41 65.57 1ggk h THR 249 Cb 0.03 1.19 -0.06 0.00 -1.73 0.00 0.00 68.15 67.58 1ggk h THR 249 CO 0.00 0.00 0.59 -0.07 -0.25 0.00 0.00 175.52 175.79 1ggk h LEU 250 N 0.00 0.90 -0.09 3.87 3.38 -1.58 -2.54 115.31 119.24 1ggk h LEU 250 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ggk h LEU 250 Cb 0.51 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ggk h LEU 250 CO 0.00 0.58 0.06 -0.74 0.09 0.00 0.00 178.44 178.43 1ggk h HIS 251 N 1.03 0.12 0.00 1.13 2.76 -1.81 -0.92 115.15 117.46 1ggk h HIS 251 Ca 0.38 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.51 1ggk h HIS 251 Cb 0.19 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1ggk h HIS 251 CO -0.00 0.11 -0.20 -0.97 -1.30 0.00 0.00 177.93 175.56 1ggk h ASN 252 N 0.09 0.00 -0.52 3.26 -0.00 -1.78 -2.23 115.58 114.41 1ggk h ASN 252 Ca 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.22 1ggk h ASN 252 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.33 1ggk h ASN 252 CO -0.01 0.20 -0.13 0.58 -0.00 0.00 0.00 177.43 178.07 1ggk h VAL 253 N 0.00 1.27 -0.26 2.57 2.07 -1.27 -0.31 116.25 120.33 1ggk h VAL 253 Ca -0.00 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.27 1ggk h VAL 253 Cb 0.85 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1ggk h VAL 253 CO 0.03 0.45 -0.04 0.24 0.02 0.00 0.00 177.57 178.27 1ggk h MET 254 N 0.88 0.03 -0.85 1.57 2.86 -0.55 -1.47 114.93 117.40 1ggk h MET 254 Ca 0.13 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 1ggk h MET 254 Cb 0.71 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.30 1ggk h MET 254 CO 0.05 0.02 0.53 -1.49 1.06 0.00 0.00 176.91 177.08 1ggk h TRP 255 N 0.03 0.97 -0.28 -0.22 4.06 -1.22 -2.64 115.95 116.66 1ggk h TRP 255 Ca 0.12 0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.95 1ggk h TRP 255 Cb 0.18 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.01 1ggk h TRP 255 CO -0.23 0.50 -0.44 0.00 -3.56 0.00 0.00 178.44 174.71 1ggk h ALA 256 N 1.39 0.69 0.00 1.49 0.00 -0.55 -2.92 119.26 119.36 1ggk h ALA 256 Ca 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ggk h ALA 256 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ggk h ALA 256 CO -0.17 0.67 0.00 -1.33 0.00 0.00 0.00 179.25 178.42 1ggk n MET 257 N -4.02 0.11 -1.41 0.00 2.81 -0.60 -3.90 117.12 110.10 1ggk n MET 257 Ca -0.02 0.15 -0.19 0.00 -1.81 0.00 0.00 57.70 55.82 1ggk n MET 257 Cb 0.55 -1.64 0.13 0.00 -0.71 0.00 0.00 33.22 31.55 1ggk n MET 257 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1ggk n SER 258 N -1.84 0.22 0.04 7.83 3.41 -1.00 -4.17 113.62 118.11 1ggk n SER 258 Ca 0.06 -1.41 0.09 0.00 -0.26 0.00 0.00 58.87 57.35 1ggk n SER 258 Cb 0.34 -0.65 0.39 0.00 -0.26 0.00 0.00 64.21 64.03 1ggk n SER 258 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ggk n ASP 259 N -3.48 0.23 0.04 4.04 10.43 -1.26 -2.35 116.55 124.20 1ggk n ASP 259 Ca 0.11 0.55 0.14 0.00 2.57 0.00 0.00 54.79 58.16 1ggk n ASP 259 Cb 0.40 -0.60 0.60 0.00 1.84 0.00 0.00 41.12 43.36 1ggk n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1ggk h ARG 260 N 0.00 0.16 0.00 -1.24 2.47 -1.88 -2.15 114.38 111.73 1ggk h ARG 260 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1ggk h ARG 260 Cb 0.33 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1ggk h ARG 260 CO 0.00 0.11 0.00 0.41 0.56 0.00 0.00 179.97 181.05 1ggk n GLY 261 N -1.57 -0.84 2.30 0.04 0.00 -0.99 -4.15 105.19 99.98 1ggk n GLY 261 Ca 0.06 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1ggk n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ggk n ILE 262 N -1.43 -0.67 -1.89 -0.61 -5.35 -0.81 -2.46 119.36 106.14 1ggk n ILE 262 Ca 0.04 -3.56 -0.36 0.00 -0.27 0.00 0.00 62.75 58.60 1ggk n ILE 262 Cb 0.13 -1.43 0.05 0.00 -1.74 0.00 0.00 39.64 36.65 1ggk n ILE 262 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1ggk s PRO 263 N -0.74 2.78 0.27 6.28 0.04 -1.26 -0.93 135.00 141.44 1ggk s PRO 263 Ca 0.34 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.35 1ggk s PRO 263 Cb 0.16 -1.89 0.39 0.00 0.04 0.00 0.00 34.50 33.19 1ggk s PRO 263 CO -0.14 -1.38 1.67 -0.09 0.04 0.00 0.00 177.00 177.10 1ggk h ARG 264 N 0.72 0.32 -2.82 4.56 9.65 -1.61 -3.41 114.38 121.79 1ggk h ARG 264 Ca -0.51 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 58.23 1ggk h ARG 264 Cb 1.31 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.77 1ggk h ARG 264 CO 0.54 0.68 0.28 0.45 2.80 0.00 0.00 179.97 184.72 1ggk s SER 265 N -6.87 -0.52 0.54 -3.80 0.15 -1.26 -4.95 113.70 96.98 1ggk s SER 265 Ca -0.05 0.01 0.30 0.00 0.70 0.00 0.00 55.95 56.90 1ggk s SER 265 Cb 0.13 0.55 1.55 0.00 -1.71 0.00 0.00 66.02 66.54 1ggk s SER 265 CO 0.79 -0.88 2.10 1.88 1.20 0.00 0.00 173.24 178.32 1ggk h TYR 266 N 2.01 0.00 0.00 3.44 0.05 -1.90 -1.48 116.97 119.09 1ggk h TYR 266 Ca -0.31 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.35 1ggk h TYR 266 Cb 1.29 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.02 1ggk h TYR 266 CO 0.24 0.09 -0.56 0.00 -1.05 0.00 0.00 178.16 176.88 1ggk h ARG 267 N 0.00 0.00 -1.55 4.88 3.08 -1.96 -3.33 114.38 115.50 1ggk h ARG 267 Ca -0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1ggk h ARG 267 Cb 0.31 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.02 1ggk h ARG 267 CO 0.01 0.56 0.23 0.25 -1.07 0.00 0.00 179.97 179.95 1ggk n THR 268 N -3.81 3.08 -4.06 2.04 -2.24 -0.56 -4.47 114.28 104.26 1ggk n THR 268 Ca -0.01 -4.30 -0.09 0.00 -2.27 0.00 0.00 64.05 57.38 1ggk n THR 268 Cb 0.57 -1.23 -0.11 0.00 -2.10 0.00 0.00 70.33 67.47 1ggk n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ggk s MET 269 N -3.81 0.54 0.56 -0.78 0.23 -1.25 -2.07 119.30 112.72 1ggk s MET 269 Ca 0.52 -0.98 -0.05 0.00 -1.03 0.00 0.00 55.69 54.16 1ggk s MET 269 Cb 0.43 0.04 0.00 0.00 -1.53 0.00 0.00 34.83 33.78 1ggk s MET 269 CO -0.23 -0.05 0.85 -1.21 -2.03 0.00 0.00 175.02 172.35 1ggk s GLU 270 N -2.79 2.99 0.02 3.16 2.02 -1.26 -4.39 118.70 118.43 1ggk s GLU 270 Ca -0.02 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1ggk s GLU 270 Cb -0.01 -2.33 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 1ggk s GLU 270 CO -0.05 -0.59 -0.03 0.20 0.02 0.00 0.00 175.26 174.82 1ggk s GLY 271 N -4.28 0.19 0.03 -1.39 0.00 -0.68 -4.29 107.32 96.90 1ggk s GLY 271 Ca 0.52 -0.43 -0.03 0.00 0.00 0.00 0.00 44.72 44.79 1ggk s GLY 271 CO 0.44 -0.48 0.03 -1.36 0.00 0.00 0.00 173.10 171.73 1ggk s PHE 272 N -1.03 0.26 -0.42 1.90 0.08 0.21 -0.22 117.98 118.76 1ggk s PHE 272 Ca -0.11 -0.57 0.23 0.00 0.12 0.00 0.00 56.93 56.61 1ggk s PHE 272 Cb -0.07 -0.19 0.21 0.00 -0.57 0.00 0.00 43.02 42.40 1ggk s PHE 272 CO -0.01 -0.29 1.27 0.78 -0.10 0.00 0.00 175.22 176.88 1ggk h GLY 273 N 4.05 0.00 0.00 4.36 0.00 -1.52 -2.46 103.07 107.50 1ggk h GLY 273 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1ggk h GLY 273 CO 0.48 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.41 1ggk n ILE 274 N -2.56 0.00 -2.20 2.60 5.41 -1.26 -4.87 119.36 116.48 1ggk n ILE 274 Ca 0.02 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.42 1ggk n ILE 274 Cb 0.51 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.44 1ggk n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1ggk s HIS 275 N 0.00 2.66 0.10 1.39 3.76 -1.26 -4.92 115.29 117.01 1ggk s HIS 275 Ca 0.00 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.15 1ggk s HIS 275 Cb 0.00 -3.28 -0.06 0.00 1.11 0.00 0.00 32.58 30.36 1ggk s HIS 275 CO 0.00 -1.59 1.01 0.99 -0.85 0.00 0.00 174.74 174.30 1ggk s THR 276 N -1.84 4.42 0.45 1.30 2.01 -1.26 -4.61 115.64 116.10 1ggk s THR 276 Ca 0.72 1.93 0.00 0.00 0.31 0.00 0.00 61.69 64.66 1ggk s THR 276 Cb -0.23 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.04 1ggk s THR 276 CO 0.29 0.26 0.02 0.49 -0.69 0.00 0.00 174.62 174.98 1ggk n PHE 277 N 3.04 0.96 -4.74 4.92 3.72 0.18 -4.44 117.46 121.10 1ggk n PHE 277 Ca 0.04 -2.28 -0.26 0.00 -0.05 0.00 0.00 57.45 54.90 1ggk n PHE 277 Cb 0.49 -0.27 -0.15 0.00 -0.94 0.00 0.00 39.48 38.61 1ggk n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ggk s ARG 278 N -3.63 1.44 -0.12 -1.08 0.52 -0.65 -1.09 118.95 114.35 1ggk s ARG 278 Ca 0.02 -0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1ggk s ARG 278 Cb 0.00 -1.50 -0.02 0.00 0.52 0.00 0.00 34.95 33.95 1ggk s ARG 278 CO 0.02 0.39 -0.08 -0.51 0.02 0.00 0.00 175.30 175.14 1ggk s LEU 279 N -0.94 3.05 -0.14 2.53 1.43 0.43 -1.24 118.68 123.80 1ggk s LEU 279 Ca 0.07 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1ggk s LEU 279 Cb -0.08 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1ggk s LEU 279 CO 0.01 0.23 -0.20 -0.63 0.23 0.00 0.00 176.35 175.99 1ggk s ILE 280 N -0.03 2.26 0.30 -0.59 -1.09 -0.51 -0.77 121.20 120.78 1ggk s ILE 280 Ca -0.01 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.49 1ggk s ILE 280 Cb -0.14 -1.92 0.06 0.00 -1.58 0.00 0.00 42.46 38.89 1ggk s ILE 280 CO 0.03 0.54 0.42 -0.46 -1.23 0.00 0.00 174.94 174.24 1ggk n ASN 281 N 4.02 0.50 0.08 3.58 0.23 -0.86 -1.19 115.26 121.63 1ggk n ASN 281 Ca -0.20 -1.44 0.03 0.00 -0.53 0.00 0.00 54.58 52.45 1ggk n ASN 281 Cb 0.52 -0.27 0.42 0.00 -2.08 0.00 0.00 39.78 38.37 1ggk n ASN 281 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ggk h ALA 282 N -0.63 1.63 -0.04 -2.53 0.00 -1.87 -2.56 119.26 113.26 1ggk h ALA 282 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ggk h ALA 282 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ggk h ALA 282 CO 0.14 0.29 0.00 0.39 0.00 0.00 0.00 179.25 180.07 1ggk n GLU 283 N -4.38 1.25 -0.58 0.00 1.02 -1.26 -4.77 120.64 111.92 1ggk n GLU 283 Ca 0.01 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 1ggk n GLU 283 Cb 0.17 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1ggk n GLU 283 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggk n GLY 284 N 0.97 0.68 3.79 0.62 0.00 -0.96 -5.06 105.19 105.22 1ggk n GLY 284 Ca 0.18 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1ggk n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggk s LYS 285 N -0.72 4.35 -0.01 1.61 2.20 -1.26 -4.86 119.74 121.05 1ggk s LYS 285 Ca 0.00 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1ggk s LYS 285 Cb 0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1ggk s LYS 285 CO 0.00 0.54 0.04 0.00 -0.36 0.00 0.00 175.35 175.56 1ggk s ALA 286 N -0.85 3.42 -0.03 3.13 0.00 -1.26 -2.03 121.76 124.14 1ggk s ALA 286 Ca 0.32 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1ggk s ALA 286 Cb -0.20 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.47 1ggk s ALA 286 CO 0.21 0.66 -0.04 0.99 0.00 0.00 0.00 175.76 177.58 1ggk s THR 287 N -1.11 0.43 0.34 0.00 2.01 0.05 -4.38 115.64 112.99 1ggk s THR 287 Ca 0.20 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 1ggk s THR 287 Cb -0.12 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.85 1ggk s THR 287 CO 0.11 0.18 1.04 -0.36 -0.69 0.00 0.00 174.62 174.90 1ggk s PHE 288 N 0.71 3.47 -0.05 4.92 0.08 -0.74 -0.42 117.98 125.94 1ggk s PHE 288 Ca -0.09 1.70 -0.06 0.00 0.12 0.00 0.00 56.93 58.61 1ggk s PHE 288 Cb -0.12 -3.13 0.01 0.00 -0.57 0.00 0.00 43.02 39.22 1ggk s PHE 288 CO -0.00 -0.41 0.15 0.54 -0.10 0.00 0.00 175.22 175.41 1ggk s VAL 289 N -1.48 0.01 -0.07 -0.44 0.11 -0.25 -1.93 120.40 116.35 1ggk s VAL 289 Ca 0.52 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.54 1ggk s VAL 289 Cb -0.24 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 1ggk s VAL 289 CO 0.31 -0.03 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.75 1ggk s ARG 290 N -0.04 2.73 -0.04 1.54 0.52 -0.72 -0.65 118.95 122.29 1ggk s ARG 290 Ca -0.01 -0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 1ggk s ARG 290 Cb -0.02 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 1ggk s ARG 290 CO 0.00 0.47 0.37 -0.06 0.02 0.00 0.00 175.30 176.10 1ggk s PHE 291 N -0.34 3.68 0.10 -0.53 0.08 -1.26 -1.72 117.98 117.99 1ggk s PHE 291 Ca 0.03 0.90 0.07 0.00 0.12 0.00 0.00 56.93 58.04 1ggk s PHE 291 Cb -0.13 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1ggk s PHE 291 CO 0.02 0.59 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.56 1ggk s HIS 292 N -0.84 1.55 -0.12 0.36 3.76 -0.20 -1.37 115.29 118.43 1ggk s HIS 292 Ca 0.22 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1ggk s HIS 292 Cb -0.16 -0.84 0.02 0.00 1.11 0.00 0.00 32.58 32.71 1ggk s HIS 292 CO 0.11 0.16 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.44 1ggk s TRP 293 N -1.48 2.00 -0.24 1.40 0.52 0.70 -0.31 118.94 121.53 1ggk s TRP 293 Ca 0.05 -0.98 -0.06 0.00 0.02 0.00 0.00 56.10 55.14 1ggk s TRP 293 Cb -0.09 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.77 1ggk s TRP 293 CO 0.04 -0.52 0.02 0.21 0.02 0.00 0.00 176.95 176.72 1ggk s LYS 294 N 1.11 3.51 -0.17 4.98 2.20 -0.07 -1.68 119.74 129.61 1ggk s LYS 294 Ca -0.04 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 1ggk s LYS 294 Cb -0.14 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1ggk s LYS 294 CO -0.04 -0.21 1.13 -1.25 -0.36 0.00 0.00 175.35 174.63 1ggk s PRO 295 N 1.55 4.28 0.14 4.03 0.04 -1.26 0.37 135.00 144.15 1ggk s PRO 295 Ca 0.06 1.51 0.22 0.00 0.04 0.00 0.00 61.00 62.83 1ggk s PRO 295 Cb -0.15 -3.66 0.89 0.00 0.04 0.00 0.00 34.50 31.62 1ggk s PRO 295 CO 0.01 -0.59 1.69 1.28 0.04 0.00 0.00 177.00 179.42 1ggk n LEU 296 N 6.12 0.41 -0.05 -3.56 4.77 -0.72 -1.49 117.00 122.48 1ggk n LEU 296 Ca 0.12 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.82 1ggk n LEU 296 Cb 0.46 -0.49 0.59 0.00 -2.33 0.00 0.00 43.42 41.64 1ggk n LEU 296 CO 0.54 -0.32 0.86 0.00 -1.33 0.00 0.00 177.39 177.14 1ggk n ALA 297 N -1.66 2.72 0.00 -1.18 0.00 -1.26 -4.88 120.51 114.24 1ggk n ALA 297 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ggk n ALA 297 Cb 0.27 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1ggk n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ggk n GLY 298 N 1.37 -0.07 3.80 0.00 0.00 -0.56 -3.43 105.19 106.30 1ggk n GLY 298 Ca 0.11 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1ggk n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ggk s LYS 299 N -1.48 3.83 -0.22 1.61 1.02 -1.26 -4.25 119.74 118.99 1ggk s LYS 299 Ca 0.00 -0.17 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 1ggk s LYS 299 Cb 0.00 -3.31 0.07 0.00 -0.52 0.00 0.00 37.83 34.07 1ggk s LYS 299 CO 0.00 0.53 0.71 0.00 -0.92 0.00 0.00 175.35 175.67 1ggk s ALA 300 N -0.30 -1.78 0.18 5.17 0.00 -0.88 -4.81 121.76 119.34 1ggk s ALA 300 Ca 0.11 1.86 0.01 0.00 0.00 0.00 0.00 51.96 53.95 1ggk s ALA 300 Cb -0.12 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1ggk s ALA 300 CO 0.01 -0.35 0.02 -1.12 0.00 0.00 0.00 175.76 174.33 1ggk s SER 301 N 0.01 1.06 0.91 0.00 0.01 -1.26 -1.76 113.70 112.66 1ggk s SER 301 Ca -0.03 -1.21 -0.13 0.00 1.31 0.00 0.00 55.95 55.89 1ggk s SER 301 Cb -0.04 0.15 0.18 0.00 0.21 0.00 0.00 66.02 66.53 1ggk s SER 301 CO 0.03 -0.62 1.25 -0.76 0.41 0.00 0.00 173.24 173.56 1ggk s LEU 302 N -3.17 2.75 0.15 2.44 1.43 -0.11 -4.64 118.68 117.54 1ggk s LEU 302 Ca 0.26 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 1ggk s LEU 302 Cb 0.07 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1ggk s LEU 302 CO 0.05 -2.52 0.02 0.68 0.23 0.00 0.00 176.35 174.81 1ggk s VAL 303 N -3.74 3.92 0.20 -1.59 -7.23 -1.26 -4.92 120.40 105.78 1ggk s VAL 303 Ca 0.72 -1.27 -0.16 0.00 -1.81 0.00 0.00 61.98 59.46 1ggk s VAL 303 Cb -0.05 -2.96 0.18 0.00 0.56 0.00 0.00 36.38 34.12 1ggk s VAL 303 CO 0.51 -0.06 1.62 -0.25 -0.31 0.00 0.00 175.10 176.61 1ggk h TRP 304 N 2.80 -0.44 -0.77 2.82 2.91 -1.98 -2.07 115.95 119.21 1ggk h TRP 304 Ca -0.47 0.05 0.06 0.00 1.13 0.00 0.00 58.89 59.66 1ggk h TRP 304 Cb 1.19 0.28 -0.06 0.00 -0.51 0.00 0.00 29.16 30.07 1ggk h TRP 304 CO 0.61 -0.28 0.47 0.22 -1.03 0.00 0.00 178.44 178.43 1ggk h ASP 305 N -0.05 0.73 0.07 2.65 1.82 -1.99 0.21 116.42 119.86 1ggk h ASP 305 Ca 0.26 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1ggk h ASP 305 Cb 0.46 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.34 1ggk h ASP 305 CO -0.60 0.47 -0.03 -0.08 -1.61 0.00 0.00 179.24 177.39 1ggk h GLU 306 N 0.87 -0.09 -0.44 0.28 4.81 -1.90 -2.57 114.58 115.53 1ggk h GLU 306 Ca 0.34 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1ggk h GLU 306 Cb 0.15 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1ggk h GLU 306 CO -0.17 -0.01 0.19 0.00 -0.73 0.00 0.00 179.01 178.29 1ggk h ALA 307 N 0.78 0.57 -0.46 2.92 0.00 -0.81 -0.03 119.26 122.24 1ggk h ALA 307 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ggk h ALA 307 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ggk h ALA 307 CO 0.02 0.17 0.11 0.37 0.00 0.00 0.00 179.25 179.91 1ggk h GLN 308 N 0.57 0.73 -0.04 0.00 4.15 -0.59 -2.75 115.11 117.18 1ggk h GLN 308 Ca 0.15 -0.18 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 1ggk h GLN 308 Cb 0.17 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1ggk h GLN 308 CO -0.01 0.73 -0.37 -0.22 -1.93 0.00 0.00 178.83 177.02 1ggk h LYS 309 N 0.61 0.08 0.00 1.69 3.64 -1.34 -2.46 116.57 118.79 1ggk h LYS 309 Ca 0.14 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1ggk h LYS 309 Cb 0.33 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1ggk h LYS 309 CO 0.00 0.45 -0.22 1.25 -2.27 0.00 0.00 179.45 178.66 1ggk h LEU 310 N 0.07 0.00 -1.69 5.20 5.85 -0.77 -1.43 115.31 122.53 1ggk h LEU 310 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1ggk h LEU 310 Cb 0.70 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1ggk h LEU 310 CO 0.05 0.22 -0.17 0.71 -0.34 0.00 0.00 178.44 178.91 1ggk h THR 311 N 0.00 0.67 0.02 1.05 1.35 -1.15 -1.78 112.91 113.07 1ggk h THR 311 Ca -0.00 -0.72 -0.19 0.00 -0.55 0.00 0.00 66.41 64.95 1ggk h THR 311 Cb 0.74 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 1ggk h THR 311 CO 0.03 0.17 -0.99 1.23 -0.25 0.00 0.00 175.52 175.70 1ggk h GLY 312 N 1.07 0.05 1.35 5.82 0.00 -1.52 -3.18 103.07 106.67 1ggk h GLY 312 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1ggk h GLY 312 CO 0.02 0.11 -0.13 3.21 0.00 0.00 0.00 176.54 179.75 1ggk h ARG 313 N -0.87 0.76 -1.76 4.80 2.47 -1.24 -3.40 114.38 115.15 1ggk h ARG 313 Ca -0.26 -0.26 -0.27 0.00 -1.26 0.00 0.00 59.98 57.93 1ggk h ARG 313 Cb 1.32 -0.06 -0.29 0.00 -1.65 0.00 0.00 29.97 29.29 1ggk h ARG 313 CO -0.11 0.86 -0.61 0.34 0.56 0.00 0.00 179.97 181.01 1ggk s ASP 314 N -6.71 0.59 0.30 7.04 2.15 -0.67 -5.02 116.67 114.35 1ggk s ASP 314 Ca -0.09 -1.06 0.21 0.00 0.43 0.00 0.00 52.55 52.04 1ggk s ASP 314 Cb 0.14 0.91 1.10 0.00 -0.30 0.00 0.00 42.92 44.78 1ggk s ASP 314 CO 0.82 -0.28 1.64 -0.81 -0.17 0.00 0.00 175.17 176.37 1ggk n PRO 315 N 4.67 0.14 -0.67 4.34 -0.04 -1.20 -2.50 135.00 139.74 1ggk n PRO 315 Ca 0.07 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1ggk n PRO 315 Cb 0.48 -1.93 0.22 0.00 -0.04 0.00 0.00 33.50 32.23 1ggk n PRO 315 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ggk n ASP 316 N -2.22 3.14 -0.15 3.54 8.00 -1.26 -0.28 116.55 127.31 1ggk n ASP 316 Ca -0.01 -3.44 -0.07 0.00 0.71 0.00 0.00 54.79 51.97 1ggk n ASP 316 Cb 0.06 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 40.56 1ggk n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ggk h PHE 317 N 1.32 0.58 -0.05 1.24 3.04 -1.84 0.21 116.94 121.45 1ggk h PHE 317 Ca 0.15 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.94 1ggk h PHE 317 Cb 1.63 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.93 1ggk h PHE 317 CO 0.83 0.37 -0.71 0.45 -2.02 0.00 0.00 178.31 177.23 1ggk h HIS 318 N 0.62 0.34 -0.24 0.41 3.86 -1.89 -1.43 115.15 116.83 1ggk h HIS 318 Ca 0.17 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 1ggk h HIS 318 Cb -0.06 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1ggk h HIS 318 CO -0.04 0.88 -0.10 -0.09 0.86 0.00 0.00 177.93 179.44 1ggk h ARG 319 N 0.17 0.49 0.14 2.45 2.43 -1.91 -2.32 114.38 115.83 1ggk h ARG 319 Ca -0.02 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1ggk h ARG 319 Cb 1.26 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1ggk h ARG 319 CO 0.11 0.74 -0.07 -0.09 -1.51 0.00 0.00 179.97 179.16 1ggk h ARG 320 N 0.21 -0.18 -0.80 0.20 2.43 -0.75 -2.44 114.38 113.05 1ggk h ARG 320 Ca 0.06 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1ggk h ARG 320 Cb 0.59 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1ggk h ARG 320 CO 0.03 -0.07 0.52 1.49 -1.51 0.00 0.00 179.97 180.43 1ggk h GLU 321 N -0.25 0.79 -0.10 0.20 4.22 -1.29 -0.67 114.58 117.49 1ggk h GLU 321 Ca -0.02 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.30 1ggk h GLU 321 Cb 0.20 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ggk h GLU 321 CO 0.03 0.52 -0.21 1.25 -2.18 0.00 0.00 179.01 178.43 1ggk h LEU 322 N 0.81 0.35 -0.37 1.64 5.85 -1.34 -0.56 115.31 121.69 1ggk h LEU 322 Ca 0.35 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1ggk h LEU 322 Cb 0.32 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1ggk h LEU 322 CO -0.13 0.85 0.24 -0.25 -0.34 0.00 0.00 178.44 178.81 1ggk h TRP 323 N -0.13 0.47 -0.12 1.25 2.91 -1.06 -2.15 115.95 117.12 1ggk h TRP 323 Ca 0.00 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.90 1ggk h TRP 323 Cb 0.79 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.28 1ggk h TRP 323 CO 0.11 0.32 -0.50 0.93 -1.03 0.00 0.00 178.44 178.27 1ggk h GLU 324 N 0.49 0.32 -0.37 2.65 5.08 -1.12 -1.38 114.58 120.25 1ggk h GLU 324 Ca 0.13 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1ggk h GLU 324 Cb -0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1ggk h GLU 324 CO -0.03 0.75 -0.14 0.00 -1.00 0.00 0.00 179.01 178.59 1ggk h ALA 325 N 1.22 0.52 -0.33 3.43 0.00 -0.94 -0.04 119.26 123.12 1ggk h ALA 325 Ca 0.01 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1ggk h ALA 325 Cb 0.97 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1ggk h ALA 325 CO 0.08 0.42 -0.18 0.82 0.00 0.00 0.00 179.25 180.40 1ggk h ILE 326 N 0.55 1.26 -0.20 0.00 2.04 -0.76 0.20 117.51 120.59 1ggk h ILE 326 Ca 0.09 -1.19 -0.10 0.00 1.00 0.00 0.00 64.86 64.66 1ggk h ILE 326 Cb 0.67 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1ggk h ILE 326 CO 0.05 0.39 -0.30 -0.33 0.00 0.00 0.00 178.15 177.96 1ggk h GLU 327 N 0.54 0.39 0.00 2.37 5.08 -1.00 -2.92 114.58 119.04 1ggk h GLU 327 Ca 0.09 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ggk h GLU 327 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ggk h GLU 327 CO 0.04 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1ggk h ALA 328 N 1.34 1.00 0.00 3.43 0.00 -0.75 -2.99 119.26 121.29 1ggk h ALA 328 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ggk h ALA 328 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ggk h ALA 328 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1ggk n GLY 329 N 1.05 0.75 2.67 0.00 0.00 -0.88 -4.63 105.19 104.16 1ggk n GLY 329 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1ggk n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ggk n ASP 330 N 0.00 6.43 -4.73 1.61 10.43 0.01 -4.98 116.55 125.32 1ggk n ASP 330 Ca 0.00 -3.09 -0.42 0.00 2.57 0.00 0.00 54.79 53.85 1ggk n ASP 330 Cb 0.00 -1.44 -0.03 0.00 1.84 0.00 0.00 41.12 41.49 1ggk n ASP 330 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1ggk s PHE 331 N -0.07 3.00 0.07 1.24 2.99 -1.26 -4.41 117.98 119.55 1ggk s PHE 331 Ca 0.47 0.76 -0.30 0.00 0.00 0.00 0.00 56.93 57.86 1ggk s PHE 331 Cb 0.14 -3.92 -0.09 0.00 0.00 0.00 0.00 43.02 39.14 1ggk s PHE 331 CO -0.04 -3.25 1.85 -2.14 -0.00 0.00 0.00 175.22 171.64 1ggk s PRO 332 N 0.41 4.15 -0.01 0.24 0.02 -1.24 -4.80 135.00 133.77 1ggk s PRO 332 Ca 0.66 2.54 0.03 0.00 0.02 0.00 0.00 61.00 64.25 1ggk s PRO 332 Cb -0.44 -3.83 -0.01 0.00 0.02 0.00 0.00 34.50 30.24 1ggk s PRO 332 CO 0.38 -0.87 -0.09 -1.21 -0.33 0.00 0.00 177.00 174.87 1ggk s GLU 333 N 3.45 0.75 0.00 5.54 2.02 -1.26 -0.91 118.70 128.30 1ggk s GLU 333 Ca 0.82 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 55.49 1ggk s GLU 333 Cb -0.43 -0.73 -0.01 0.00 0.10 0.00 0.00 34.13 33.07 1ggk s GLU 333 CO 0.37 0.19 0.01 0.71 0.02 0.00 0.00 175.26 176.55 1ggk s TYR 334 N -0.17 0.07 -0.17 1.61 2.02 -0.45 -1.75 117.35 118.51 1ggk s TYR 334 Ca 0.03 -0.14 -0.15 0.00 -0.37 0.00 0.00 57.07 56.44 1ggk s TYR 334 Cb -0.04 -0.06 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 1ggk s TYR 334 CO -0.00 -0.08 0.34 -1.21 -1.57 0.00 0.00 175.55 173.03 1ggk s GLU 335 N -0.50 4.23 0.03 -0.62 2.02 0.16 -0.78 118.70 123.24 1ggk s GLU 335 Ca -0.06 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 1ggk s GLU 335 Cb -0.04 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1ggk s GLU 335 CO -0.00 0.13 1.00 -1.17 0.02 0.00 0.00 175.26 175.24 1ggk s LEU 336 N 0.79 4.40 0.07 1.80 2.96 -0.28 -0.89 118.68 127.52 1ggk s LEU 336 Ca 0.18 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.86 1ggk s LEU 336 Cb -0.14 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1ggk s LEU 336 CO 0.06 -0.25 -0.10 -0.83 -1.32 0.00 0.00 176.35 173.92 1ggk s GLY 337 N 0.79 0.69 -0.04 7.98 0.00 0.58 -1.44 107.32 115.89 1ggk s GLY 337 Ca 0.52 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 44.33 1ggk s GLY 337 CO 0.29 -1.03 -0.24 -1.36 0.00 0.00 0.00 173.10 170.75 1ggk s PHE 338 N -1.83 2.27 -0.32 1.90 2.99 0.36 -1.03 117.98 122.33 1ggk s PHE 338 Ca -0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 56.93 56.25 1ggk s PHE 338 Cb -0.07 -1.48 0.00 0.00 0.00 0.00 0.00 43.02 41.47 1ggk s PHE 338 CO 0.00 -0.13 0.15 -0.65 -0.00 0.00 0.00 175.22 174.60 1ggk s GLN 339 N -0.34 3.23 -0.13 0.44 -0.21 -0.70 -0.61 119.66 121.35 1ggk s GLN 339 Ca 0.02 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.60 1ggk s GLN 339 Cb -0.12 -3.57 -0.02 0.00 1.00 0.00 0.00 33.01 30.30 1ggk s GLN 339 CO 0.01 -0.46 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.13 1ggk s LEU 340 N 1.59 3.03 -0.08 2.90 1.43 -1.26 -1.76 118.68 124.53 1ggk s LEU 340 Ca 0.04 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1ggk s LEU 340 Cb -0.17 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1ggk s LEU 340 CO 0.06 0.21 -0.04 -0.63 0.23 0.00 0.00 176.35 176.18 1ggk s ILE 341 N 0.10 0.64 0.63 -0.59 1.01 -0.81 -5.00 121.20 117.18 1ggk s ILE 341 Ca -0.03 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.35 1ggk s ILE 341 Cb -0.14 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1ggk s ILE 341 CO 0.04 0.29 1.27 -2.84 0.00 0.00 0.00 174.94 173.69 1ggk s PRO 342 N 1.55 2.72 0.27 2.79 0.02 -1.26 -1.79 135.00 139.30 1ggk s PRO 342 Ca -0.00 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 63.00 1ggk s PRO 342 Cb -0.13 -1.89 0.47 0.00 0.02 0.00 0.00 34.50 32.98 1ggk s PRO 342 CO -0.04 -1.45 1.86 1.49 -0.33 0.00 0.00 177.00 178.53 1ggk h GLU 343 N 0.69 1.05 0.00 5.54 4.81 -1.96 0.81 114.58 125.52 1ggk h GLU 343 Ca -0.51 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1ggk h GLU 343 Cb 1.32 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1ggk h GLU 343 CO 0.54 0.69 0.00 0.93 -0.73 0.00 0.00 179.01 180.44 1ggk h GLU 344 N 1.08 0.00 -0.63 1.92 3.07 -1.94 -2.57 114.58 115.50 1ggk h GLU 344 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1ggk h GLU 344 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1ggk h GLU 344 CO -0.22 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.14 1ggk n ASP 345 N -2.65 4.92 -0.33 1.42 8.00 0.28 -4.61 116.55 123.59 1ggk n ASP 345 Ca -0.00 -2.63 0.16 0.00 0.71 0.00 0.00 54.79 53.03 1ggk n ASP 345 Cb 0.18 -0.62 0.35 0.00 -0.02 0.00 0.00 41.12 41.02 1ggk n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ggk h GLU 346 N 3.78 0.47 -0.64 -1.24 4.81 -1.52 -1.92 114.58 118.32 1ggk h GLU 346 Ca 0.00 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.86 1ggk h GLU 346 Cb 1.61 -0.11 -0.20 0.00 0.63 0.00 0.00 28.75 30.69 1ggk h GLU 346 CO 0.33 0.31 0.22 1.19 -0.73 0.00 0.00 179.01 180.34 1ggk n PHE 347 N -4.96 1.97 0.96 0.92 3.01 -1.26 -4.52 117.46 113.58 1ggk n PHE 347 Ca 0.25 -1.76 0.12 0.00 1.01 0.00 0.00 57.45 57.07 1ggk n PHE 347 Cb 0.72 -0.70 0.24 0.00 -0.01 0.00 0.00 39.48 39.73 1ggk n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ggk n LYS 348 N -1.13 2.17 -3.37 -1.08 5.02 -0.72 -4.94 118.16 114.12 1ggk n LYS 348 Ca 0.45 -1.73 -0.20 0.00 -2.02 0.00 0.00 58.31 54.81 1ggk n LYS 348 Cb 1.29 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1ggk n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ggk s PHE 349 N -1.86 2.39 -1.60 2.13 0.40 -1.26 -5.00 117.98 113.18 1ggk s PHE 349 Ca 0.33 -0.55 0.31 0.00 -0.60 0.00 0.00 56.93 56.42 1ggk s PHE 349 Cb 0.21 -2.20 1.58 0.00 0.51 0.00 0.00 43.02 43.11 1ggk s PHE 349 CO 0.31 -0.41 2.07 -0.25 0.70 0.00 0.00 175.22 177.64 1ggk n ASP 350 N -1.77 0.07 -4.37 1.36 10.43 -1.26 -4.81 116.55 116.20 1ggk n ASP 350 Ca 0.06 -0.42 -0.19 0.00 2.57 0.00 0.00 54.79 56.81 1ggk n ASP 350 Cb 0.61 -0.19 -0.10 0.00 1.84 0.00 0.00 41.12 43.28 1ggk n ASP 350 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1ggk s PHE 351 N -2.41 1.78 0.11 1.24 -0.12 -1.26 -5.05 117.98 112.26 1ggk s PHE 351 Ca 0.33 -0.60 -0.27 0.00 -0.05 0.00 0.00 56.93 56.35 1ggk s PHE 351 Cb 0.21 -0.87 -0.07 0.00 -0.63 0.00 0.00 43.02 41.66 1ggk s PHE 351 CO 0.44 0.35 0.83 0.34 -0.05 0.00 0.00 175.22 177.12 1ggk s ASP 352 N -3.35 7.37 0.53 1.98 3.68 -1.26 -4.92 116.67 120.69 1ggk s ASP 352 Ca 0.24 1.63 0.35 0.00 2.13 0.00 0.00 52.55 56.90 1ggk s ASP 352 Cb 0.00 -2.52 1.59 0.00 -1.45 0.00 0.00 42.92 40.54 1ggk s ASP 352 CO 0.08 0.07 2.03 -0.07 0.13 0.00 0.00 175.17 177.41 1ggk h LEU 353 N 5.13 0.00 -0.52 -1.34 3.38 -1.97 -2.79 115.31 117.19 1ggk h LEU 353 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1ggk h LEU 353 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ggk h LEU 353 CO 0.69 0.00 -0.23 0.18 0.09 0.00 0.00 178.44 179.17 1ggk n LEU 354 N -2.93 1.04 -4.59 1.67 4.77 -1.26 -4.49 117.00 111.22 1ggk n LEU 354 Ca -0.00 -0.27 -0.43 0.00 -0.03 0.00 0.00 56.01 55.28 1ggk n LEU 354 Cb 0.22 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1ggk n LEU 354 CO 0.23 0.19 0.71 -0.62 -1.33 0.00 0.00 177.39 176.57 1ggk s ASP 355 N -2.46 6.59 0.00 -1.43 3.68 -1.06 -4.46 116.67 117.54 1ggk s ASP 355 Ca 0.25 0.39 0.15 0.00 2.13 0.00 0.00 52.55 55.47 1ggk s ASP 355 Cb 0.19 -2.44 0.87 0.00 -1.45 0.00 0.00 42.92 40.09 1ggk s ASP 355 CO 0.50 -0.88 1.43 -0.81 0.13 0.00 0.00 175.17 175.55 1ggk n PRO 356 N 6.78 0.82 -0.25 4.34 -0.04 -1.26 -2.68 135.00 142.71 1ggk n PRO 356 Ca 0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1ggk n PRO 356 Cb 0.48 -1.28 0.25 0.00 -0.04 0.00 0.00 33.50 32.92 1ggk n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ggk n THR 357 N -0.78 0.65 -5.27 0.52 -2.24 -1.26 -1.57 114.28 104.34 1ggk n THR 357 Ca 0.11 -0.82 -0.31 0.00 -2.27 0.00 0.00 64.05 60.76 1ggk n THR 357 Cb 0.05 0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 68.94 1ggk n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ggk s LYS 358 N -1.35 2.28 0.44 -0.78 -0.14 -1.09 -4.89 119.74 114.20 1ggk s LYS 358 Ca 0.42 -0.91 0.07 0.00 -1.36 0.00 0.00 55.97 54.20 1ggk s LYS 358 Cb 0.24 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 34.27 1ggk s LYS 358 CO 0.32 0.50 0.36 -0.48 -0.76 0.00 0.00 175.35 175.29 1ggk s LEU 359 N -0.47 3.25 -0.34 3.17 0.05 -1.26 -4.85 118.68 118.23 1ggk s LEU 359 Ca 0.06 -0.87 -0.04 0.00 0.05 0.00 0.00 54.13 53.33 1ggk s LEU 359 Cb -0.11 -1.83 0.06 0.00 -2.05 0.00 0.00 46.19 42.26 1ggk s LEU 359 CO 0.01 -0.71 0.08 -0.63 -0.55 0.00 0.00 176.35 174.55 1ggk s ILE 360 N -2.54 3.34 0.32 1.48 1.01 -1.26 -5.06 121.20 118.49 1ggk s ILE 360 Ca 0.45 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 1ggk s ILE 360 Cb -0.02 -2.99 -0.12 0.00 0.01 0.00 0.00 42.46 39.34 1ggk s ILE 360 CO 0.26 -0.26 1.34 -2.65 0.00 0.00 0.00 174.94 173.63 1ggk n PRO 361 N 4.69 2.16 0.17 2.79 -0.02 -1.26 -4.83 135.00 138.70 1ggk n PRO 361 Ca -0.11 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.17 1ggk n PRO 361 Cb 0.43 -2.37 0.27 0.00 -0.02 0.00 0.00 33.50 31.81 1ggk n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ggk h GLU 362 N 3.01 0.00 0.00 -0.52 5.08 -1.98 -1.92 114.58 118.26 1ggk h GLU 362 Ca -0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1ggk h GLU 362 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ggk h GLU 362 CO 0.66 0.45 -0.04 0.93 -1.00 0.00 0.00 179.01 180.01 1ggk h GLU 363 N 0.00 0.00 0.02 2.33 4.39 -1.96 -3.05 114.58 116.31 1ggk h GLU 363 Ca -0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.30 1ggk h GLU 363 Cb 0.99 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.58 1ggk h GLU 363 CO 0.06 0.04 -2.26 1.28 -1.16 0.00 0.00 179.01 176.96 1ggk n LEU 364 N -3.47 2.41 -3.79 1.33 4.77 -0.85 -4.85 117.00 112.55 1ggk n LEU 364 Ca -0.02 0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 1ggk n LEU 364 Cb 0.15 -0.92 -0.15 0.00 -2.33 0.00 0.00 43.42 40.17 1ggk n LEU 364 CO 0.26 0.70 -0.32 -0.69 -1.33 0.00 0.00 177.39 176.01 1ggk s VAL 365 N -2.50 1.22 0.77 4.08 1.01 -0.78 -5.07 120.40 119.13 1ggk s VAL 365 Ca -0.34 -1.73 -0.13 0.00 0.00 0.00 0.00 61.98 59.79 1ggk s VAL 365 Cb 0.10 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.63 1ggk s VAL 365 CO 0.59 -0.69 1.15 -2.16 0.00 0.00 0.00 175.10 173.99 1ggk s PRO 366 N 1.33 2.01 -0.27 2.72 0.04 -1.16 -4.20 135.00 135.45 1ggk s PRO 366 Ca 0.11 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 1ggk s PRO 366 Cb -0.18 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ggk s PRO 366 CO -0.19 -1.89 0.82 0.08 0.04 0.00 0.00 177.00 175.86 1ggk s VAL 367 N -2.37 4.80 -0.20 -0.36 1.01 -1.26 -4.49 120.40 117.53 1ggk s VAL 367 Ca 0.69 1.40 -0.21 0.00 0.00 0.00 0.00 61.98 63.86 1ggk s VAL 367 Cb -0.24 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1ggk s VAL 367 CO 0.49 -0.17 0.65 -1.58 0.00 0.00 0.00 175.10 174.49 1ggk s GLN 368 N 2.93 4.22 -0.18 2.72 0.74 0.22 -4.85 119.66 125.47 1ggk s GLN 368 Ca 0.34 0.65 -0.27 0.00 0.05 0.00 0.00 55.36 56.14 1ggk s GLN 368 Cb -0.15 -3.58 -0.01 0.00 1.10 0.00 0.00 33.01 30.38 1ggk s GLN 368 CO 0.10 -0.25 0.90 1.03 -0.55 0.00 0.00 175.29 176.52 1ggk s ARG 369 N 1.93 4.30 -0.09 1.67 0.52 -1.26 -0.48 118.95 125.54 1ggk s ARG 369 Ca 0.30 1.14 0.07 0.00 -0.52 0.00 0.00 55.73 56.71 1ggk s ARG 369 Cb -0.16 -3.59 -0.10 0.00 0.52 0.00 0.00 34.95 31.62 1ggk s ARG 369 CO 0.10 -0.41 0.02 0.28 0.02 0.00 0.00 175.30 175.31 1ggk n VAL 370 N 4.89 0.59 -3.91 3.52 0.31 -0.52 -4.97 118.33 118.23 1ggk n VAL 370 Ca 0.07 -0.35 -0.02 0.00 -0.01 0.00 0.00 64.34 64.03 1ggk n VAL 370 Cb 0.48 -0.78 0.02 0.00 -0.91 0.00 0.00 33.84 32.65 1ggk n VAL 370 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ggk s GLY 371 N -4.13 0.09 0.06 2.92 0.00 -1.22 -0.80 107.32 104.24 1ggk s GLY 371 Ca -0.05 -0.30 0.06 0.00 0.00 0.00 0.00 44.72 44.42 1ggk s GLY 371 CO 0.34 3.19 -0.15 1.25 0.00 0.00 0.00 173.10 177.73 1ggk s LYS 372 N -2.09 0.93 -0.05 2.90 2.20 -0.23 -1.13 119.74 122.28 1ggk s LYS 372 Ca 0.24 -0.90 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1ggk s LYS 372 Cb -0.02 -0.98 -0.01 0.00 -1.51 0.00 0.00 37.83 35.31 1ggk s LYS 372 CO 0.04 0.23 -0.19 1.41 -0.36 0.00 0.00 175.35 176.49 1ggk s MET 373 N -1.49 1.94 -0.11 4.03 -2.45 0.04 -1.35 119.30 119.90 1ggk s MET 373 Ca 0.01 -0.67 0.02 0.00 -1.25 0.00 0.00 55.69 53.79 1ggk s MET 373 Cb -0.09 -1.68 0.02 0.00 1.25 0.00 0.00 34.83 34.33 1ggk s MET 373 CO 0.02 0.28 -0.14 0.08 1.05 0.00 0.00 175.02 176.30 1ggk s VAL 374 N -0.02 1.45 -0.35 10.11 1.01 -0.73 -1.35 120.40 130.52 1ggk s VAL 374 Ca -0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1ggk s VAL 374 Cb -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1ggk s VAL 374 CO 0.02 0.43 0.43 -0.76 0.00 0.00 0.00 175.10 175.23 1ggk s LEU 375 N 1.03 4.43 -0.06 3.92 1.02 -0.09 -1.86 118.68 127.08 1ggk s LEU 375 Ca -0.06 -0.18 0.08 0.00 0.02 0.00 0.00 54.13 54.00 1ggk s LEU 375 Cb -0.15 -2.45 0.13 0.00 0.02 0.00 0.00 46.19 43.74 1ggk s LEU 375 CO -0.02 -0.42 1.07 -0.46 0.02 0.00 0.00 176.35 176.54 1ggk n ASN 376 N 5.56 1.04 -3.64 2.29 6.94 -0.64 -3.69 115.26 123.12 1ggk n ASN 376 Ca -0.07 -2.49 -0.08 0.00 -0.02 0.00 0.00 54.58 51.92 1ggk n ASN 376 Cb 0.49 -0.30 -0.07 0.00 -2.36 0.00 0.00 39.78 37.54 1ggk n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ggk s ARG 377 N -1.28 0.61 0.66 -3.83 3.52 -1.12 -5.01 118.95 112.51 1ggk s ARG 377 Ca 0.14 0.89 -0.10 0.00 -0.13 0.00 0.00 55.73 56.54 1ggk s ARG 377 Cb 0.13 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 1ggk s ARG 377 CO 0.01 -0.10 1.03 -0.80 -0.81 0.00 0.00 175.30 174.63 1ggk s ASN 378 N 0.96 5.54 0.98 -2.12 0.01 -1.26 -1.16 114.94 117.88 1ggk s ASN 378 Ca -0.04 1.02 -0.13 0.00 -0.71 0.00 0.00 52.86 53.00 1ggk s ASN 378 Cb -0.05 -1.89 0.18 0.00 0.41 0.00 0.00 41.25 39.89 1ggk s ASN 378 CO -0.11 -1.23 1.11 -2.84 -1.51 0.00 0.00 177.10 172.53 1ggk s PRO 379 N -5.24 0.61 -0.18 -0.60 0.02 -1.26 -3.87 135.00 124.49 1ggk s PRO 379 Ca 0.57 0.37 -0.11 0.00 0.02 0.00 0.00 61.00 61.84 1ggk s PRO 379 Cb -0.11 -1.77 -0.22 0.00 0.02 0.00 0.00 34.50 32.42 1ggk s PRO 379 CO 0.50 -2.57 0.20 -0.25 -0.33 0.00 0.00 177.00 174.54 1ggk n ASP 380 N -4.04 2.01 -3.90 2.53 9.92 -1.26 -1.84 116.55 119.97 1ggk n ASP 380 Ca 0.06 0.25 -0.29 0.00 -0.53 0.00 0.00 54.79 54.29 1ggk n ASP 380 Cb 0.58 -0.85 -0.16 0.00 -0.64 0.00 0.00 41.12 40.05 1ggk n ASP 380 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1ggk s ASN 381 N -6.97 3.01 0.16 -2.24 3.84 -1.26 -4.70 114.94 106.78 1ggk s ASN 381 Ca -0.27 -0.75 -0.16 0.00 0.21 0.00 0.00 52.86 51.89 1ggk s ASN 381 Cb 0.07 -0.96 0.10 0.00 -0.55 0.00 0.00 41.25 39.91 1ggk s ASN 381 CO 0.67 -0.19 1.72 0.15 -2.79 0.00 0.00 177.10 176.66 1ggk h PHE 382 N 8.09 0.07 0.29 0.43 3.57 -1.98 -1.89 116.94 125.53 1ggk h PHE 382 Ca -0.24 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.29 1ggk h PHE 382 Cb 1.11 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1ggk h PHE 382 CO 0.45 -0.02 -0.24 0.35 -2.23 0.00 0.00 178.31 176.63 1ggk h PHE 383 N 0.17 -0.62 -0.54 0.41 3.04 -1.96 0.18 116.94 117.61 1ggk h PHE 383 Ca 0.19 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 1ggk h PHE 383 Cb 0.24 0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 1ggk h PHE 383 CO -0.22 -0.35 0.18 0.00 -2.02 0.00 0.00 178.31 175.90 1ggk h ALA 384 N 0.10 1.31 0.00 2.41 0.00 -1.93 -2.04 119.26 119.11 1ggk h ALA 384 Ca -0.02 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.37 1ggk h ALA 384 Cb 0.48 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1ggk h ALA 384 CO -0.02 0.50 -2.23 0.39 0.00 0.00 0.00 179.25 177.90 1ggk n GLU 385 N -4.31 0.50 -0.05 0.00 1.02 -0.73 -4.24 120.64 112.83 1ggk n GLU 385 Ca 0.04 0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 57.35 1ggk n GLU 385 Cb 0.18 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1ggk n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1ggk h ASN 386 N -0.43 0.00 -0.86 1.62 -0.73 -0.83 -3.24 115.58 111.10 1ggk h ASN 386 Ca -0.53 -0.04 0.04 0.00 1.87 0.00 0.00 56.30 57.65 1ggk h ASN 386 Cb 1.61 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 40.15 1ggk h ASN 386 CO -0.22 0.52 0.57 -0.08 -0.37 0.00 0.00 177.43 177.85 1ggk h GLU 387 N -1.00 1.01 -0.01 6.67 4.57 -1.09 -2.48 114.58 122.26 1ggk h GLU 387 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ggk h GLU 387 Cb 0.04 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1ggk h GLU 387 CO -0.00 0.67 -0.07 1.04 -1.18 0.00 0.00 179.01 179.47 1ggk n GLN 388 N -4.46 1.07 -2.07 1.92 6.02 -0.79 -4.90 117.38 114.17 1ggk n GLN 388 Ca 0.12 -0.45 -0.38 0.00 -0.01 0.00 0.00 57.00 56.28 1ggk n GLN 388 Cb 0.14 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.91 1ggk n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ggk s ALA 389 N -2.24 2.98 -0.15 -1.58 0.00 -0.93 -4.87 121.76 114.96 1ggk s ALA 389 Ca 0.35 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1ggk s ALA 389 Cb 0.21 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1ggk s ALA 389 CO 0.42 -0.91 -0.12 0.00 0.00 0.00 0.00 175.76 175.14 1ggk s ALA 390 N -1.41 1.77 0.12 0.00 0.00 -1.26 -5.06 121.76 115.92 1ggk s ALA 390 Ca 0.65 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.76 1ggk s ALA 390 Cb -0.34 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1ggk s ALA 390 CO 0.42 -0.49 0.02 -0.06 0.00 0.00 0.00 175.76 175.65 1ggk s PHE 391 N 1.52 2.99 -0.26 0.00 0.08 -1.26 -5.02 117.98 116.02 1ggk s PHE 391 Ca 0.04 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.91 1ggk s PHE 391 Cb -0.14 -1.50 0.09 0.00 -0.57 0.00 0.00 43.02 40.90 1ggk s PHE 391 CO -0.10 0.49 0.62 -1.58 -0.10 0.00 0.00 175.22 174.56 1ggk s HIS 392 N -1.46 -1.05 0.02 0.36 5.65 -1.26 -4.97 115.29 112.58 1ggk s HIS 392 Ca 0.27 2.03 0.30 0.00 0.25 0.00 0.00 55.06 57.91 1ggk s HIS 392 Cb -0.11 0.61 1.51 0.00 -1.18 0.00 0.00 32.58 33.40 1ggk s HIS 392 CO 0.19 -0.53 1.91 -1.00 -0.65 0.00 0.00 174.74 174.66 1ggk h PRO 393 N 7.34 0.00 0.00 2.88 0.13 -1.92 -0.75 132.00 139.67 1ggk h PRO 393 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ggk h PRO 393 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ggk h PRO 393 CO 0.16 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.71 1ggk h GLY 394 N 0.80 0.00 -7.56 1.56 0.00 -1.90 -3.40 103.07 92.57 1ggk h GLY 394 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1ggk h GLY 394 CO 0.00 0.00 1.85 0.30 0.00 0.00 0.00 176.54 178.69 1ggk s HIS 395 N -3.35 2.62 0.43 5.60 3.76 -0.29 -4.95 115.29 119.11 1ggk s HIS 395 Ca 0.05 -1.17 0.07 0.00 -0.15 0.00 0.00 55.06 53.86 1ggk s HIS 395 Cb 0.09 -4.68 -0.02 0.00 1.11 0.00 0.00 32.58 29.08 1ggk s HIS 395 CO 0.51 -1.82 0.32 0.96 -0.85 0.00 0.00 174.74 173.86 1ggk s ILE 396 N 5.04 2.44 0.27 0.60 -4.36 -1.26 -1.18 121.20 122.75 1ggk s ILE 396 Ca 0.52 -1.47 0.06 0.00 -0.26 0.00 0.00 60.65 59.50 1ggk s ILE 396 Cb 0.02 -2.91 -0.06 0.00 1.25 0.00 0.00 42.46 40.76 1ggk s ILE 396 CO 0.02 0.00 -0.04 0.68 0.24 0.00 0.00 174.94 175.83 1ggk s VAL 397 N -2.54 1.50 0.07 8.37 -7.23 -1.26 -4.84 120.40 114.47 1ggk s VAL 397 Ca 0.45 -2.10 -0.35 0.00 -1.81 0.00 0.00 61.98 58.16 1ggk s VAL 397 Cb -0.01 -2.43 -0.15 0.00 0.56 0.00 0.00 36.38 34.35 1ggk s VAL 397 CO 0.26 -0.30 1.54 -2.65 -0.31 0.00 0.00 175.10 173.64 1ggk n PRO 398 N -0.55 1.72 0.00 4.82 -0.02 -1.26 -2.25 135.00 137.46 1ggk n PRO 398 Ca -0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1ggk n PRO 398 Cb 0.64 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1ggk n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ggk n GLY 399 N 3.28 1.93 3.40 -1.23 0.00 -1.26 -3.66 105.19 107.64 1ggk n GLY 399 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1ggk n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ggk s LEU 400 N 0.00 2.46 0.27 0.99 1.43 -0.95 -1.42 118.68 121.45 1ggk s LEU 400 Ca 0.00 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 52.06 1ggk s LEU 400 Cb 0.00 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1ggk s LEU 400 CO 0.00 0.06 0.55 -0.62 0.23 0.00 0.00 176.35 176.56 1ggk s ASP 401 N -2.81 -0.08 0.71 2.29 3.68 -0.37 -4.79 116.67 115.31 1ggk s ASP 401 Ca 0.21 -0.89 0.02 0.00 2.13 0.00 0.00 52.55 54.02 1ggk s ASP 401 Cb -0.07 0.64 0.13 0.00 -1.45 0.00 0.00 42.92 42.17 1ggk s ASP 401 CO 0.10 -1.22 0.97 -0.36 0.13 0.00 0.00 175.17 174.79 1ggk s PHE 402 N -3.87 1.27 0.36 -5.34 0.40 -1.26 -1.64 117.98 107.89 1ggk s PHE 402 Ca 0.20 -0.48 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1ggk s PHE 402 Cb -0.02 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.69 1ggk s PHE 402 CO 0.09 -1.70 0.14 0.95 0.70 0.00 0.00 175.22 175.41 1ggk s THR 403 N -3.06 0.52 -1.96 0.64 -4.23 -1.26 -4.46 115.64 101.83 1ggk s THR 403 Ca 0.67 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1ggk s THR 403 Cb -0.04 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.46 1ggk s THR 403 CO 0.44 0.00 1.09 0.59 -0.54 0.00 0.00 174.62 176.20 1ggk n ASN 404 N -1.13 0.79 -4.63 3.99 3.02 -1.26 -4.70 115.26 111.33 1ggk n ASN 404 Ca -0.02 -2.01 -0.64 0.00 -0.03 0.00 0.00 54.58 51.88 1ggk n ASN 404 Cb 0.65 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.61 1ggk n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ggk n ASP 405 N -0.08 1.38 0.29 6.41 -0.08 -1.26 -4.81 116.55 118.40 1ggk n ASP 405 Ca 0.05 1.04 0.16 0.00 -1.51 0.00 0.00 54.79 54.52 1ggk n ASP 405 Cb 0.13 -0.95 0.87 0.00 2.34 0.00 0.00 41.12 43.51 1ggk n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ggk h PRO 406 N 6.52 0.00 0.00 -0.67 0.13 -1.78 -1.33 132.00 134.88 1ggk h PRO 406 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1ggk h PRO 406 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1ggk h PRO 406 CO 1.00 0.06 -0.06 1.25 -0.23 0.00 0.00 178.00 180.02 1ggk h LEU 407 N 0.00 0.05 -0.22 1.56 5.85 -1.81 -3.01 115.31 117.72 1ggk h LEU 407 Ca -0.00 -0.82 0.03 0.00 0.84 0.00 0.00 57.88 57.92 1ggk h LEU 407 Cb 0.24 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1ggk h LEU 407 CO 0.01 0.86 0.06 0.25 -0.34 0.00 0.00 178.44 179.28 1ggk h LEU 408 N -0.77 0.04 -0.70 2.25 5.85 -1.80 -2.03 115.31 118.16 1ggk h LEU 408 Ca -0.01 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.88 1ggk h LEU 408 Cb 0.87 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.83 1ggk h LEU 408 CO 0.01 0.06 0.17 1.56 -0.34 0.00 0.00 178.44 179.89 1ggk h GLN 409 N 0.15 0.27 -0.13 1.25 1.08 -1.40 -2.08 115.11 114.25 1ggk h GLN 409 Ca 0.10 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.14 1ggk h GLN 409 Cb 0.08 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1ggk h GLN 409 CO -0.12 0.18 -0.51 0.78 -0.95 0.00 0.00 178.83 178.22 1ggk h GLY 410 N 0.28 0.39 0.78 3.46 0.00 -1.48 -2.92 103.07 103.57 1ggk h GLY 410 Ca 0.38 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.34 1ggk h GLY 410 CO -0.47 0.39 0.60 3.21 0.00 0.00 0.00 176.54 180.26 1ggk h ARG 411 N 0.28 1.07 -0.63 4.80 3.08 -0.69 -2.24 114.38 120.06 1ggk h ARG 411 Ca 0.01 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.11 1ggk h ARG 411 Cb 0.99 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 1ggk h ARG 411 CO 0.09 0.71 0.43 -0.07 -1.07 0.00 0.00 179.97 180.05 1ggk h LEU 412 N 1.11 0.34 -0.55 3.04 3.38 -1.27 -1.08 115.31 120.27 1ggk h LEU 412 Ca 0.39 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.24 1ggk h LEU 412 Cb 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ggk h LEU 412 CO -0.16 0.19 -0.26 0.15 0.09 0.00 0.00 178.44 178.45 1ggk h PHE 413 N 0.37 1.02 -0.08 1.13 3.57 -1.54 -3.40 116.94 118.01 1ggk h PHE 413 Ca 0.30 -0.26 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1ggk h PHE 413 Cb 0.67 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1ggk h PHE 413 CO -0.00 1.05 -0.14 1.03 -2.23 0.00 0.00 178.31 178.02 1ggk h SER 414 N 0.76 0.26 -0.32 0.41 0.87 -1.20 -3.24 113.55 111.09 1ggk h SER 414 Ca 0.09 -0.55 -0.07 0.00 -1.23 0.00 0.00 61.79 60.03 1ggk h SER 414 Cb 0.82 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1ggk h SER 414 CO 0.07 0.76 -0.04 1.88 -0.53 0.00 0.00 176.83 178.96 1ggk h TYR 415 N -0.23 0.75 -0.15 2.24 0.05 -1.78 -1.75 116.97 116.11 1ggk h TYR 415 Ca 0.01 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 1ggk h TYR 415 Cb 0.71 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 1ggk h TYR 415 CO 0.11 0.73 -0.03 1.15 -1.05 0.00 0.00 178.16 179.07 1ggk h THR 416 N 0.66 1.29 -0.08 -2.88 2.02 -1.81 -3.08 112.91 109.02 1ggk h THR 416 Ca 0.12 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.37 1ggk h THR 416 Cb 0.47 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 1ggk h THR 416 CO 0.02 0.29 -0.27 -0.78 0.37 0.00 0.00 175.52 175.15 1ggk h ASP 417 N -0.01 -0.81 0.07 4.18 3.58 -1.52 -3.03 116.42 118.88 1ggk h ASP 417 Ca 0.04 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 1ggk h ASP 417 Cb 0.46 0.35 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1ggk h ASP 417 CO 0.01 -0.32 -0.17 0.00 -2.88 0.00 0.00 179.24 175.88 1ggk h THR 418 N -0.37 1.19 0.00 2.25 1.03 -1.39 -2.62 112.91 113.00 1ggk h THR 418 Ca 0.08 -0.86 -0.00 0.00 -0.01 0.00 0.00 66.41 65.62 1ggk h THR 418 Cb 0.49 1.29 -0.00 0.00 -1.07 0.00 0.00 68.15 68.86 1ggk h THR 418 CO -0.28 0.26 -0.02 1.56 -0.01 0.00 0.00 175.52 177.03 1ggk h GLN 419 N 0.19 0.00 -0.87 0.00 4.20 -1.43 -2.10 115.11 115.10 1ggk h GLN 419 Ca 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1ggk h GLN 419 Cb 0.42 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1ggk h GLN 419 CO 0.03 0.02 0.47 0.82 -0.67 0.00 0.00 178.83 179.50 1ggk h ILE 420 N 0.00 1.25 0.12 2.54 1.08 -1.47 -1.74 117.51 119.28 1ggk h ILE 420 Ca -0.00 -0.63 -0.36 0.00 -0.39 0.00 0.00 64.86 63.47 1ggk h ILE 420 Cb 0.50 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 1ggk h ILE 420 CO 0.00 0.29 -1.99 -1.54 -0.69 0.00 0.00 178.15 174.21 1ggk n SER 421 N -4.36 2.05 -0.12 1.72 3.41 -1.03 -1.83 113.62 113.46 1ggk n SER 421 Ca 0.09 0.21 -0.09 0.00 -0.26 0.00 0.00 58.87 58.82 1ggk n SER 421 Cb 0.10 -0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 63.24 1ggk n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ggk h ARG 422 N 0.07 0.53 -0.46 4.33 2.43 -1.39 -3.00 114.38 116.88 1ggk h ARG 422 Ca -0.42 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1ggk h ARG 422 Cb 2.03 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1ggk h ARG 422 CO 0.08 0.43 0.00 1.28 -1.51 0.00 0.00 179.97 180.26 1ggk n LEU 423 N -4.75 3.39 0.00 3.80 4.77 -0.66 -4.40 117.00 119.15 1ggk n LEU 423 Ca -0.00 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1ggk n LEU 423 Cb 0.08 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1ggk n LEU 423 CO 0.36 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1ggk n GLY 424 N 1.27 0.84 0.00 -0.72 0.00 -1.11 -4.87 105.19 100.60 1ggk n GLY 424 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ggk n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ggk n GLY 425 N -2.19 -2.56 0.14 -0.02 0.00 -0.76 -4.84 105.19 94.96 1ggk n GLY 425 Ca 0.00 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.81 1ggk n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ggk n PRO 426 N -0.78 1.18 -1.11 1.61 -0.04 -1.26 -3.86 135.00 130.75 1ggk n PRO 426 Ca 0.00 -0.28 -0.18 0.00 -0.04 0.00 0.00 63.50 63.01 1ggk n PRO 426 Cb 0.00 -1.20 0.19 0.00 -0.04 0.00 0.00 33.50 32.45 1ggk n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ggk n ASN 427 N -0.41 3.50 0.28 3.54 3.02 -1.26 -4.66 115.26 119.27 1ggk n ASN 427 Ca 0.09 -3.62 0.16 0.00 -0.03 0.00 0.00 54.58 51.18 1ggk n ASN 427 Cb 0.10 -0.78 0.80 0.00 -0.61 0.00 0.00 39.78 39.29 1ggk n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1ggk h PHE 428 N 1.12 0.00 0.00 3.10 -5.15 -1.90 -0.22 116.94 113.90 1ggk h PHE 428 Ca 0.51 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.28 1ggk h PHE 428 Cb 2.53 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.70 1ggk h PHE 428 CO 1.43 0.06 0.00 -2.39 -2.00 0.00 0.00 178.31 175.41 1ggk n HIS 429 N -3.30 0.54 1.24 6.09 1.44 -1.26 -1.47 115.22 118.50 1ggk n HIS 429 Ca -0.01 0.23 0.13 0.00 -2.01 0.00 0.00 57.72 56.06 1ggk n HIS 429 Cb 0.24 -0.86 0.37 0.00 0.12 0.00 0.00 29.99 29.86 1ggk n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1ggk n GLU 430 N -2.01 0.87 -2.33 -1.40 1.02 -0.09 -3.27 120.64 113.44 1ggk n GLU 430 Ca 0.02 -0.52 -0.42 0.00 -0.02 0.00 0.00 57.16 56.21 1ggk n GLU 430 Cb 0.17 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1ggk n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ggk s ILE 431 N -2.49 3.96 0.24 -3.67 1.01 -0.54 -4.86 121.20 114.85 1ggk s ILE 431 Ca 0.25 1.31 -0.10 0.00 0.00 0.00 0.00 60.65 62.11 1ggk s ILE 431 Cb 0.19 -3.84 0.36 0.00 0.01 0.00 0.00 42.46 39.18 1ggk s ILE 431 CO 0.52 -0.01 1.42 -2.65 0.00 0.00 0.00 174.94 174.22 1ggk n PRO 432 N 5.34 -0.12 -0.10 2.79 -0.02 -1.26 -0.89 135.00 140.74 1ggk n PRO 432 Ca 0.12 1.42 0.10 0.00 -2.02 0.00 0.00 63.50 63.13 1ggk n PRO 432 Cb 0.45 -2.12 0.47 0.00 -0.02 0.00 0.00 33.50 32.27 1ggk n PRO 432 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1ggk h ILE 433 N 0.00 0.93 -0.00 4.25 6.09 -1.91 -2.41 117.51 124.45 1ggk h ILE 433 Ca 0.40 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.73 1ggk h ILE 433 Cb 0.63 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.32 1ggk h ILE 433 CO -0.93 0.09 -0.29 0.59 -3.07 0.00 0.00 178.15 174.54 1ggk n ASN 434 N -4.48 0.32 -4.76 2.19 3.02 -0.06 -4.95 115.26 106.54 1ggk n ASN 434 Ca 0.10 -0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 1ggk n ASN 434 Cb 0.33 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1ggk n ASN 434 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ggk s ARG 435 N -2.96 4.42 0.53 3.52 0.52 -0.91 -4.84 118.95 119.23 1ggk s ARG 435 Ca 0.13 2.10 -0.20 0.00 -0.52 0.00 0.00 55.73 57.24 1ggk s ARG 435 Cb 0.18 -3.12 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 1ggk s ARG 435 CO 0.62 -0.12 1.13 -2.14 0.02 0.00 0.00 175.30 174.81 1ggk s PRO 436 N -1.37 3.43 -0.01 3.54 0.02 -1.26 -4.95 135.00 134.40 1ggk s PRO 436 Ca 0.50 1.62 0.21 0.00 0.02 0.00 0.00 61.00 63.35 1ggk s PRO 436 Cb -0.38 -2.06 -0.24 0.00 0.02 0.00 0.00 34.50 31.84 1ggk s PRO 436 CO 0.47 -0.79 0.79 0.25 -0.33 0.00 0.00 177.00 177.39 1ggk n THR 437 N -1.18 0.01 -2.27 0.99 -2.24 -1.26 -4.91 114.28 103.42 1ggk n THR 437 Ca 0.11 -0.16 -0.26 0.00 -2.27 0.00 0.00 64.05 61.47 1ggk n THR 437 Cb 0.51 0.66 0.10 0.00 -2.10 0.00 0.00 70.33 69.49 1ggk n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ggk s PRO 439 N -5.31 3.98 -0.10 0.00 0.05 -1.26 -5.07 135.00 127.30 1ggk s PRO 439 Ca 0.64 1.31 -0.04 0.00 0.05 0.00 0.00 61.00 62.96 1ggk s PRO 439 Cb -0.08 -2.18 0.05 0.00 0.05 0.00 0.00 34.50 32.34 1ggk s PRO 439 CO 0.46 -0.27 0.21 1.52 0.05 0.00 0.00 177.00 178.97 1ggk s TYR 440 N -1.99 -0.28 -0.09 0.56 1.13 -1.26 -5.01 117.35 110.40 1ggk s TYR 440 Ca 0.64 0.74 -0.06 0.00 -1.41 0.00 0.00 57.07 56.99 1ggk s TYR 440 Cb -0.15 -0.11 0.04 0.00 -1.10 0.00 0.00 41.96 40.64 1ggk s TYR 440 CO 0.19 -0.28 0.22 -1.01 -2.51 0.00 0.00 175.55 172.16 1ggk s HIS 441 N 1.98 -0.27 0.00 -3.49 3.76 -1.26 -5.16 115.29 110.85 1ggk s HIS 441 Ca -0.02 0.66 0.00 0.00 -0.15 0.00 0.00 55.06 55.56 1ggk s HIS 441 Cb -0.12 0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.61 1ggk s HIS 441 CO -0.07 -0.18 0.00 0.27 -0.85 0.00 0.00 174.74 173.91 1ggk n ASN 442 N 3.76 0.00 -1.20 1.40 0.23 -1.26 -4.89 115.26 113.30 1ggk n ASN 442 Ca -0.21 -0.46 0.08 0.00 -0.53 0.00 0.00 54.58 53.46 1ggk n ASN 442 Cb 0.55 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.54 1ggk n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1ggk n PHE 443 N 0.00 1.16 -2.62 -2.53 3.01 -1.26 -4.92 117.46 110.31 1ggk n PHE 443 Ca 0.00 -0.68 -0.40 0.00 1.01 0.00 0.00 57.45 57.38 1ggk n PHE 443 Cb 0.00 -0.25 -0.05 0.00 -0.01 0.00 0.00 39.48 39.17 1ggk n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1ggk s GLN 444 N -2.06 4.74 0.10 -1.08 -0.21 -1.26 -4.76 119.66 115.13 1ggk s GLN 444 Ca 0.43 1.64 -0.00 0.00 0.02 0.00 0.00 55.36 57.44 1ggk s GLN 444 Cb 0.30 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 1ggk s GLN 444 CO 0.17 0.35 -0.00 1.03 -2.12 0.00 0.00 175.29 174.72 1ggk s ARG 445 N -1.21 0.80 3.76 2.91 1.81 -1.26 -5.08 118.95 120.68 1ggk s ARG 445 Ca 0.43 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.10 1ggk s ARG 445 Cb -0.29 0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.31 1ggk s ARG 445 CO 0.36 -0.14 0.00 -0.25 -0.68 0.00 0.00 175.30 174.59 1ggk n ASP 446 N -0.02 -0.44 0.00 0.23 8.00 -1.26 -5.06 116.55 117.99 1ggk n ASP 446 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1ggk n ASP 446 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1ggk n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggk n GLY 447 N 0.00 -0.22 3.74 0.44 0.00 -1.26 -4.71 105.19 103.18 1ggk n GLY 447 Ca 0.00 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 1ggk n GLY 447 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ggk n MET 448 N 0.15 1.95 -3.98 1.61 1.56 -1.26 -3.30 117.12 113.85 1ggk n MET 448 Ca 0.00 0.70 -0.30 0.00 -0.27 0.00 0.00 57.70 57.83 1ggk n MET 448 Cb 0.00 -2.56 -0.02 0.00 2.15 0.00 0.00 33.22 32.79 1ggk n MET 448 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1ggk n HIS 449 N -0.57 -1.60 -2.44 1.12 -0.00 -1.26 -4.54 115.22 105.93 1ggk n HIS 449 Ca 0.08 0.57 -0.43 0.00 -0.00 0.00 0.00 57.72 57.94 1ggk n HIS 449 Cb 0.43 -3.40 -0.02 0.00 -0.00 0.00 0.00 29.99 26.99 1ggk n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1ggk s ARG 450 N -6.69 4.20 -0.22 1.57 6.06 -1.21 -4.92 118.95 117.74 1ggk s ARG 450 Ca 0.16 1.59 -0.20 0.00 -2.50 0.00 0.00 55.73 54.79 1ggk s ARG 450 Cb -0.07 -3.77 -0.17 0.00 0.06 0.00 0.00 34.95 31.00 1ggk s ARG 450 CO 0.91 -0.75 0.10 -1.33 -2.50 0.00 0.00 175.30 171.73 1ggk n MET 451 N 6.68 0.56 -2.03 5.12 2.81 -1.26 -4.94 117.12 124.05 1ggk n MET 451 Ca 0.14 0.52 -0.42 0.00 -1.81 0.00 0.00 57.70 56.14 1ggk n MET 451 Cb 0.45 -1.70 -0.03 0.00 -0.71 0.00 0.00 33.22 31.23 1ggk n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ggk s GLY 452 N -4.93 2.16 -0.38 3.03 0.00 -1.26 -4.99 107.32 100.95 1ggk s GLY 452 Ca -0.30 1.29 -0.11 0.00 0.00 0.00 0.00 44.72 45.60 1ggk s GLY 452 CO 0.55 2.33 0.22 -0.42 0.00 0.00 0.00 173.10 175.78 1ggk s ILE 453 N 0.32 4.58 0.15 0.90 1.01 -1.26 -5.00 121.20 121.89 1ggk s ILE 453 Ca 0.61 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 1ggk s ILE 453 Cb -0.41 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1ggk s ILE 453 CO 0.39 -0.28 1.02 -1.81 0.00 0.00 0.00 174.94 174.27 1ggk s ASP 454 N 1.62 7.41 -0.00 3.58 1.11 -1.26 -4.94 116.67 124.20 1ggk s ASP 454 Ca 0.02 1.93 0.15 0.00 0.18 0.00 0.00 52.55 54.83 1ggk s ASP 454 Cb -0.20 -2.60 -0.17 0.00 1.07 0.00 0.00 42.92 41.03 1ggk s ASP 454 CO 0.06 -0.12 0.63 0.35 1.18 0.00 0.00 175.17 177.28 1ggk n THR 455 N 2.53 0.00 -1.67 -1.27 -2.24 -1.26 -4.96 114.28 105.40 1ggk n THR 455 Ca 0.02 -0.15 -0.50 0.00 -2.27 0.00 0.00 64.05 61.15 1ggk n THR 455 Cb 0.48 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 1ggk n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ggk n ASN 456 N -1.38 3.01 0.18 3.42 2.85 -1.26 -4.86 115.26 117.22 1ggk n ASN 456 Ca 0.03 1.03 0.04 0.00 -0.11 0.00 0.00 54.58 55.57 1ggk n ASN 456 Cb 0.24 -1.33 0.46 0.00 1.24 0.00 0.00 39.78 40.39 1ggk n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ggk h PRO 457 N 7.60 0.09 -6.08 1.20 0.11 -1.93 -3.43 132.00 129.56 1ggk h PRO 457 Ca -0.47 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.02 1ggk h PRO 457 Cb 1.28 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1ggk h PRO 457 CO 0.92 0.26 -0.32 0.00 -0.21 0.00 0.00 178.00 178.64 1ggk s ALA 458 N -4.66 3.80 -0.11 -0.75 0.00 -1.26 -5.00 121.76 113.78 1ggk s ALA 458 Ca -0.04 -0.54 0.14 0.00 0.00 0.00 0.00 51.96 51.52 1ggk s ALA 458 Cb 0.16 -2.13 0.31 0.00 0.00 0.00 0.00 23.12 21.46 1ggk s ALA 458 CO 0.71 0.65 1.15 0.27 0.00 0.00 0.00 175.76 178.54 1ggk n ASN 459 N 0.53 1.48 -3.89 0.00 2.04 -1.26 -5.02 115.26 109.13 1ggk n ASN 459 Ca -0.06 -2.97 -0.09 0.00 -0.44 0.00 0.00 54.58 51.01 1ggk n ASN 459 Cb 0.52 -0.40 -0.06 0.00 -2.53 0.00 0.00 39.78 37.31 1ggk n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1ggk s TYR 460 N -1.96 0.22 0.02 -2.53 -0.85 -1.26 -4.84 117.35 106.14 1ggk s TYR 460 Ca 0.29 -0.58 -0.14 0.00 -0.52 0.00 0.00 57.07 56.12 1ggk s TYR 460 Cb 0.28 0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.77 1ggk s TYR 460 CO -0.05 -0.82 0.31 -1.83 -1.52 0.00 0.00 175.55 171.64 1ggk s GLU 461 N -3.94 0.74 0.50 -3.49 4.04 -1.26 -4.22 118.70 111.07 1ggk s GLU 461 Ca 0.15 -0.36 -0.22 0.00 0.04 0.00 0.00 54.97 54.59 1ggk s GLU 461 Cb 0.01 0.33 -0.06 0.00 0.02 0.00 0.00 34.13 34.43 1ggk s GLU 461 CO 0.00 -0.22 1.20 -1.25 -1.84 0.00 0.00 175.26 173.15 1ggk s PRO 462 N -1.97 3.49 0.04 -4.83 0.04 -1.26 -5.19 135.00 125.31 1ggk s PRO 462 Ca -0.09 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1ggk s PRO 462 Cb -0.03 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1ggk s PRO 462 CO 0.00 -0.80 -0.10 0.54 0.04 0.00 0.00 177.00 176.69 1ggk s ASN 463 N -1.38 1.09 -0.09 6.66 2.20 -1.26 -5.04 114.94 117.11 1ggk s ASN 463 Ca 0.68 -0.51 0.16 0.00 -0.94 0.00 0.00 52.86 52.25 1ggk s ASN 463 Cb -0.30 -0.01 -0.23 0.00 -2.00 0.00 0.00 41.25 38.71 1ggk s ASN 463 CO 0.36 -0.12 0.21 -1.54 -2.94 0.00 0.00 177.10 173.06 1ggk n SER 464 N 1.62 1.08 0.28 3.54 3.41 -1.26 -1.79 113.62 120.50 1ggk n SER 464 Ca -0.21 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.59 1ggk n SER 464 Cb 0.55 1.32 0.96 0.00 -0.26 0.00 0.00 64.21 66.78 1ggk n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1ggk h ILE 465 N 0.00 0.00 0.00 -1.33 3.07 -1.99 -1.13 117.51 116.13 1ggk h ILE 465 Ca -0.22 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.09 1ggk h ILE 465 Cb 1.40 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1ggk h ILE 465 CO 0.01 0.00 -0.07 -3.20 -1.05 0.00 0.00 178.15 173.84 1ggk n ASN 466 N -2.85 1.75 -2.32 2.16 5.15 -1.26 -4.90 115.26 112.99 1ggk n ASN 466 Ca -0.02 -2.49 -0.18 0.00 -0.60 0.00 0.00 54.58 51.29 1ggk n ASN 466 Cb 0.11 -0.25 0.01 0.00 -0.53 0.00 0.00 39.78 39.12 1ggk n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ggk n ASP 467 N -0.88 -5.32 -1.46 1.20 2.03 -0.43 -2.63 116.55 109.06 1ggk n ASP 467 Ca 0.08 -0.14 -0.15 0.00 0.52 0.00 0.00 54.79 55.10 1ggk n ASP 467 Cb 0.53 -4.27 -0.03 0.00 -0.72 0.00 0.00 41.12 36.63 1ggk n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ggk n ASN 468 N -1.64 -4.71 -4.94 1.67 5.15 -0.74 -5.00 115.26 105.05 1ggk n ASN 468 Ca -0.15 0.17 -0.27 0.00 -0.60 0.00 0.00 54.58 53.73 1ggk n ASN 468 Cb 0.63 -3.70 -0.03 0.00 -0.53 0.00 0.00 39.78 36.15 1ggk n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1ggk s TRP 469 N -2.67 3.49 0.70 1.20 0.52 -1.08 -3.96 118.94 117.14 1ggk s TRP 469 Ca 0.00 0.14 -0.15 0.00 0.02 0.00 0.00 56.10 56.10 1ggk s TRP 469 Cb 0.00 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1ggk s TRP 469 CO 0.00 0.53 1.18 -1.25 0.02 0.00 0.00 176.95 177.42 1ggk s PRO 470 N -3.12 2.38 0.06 4.98 0.04 -1.26 -4.95 135.00 133.13 1ggk s PRO 470 Ca 0.35 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.09 1ggk s PRO 470 Cb -0.11 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1ggk s PRO 470 CO 0.28 -1.62 -0.09 1.03 0.04 0.00 0.00 177.00 176.64 1ggk s ARG 471 N -3.94 2.30 0.66 4.56 0.52 -1.25 -5.06 118.95 116.74 1ggk s ARG 471 Ca 0.72 -0.90 -0.18 0.00 -0.52 0.00 0.00 55.73 54.86 1ggk s ARG 471 Cb -0.26 -2.38 -0.00 0.00 0.52 0.00 0.00 34.95 32.82 1ggk s ARG 471 CO 0.43 0.55 1.26 -1.21 0.02 0.00 0.00 175.30 176.35 1ggk s GLU 472 N -1.86 2.52 -0.08 3.54 2.02 -1.26 -5.03 118.70 118.55 1ggk s GLU 472 Ca 0.19 1.97 0.01 0.00 0.02 0.00 0.00 54.97 57.17 1ggk s GLU 472 Cb -0.11 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.28 1ggk s GLU 472 CO 0.11 -1.59 -0.11 0.99 0.02 0.00 0.00 175.26 174.68 1ggk s THR 473 N -1.55 1.09 0.93 3.63 2.01 -1.26 -5.08 115.64 115.42 1ggk s THR 473 Ca 0.80 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 62.29 1ggk s THR 473 Cb -0.35 -1.04 0.16 0.00 0.01 0.00 0.00 72.50 71.28 1ggk s THR 473 CO 0.40 0.36 1.14 -2.84 -0.69 0.00 0.00 174.62 172.99 1ggk s PRO 474 N 1.02 0.88 0.57 4.92 0.02 -1.26 -1.90 135.00 139.25 1ggk s PRO 474 Ca -0.08 1.53 -0.17 0.00 0.02 0.00 0.00 61.00 62.30 1ggk s PRO 474 Cb -0.15 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1ggk s PRO 474 CO -0.01 -2.72 1.07 -1.25 -0.33 0.00 0.00 177.00 173.76 1ggk s PRO 475 N -4.63 3.36 0.09 5.54 0.04 -1.26 -1.28 135.00 136.87 1ggk s PRO 475 Ca 0.67 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1ggk s PRO 475 Cb -0.23 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1ggk s PRO 475 CO 0.58 -0.79 0.53 0.41 0.04 0.00 0.00 177.00 177.78 1ggk n GLY 476 N -0.66 0.94 0.19 0.56 0.00 -1.26 -4.81 105.19 100.15 1ggk n GLY 476 Ca 0.09 -1.04 0.03 0.00 0.00 0.00 0.00 46.02 45.11 1ggk n GLY 476 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ggk h PRO 477 N 0.00 0.00 -2.76 1.61 0.11 -1.96 -3.41 132.00 125.59 1ggk h PRO 477 Ca -0.14 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.84 1ggk h PRO 477 Cb 0.62 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.47 1ggk h PRO 477 CO 0.19 0.39 -0.29 0.15 -0.21 0.00 0.00 178.00 178.22 1ggk s LYS 478 N -3.99 0.41 -1.66 1.05 3.01 -1.26 -4.86 119.74 112.44 1ggk s LYS 478 Ca -0.02 0.63 0.00 0.00 -1.01 0.00 0.00 55.97 55.57 1ggk s LYS 478 Cb 0.13 0.10 0.00 0.00 -1.01 0.00 0.00 37.83 37.06 1ggk s LYS 478 CO 0.71 -0.10 0.00 0.54 0.51 0.00 0.00 175.35 177.01 1ggk n ARG 479 N 3.50 -1.25 -2.64 1.68 5.12 -1.26 -5.00 116.66 116.81 1ggk n ARG 479 Ca -0.18 0.99 -0.22 0.00 -1.93 0.00 0.00 57.85 56.51 1ggk n ARG 479 Cb 0.56 -5.29 0.04 0.00 -1.16 0.00 0.00 32.46 26.61 1ggk n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ggk s GLY 480 N -2.59 1.77 0.63 -0.13 0.00 -1.26 -4.95 107.32 100.79 1ggk s GLY 480 Ca 0.00 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.37 1ggk s GLY 480 CO 0.00 -0.95 1.04 -0.32 0.00 0.00 0.00 173.10 172.87 1ggk s GLY 481 N -4.40 1.75 0.09 0.20 0.00 -0.40 -4.81 107.32 99.76 1ggk s GLY 481 Ca 0.56 0.06 -0.31 0.00 0.00 0.00 0.00 44.72 45.03 1ggk s GLY 481 CO 0.39 0.35 1.25 -0.12 0.00 0.00 0.00 173.10 174.97 1ggk s PHE 482 N -2.99 3.38 -0.04 1.90 5.36 -1.26 -4.01 117.98 120.31 1ggk s PHE 482 Ca 0.57 1.21 0.01 0.00 -0.96 0.00 0.00 56.93 57.77 1ggk s PHE 482 Cb -0.13 -3.50 0.02 0.00 -0.34 0.00 0.00 43.02 39.07 1ggk s PHE 482 CO 0.50 -1.59 -0.05 -2.00 -1.46 0.00 0.00 175.22 170.62 1ggk s GLU 483 N 0.90 0.81 0.51 10.12 2.12 -1.26 -4.97 118.70 126.92 1ggk s GLU 483 Ca 0.60 -0.12 -0.21 0.00 0.36 0.00 0.00 54.97 55.59 1ggk s GLU 483 Cb -0.32 -0.80 -0.06 0.00 0.26 0.00 0.00 34.13 33.20 1ggk s GLU 483 CO 0.30 -0.05 1.15 -1.12 -0.54 0.00 0.00 175.26 175.00 1ggk s SER 484 N 0.78 5.88 0.24 -1.70 0.01 -1.26 -4.96 113.70 112.69 1ggk s SER 484 Ca -0.10 2.24 -0.31 0.00 1.31 0.00 0.00 55.95 59.09 1ggk s SER 484 Cb -0.13 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.39 1ggk s SER 484 CO 0.00 -1.11 1.67 0.00 0.41 0.00 0.00 173.24 174.21 1ggk n TYR 485 N -0.98 2.80 -2.21 2.43 9.36 -1.26 -4.89 117.16 122.41 1ggk n TYR 485 Ca 0.10 0.13 -0.43 0.00 3.32 0.00 0.00 57.90 61.02 1ggk n TYR 485 Cb 0.50 -2.64 0.00 0.00 -0.63 0.00 0.00 39.34 36.57 1ggk n TYR 485 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1ggk n GLN 486 N 3.20 3.30 -2.57 2.98 6.02 -1.26 -4.98 117.38 124.07 1ggk n GLN 486 Ca 0.13 -3.23 -0.40 0.00 -0.01 0.00 0.00 57.00 53.49 1ggk n GLN 486 Cb 0.36 -3.10 -0.05 0.00 1.02 0.00 0.00 30.24 28.46 1ggk n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ggk s GLU 487 N 1.75 4.72 0.07 -1.09 2.12 -1.26 -5.01 118.70 120.01 1ggk s GLU 487 Ca 0.44 1.69 -0.31 0.00 0.36 0.00 0.00 54.97 57.15 1ggk s GLU 487 Cb 0.09 -3.22 -0.07 0.00 0.26 0.00 0.00 34.13 31.20 1ggk s GLU 487 CO -0.02 0.32 1.32 0.50 -0.54 0.00 0.00 175.26 176.83 1ggk s ARG 488 N -1.33 4.36 -0.18 4.30 6.06 -1.26 -5.03 118.95 125.87 1ggk s ARG 488 Ca 0.43 1.94 -0.02 0.00 -2.50 0.00 0.00 55.73 55.58 1ggk s ARG 488 Cb -0.30 -3.34 -0.01 0.00 0.06 0.00 0.00 34.95 31.36 1ggk s ARG 488 CO 0.38 -0.39 -0.10 0.08 -2.50 0.00 0.00 175.30 172.77 1ggk s VAL 489 N 1.31 3.08 -0.05 7.11 1.01 -1.26 -5.11 120.40 126.49 1ggk s VAL 489 Ca 0.62 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1ggk s VAL 489 Cb -0.33 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1ggk s VAL 489 CO 0.29 0.48 0.08 -1.61 0.00 0.00 0.00 175.10 174.34 1ggk s GLU 490 N 1.04 -0.05 0.00 2.72 2.02 -1.26 -5.14 118.70 118.04 1ggk s GLU 490 Ca -0.00 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.39 1ggk s GLU 490 Cb -0.15 -0.42 0.00 0.00 0.10 0.00 0.00 34.13 33.66 1ggk s GLU 490 CO -0.01 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1ggk n GLY 491 N 5.16 0.26 3.99 -1.39 0.00 -1.26 -5.15 105.19 106.81 1ggk n GLY 491 Ca -0.07 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 1ggk n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ggk s ASN 492 N 0.00 5.87 -0.52 1.61 -0.87 -1.26 -5.04 114.94 114.73 1ggk s ASN 492 Ca 0.00 -0.24 -0.29 0.00 -1.57 0.00 0.00 52.86 50.77 1ggk s ASN 492 Cb 0.00 -1.08 0.03 0.00 -0.02 0.00 0.00 41.25 40.18 1ggk s ASN 492 CO 0.00 -0.54 1.17 -0.54 -2.57 0.00 0.00 177.10 174.62 1ggk s LYS 493 N -4.24 3.63 0.09 -0.60 1.02 -1.26 -4.98 119.74 113.39 1ggk s LYS 493 Ca 0.48 0.43 0.03 0.00 0.02 0.00 0.00 55.97 56.93 1ggk s LYS 493 Cb -0.10 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.22 1ggk s LYS 493 CO 0.32 -1.52 -0.08 0.14 -0.92 0.00 0.00 175.35 173.29 1ggk s VAL 494 N 4.71 0.75 -0.87 3.17 -7.23 -1.26 -5.09 120.40 114.59 1ggk s VAL 494 Ca 0.46 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.95 1ggk s VAL 494 Cb -0.07 -1.32 0.22 0.00 0.56 0.00 0.00 36.38 35.76 1ggk s VAL 494 CO 0.29 -0.65 0.76 -0.13 -0.31 0.00 0.00 175.10 175.07 1ggk s ARG 495 N -2.94 3.32 -0.09 4.82 0.52 -1.26 -5.04 118.95 118.28 1ggk s ARG 495 Ca 0.05 -3.02 -0.09 0.00 -0.52 0.00 0.00 55.73 52.15 1ggk s ARG 495 Cb -0.01 -4.07 0.02 0.00 0.52 0.00 0.00 34.95 31.42 1ggk s ARG 495 CO -0.02 -1.24 0.25 -2.00 0.02 0.00 0.00 175.30 172.30 1ggk s GLU 496 N -0.89 0.30 0.05 3.54 2.12 -1.26 -5.14 118.70 117.43 1ggk s GLU 496 Ca 0.25 0.31 -0.29 0.00 0.36 0.00 0.00 54.97 55.60 1ggk s GLU 496 Cb -0.11 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 1ggk s GLU 496 CO -0.09 -0.04 0.91 0.50 -0.54 0.00 0.00 175.26 176.00 1ggk s ARG 497 N 0.05 4.60 0.26 4.30 6.06 -1.26 -5.00 118.95 127.95 1ggk s ARG 497 Ca -0.01 1.33 -0.31 0.00 -2.50 0.00 0.00 55.73 54.24 1ggk s ARG 497 Cb -0.02 -3.41 -0.12 0.00 0.06 0.00 0.00 34.95 31.46 1ggk s ARG 497 CO 0.00 0.13 1.55 0.45 -2.50 0.00 0.00 175.30 174.93 1ggk n SER 498 N 3.24 3.46 0.28 -2.12 2.88 -1.26 -4.87 113.62 115.24 1ggk n SER 498 Ca 0.02 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 1ggk n SER 498 Cb 0.50 -1.53 0.79 0.00 -0.75 0.00 0.00 64.21 63.22 1ggk n SER 498 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1ggk h PRO 499 N 4.89 0.00 0.00 -1.46 0.11 -2.00 0.37 132.00 133.91 1ggk h PRO 499 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ggk h PRO 499 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ggk h PRO 499 CO 0.80 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 1ggk n SER 500 N -4.17 0.50 -0.25 -2.05 3.41 -1.26 -1.61 113.62 108.19 1ggk n SER 500 Ca -0.03 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1ggk n SER 500 Cb 0.09 -0.76 0.28 0.00 -0.26 0.00 0.00 64.21 63.55 1ggk n SER 500 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ggk n PHE 501 N -2.11 0.00 -0.56 7.33 3.01 0.12 -4.36 117.46 120.89 1ggk n PHE 501 Ca 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.44 1ggk n PHE 501 Cb 0.12 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.45 1ggk n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ggk n GLY 502 N 1.38 2.45 2.86 1.37 0.00 -0.64 -4.74 105.19 107.87 1ggk n GLY 502 Ca 0.11 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1ggk n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ggk s GLU 503 N 0.37 0.88 0.00 1.61 -6.30 -1.26 -5.05 118.70 108.94 1ggk s GLU 503 Ca 0.13 -0.06 0.00 0.00 -2.50 0.00 0.00 54.97 52.54 1ggk s GLU 503 Cb 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 34.13 33.18 1ggk s GLU 503 CO 0.00 -0.18 0.09 0.66 0.02 0.00 0.00 175.26 175.85 1ggk n TYR 504 N 4.55 0.00 0.02 5.30 4.01 -1.26 -4.90 117.16 124.87 1ggk n TYR 504 Ca -0.17 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.60 1ggk n TYR 504 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.50 1ggk n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ggk n TYR 505 N -0.76 0.00 0.10 -0.72 4.01 -1.26 -4.64 117.16 113.89 1ggk n TYR 505 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1ggk n TYR 505 Cb 0.00 -0.10 0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1ggk n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ggk h SER 506 N 0.00 0.07 -0.29 7.72 4.64 -1.91 -2.60 113.55 121.19 1ggk h SER 506 Ca 0.00 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.10 1ggk h SER 506 Cb 0.22 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1ggk h SER 506 CO 0.00 0.82 -0.45 0.45 -0.87 0.00 0.00 176.83 176.77 1ggk h HIS 507 N 0.04 1.01 -0.74 4.77 3.86 -1.90 -0.51 115.15 121.68 1ggk h HIS 507 Ca -0.02 -0.34 -0.01 0.00 -1.16 0.00 0.00 60.37 58.84 1ggk h HIS 507 Cb 1.36 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.60 1ggk h HIS 507 CO 0.01 1.15 0.42 -1.35 0.86 0.00 0.00 177.93 179.02 1ggk h PRO 508 N 0.58 1.01 -0.19 2.45 0.11 -1.84 0.74 132.00 134.86 1ggk h PRO 508 Ca 0.02 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1ggk h PRO 508 Cb 1.06 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1ggk h PRO 508 CO 0.10 0.73 0.04 -0.09 -0.21 0.00 0.00 178.00 178.57 1ggk h ARG 509 N 1.02 0.30 -0.76 1.05 2.43 -1.22 -0.37 114.38 116.83 1ggk h ARG 509 Ca 0.26 -0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 1ggk h ARG 509 Cb -0.00 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.44 1ggk h ARG 509 CO -0.05 0.45 0.42 1.25 -1.51 0.00 0.00 179.97 180.53 1ggk h LEU 510 N 0.10 0.59 -0.48 3.80 5.85 -0.10 -1.16 115.31 123.92 1ggk h LEU 510 Ca 0.06 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1ggk h LEU 510 Cb 0.29 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ggk h LEU 510 CO 0.00 0.35 0.20 0.15 -0.34 0.00 0.00 178.44 178.80 1ggk h PHE 511 N 0.72 0.72 -0.30 1.25 3.04 -0.69 -2.60 116.94 119.08 1ggk h PHE 511 Ca 0.36 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.24 1ggk h PHE 511 Cb 0.32 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1ggk h PHE 511 CO -0.08 0.60 0.12 2.35 -2.02 0.00 0.00 178.31 179.28 1ggk h TRP 512 N 0.63 0.46 0.00 0.41 2.91 -0.34 -2.90 115.95 117.12 1ggk h TRP 512 Ca 0.16 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1ggk h TRP 512 Cb 0.18 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.69 1ggk h TRP 512 CO 0.00 0.46 0.00 1.28 -1.03 0.00 0.00 178.44 179.15 1ggk n LEU 513 N -4.73 0.40 -0.37 0.65 4.77 -0.51 -2.75 117.00 114.47 1ggk n LEU 513 Ca -0.02 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 1ggk n LEU 513 Cb 0.14 -0.51 0.38 0.00 -2.33 0.00 0.00 43.42 41.10 1ggk n LEU 513 CO 0.36 -0.34 0.69 -1.20 -1.33 0.00 0.00 177.39 175.57 1ggk n SER 514 N -1.93 1.33 -4.88 -1.43 7.64 -0.98 -4.87 113.62 108.51 1ggk n SER 514 Ca 0.04 -1.17 -0.30 0.00 1.01 0.00 0.00 58.87 58.44 1ggk n SER 514 Cb 0.25 0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.53 1ggk n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ggk s GLN 515 N -2.33 3.76 0.96 1.43 -1.52 -1.11 -4.27 119.66 116.58 1ggk s GLN 515 Ca 0.28 0.35 -0.12 0.00 -1.95 0.00 0.00 55.36 53.93 1ggk s GLN 515 Cb 0.20 -2.48 0.17 0.00 -0.22 0.00 0.00 33.01 30.67 1ggk s GLN 515 CO 0.46 0.07 1.09 0.95 -0.25 0.00 0.00 175.29 177.61 1ggk s THR 516 N -2.22 2.31 0.30 -0.19 -4.23 -1.26 -4.79 115.64 105.56 1ggk s THR 516 Ca 0.49 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1ggk s THR 516 Cb -0.10 -2.58 0.17 0.00 1.34 0.00 0.00 72.50 71.33 1ggk s THR 516 CO 0.29 -0.13 1.86 -0.65 -0.54 0.00 0.00 174.62 175.44 1ggk h PRO 517 N -1.77 0.79 -0.01 3.99 0.11 -1.98 0.24 132.00 133.37 1ggk h PRO 517 Ca -0.53 -0.14 -0.16 0.00 0.11 0.00 0.00 66.00 65.28 1ggk h PRO 517 Cb 1.31 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1ggk h PRO 517 CO 0.56 0.69 -0.76 0.27 -0.21 0.00 0.00 178.00 178.55 1ggk h PHE 518 N 0.77 0.09 -0.55 0.65 -0.00 -1.98 -1.93 116.94 113.99 1ggk h PHE 518 Ca 0.17 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.97 58.05 1ggk h PHE 518 Cb 0.24 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 36.16 1ggk h PHE 518 CO 0.01 0.79 0.15 0.93 -0.00 0.00 0.00 178.31 180.20 1ggk h GLU 519 N 0.04 0.86 -0.63 6.09 5.08 -1.63 -2.26 114.58 122.13 1ggk h GLU 519 Ca -0.01 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1ggk h GLU 519 Cb 1.33 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1ggk h GLU 519 CO 0.10 0.79 0.39 1.96 -1.00 0.00 0.00 179.01 181.26 1ggk h GLN 520 N 0.76 0.74 -0.75 2.33 4.20 -0.72 -1.96 115.11 119.71 1ggk h GLN 520 Ca 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1ggk h GLN 520 Cb 0.31 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1ggk h GLN 520 CO -0.00 0.49 0.41 -0.09 -0.67 0.00 0.00 178.83 178.97 1ggk h ARG 521 N 0.77 1.04 -0.18 1.46 2.43 -0.92 -1.62 114.38 117.36 1ggk h ARG 521 Ca 0.25 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1ggk h ARG 521 Cb 0.01 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1ggk h ARG 521 CO -0.10 0.76 -0.39 0.45 -1.51 0.00 0.00 179.97 179.18 1ggk h HIS 522 N 1.05 0.47 0.08 2.20 3.86 -1.03 -0.25 115.15 121.53 1ggk h HIS 522 Ca 0.27 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1ggk h HIS 522 Cb 0.03 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1ggk h HIS 522 CO 0.01 0.74 -0.04 0.82 0.86 0.00 0.00 177.93 180.32 1ggk h ILE 523 N 0.34 1.08 -0.42 2.45 2.04 -0.78 0.54 117.51 122.75 1ggk h ILE 523 Ca 0.03 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.39 1ggk h ILE 523 Cb 0.84 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 1ggk h ILE 523 CO 0.07 0.14 0.08 0.58 0.00 0.00 0.00 178.15 179.02 1ggk h VAL 524 N -0.37 0.77 -0.58 1.67 2.07 -1.19 -1.14 116.25 117.48 1ggk h VAL 524 Ca -0.01 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1ggk h VAL 524 Cb 0.32 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1ggk h VAL 524 CO 0.02 0.04 0.27 0.44 0.02 0.00 0.00 177.57 178.36 1ggk h ASP 525 N 0.21 0.74 -0.47 0.57 3.45 -0.84 -1.66 116.42 118.43 1ggk h ASP 525 Ca 0.21 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.49 1ggk h ASP 525 Cb 0.26 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1ggk h ASP 525 CO -0.27 0.64 -0.09 1.23 -1.57 0.00 0.00 179.24 179.18 1ggk h GLY 526 N 0.92 0.96 0.95 2.75 0.00 0.28 -1.73 103.07 107.21 1ggk h GLY 526 Ca 0.20 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1ggk h GLY 526 CO -0.03 0.71 0.18 0.74 0.00 0.00 0.00 176.54 178.14 1ggk h PHE 527 N 0.73 0.66 -0.16 5.60 0.04 -1.03 -1.75 116.94 121.03 1ggk h PHE 527 Ca 0.12 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ggk h PHE 527 Cb 0.63 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1ggk h PHE 527 CO 0.05 0.57 0.07 0.77 -0.60 0.00 0.00 178.31 179.16 1ggk h SER 528 N 0.56 0.21 0.02 2.17 0.02 -1.27 -0.86 113.55 114.40 1ggk h SER 528 Ca 0.15 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1ggk h SER 528 Cb 0.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ggk h SER 528 CO -0.01 0.29 -0.01 0.15 -1.14 0.00 0.00 176.83 176.11 1ggk h PHE 529 N 0.12 -0.03 -0.56 3.45 3.04 -1.27 -0.82 116.94 120.87 1ggk h PHE 529 Ca 0.05 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.89 1ggk h PHE 529 Cb 0.14 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1ggk h PHE 529 CO -0.02 0.01 -0.09 0.93 -2.02 0.00 0.00 178.31 177.12 1ggk h GLU 530 N -0.06 1.04 0.00 1.11 5.08 -1.17 -2.75 114.58 117.84 1ggk h GLU 530 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1ggk h GLU 530 Cb 0.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1ggk h GLU 530 CO 0.00 1.07 0.00 -0.07 -1.00 0.00 0.00 179.01 179.01 1ggk h LEU 531 N 0.93 0.00 -1.01 1.33 3.38 -1.11 -2.45 115.31 116.37 1ggk h LEU 531 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ggk h LEU 531 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ggk h LEU 531 CO 0.05 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.35 1ggk h SER 532 N 0.00 0.00 0.38 -0.43 4.64 -0.83 -2.65 113.55 114.66 1ggk h SER 532 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ggk h SER 532 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1ggk h SER 532 CO 0.00 0.00 -0.40 0.29 -0.87 0.00 0.00 176.83 175.85 1ggk n LYS 533 N -3.04 0.36 -2.51 4.77 4.76 -0.93 -4.82 118.16 116.75 1ggk n LYS 533 Ca 0.02 -0.21 -0.43 0.00 -2.87 0.00 0.00 58.31 54.82 1ggk n LYS 533 Cb 0.36 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 1ggk n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ggk s VAL 534 N -2.79 4.40 0.06 -0.18 1.01 -1.00 -4.63 120.40 117.28 1ggk s VAL 534 Ca 0.17 1.68 -0.17 0.00 0.00 0.00 0.00 61.98 63.66 1ggk s VAL 534 Cb 0.18 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 1ggk s VAL 534 CO 0.62 -0.20 1.32 0.58 0.00 0.00 0.00 175.10 177.42 1ggk h VAL 535 N 5.54 1.34 -3.49 2.92 2.07 -1.87 -3.43 116.25 119.33 1ggk h VAL 535 Ca -0.24 -1.59 -0.56 0.00 0.82 0.00 0.00 66.70 65.13 1ggk h VAL 535 Cb 1.09 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 1ggk h VAL 535 CO 0.98 0.49 0.99 -0.13 0.02 0.00 0.00 177.57 179.91 1ggk s ARG 536 N -4.05 3.63 0.45 1.57 0.52 -1.26 -4.93 118.95 114.88 1ggk s ARG 536 Ca -0.13 0.63 0.12 0.00 -0.52 0.00 0.00 55.73 55.83 1ggk s ARG 536 Cb 0.07 -3.97 1.03 0.00 0.52 0.00 0.00 34.95 32.60 1ggk s ARG 536 CO 0.81 -1.50 2.07 -1.35 0.02 0.00 0.00 175.30 175.35 1ggk h PRO 537 N 9.80 0.33 0.00 3.54 0.11 -1.99 -2.13 132.00 141.67 1ggk h PRO 537 Ca -0.25 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1ggk h PRO 537 Cb 1.07 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ggk h PRO 537 CO 1.13 0.22 -0.08 0.10 -0.21 0.00 0.00 178.00 179.16 1ggk h TYR 538 N 0.34 0.00 -0.33 0.65 -0.00 -1.98 -2.10 116.97 113.55 1ggk h TYR 538 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.70 1ggk h TYR 538 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.84 1ggk h TYR 538 CO -0.00 0.08 -0.43 0.82 -0.00 0.00 0.00 178.16 178.63 1ggk h ILE 539 N 0.00 1.28 -0.58 -0.90 2.04 -1.80 -2.23 117.51 115.32 1ggk h ILE 539 Ca -0.00 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.27 1ggk h ILE 539 Cb 0.26 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1ggk h ILE 539 CO 0.01 0.53 0.36 0.03 0.00 0.00 0.00 178.15 179.08 1ggk h ARG 540 N 0.67 0.71 -0.40 2.37 3.08 -1.48 -1.53 114.38 117.80 1ggk h ARG 540 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1ggk h ARG 540 Cb 1.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1ggk h ARG 540 CO 0.10 0.47 0.20 0.93 -1.07 0.00 0.00 179.97 180.60 1ggk h GLU 541 N 0.73 0.57 -0.74 0.04 5.08 -1.39 -0.35 114.58 118.52 1ggk h GLU 541 Ca 0.22 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1ggk h GLU 541 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1ggk h GLU 541 CO -0.08 0.49 0.35 0.00 -1.00 0.00 0.00 179.01 178.77 1ggk h ARG 542 N 0.51 1.06 -0.24 2.33 3.08 -1.25 -1.13 114.38 118.74 1ggk h ARG 542 Ca 0.14 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1ggk h ARG 542 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1ggk h ARG 542 CO -0.02 0.83 0.11 0.28 -1.07 0.00 0.00 179.97 180.10 1ggk h VAL 543 N 1.03 1.15 -0.68 2.04 2.07 -0.98 -2.21 116.25 118.68 1ggk h VAL 543 Ca 0.25 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1ggk h VAL 543 Cb 0.12 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1ggk h VAL 543 CO -0.03 0.15 0.45 0.58 0.02 0.00 0.00 177.57 178.74 1ggk h VAL 544 N 0.25 1.04 -0.81 2.57 2.07 -0.80 -0.95 116.25 119.64 1ggk h VAL 544 Ca 0.08 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1ggk h VAL 544 Cb 0.13 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1ggk h VAL 544 CO -0.01 0.14 0.37 -0.78 0.02 0.00 0.00 177.57 177.31 1ggk h ASP 545 N 0.74 1.07 -0.24 0.57 1.82 -1.00 -2.29 116.42 117.08 1ggk h ASP 545 Ca 0.29 -0.14 -0.15 0.00 -0.39 0.00 0.00 57.03 56.64 1ggk h ASP 545 Cb 0.19 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 1ggk h ASP 545 CO -0.09 0.91 -0.39 1.56 -1.61 0.00 0.00 179.24 179.62 1ggk h GLN 546 N 1.16 0.79 -0.25 0.28 1.08 -0.58 -2.90 115.11 114.68 1ggk h GLN 546 Ca 0.28 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 1ggk h GLN 546 Cb 0.14 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1ggk h GLN 546 CO -0.03 1.04 0.08 -0.07 -0.95 0.00 0.00 178.83 178.89 1ggk h LEU 547 N 0.64 0.31 -2.17 1.46 3.38 -0.84 -2.60 115.31 115.49 1ggk h LEU 547 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ggk h LEU 547 Cb 0.95 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1ggk h LEU 547 CO 0.09 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.93 1ggk h ALA 548 N 1.74 1.00 0.00 1.53 0.00 -1.21 -0.83 119.26 121.49 1ggk h ALA 548 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ggk h ALA 548 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ggk h ALA 548 CO -0.01 0.00 -0.04 0.72 0.00 0.00 0.00 179.25 179.92 1ggk n HIS 549 N -3.04 0.40 -0.11 0.00 8.25 -0.98 -4.08 115.22 115.65 1ggk n HIS 549 Ca -0.01 0.12 -0.18 0.00 -0.26 0.00 0.00 57.72 57.39 1ggk n HIS 549 Cb 0.19 -0.67 -0.06 0.00 1.12 0.00 0.00 29.99 30.56 1ggk n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ggk n ILE 550 N -1.83 1.50 -3.58 1.59 5.41 -0.35 -4.22 119.36 117.88 1ggk n ILE 550 Ca 0.06 -0.07 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1ggk n ILE 550 Cb 0.38 -2.14 -0.05 0.00 -0.71 0.00 0.00 39.64 37.11 1ggk n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ggk s ASP 551 N -6.60 -0.80 0.28 4.38 -1.08 -0.98 -4.62 116.67 107.25 1ggk s ASP 551 Ca -0.31 1.17 0.08 0.00 -0.52 0.00 0.00 52.55 52.97 1ggk s ASP 551 Cb 0.08 1.68 0.38 0.00 -1.46 0.00 0.00 42.92 43.60 1ggk s ASP 551 CO 0.44 -0.17 1.63 -0.07 0.52 0.00 0.00 175.17 177.53 1ggk h LEU 552 N 7.20 0.12 -0.52 -1.34 4.07 -1.82 -1.76 115.31 121.26 1ggk h LEU 552 Ca -0.22 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.62 1ggk h LEU 552 Cb 1.15 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 1ggk h LEU 552 CO 0.13 0.65 0.14 0.74 -1.08 0.00 0.00 178.44 179.02 1ggk h THR 553 N 0.09 1.24 -0.18 0.22 2.02 -1.96 0.17 112.91 114.51 1ggk h THR 553 Ca -0.00 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1ggk h THR 553 Cb 1.01 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1ggk h THR 553 CO 0.08 0.31 0.06 0.25 0.37 0.00 0.00 175.52 176.58 1ggk h LEU 554 N 0.72 0.26 -0.31 2.58 5.85 -1.88 -1.95 115.31 120.58 1ggk h LEU 554 Ca 0.16 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1ggk h LEU 554 Cb 0.32 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1ggk h LEU 554 CO -0.00 0.38 0.09 0.00 -0.34 0.00 0.00 178.44 178.57 1ggk h ALA 555 N 0.88 0.34 -0.58 1.25 0.00 -1.21 -2.37 119.26 117.57 1ggk h ALA 555 Ca 0.06 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1ggk h ALA 555 Cb 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ggk h ALA 555 CO -0.00 -0.31 0.05 1.96 0.00 0.00 0.00 179.25 180.95 1ggk h GLN 556 N 0.22 0.96 -0.58 0.00 4.20 -0.62 -1.86 115.11 117.42 1ggk h GLN 556 Ca 0.14 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1ggk h GLN 556 Cb 0.12 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1ggk h GLN 556 CO -0.16 0.92 0.10 0.00 -0.67 0.00 0.00 178.83 179.03 1ggk h ALA 557 N 1.15 0.77 -0.04 3.87 0.00 -0.96 -1.21 119.26 122.85 1ggk h ALA 557 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ggk h ALA 557 Cb 0.45 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ggk h ALA 557 CO 0.02 0.52 -0.00 0.28 0.00 0.00 0.00 179.25 180.06 1ggk h VAL 558 N 0.86 1.26 -0.81 0.00 2.07 -1.41 -3.12 116.25 115.10 1ggk h VAL 558 Ca 0.18 -0.78 0.08 0.00 0.82 0.00 0.00 66.70 67.00 1ggk h VAL 558 Cb 0.41 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 1ggk h VAL 558 CO 0.01 0.21 0.47 0.00 0.02 0.00 0.00 177.57 178.28 1ggk h ALA 559 N 0.70 1.14 -0.42 1.67 0.00 -1.25 -1.17 119.26 119.92 1ggk h ALA 559 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ggk h ALA 559 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ggk h ALA 559 CO 0.00 0.14 0.17 -0.22 0.00 0.00 0.00 179.25 179.34 1ggk h LYS 560 N 0.82 0.60 0.00 0.00 3.64 -1.17 -1.13 116.57 119.33 1ggk h LYS 560 Ca 0.38 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1ggk h LYS 560 Cb 0.29 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1ggk h LYS 560 CO -0.22 0.50 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.50 1ggk h ASN 561 N 0.59 0.00 -0.02 4.20 2.35 -1.16 -3.04 115.58 118.51 1ggk h ASN 561 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1ggk h ASN 561 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ggk h ASN 561 CO -0.01 0.05 -0.09 0.18 -1.65 0.00 0.00 177.43 175.90 1ggk n LEU 562 N -3.15 2.46 -1.38 1.61 4.77 -0.95 -4.98 117.00 115.37 1ggk n LEU 562 Ca 0.01 -0.95 -0.10 0.00 -0.03 0.00 0.00 56.01 54.95 1ggk n LEU 562 Cb 0.36 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1ggk n LEU 562 CO 0.29 0.43 -0.02 0.61 -1.33 0.00 0.00 177.39 177.37 1ggk n GLY 563 N 1.15 0.13 3.48 -0.72 0.00 -0.84 -5.03 105.19 103.35 1ggk n GLY 563 Ca 0.11 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1ggk n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggk s ILE 564 N -2.75 3.55 -0.21 -0.61 1.01 -0.49 -5.04 121.20 116.67 1ggk s ILE 564 Ca 0.11 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 1ggk s ILE 564 Cb -0.05 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1ggk s ILE 564 CO 0.14 0.53 0.21 -0.70 0.00 0.00 0.00 174.94 175.12 1ggk s GLU 565 N -0.00 4.16 0.25 2.79 2.56 -1.26 -4.19 118.70 123.00 1ggk s GLU 565 Ca -0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 54.97 54.55 1ggk s GLU 565 Cb -0.14 -3.48 -0.09 0.00 2.00 0.00 0.00 34.13 32.42 1ggk s GLU 565 CO 0.03 0.15 0.97 -0.51 -0.56 0.00 0.00 175.26 175.34 1ggk s LEU 566 N 0.79 4.62 0.77 2.70 1.43 -1.26 -5.05 118.68 122.68 1ggk s LEU 566 Ca 0.11 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 1ggk s LEU 566 Cb -0.13 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.51 1ggk s LEU 566 CO 0.03 0.09 1.10 0.42 0.23 0.00 0.00 176.35 178.22 1ggk s THR 567 N -1.19 3.14 0.26 5.49 -4.23 -1.26 -4.89 115.64 112.96 1ggk s THR 567 Ca 0.42 0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 1ggk s THR 567 Cb -0.27 -3.22 0.26 0.00 1.34 0.00 0.00 72.50 70.62 1ggk s THR 567 CO 0.33 -0.48 1.92 0.44 -0.54 0.00 0.00 174.62 176.29 1ggk h ASP 568 N -0.94 1.10 -0.14 3.99 5.19 -1.98 -0.82 116.42 122.80 1ggk h ASP 568 Ca -0.46 -0.02 0.05 0.00 -0.62 0.00 0.00 57.03 55.98 1ggk h ASP 568 Cb 1.27 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.47 1ggk h ASP 568 CO 0.61 0.76 -0.19 0.44 -3.12 0.00 0.00 179.24 177.75 1ggk h ASP 569 N 1.28 -0.58 -0.35 6.45 3.45 -1.97 -1.77 116.42 122.93 1ggk h ASP 569 Ca 0.38 0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.90 1ggk h ASP 569 Cb -0.05 0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1ggk h ASP 569 CO -0.11 -0.24 0.09 1.56 -1.57 0.00 0.00 179.24 178.97 1ggk h GLN 570 N -0.23 0.64 0.00 3.56 4.20 -1.63 -2.31 115.11 119.35 1ggk h GLN 570 Ca 0.10 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ggk h GLN 570 Cb 0.38 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1ggk h GLN 570 CO -0.28 0.60 0.00 -0.07 -0.67 0.00 0.00 178.83 178.41 1ggk h LEU 571 N 0.62 0.00 -3.67 1.46 3.38 -0.32 -2.99 115.31 113.79 1ggk h LEU 571 Ca 0.14 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.76 1ggk h LEU 571 Cb 0.26 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.80 1ggk h LEU 571 CO -0.00 0.00 0.26 0.59 0.09 0.00 0.00 178.44 179.38 1ggk n ASN 572 N -2.60 3.21 -4.70 -0.43 3.02 -0.87 -4.98 115.26 107.92 1ggk n ASN 572 Ca 0.00 -3.72 -0.42 0.00 -0.03 0.00 0.00 54.58 50.42 1ggk n ASN 572 Cb 0.20 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.60 1ggk n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ggk s ILE 573 N -3.35 4.87 0.01 2.41 1.01 -1.13 -5.01 121.20 120.02 1ggk s ILE 573 Ca 0.51 1.86 -0.30 0.00 0.00 0.00 0.00 60.65 62.71 1ggk s ILE 573 Cb 0.44 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1ggk s ILE 573 CO 0.05 0.10 1.44 -0.89 0.00 0.00 0.00 174.94 175.63 1ggk s THR 574 N 1.55 3.60 0.77 2.92 2.01 -1.26 -4.99 115.64 120.23 1ggk s THR 574 Ca 0.45 0.99 -0.14 0.00 0.31 0.00 0.00 61.69 63.31 1ggk s THR 574 Cb -0.19 -3.64 0.06 0.00 0.01 0.00 0.00 72.50 68.74 1ggk s THR 574 CO 0.20 -0.00 1.19 -2.16 -0.69 0.00 0.00 174.62 173.15 1ggk s PRO 575 N 2.44 1.94 0.80 4.92 0.04 -1.26 -4.97 135.00 138.91 1ggk s PRO 575 Ca 0.65 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 1ggk s PRO 575 Cb -0.33 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1ggk s PRO 575 CO 0.27 -1.97 1.09 -1.25 0.04 0.00 0.00 177.00 175.18 1ggk s PRO 576 N -4.09 2.02 0.82 0.56 0.04 -1.26 -5.04 135.00 128.05 1ggk s PRO 576 Ca 0.72 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1ggk s PRO 576 Cb -0.27 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.46 1ggk s PRO 576 CO 0.48 -1.75 1.11 -1.25 0.04 0.00 0.00 177.00 175.63 1ggk s PRO 577 N -4.96 1.92 0.90 0.56 0.04 -1.26 -4.97 135.00 127.23 1ggk s PRO 577 Ca 0.61 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 1ggk s PRO 577 Cb -0.17 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.59 1ggk s PRO 577 CO 0.56 -1.70 1.10 -0.51 0.04 0.00 0.00 177.00 176.49 1ggk s ASP 578 N -4.04 3.28 -0.72 6.66 -0.00 -1.26 -4.68 116.67 115.92 1ggk s ASP 578 Ca 0.61 1.85 -0.14 0.00 -0.00 0.00 0.00 52.55 54.87 1ggk s ASP 578 Cb -0.14 -2.43 0.18 0.00 -0.00 0.00 0.00 42.92 40.53 1ggk s ASP 578 CO 0.53 -2.81 0.66 -0.69 -0.00 0.00 0.00 175.17 172.85 1ggk s VAL 579 N -2.77 5.37 -1.47 -1.27 1.01 -1.24 -4.53 120.40 115.51 1ggk s VAL 579 Ca 0.65 -2.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.40 1ggk s VAL 579 Cb -0.20 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.84 1ggk s VAL 579 CO 0.58 -0.96 0.81 0.59 0.00 0.00 0.00 175.10 176.12 1ggk n ASN 580 N 4.40 -5.72 0.00 3.32 4.13 -1.26 -1.76 115.26 118.37 1ggk n ASN 580 Ca 0.04 -0.44 0.00 0.00 1.68 0.00 0.00 54.58 55.86 1ggk n ASN 580 Cb 0.44 -4.59 0.00 0.00 -1.54 0.00 0.00 39.78 34.09 1ggk n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggk n GLY 581 N -1.65 1.45 3.74 7.41 0.00 -1.26 -5.05 105.19 109.83 1ggk n GLY 581 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1ggk n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ggk s LEU 582 N 0.00 4.52 -0.11 0.99 1.43 -0.72 -4.93 118.68 119.86 1ggk s LEU 582 Ca 0.00 1.95 0.14 0.00 -1.03 0.00 0.00 54.13 55.20 1ggk s LEU 582 Cb 0.00 -3.60 -0.24 0.00 0.03 0.00 0.00 46.19 42.38 1ggk s LEU 582 CO 0.00 -0.10 0.42 0.29 0.23 0.00 0.00 176.35 177.19 1ggk n LYS 583 N 2.39 0.66 -3.69 1.70 5.02 -1.26 -3.73 118.16 119.24 1ggk n LYS 583 Ca 0.02 0.18 -0.05 0.00 -2.02 0.00 0.00 58.31 56.44 1ggk n LYS 583 Cb 0.47 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1ggk n LYS 583 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ggk s LYS 584 N -2.55 1.13 -0.27 1.97 -2.85 -1.26 -4.74 119.74 111.16 1ggk s LYS 584 Ca -0.07 -0.58 -0.01 0.00 -1.00 0.00 0.00 55.97 54.31 1ggk s LYS 584 Cb 0.07 0.41 0.14 0.00 -2.06 0.00 0.00 37.83 36.39 1ggk s LYS 584 CO 0.82 -0.51 0.34 0.34 0.10 0.00 0.00 175.35 176.44 1ggk s ASP 585 N -2.83 1.00 0.58 0.03 3.68 -1.26 -5.03 116.67 112.84 1ggk s ASP 585 Ca 0.10 -0.40 0.28 0.00 2.13 0.00 0.00 52.55 54.67 1ggk s ASP 585 Cb -0.01 0.78 1.53 0.00 -1.45 0.00 0.00 42.92 43.77 1ggk s ASP 585 CO -0.01 -0.35 1.97 1.55 0.13 0.00 0.00 175.17 178.46 1ggk h PRO 586 N 8.22 0.00 0.00 4.34 0.13 -1.98 -2.18 132.00 140.54 1ggk h PRO 586 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1ggk h PRO 586 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ggk h PRO 586 CO 0.30 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.94 1ggk n SER 587 N -3.79 0.00 0.02 1.44 3.41 -1.26 -2.32 113.62 111.12 1ggk n SER 587 Ca 0.06 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1ggk n SER 587 Cb 0.54 -0.17 0.17 0.00 -0.26 0.00 0.00 64.21 64.49 1ggk n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ggk n LEU 588 N -1.17 0.59 -4.89 1.04 4.77 -0.82 -4.88 117.00 111.64 1ggk n LEU 588 Ca 0.08 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.78 1ggk n LEU 588 Cb 0.08 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1ggk n LEU 588 CO 0.09 0.08 0.34 -0.55 -1.33 0.00 0.00 177.39 176.02 1ggk s SER 589 N -3.44 6.47 0.09 -1.43 0.15 -0.98 -4.95 113.70 109.61 1ggk s SER 589 Ca 0.08 0.94 -0.06 0.00 0.70 0.00 0.00 55.95 57.61 1ggk s SER 589 Cb 0.16 -2.24 -0.22 0.00 -1.71 0.00 0.00 66.02 62.01 1ggk s SER 589 CO 0.73 -0.33 1.19 -0.07 1.20 0.00 0.00 173.24 175.96 1ggk h LEU 590 N 1.35 0.54 -0.38 3.45 3.38 -1.89 -3.41 115.31 118.34 1ggk h LEU 590 Ca -0.47 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 56.98 1ggk h LEU 590 Cb 1.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ggk h LEU 590 CO 0.64 1.36 -0.04 -1.22 0.09 0.00 0.00 178.44 179.27 1ggk n TYR 591 N -3.65 0.00 -0.09 1.13 4.01 -1.26 -4.77 117.16 112.53 1ggk n TYR 591 Ca -0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.59 1ggk n TYR 591 Cb 0.96 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.00 1ggk n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ggk h ALA 592 N 0.23 0.31 -2.89 -0.72 0.00 -1.85 -3.30 119.26 111.05 1ggk h ALA 592 Ca 0.00 0.09 -0.71 0.00 0.00 0.00 0.00 54.91 54.28 1ggk h ALA 592 Cb 0.04 0.14 -0.32 0.00 0.00 0.00 0.00 17.79 17.66 1ggk h ALA 592 CO 0.00 -0.39 -0.42 0.42 0.00 0.00 0.00 179.25 178.86 1ggk s ILE 593 N -6.18 3.89 0.18 0.00 1.01 -1.26 -5.07 121.20 113.77 1ggk s ILE 593 Ca -0.13 -2.07 -0.33 0.00 0.00 0.00 0.00 60.65 58.11 1ggk s ILE 593 Cb 0.12 -3.58 -0.14 0.00 0.01 0.00 0.00 42.46 38.87 1ggk s ILE 593 CO 0.70 -0.77 1.47 -2.65 0.00 0.00 0.00 174.94 173.69 1ggk n PRO 594 N 4.56 1.94 -0.32 2.79 -0.02 -1.24 -4.91 135.00 137.81 1ggk n PRO 594 Ca -0.03 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1ggk n PRO 594 Cb 0.41 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1ggk n PRO 594 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ggk n ASP 595 N 2.83 0.05 -4.73 2.55 3.85 -1.26 -5.13 116.55 114.71 1ggk n ASP 595 Ca 0.15 -1.67 -0.35 0.00 -0.71 0.00 0.00 54.79 52.21 1ggk n ASP 595 Cb 0.28 -0.13 0.07 0.00 -1.35 0.00 0.00 41.12 39.99 1ggk n ASP 595 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1ggk s GLY 596 N -0.68 2.61 -0.05 6.12 0.00 -1.26 -4.26 107.32 109.80 1ggk s GLY 596 Ca 0.00 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.76 1ggk s GLY 596 CO 0.00 1.42 -0.09 -0.35 0.00 0.00 0.00 173.10 174.08 1ggk s ASP 597 N -1.73 1.44 0.36 1.64 3.68 -1.22 -4.98 116.67 115.85 1ggk s ASP 597 Ca 0.78 -0.23 0.23 0.00 2.13 0.00 0.00 52.55 55.46 1ggk s ASP 597 Cb -0.32 -0.65 0.34 0.00 -1.45 0.00 0.00 42.92 40.84 1ggk s ASP 597 CO 0.40 0.01 1.52 -0.37 0.13 0.00 0.00 175.17 176.86 1ggk h VAL 598 N 5.98 0.00 -2.58 1.11 -1.51 -1.89 -3.46 116.25 113.90 1ggk h VAL 598 Ca -0.34 -0.91 -0.53 0.00 -1.23 0.00 0.00 66.70 63.70 1ggk h VAL 598 Cb 1.17 1.81 0.05 0.00 -2.13 0.00 0.00 31.29 32.19 1ggk h VAL 598 CO 0.48 0.00 1.04 1.17 -1.23 0.00 0.00 177.57 179.03 1ggk n LYS 599 N -2.88 2.76 -0.06 5.19 4.81 -1.25 -1.36 118.16 125.37 1ggk n LYS 599 Ca 0.03 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1ggk n LYS 599 Cb 0.52 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1ggk n LYS 599 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ggk n GLY 600 N 4.04 1.00 3.81 3.14 0.00 -0.10 -4.99 105.19 112.09 1ggk n GLY 600 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ggk n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggk s ARG 601 N -0.64 1.28 0.02 1.61 1.81 -0.47 -4.81 118.95 117.75 1ggk s ARG 601 Ca 0.00 0.23 0.03 0.00 -1.72 0.00 0.00 55.73 54.27 1ggk s ARG 601 Cb 0.00 -1.86 -0.01 0.00 -0.45 0.00 0.00 34.95 32.63 1ggk s ARG 601 CO 0.00 -2.09 -0.09 0.54 -0.68 0.00 0.00 175.30 172.98 1ggk s VAL 602 N -3.36 0.70 0.06 3.52 0.11 -1.26 -1.59 120.40 118.59 1ggk s VAL 602 Ca 0.64 -0.66 0.09 0.00 -2.93 0.00 0.00 61.98 59.12 1ggk s VAL 602 Cb -0.14 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1ggk s VAL 602 CO 0.52 0.00 -0.26 -0.69 -3.33 0.00 0.00 175.10 171.35 1ggk s VAL 603 N -0.61 2.10 -0.13 2.04 1.01 -0.50 -0.80 120.40 123.51 1ggk s VAL 603 Ca -0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.40 1ggk s VAL 603 Cb -0.06 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1ggk s VAL 603 CO 0.00 0.28 0.26 0.00 0.00 0.00 0.00 175.10 175.65 1ggk s ALA 604 N -0.87 3.68 -0.24 5.51 0.00 -0.59 -0.68 121.76 128.57 1ggk s ALA 604 Ca 0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1ggk s ALA 604 Cb -0.10 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.77 1ggk s ALA 604 CO 0.03 0.28 -0.07 0.42 0.00 0.00 0.00 175.76 176.42 1ggk s ILE 605 N -0.14 2.77 -0.46 0.00 1.01 0.56 -0.22 121.20 124.71 1ggk s ILE 605 Ca 0.17 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.51 1ggk s ILE 605 Cb -0.13 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 39.96 1ggk s ILE 605 CO 0.05 0.21 0.86 -0.76 0.00 0.00 0.00 174.94 175.29 1ggk s LEU 606 N 1.31 4.14 0.76 2.97 1.43 -0.82 -1.01 118.68 127.46 1ggk s LEU 606 Ca -0.00 -0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1ggk s LEU 606 Cb -0.17 -3.06 0.07 0.00 0.03 0.00 0.00 46.19 43.06 1ggk s LEU 606 CO -0.05 -0.99 1.10 -0.76 0.23 0.00 0.00 176.35 175.88 1ggk s LEU 607 N 3.53 2.67 0.19 1.79 1.43 0.00 -4.34 118.68 123.96 1ggk s LEU 607 Ca 0.33 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1ggk s LEU 607 Cb -0.11 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1ggk s LEU 607 CO 0.24 -1.73 0.13 0.54 0.23 0.00 0.00 176.35 175.76 1ggk s ASN 608 N -4.53 0.16 0.00 2.29 2.20 -1.26 -4.85 114.94 108.95 1ggk s ASN 608 Ca 0.61 -1.37 0.18 0.00 -0.94 0.00 0.00 52.86 51.34 1ggk s ASN 608 Cb -0.11 0.38 1.00 0.00 -2.00 0.00 0.00 41.25 40.52 1ggk s ASN 608 CO 0.47 -0.84 1.51 -0.90 -2.94 0.00 0.00 177.10 174.41 1ggk n ASP 609 N -0.26 0.00 -3.07 3.54 3.85 -1.26 -3.75 116.55 115.61 1ggk n ASP 609 Ca 0.01 -0.29 -0.16 0.00 -0.71 0.00 0.00 54.79 53.64 1ggk n ASP 609 Cb 0.66 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 1ggk n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1ggk n GLU 610 N -1.13 0.99 -1.82 0.11 4.07 -1.26 -4.49 120.64 117.10 1ggk n GLU 610 Ca 0.11 -3.02 -0.40 0.00 -0.06 0.00 0.00 57.16 53.79 1ggk n GLU 610 Cb 0.10 -1.53 0.01 0.00 -0.06 0.00 0.00 31.44 29.96 1ggk n GLU 610 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ggk s VAL 611 N -1.77 2.10 -0.40 6.31 1.01 -1.25 -2.89 120.40 123.52 1ggk s VAL 611 Ca 0.35 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.15 1ggk s VAL 611 Cb 0.34 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 1ggk s VAL 611 CO -0.07 0.02 1.59 -0.13 0.00 0.00 0.00 175.10 176.51 1ggk s ARG 612 N -2.26 3.42 0.38 2.72 0.52 -0.83 -1.71 118.95 121.18 1ggk s ARG 612 Ca 0.57 1.08 0.06 0.00 -0.52 0.00 0.00 55.73 56.92 1ggk s ARG 612 Cb -0.45 -4.12 0.77 0.00 0.52 0.00 0.00 34.95 31.67 1ggk s ARG 612 CO 0.59 -1.76 2.00 0.66 0.02 0.00 0.00 175.30 176.81 1ggk h SER 613 N 11.79 0.61 -0.72 0.23 4.64 -1.91 -2.34 113.55 125.84 1ggk h SER 613 Ca -0.30 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1ggk h SER 613 Cb 1.13 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1ggk h SER 613 CO 1.08 0.42 0.45 0.00 -0.87 0.00 0.00 176.83 177.90 1ggk h ALA 614 N 1.65 0.92 0.01 5.18 0.00 -2.00 -1.48 119.26 123.55 1ggk h ALA 614 Ca 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ggk h ALA 614 Cb 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ggk h ALA 614 CO -0.07 0.38 -0.01 -0.44 0.00 0.00 0.00 179.25 179.12 1ggk h ASP 615 N 0.99 -0.01 -0.88 0.00 3.45 -1.73 -2.91 116.42 115.32 1ggk h ASP 615 Ca 0.26 -0.21 0.02 0.00 0.43 0.00 0.00 57.03 57.53 1ggk h ASP 615 Cb -0.05 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.67 1ggk h ASP 615 CO -0.05 0.20 0.59 0.25 -1.57 0.00 0.00 179.24 178.66 1ggk h LEU 616 N -0.23 1.00 -0.56 1.55 5.85 -1.33 -1.97 115.31 119.61 1ggk h LEU 616 Ca -0.00 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1ggk h LEU 616 Cb 0.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1ggk h LEU 616 CO 0.00 0.71 -0.62 0.25 -0.34 0.00 0.00 178.44 178.44 1ggk h LEU 617 N 1.17 0.40 -0.49 2.25 6.46 -1.29 -1.81 115.31 122.01 1ggk h LEU 617 Ca 0.33 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1ggk h LEU 617 Cb -0.10 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 1ggk h LEU 617 CO -0.08 0.92 0.06 0.00 -0.62 0.00 0.00 178.44 178.73 1ggk h ALA 618 N 1.08 0.65 0.73 1.25 0.00 -1.21 -2.41 119.26 119.36 1ggk h ALA 618 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1ggk h ALA 618 Cb 1.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ggk h ALA 618 CO 0.10 0.40 -0.39 0.82 0.00 0.00 0.00 179.25 180.19 1ggk h ILE 619 N 0.69 0.21 -0.55 0.00 2.04 -1.30 -2.99 117.51 115.63 1ggk h ILE 619 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1ggk h ILE 619 Cb 0.42 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1ggk h ILE 619 CO 0.01 0.00 0.29 -0.07 0.00 0.00 0.00 178.15 178.38 1ggk h LEU 620 N -1.03 0.67 0.18 1.44 3.38 -1.31 -2.09 115.31 116.55 1ggk h LEU 620 Ca -0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ggk h LEU 620 Cb 0.80 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ggk h LEU 620 CO 0.14 0.55 -0.09 0.50 0.09 0.00 0.00 178.44 179.63 1ggk h LYS 621 N 0.76 -0.24 -0.91 1.13 3.11 -1.45 -1.20 116.57 117.78 1ggk h LYS 621 Ca 0.19 0.02 0.03 0.00 -2.81 0.00 0.00 60.65 58.08 1ggk h LYS 621 Cb 0.04 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.27 1ggk h LYS 621 CO -0.03 -0.06 0.59 0.00 -2.81 0.00 0.00 179.45 177.14 1ggk h ALA 622 N 0.43 1.20 -0.27 5.00 0.00 -1.34 -1.32 119.26 122.97 1ggk h ALA 622 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ggk h ALA 622 Cb 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ggk h ALA 622 CO 0.04 0.45 0.14 -0.07 0.00 0.00 0.00 179.25 179.82 1ggk h LEU 623 N 1.15 0.34 -1.34 0.00 3.38 -1.24 -2.68 115.31 114.92 1ggk h LEU 623 Ca 0.36 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1ggk h LEU 623 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1ggk h LEU 623 CO -0.12 0.34 0.29 0.50 0.09 0.00 0.00 178.44 179.55 1ggk h LYS 624 N 0.32 0.74 -0.26 1.13 3.64 -0.87 -1.14 116.57 120.13 1ggk h LYS 624 Ca 0.09 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1ggk h LYS 624 Cb 0.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1ggk h LYS 624 CO -0.01 0.55 -0.00 0.00 -2.27 0.00 0.00 179.45 177.71 1ggk h ALA 625 N 1.58 1.52 -0.35 5.00 0.00 -0.91 -3.00 119.26 123.09 1ggk h ALA 625 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ggk h ALA 625 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ggk h ALA 625 CO -0.03 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.20 1ggk n LYS 626 N -4.33 2.45 -1.95 0.00 4.76 -0.54 -4.96 118.16 113.60 1ggk n LYS 626 Ca 0.01 -2.23 -0.05 0.00 -2.87 0.00 0.00 58.31 53.17 1ggk n LYS 626 Cb 0.21 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.90 1ggk n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ggk n GLY 627 N 1.44 0.26 3.72 0.72 0.00 -0.90 -3.85 105.19 106.57 1ggk n GLY 627 Ca 0.18 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1ggk n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggk s VAL 628 N -2.23 5.29 0.49 1.61 1.01 -0.57 -0.92 120.40 125.07 1ggk s VAL 628 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 1ggk s VAL 628 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1ggk s VAL 628 CO 0.00 0.37 0.78 -1.00 0.00 0.00 0.00 175.10 175.25 1ggk s HIS 629 N 0.57 3.48 0.05 5.22 3.76 -0.62 -4.20 115.29 123.54 1ggk s HIS 629 Ca 0.18 0.70 0.04 0.00 -0.15 0.00 0.00 55.06 55.83 1ggk s HIS 629 Cb -0.13 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 1ggk s HIS 629 CO 0.05 -0.34 -0.12 0.00 -0.85 0.00 0.00 174.74 173.47 1ggk s ALA 630 N -2.73 0.99 -0.13 -1.40 0.00 -1.26 -1.41 121.76 115.81 1ggk s ALA 630 Ca 0.48 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 1ggk s ALA 630 Cb -0.10 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1ggk s ALA 630 CO 0.44 0.15 -0.10 -1.59 0.00 0.00 0.00 175.76 174.65 1ggk s LYS 631 N -1.33 1.86 -0.27 0.00 -2.85 0.14 -4.92 119.74 112.37 1ggk s LYS 631 Ca -0.02 -0.42 -0.21 0.00 -1.00 0.00 0.00 55.97 54.32 1ggk s LYS 631 Cb -0.08 -1.86 -0.01 0.00 -2.06 0.00 0.00 37.83 33.81 1ggk s LYS 631 CO 0.01 -0.27 0.68 -0.51 0.10 0.00 0.00 175.35 175.36 1ggk s LEU 632 N 1.60 4.08 0.17 2.77 1.43 -1.26 -0.33 118.68 127.15 1ggk s LEU 632 Ca 0.04 0.70 0.09 0.00 -1.03 0.00 0.00 54.13 53.94 1ggk s LEU 632 Cb -0.13 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 1ggk s LEU 632 CO -0.09 -0.45 -0.14 -0.76 0.23 0.00 0.00 176.35 175.14 1ggk s LEU 633 N 2.64 2.83 0.37 1.79 1.43 -0.18 -1.41 118.68 126.16 1ggk s LEU 633 Ca 0.28 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1ggk s LEU 633 Cb -0.15 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1ggk s LEU 633 CO 0.09 0.12 0.61 -0.47 0.23 0.00 0.00 176.35 176.93 1ggk s TYR 634 N -1.59 0.74 -0.95 0.29 5.04 -1.10 -0.82 117.35 118.96 1ggk s TYR 634 Ca 0.23 -1.14 0.24 0.00 -2.44 0.00 0.00 57.07 53.96 1ggk s TYR 634 Cb -0.09 0.28 0.98 0.00 0.35 0.00 0.00 41.96 43.48 1ggk s TYR 634 CO 0.13 -1.33 1.75 -1.13 -1.34 0.00 0.00 175.55 173.63 1ggk n SER 635 N -1.50 0.11 -3.92 4.32 3.41 -1.26 -2.96 113.62 111.82 1ggk n SER 635 Ca -0.03 0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 1ggk n SER 635 Cb 0.61 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1ggk n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggk s ARG 636 N -3.03 1.49 0.51 4.33 1.70 -1.26 -4.92 118.95 117.76 1ggk s ARG 636 Ca 0.11 -1.13 -0.02 0.00 -0.47 0.00 0.00 55.73 54.22 1ggk s ARG 636 Cb 0.15 0.48 0.10 0.00 -0.57 0.00 0.00 34.95 35.11 1ggk s ARG 636 CO 0.44 -0.62 0.69 -1.33 -1.08 0.00 0.00 175.30 173.40 1ggk n MET 637 N -0.36 -0.04 0.00 3.89 2.81 -1.26 -4.80 117.12 117.37 1ggk n MET 637 Ca -0.04 -1.71 0.00 0.00 -1.81 0.00 0.00 57.70 54.14 1ggk n MET 637 Cb 0.62 -0.52 0.00 0.00 -0.71 0.00 0.00 33.22 32.61 1ggk n MET 637 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ggk n GLY 638 N -0.14 0.95 3.25 3.03 0.00 -1.26 -4.98 105.19 106.04 1ggk n GLY 638 Ca 0.11 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1ggk n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ggk s GLU 639 N 0.00 0.96 0.09 1.61 2.02 -1.26 -1.67 118.70 120.45 1ggk s GLU 639 Ca 0.00 -1.03 0.05 0.00 0.02 0.00 0.00 54.97 54.01 1ggk s GLU 639 Cb 0.00 0.36 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 1ggk s GLU 639 CO 0.00 -0.32 -0.13 0.14 0.02 0.00 0.00 175.26 174.97 1ggk s VAL 640 N -3.90 1.13 -0.23 2.63 -7.23 -0.52 -4.99 120.40 107.30 1ggk s VAL 640 Ca 0.09 -1.52 -0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1ggk s VAL 640 Cb 0.04 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 1ggk s VAL 640 CO -0.07 -0.37 0.06 -0.89 -0.31 0.00 0.00 175.10 173.51 1ggk s THR 641 N -1.84 4.29 1.06 5.32 2.01 -1.26 0.21 115.64 125.43 1ggk s THR 641 Ca 0.03 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 1ggk s THR 641 Cb -0.07 -2.99 0.22 0.00 0.01 0.00 0.00 72.50 69.68 1ggk s THR 641 CO 0.02 0.37 1.12 0.00 -0.69 0.00 0.00 174.62 175.43 1ggk s ALA 642 N 1.37 0.98 0.56 7.40 0.00 -1.26 -4.24 121.76 126.57 1ggk s ALA 642 Ca 0.05 -0.63 0.24 0.00 0.00 0.00 0.00 51.96 51.62 1ggk s ALA 642 Cb -0.15 -3.01 1.54 0.00 0.00 0.00 0.00 23.12 21.51 1ggk s ALA 642 CO 0.03 -3.02 2.15 0.38 0.00 0.00 0.00 175.76 175.30 1ggk h ASP 643 N -2.08 0.00 -0.03 0.00 3.04 -1.57 -1.95 116.42 113.84 1ggk h ASP 643 Ca -0.51 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 1ggk h ASP 643 Cb 1.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 1ggk h ASP 643 CO 0.50 0.00 -0.03 -0.90 -2.04 0.00 0.00 179.24 176.77 1ggk n ASP 644 N -4.13 2.74 0.00 4.15 3.85 -1.26 -5.01 116.55 116.89 1ggk n ASP 644 Ca -0.00 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 1ggk n ASP 644 Cb 0.21 0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 1ggk n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ggk n GLY 645 N 1.22 0.84 3.23 6.12 0.00 -0.73 -5.03 105.19 110.83 1ggk n GLY 645 Ca 0.12 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ggk n GLY 645 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ggk n THR 646 N -2.30 3.19 -1.13 2.61 -1.04 -1.26 -4.77 114.28 109.58 1ggk n THR 646 Ca 0.00 -3.08 -0.48 0.00 -2.04 0.00 0.00 64.05 58.44 1ggk n THR 646 Cb 0.00 -2.41 -0.08 0.00 -1.82 0.00 0.00 70.33 66.02 1ggk n THR 646 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ggk n VAL 647 N 6.11 0.00 -3.66 12.58 0.31 -1.26 -4.28 118.33 128.12 1ggk n VAL 647 Ca 0.50 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.44 1ggk n VAL 647 Cb 0.43 -0.38 -0.12 0.00 -0.91 0.00 0.00 33.84 32.86 1ggk n VAL 647 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ggk s LEU 648 N 3.46 4.00 -0.05 7.52 1.43 0.13 -4.98 118.68 130.19 1ggk s LEU 648 Ca 0.85 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.26 1ggk s LEU 648 Cb -1.14 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 1ggk s LEU 648 CO 0.56 -0.15 1.10 -2.16 0.23 0.00 0.00 176.35 175.92 1ggk s PRO 649 N 1.64 4.42 0.03 1.29 0.04 -1.26 -1.43 135.00 139.72 1ggk s PRO 649 Ca 0.05 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 1ggk s PRO 649 Cb -0.17 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1ggk s PRO 649 CO 0.07 -0.32 1.01 0.42 0.04 0.00 0.00 177.00 178.21 1ggk s ILE 650 N 1.83 4.69 0.02 0.56 1.01 -0.67 -4.85 121.20 123.79 1ggk s ILE 650 Ca 0.53 1.98 0.08 0.00 0.00 0.00 0.00 60.65 63.24 1ggk s ILE 650 Cb -0.22 -4.27 -0.23 0.00 0.01 0.00 0.00 42.46 37.75 1ggk s ILE 650 CO 0.22 0.18 0.90 0.00 0.00 0.00 0.00 174.94 176.24 1ggk h ALA 651 N 6.58 0.56 -1.67 9.38 0.00 -1.58 -3.41 119.26 129.12 1ggk h ALA 651 Ca -0.41 -1.23 0.25 0.00 0.00 0.00 0.00 54.91 53.52 1ggk h ALA 651 Cb 1.22 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 19.09 1ggk h ALA 651 CO 0.75 1.41 0.74 0.00 0.00 0.00 0.00 179.25 182.15 1ggk s ALA 652 N -2.64 -2.04 0.76 0.00 0.00 -1.24 -5.04 121.76 111.55 1ggk s ALA 652 Ca -0.03 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 1ggk s ALA 652 Cb 0.09 0.18 0.12 0.00 0.00 0.00 0.00 23.12 23.51 1ggk s ALA 652 CO 0.83 -0.79 1.06 0.95 0.00 0.00 0.00 175.76 177.80 1ggk s THR 653 N -2.61 2.18 0.10 0.00 -4.23 -1.26 -2.70 115.64 107.13 1ggk s THR 653 Ca 0.10 -0.39 -0.21 0.00 -1.18 0.00 0.00 61.69 60.02 1ggk s THR 653 Cb 0.01 -2.79 -0.10 0.00 1.34 0.00 0.00 72.50 70.95 1ggk s THR 653 CO -0.04 0.00 1.70 -0.26 -0.54 0.00 0.00 174.62 175.48 1ggk h PHE 654 N -0.75 0.19 -0.06 3.99 0.05 -1.84 -1.24 116.94 117.27 1ggk h PHE 654 Ca -0.41 -0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.26 1ggk h PHE 654 Cb 1.27 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 39.15 1ggk h PHE 654 CO -0.24 0.18 -0.51 0.00 -0.18 0.00 0.00 178.31 177.56 1ggk h ALA 655 N 0.99 1.04 -0.15 2.45 0.00 -1.90 -3.20 119.26 118.48 1ggk h ALA 655 Ca 0.05 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1ggk h ALA 655 Cb 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ggk h ALA 655 CO -0.01 0.65 -0.76 0.78 0.00 0.00 0.00 179.25 179.92 1ggk h GLY 656 N 1.42 0.83 -6.79 0.00 0.00 -1.86 -3.37 103.07 93.31 1ggk h GLY 656 Ca 0.00 -1.16 -0.61 0.00 0.00 0.00 0.00 47.33 45.56 1ggk h GLY 656 CO 0.07 1.03 -0.70 0.00 0.00 0.00 0.00 176.54 176.94 1ggk n ALA 657 N -2.59 3.28 -0.83 3.60 0.00 -0.50 -4.90 120.51 118.57 1ggk n ALA 657 Ca -0.07 -4.11 -0.30 0.00 0.00 0.00 0.00 53.44 48.96 1ggk n ALA 657 Cb 0.74 -0.94 0.17 0.00 0.00 0.00 0.00 19.45 19.42 1ggk n ALA 657 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ggk s PRO 658 N -1.10 0.73 0.61 0.00 0.04 -1.21 -4.81 135.00 129.26 1ggk s PRO 658 Ca 0.29 1.18 0.32 0.00 0.04 0.00 0.00 61.00 62.83 1ggk s PRO 658 Cb 0.00 -1.72 1.88 0.00 0.04 0.00 0.00 34.50 34.70 1ggk s PRO 658 CO -0.17 -2.71 2.20 0.66 0.04 0.00 0.00 177.00 177.02 1ggk h SER 659 N -1.91 0.00 -0.87 6.66 4.64 -1.86 -2.10 113.55 118.11 1ggk h SER 659 Ca -0.49 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.05 1ggk h SER 659 Cb 1.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 1ggk h SER 659 CO 0.47 0.00 0.59 -0.07 -0.87 0.00 0.00 176.83 176.96 1ggk h LEU 660 N 0.00 0.25 -1.58 5.97 3.38 -1.96 -2.28 115.31 119.09 1ggk h LEU 660 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ggk h LEU 660 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ggk h LEU 660 CO -0.00 0.10 0.00 0.35 0.09 0.00 0.00 178.44 178.98 1ggk n THR 661 N -4.43 0.37 -4.42 0.22 -2.24 -0.79 -4.93 114.28 98.06 1ggk n THR 661 Ca 0.18 -0.52 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 1ggk n THR 661 Cb 0.77 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 1ggk n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ggk s VAL 662 N -1.63 1.44 -0.18 2.28 -7.23 -0.86 -4.95 120.40 109.26 1ggk s VAL 662 Ca 0.34 -2.07 0.22 0.00 -1.81 0.00 0.00 61.98 58.66 1ggk s VAL 662 Cb 0.19 -2.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.51 1ggk s VAL 662 CO 0.27 -0.23 0.89 0.47 -0.31 0.00 0.00 175.10 176.19 1ggk n ASP 663 N -0.59 0.65 -3.57 4.85 9.92 0.02 -4.99 116.55 122.84 1ggk n ASP 663 Ca -0.05 0.25 -0.07 0.00 -0.53 0.00 0.00 54.79 54.39 1ggk n ASP 663 Cb 0.64 0.78 -0.02 0.00 -0.64 0.00 0.00 41.12 41.89 1ggk n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ggk s ALA 664 N -3.36 -1.73 -0.07 2.24 0.00 -1.25 -4.31 121.76 113.28 1ggk s ALA 664 Ca -0.02 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1ggk s ALA 664 Cb 0.10 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.77 1ggk s ALA 664 CO 0.82 -0.80 -0.17 0.08 0.00 0.00 0.00 175.76 175.68 1ggk s VAL 665 N -3.26 1.52 -0.05 0.00 1.01 -0.90 -1.54 120.40 117.17 1ggk s VAL 665 Ca 0.07 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1ggk s VAL 665 Cb -0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1ggk s VAL 665 CO -0.06 0.44 -0.22 -0.63 0.00 0.00 0.00 175.10 174.62 1ggk s ILE 666 N 0.46 2.30 -0.24 2.22 1.01 0.69 -1.11 121.20 126.53 1ggk s ILE 666 Ca -0.15 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.53 1ggk s ILE 666 Cb -0.16 -1.85 0.06 0.00 0.01 0.00 0.00 42.46 40.52 1ggk s ILE 666 CO 0.05 0.57 -0.06 -0.69 0.00 0.00 0.00 174.94 174.81 1ggk s VAL 667 N -0.31 1.61 0.72 2.92 1.01 -0.30 -1.94 120.40 124.11 1ggk s VAL 667 Ca 0.01 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.62 1ggk s VAL 667 Cb -0.13 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1ggk s VAL 667 CO 0.02 -0.08 1.08 -2.16 0.00 0.00 0.00 175.10 173.96 1ggk s PRO 668 N 1.36 2.78 0.85 2.72 0.04 -1.26 -2.19 135.00 139.29 1ggk s PRO 668 Ca -0.06 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 1ggk s PRO 668 Cb -0.19 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.46 1ggk s PRO 668 CO -0.06 -1.13 1.16 0.00 0.04 0.00 0.00 177.00 177.00 1ggk n GLY 670 N -2.82 -0.17 3.24 0.00 0.00 -1.26 -1.96 105.19 102.21 1ggk n GLY 670 Ca 0.07 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1ggk n GLY 670 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ggk n ASN 671 N 0.00 4.30 0.29 1.61 5.15 -1.14 -4.78 115.26 120.69 1ggk n ASN 671 Ca 0.00 -2.86 0.15 0.00 -0.60 0.00 0.00 54.58 51.26 1ggk n ASN 671 Cb 0.00 -1.68 0.87 0.00 -0.53 0.00 0.00 39.78 38.44 1ggk n ASN 671 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1ggk h ILE 672 N 4.97 0.54 0.00 -1.44 1.08 -1.93 -1.19 117.51 119.55 1ggk h ILE 672 Ca 0.48 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.81 1ggk h ILE 672 Cb 0.78 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1ggk h ILE 672 CO 1.63 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 179.12 1ggk h ALA 673 N 1.97 1.00 -0.45 1.87 0.00 -1.99 0.15 119.26 121.82 1ggk h ALA 673 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ggk h ALA 673 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ggk h ALA 673 CO 0.00 0.00 0.23 0.22 0.00 0.00 0.00 179.25 179.70 1ggk h ASP 674 N 0.00 0.58 -0.03 0.00 -0.00 -1.62 -3.34 116.42 112.01 1ggk h ASP 674 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.03 56.92 1ggk h ASP 674 Cb 0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 39.20 1ggk h ASP 674 CO 0.00 0.53 0.00 2.30 -0.00 0.00 0.00 179.24 182.07 1ggk n ILE 675 N -4.67 0.11 -0.19 2.25 -5.35 -0.41 -4.69 119.36 106.41 1ggk n ILE 675 Ca 0.01 -0.56 0.04 0.00 -0.27 0.00 0.00 62.75 61.98 1ggk n ILE 675 Cb 0.10 1.07 0.31 0.00 -1.74 0.00 0.00 39.64 39.39 1ggk n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ggk h ALA 676 N 1.37 1.61 -0.45 -1.28 0.00 -0.88 -2.53 119.26 117.10 1ggk h ALA 676 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ggk h ALA 676 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ggk h ALA 676 CO 0.00 0.31 0.00 -0.25 0.00 0.00 0.00 179.25 179.31 1ggk n ASP 677 N -4.46 4.09 -4.59 0.00 8.00 -1.26 -4.89 116.55 113.44 1ggk n ASP 677 Ca 0.10 -2.54 -0.43 0.00 0.71 0.00 0.00 54.79 52.63 1ggk n ASP 677 Cb 0.15 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 1ggk n ASP 677 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ggk s ASN 678 N -1.24 6.59 0.24 -2.24 3.84 -0.95 -4.93 114.94 116.24 1ggk s ASN 678 Ca 0.42 0.36 -0.11 0.00 0.21 0.00 0.00 52.86 53.74 1ggk s ASN 678 Cb 0.29 -2.53 0.34 0.00 -0.55 0.00 0.00 41.25 38.79 1ggk s ASN 678 CO 0.17 -1.25 1.60 1.23 -2.79 0.00 0.00 177.10 176.07 1ggk h GLY 679 N 11.19 0.59 1.01 1.21 0.00 -1.92 -1.03 103.07 114.13 1ggk h GLY 679 Ca -0.23 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ggk h GLY 679 CO 1.12 -0.30 0.54 -0.55 0.00 0.00 0.00 176.54 177.35 1ggk h ASP 680 N 0.01 0.97 -0.34 0.19 3.45 -1.96 -0.05 116.42 118.69 1ggk h ASP 680 Ca 0.38 -0.04 -0.13 0.00 0.43 0.00 0.00 57.03 57.67 1ggk h ASP 680 Cb 0.59 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 1ggk h ASP 680 CO -0.79 0.72 -0.29 0.00 -1.57 0.00 0.00 179.24 177.31 1ggk h ALA 681 N 1.30 0.50 -0.02 3.45 0.00 -1.54 -0.39 119.26 122.54 1ggk h ALA 681 Ca 0.31 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ggk h ALA 681 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ggk h ALA 681 CO -0.06 0.52 0.01 -0.91 0.00 0.00 0.00 179.25 178.80 1ggk h ASN 682 N 0.59 0.04 -0.99 0.00 2.35 -1.13 -2.99 115.58 113.45 1ggk h ASN 682 Ca 0.06 -0.24 0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1ggk h ASN 682 Cb 0.86 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 39.15 1ggk h ASN 682 CO 0.07 0.27 0.63 0.22 -1.65 0.00 0.00 177.43 176.97 1ggk h TYR 683 N -0.19 1.14 -0.84 1.19 5.03 -0.98 -1.07 116.97 121.24 1ggk h TYR 683 Ca 0.01 0.03 0.19 0.00 2.58 0.00 0.00 58.73 61.54 1ggk h TYR 683 Cb 0.25 -0.37 -0.11 0.00 1.55 0.00 0.00 36.73 38.05 1ggk h TYR 683 CO 0.01 0.51 0.33 -0.92 -1.32 0.00 0.00 178.16 176.77 1ggk h TYR 684 N 1.04 0.55 -0.02 -3.82 5.03 -0.91 -1.22 116.97 117.62 1ggk h TYR 684 Ca 0.46 0.04 -0.16 0.00 2.58 0.00 0.00 58.73 61.65 1ggk h TYR 684 Cb 0.36 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1ggk h TYR 684 CO -0.00 -0.02 -0.73 -0.07 -1.32 0.00 0.00 178.16 176.02 1ggk h LEU 685 N 0.40 0.19 -0.88 2.82 3.38 -1.15 -3.13 115.31 116.93 1ggk h LEU 685 Ca 0.50 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 1ggk h LEU 685 Cb 0.88 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1ggk h LEU 685 CO -0.49 0.85 -0.23 0.24 0.09 0.00 0.00 178.44 178.90 1ggk h MET 686 N 0.10 0.57 -0.08 1.13 2.86 -0.99 -1.85 114.93 116.66 1ggk h MET 686 Ca -0.02 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 1ggk h MET 686 Cb 1.29 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 1ggk h MET 686 CO 0.11 0.75 -0.12 1.49 1.06 0.00 0.00 176.91 180.20 1ggk h GLU 687 N 0.50 0.23 -0.96 1.72 4.81 -1.43 -1.22 114.58 118.22 1ggk h GLU 687 Ca 0.07 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1ggk h GLU 687 Cb 0.67 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1ggk h GLU 687 CO 0.05 0.70 0.62 0.00 -0.73 0.00 0.00 179.01 179.65 1ggk h ALA 688 N 0.53 1.42 -0.16 2.92 0.00 -1.51 -0.73 119.26 121.74 1ggk h ALA 688 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ggk h ALA 688 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ggk h ALA 688 CO 0.03 0.45 0.04 -0.92 0.00 0.00 0.00 179.25 178.85 1ggk h TYR 689 N 1.15 0.26 -0.98 0.00 3.20 -1.31 0.05 116.97 119.35 1ggk h TYR 689 Ca 0.40 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.28 1ggk h TYR 689 Cb 0.11 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 1ggk h TYR 689 CO -0.00 0.39 0.64 -0.22 -1.64 0.00 0.00 178.16 177.33 1ggk h LYS 690 N 0.06 1.18 -0.81 1.82 3.64 -0.47 -2.17 116.57 119.82 1ggk h LYS 690 Ca 0.05 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ggk h LYS 690 Cb 0.26 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ggk h LYS 690 CO 0.00 0.78 0.00 0.72 -2.27 0.00 0.00 179.45 178.68 1ggk n HIS 691 N -4.45 0.97 -2.02 1.91 8.25 -0.35 -4.91 115.22 114.61 1ggk n HIS 691 Ca 0.14 -0.34 -0.20 0.00 -0.26 0.00 0.00 57.72 57.06 1ggk n HIS 691 Cb 0.12 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 1ggk n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ggk n LEU 692 N 0.29 -1.71 -4.85 2.41 4.77 -0.82 -4.91 117.00 112.18 1ggk n LEU 692 Ca 0.13 0.21 -0.34 0.00 -0.03 0.00 0.00 56.01 55.98 1ggk n LEU 692 Cb 0.69 -2.80 -0.06 0.00 -2.33 0.00 0.00 43.42 38.92 1ggk n LEU 692 CO 0.15 -0.58 0.24 -0.54 -1.33 0.00 0.00 177.39 175.33 1ggk s LYS 693 N -4.41 3.94 0.33 3.23 1.02 -0.02 -0.24 119.74 123.59 1ggk s LYS 693 Ca 0.00 0.45 -0.29 0.00 0.02 0.00 0.00 55.97 56.15 1ggk s LYS 693 Cb 0.00 -2.84 -0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1ggk s LYS 693 CO 0.00 0.42 1.43 -2.14 -0.92 0.00 0.00 175.35 174.14 1ggk s PRO 694 N -2.21 4.23 -0.06 -1.68 0.02 -1.26 -4.57 135.00 129.47 1ggk s PRO 694 Ca 0.41 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.86 1ggk s PRO 694 Cb -0.14 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1ggk s PRO 694 CO 0.20 -0.40 -0.17 0.42 -0.33 0.00 0.00 177.00 176.71 1ggk s ILE 695 N -0.79 1.46 -0.14 2.83 1.01 -0.80 -2.13 121.20 122.64 1ggk s ILE 695 Ca 0.54 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1ggk s ILE 695 Cb -0.43 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 1ggk s ILE 695 CO 0.54 0.42 -0.16 0.00 0.00 0.00 0.00 174.94 175.75 1ggk s ALA 696 N 0.29 2.48 -0.12 9.38 0.00 -0.27 -0.60 121.76 132.93 1ggk s ALA 696 Ca -0.10 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1ggk s ALA 696 Cb -0.14 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.83 1ggk s ALA 696 CO 0.04 0.08 -0.17 -0.51 0.00 0.00 0.00 175.76 175.21 1ggk s LEU 697 N 0.63 1.80 -0.01 0.00 1.43 0.16 -1.15 118.68 121.54 1ggk s LEU 697 Ca -0.09 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1ggk s LEU 697 Cb -0.16 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 1ggk s LEU 697 CO 0.03 0.03 -0.23 0.00 0.23 0.00 0.00 176.35 176.40 1ggk s ALA 698 N 0.96 2.31 0.00 4.21 0.00 -0.93 -3.00 121.76 125.31 1ggk s ALA 698 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1ggk s ALA 698 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1ggk s ALA 698 CO -0.02 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1ggk n GLY 699 N 2.22 3.29 0.04 0.00 0.00 0.21 -1.48 105.19 109.47 1ggk n GLY 699 Ca -0.16 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.91 1ggk n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ggk n ASP 700 N 3.98 0.18 0.22 1.61 8.00 -1.26 -2.16 116.55 127.13 1ggk n ASP 700 Ca 0.00 0.56 0.14 0.00 0.71 0.00 0.00 54.79 56.20 1ggk n ASP 700 Cb 0.00 -0.59 0.75 0.00 -0.02 0.00 0.00 41.12 41.26 1ggk n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ggk h ALA 701 N 2.29 1.05 0.00 2.24 0.00 -1.52 -1.89 119.26 121.42 1ggk h ALA 701 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ggk h ALA 701 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ggk h ALA 701 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1ggk h ARG 702 N 0.00 0.00 -0.13 0.00 3.08 -1.62 -2.34 114.38 113.37 1ggk h ARG 702 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1ggk h ARG 702 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1ggk h ARG 702 CO 0.00 0.00 0.11 0.87 -1.07 0.00 0.00 179.97 179.88 1ggk h LYS 703 N 0.00 0.00 0.00 0.04 1.79 -1.61 -1.51 116.57 115.28 1ggk h LYS 703 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ggk h LYS 703 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1ggk h LYS 703 CO 0.00 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.56 1ggk n PHE 704 N -4.21 0.00 0.27 -1.35 3.01 -0.88 -3.34 117.46 110.96 1ggk n PHE 704 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 1ggk n PHE 704 Cb 0.22 -0.47 0.74 0.00 -0.01 0.00 0.00 39.48 39.96 1ggk n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ggk h LYS 705 N 0.00 0.00 -0.03 -1.08 1.57 -1.50 -1.80 116.57 113.74 1ggk h LYS 705 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1ggk h LYS 705 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1ggk h LYS 705 CO 0.00 0.03 -0.52 0.00 -0.57 0.00 0.00 179.45 178.39 1ggk h ALA 706 N 1.97 1.07 -0.34 3.86 0.00 -1.79 -1.88 119.26 122.15 1ggk h ALA 706 Ca -0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1ggk h ALA 706 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ggk h ALA 706 CO 0.00 0.66 -0.39 1.15 0.00 0.00 0.00 179.25 180.68 1ggk h THR 707 N 0.07 1.28 -0.84 0.00 2.02 -1.56 -2.56 112.91 111.32 1ggk h THR 707 Ca -0.00 -1.56 -0.44 0.00 0.77 0.00 0.00 66.41 65.18 1ggk h THR 707 Cb 0.95 1.49 -0.26 0.00 -1.74 0.00 0.00 68.15 68.59 1ggk h THR 707 CO 0.07 0.51 0.56 2.30 0.37 0.00 0.00 175.52 179.33 1ggk n ILE 708 N -4.11 2.86 -0.33 3.11 -5.35 -1.18 -4.96 119.36 109.41 1ggk n ILE 708 Ca -0.03 -1.62 0.00 0.00 -0.27 0.00 0.00 62.75 60.83 1ggk n ILE 708 Cb 0.54 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 1ggk n ILE 708 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1ggk n LYS 709 N -0.89 0.00 -3.65 6.28 3.00 -0.72 -4.86 118.16 117.32 1ggk n LYS 709 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.80 1ggk n LYS 709 Cb 1.49 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 36.51 1ggk n LYS 709 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1ggk s ILE 710 N 0.00 0.00 0.00 3.15 1.10 -1.14 -5.03 121.20 119.27 1ggk s ILE 710 Ca 0.00 -0.31 0.00 0.00 -0.51 0.00 0.00 60.65 59.83 1ggk s ILE 710 Cb 0.00 -1.81 0.00 0.00 0.15 0.00 0.00 42.46 40.80 1ggk s ILE 710 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.83 1ggk n ALA 711 N -0.42 -1.00 -0.06 1.50 0.00 -1.26 -4.80 120.51 114.47 1ggk n ALA 711 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 1ggk n ALA 711 Cb 0.62 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 1ggk n ALA 711 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ggk n ASP 712 N 0.32 2.17 -0.28 0.00 5.68 -1.26 -4.35 116.55 118.83 1ggk n ASP 712 Ca 0.00 -0.01 0.11 0.00 -0.50 0.00 0.00 54.79 54.39 1ggk n ASP 712 Cb 0.00 0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 40.62 1ggk n ASP 712 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ggk n GLN 713 N -2.51 0.69 0.00 0.11 1.13 -1.26 -5.08 117.38 110.46 1ggk n GLN 713 Ca -0.20 -0.56 0.00 0.00 -1.94 0.00 0.00 57.00 54.30 1ggk n GLN 713 Cb 0.87 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.73 1ggk n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ggk n GLY 714 N 1.45 0.37 3.27 1.08 0.00 -1.26 -5.09 105.19 105.00 1ggk n GLY 714 Ca 0.07 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 1ggk n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggk s GLU 715 N -1.88 0.96 0.27 1.61 -1.05 -1.26 -4.83 118.70 112.52 1ggk s GLU 715 Ca 0.00 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 53.73 1ggk s GLU 715 Cb 0.00 0.41 -0.12 0.00 -0.44 0.00 0.00 34.13 33.99 1ggk s GLU 715 CO 0.00 -0.35 1.63 -1.21 0.95 0.00 0.00 175.26 176.28 1ggk s GLU 716 N -3.73 4.12 0.00 -4.83 2.02 -1.26 -2.20 118.70 112.82 1ggk s GLU 716 Ca 0.03 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.62 1ggk s GLU 716 Cb 0.03 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1ggk s GLU 716 CO -0.11 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 174.91 1ggk n GLY 717 N 2.59 2.53 3.24 -1.39 0.00 -1.26 -4.90 105.19 106.00 1ggk n GLY 717 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1ggk n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggk s ILE 718 N -2.51 3.04 -0.27 -0.61 -1.09 -0.93 -1.91 121.20 116.92 1ggk s ILE 718 Ca 0.00 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.51 1ggk s ILE 718 Cb 0.00 -2.47 -0.05 0.00 -1.58 0.00 0.00 42.46 38.37 1ggk s ILE 718 CO 0.00 0.31 0.20 -0.69 -1.23 0.00 0.00 174.94 173.53 1ggk s VAL 719 N 1.39 5.31 0.07 2.92 1.01 0.23 -4.62 120.40 126.70 1ggk s VAL 719 Ca 0.03 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1ggk s VAL 719 Cb -0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1ggk s VAL 719 CO -0.04 0.26 -0.12 -1.83 0.00 0.00 0.00 175.10 173.37 1ggk s GLU 720 N 1.62 0.74 0.05 2.72 -1.05 -1.26 0.40 118.70 121.92 1ggk s GLU 720 Ca 0.08 -0.93 -0.28 0.00 -0.15 0.00 0.00 54.97 53.69 1ggk s GLU 720 Cb -0.15 -0.62 0.09 0.00 -0.44 0.00 0.00 34.13 33.00 1ggk s GLU 720 CO 0.09 0.13 1.03 0.00 0.95 0.00 0.00 175.26 177.46 1ggk s ALA 721 N -1.49 -1.84 0.19 -0.84 0.00 -1.16 -4.99 121.76 111.63 1ggk s ALA 721 Ca -0.03 0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 1ggk s ALA 721 Cb -0.09 0.47 0.12 0.00 0.00 0.00 0.00 23.12 23.62 1ggk s ALA 721 CO 0.01 -0.93 1.60 -0.44 0.00 0.00 0.00 175.76 176.01 1ggk h ASP 722 N 2.00 0.89 -5.19 0.00 5.19 -1.91 0.63 116.42 118.03 1ggk h ASP 722 Ca -0.24 -0.32 -0.10 0.00 -0.62 0.00 0.00 57.03 55.75 1ggk h ASP 722 Cb 1.22 -0.24 -0.14 0.00 0.18 0.00 0.00 39.33 40.34 1ggk h ASP 722 CO 0.27 1.07 -0.49 -0.94 -3.12 0.00 0.00 179.24 176.02 1ggk s SER 723 N -6.73 0.26 -0.48 6.45 1.04 -1.26 -2.31 113.70 110.68 1ggk s SER 723 Ca -0.10 -0.78 -0.29 0.00 0.48 0.00 0.00 55.95 55.26 1ggk s SER 723 Cb 0.13 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1ggk s SER 723 CO 0.85 -0.67 1.31 0.00 0.98 0.00 0.00 173.24 175.71 1ggk s ALA 724 N -3.86 3.02 0.00 5.32 0.00 -1.26 -4.85 121.76 120.13 1ggk s ALA 724 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1ggk s ALA 724 Cb 0.06 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1ggk s ALA 724 CO -0.10 -2.49 0.00 -0.40 0.00 0.00 0.00 175.76 172.76 1ggk n ASP 725 N 8.66 1.46 -0.12 0.00 5.68 -1.26 -4.75 116.55 126.22 1ggk n ASP 725 Ca 0.14 -0.21 -0.12 0.00 -0.50 0.00 0.00 54.79 54.10 1ggk n ASP 725 Cb 0.49 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1ggk n ASP 725 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ggk h GLY 726 N 0.00 1.01 0.81 6.12 0.00 -1.93 -2.02 103.07 107.06 1ggk h GLY 726 Ca 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1ggk h GLY 726 CO 0.00 0.90 -0.06 0.23 0.00 0.00 0.00 176.54 177.60 1ggk h SER 727 N 0.77 -0.15 0.11 0.19 0.87 -1.97 -1.15 113.55 112.23 1ggk h SER 727 Ca 0.08 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1ggk h SER 727 Cb 0.92 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 1ggk h SER 727 CO 0.09 0.07 -0.41 0.15 -0.53 0.00 0.00 176.83 176.19 1ggk h PHE 728 N -0.37 -1.15 -0.97 2.24 3.04 -1.87 -2.03 116.94 115.83 1ggk h PHE 728 Ca -0.02 0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.01 1ggk h PHE 728 Cb 0.30 0.49 -0.06 0.00 2.56 0.00 0.00 35.95 39.23 1ggk h PHE 728 CO -0.01 -0.51 0.63 0.52 -2.02 0.00 0.00 178.31 176.92 1ggk h MET 729 N -0.64 1.13 -0.27 1.11 2.86 -1.38 -2.17 114.93 115.57 1ggk h MET 729 Ca 0.02 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1ggk h MET 729 Cb 0.67 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1ggk h MET 729 CO -0.24 0.75 -0.24 -0.44 1.06 0.00 0.00 176.91 177.79 1ggk h ASP 730 N 1.16 0.53 0.51 1.22 3.32 -0.72 0.10 116.42 122.54 1ggk h ASP 730 Ca 0.40 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1ggk h ASP 730 Cb 0.11 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1ggk h ASP 730 CO -0.14 0.76 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.57 1ggk h GLU 731 N 0.46 -0.66 -0.66 3.56 5.08 -0.87 -0.07 114.58 121.44 1ggk h GLU 731 Ca 0.07 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1ggk h GLU 731 Cb 0.67 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 1ggk h GLU 731 CO 0.05 -0.43 0.31 1.25 -1.00 0.00 0.00 179.01 179.18 1ggk h LEU 732 N -0.69 0.39 -1.12 1.33 7.12 -1.22 -0.33 115.31 120.80 1ggk h LEU 732 Ca -0.07 0.06 -0.09 0.00 0.13 0.00 0.00 57.88 57.91 1ggk h LEU 732 Cb 0.52 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1ggk h LEU 732 CO 0.11 0.23 -0.33 -0.07 -0.13 0.00 0.00 178.44 178.26 1ggk h LEU 733 N 0.54 0.20 -0.55 2.25 3.38 -0.84 -0.63 115.31 119.66 1ggk h LEU 733 Ca 0.32 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1ggk h LEU 733 Cb 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ggk h LEU 733 CO -0.26 0.53 -0.35 0.74 0.09 0.00 0.00 178.44 179.19 1ggk h THR 734 N 0.17 1.28 -0.52 0.22 2.02 0.24 -2.21 112.91 114.12 1ggk h THR 734 Ca 0.02 -1.51 -0.06 0.00 0.77 0.00 0.00 66.41 65.63 1ggk h THR 734 Cb 0.67 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1ggk h THR 734 CO 0.05 0.50 0.08 -0.07 0.37 0.00 0.00 175.52 176.44 1ggk h LEU 735 N 0.66 0.83 -1.63 2.58 3.38 -0.76 -2.74 115.31 117.63 1ggk h LEU 735 Ca 0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1ggk h LEU 735 Cb 0.90 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1ggk h LEU 735 CO 0.08 0.89 -0.20 0.24 0.09 0.00 0.00 178.44 179.54 1ggk h MET 736 N 0.75 0.00 0.00 1.13 2.86 -0.88 -1.01 114.93 117.77 1ggk h MET 736 Ca 0.16 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1ggk h MET 736 Cb 0.41 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1ggk h MET 736 CO 0.01 0.20 -0.09 0.00 1.06 0.00 0.00 176.91 178.10 1ggk h ALA 737 N 1.80 1.03 -0.16 6.32 0.00 -1.09 -2.09 119.26 125.07 1ggk h ALA 737 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ggk h ALA 737 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ggk h ALA 737 CO 0.03 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1ggk n ALA 738 N -2.15 2.52 0.00 0.00 0.00 -0.39 -4.36 120.51 116.12 1ggk n ALA 738 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1ggk n ALA 738 Cb 0.33 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1ggk n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ggk n HIS 739 N 0.29 0.00 -4.22 0.00 -0.00 -0.79 -4.82 115.22 105.68 1ggk n HIS 739 Ca 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.76 1ggk n HIS 739 Cb 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.21 1ggk n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ggk s ARG 740 N 0.00 1.06 -1.06 1.57 1.81 -1.26 -4.78 118.95 116.29 1ggk s ARG 740 Ca 0.00 -1.51 -0.12 0.00 -1.72 0.00 0.00 55.73 52.38 1ggk s ARG 740 Cb 0.00 -0.14 0.22 0.00 -0.45 0.00 0.00 34.95 34.58 1ggk s ARG 740 CO 0.00 -0.16 1.13 0.08 -0.68 0.00 0.00 175.30 175.67 1ggk s VAL 741 N -3.75 5.53 0.45 3.52 1.01 0.67 -4.90 120.40 122.93 1ggk s VAL 741 Ca 0.24 -2.81 0.14 0.00 0.00 0.00 0.00 61.98 59.54 1ggk s VAL 741 Cb 0.06 -4.68 0.32 0.00 0.00 0.00 0.00 36.38 32.09 1ggk s VAL 741 CO 0.03 -1.30 2.01 -0.50 0.00 0.00 0.00 175.10 175.34 1ggk h TRP 742 N 7.27 0.36 0.00 5.22 -0.00 -1.93 -2.31 115.95 124.57 1ggk h TRP 742 Ca 0.20 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.10 1ggk h TRP 742 Cb 0.93 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.97 1ggk h TRP 742 CO 0.95 0.19 0.00 -1.13 -0.00 0.00 0.00 178.44 178.45 1ggk n SER 743 N -4.47 0.63 -0.24 -3.49 3.41 -1.26 -1.61 113.62 106.59 1ggk n SER 743 Ca 0.08 0.72 0.15 0.00 -0.26 0.00 0.00 58.87 59.55 1ggk n SER 743 Cb 0.32 -0.83 0.66 0.00 -0.26 0.00 0.00 64.21 64.10 1ggk n SER 743 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ggk n ARG 744 N -2.27 1.19 0.09 4.33 0.63 -0.87 -4.45 116.66 115.31 1ggk n ARG 744 Ca 0.00 -0.48 -0.12 0.00 -0.92 0.00 0.00 57.85 56.33 1ggk n ARG 744 Cb 0.13 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.50 1ggk n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1ggk h ILE 745 N 1.18 0.51 0.00 5.15 2.04 -1.48 -2.44 117.51 122.48 1ggk h ILE 745 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ggk h ILE 745 Cb 0.32 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1ggk h ILE 745 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.34 1ggk n PRO 746 N -5.34 0.00 0.00 2.37 -0.04 -1.26 -1.91 135.00 128.82 1ggk n PRO 746 Ca -0.06 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1ggk n PRO 746 Cb 0.25 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 1ggk n PRO 746 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ggk n LYS 747 N -1.48 0.45 0.17 0.54 5.02 -0.92 -4.55 118.16 117.39 1ggk n LYS 747 Ca 0.00 -0.12 0.05 0.00 -2.02 0.00 0.00 58.31 56.22 1ggk n LYS 747 Cb 0.00 -1.54 0.19 0.00 -0.02 0.00 0.00 35.03 33.67 1ggk n LYS 747 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1ggk h ILE 748 N 0.00 0.81 -0.25 -0.18 3.07 -1.34 -3.30 117.51 116.32 1ggk h ILE 748 Ca 0.00 -1.82 0.07 0.00 1.55 0.00 0.00 64.86 64.66 1ggk h ILE 748 Cb 0.85 2.16 -0.01 0.00 -0.27 0.00 0.00 36.82 39.55 1ggk h ILE 748 CO 0.00 0.41 0.21 0.44 -1.05 0.00 0.00 178.15 178.16 1ggk h ASP 749 N 0.00 0.00 0.46 2.16 5.19 -1.80 0.44 116.42 122.86 1ggk h ASP 749 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ggk h ASP 749 Cb 1.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1ggk h ASP 749 CO 0.05 0.00 -0.49 0.29 -3.12 0.00 0.00 179.24 175.98 1ggk n LYS 750 N -4.17 0.09 -2.91 3.56 4.76 -1.24 -4.90 118.16 113.34 1ggk n LYS 750 Ca 0.03 -0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 1ggk n LYS 750 Cb 0.36 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.01 1ggk n LYS 750 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1ggk s ILE 751 N -2.95 4.95 -1.04 -0.18 -5.25 0.14 -4.98 121.20 111.89 1ggk s ILE 751 Ca 0.12 1.66 -0.20 0.00 -0.99 0.00 0.00 60.65 61.24 1ggk s ILE 751 Cb 0.18 -4.14 0.09 0.00 2.95 0.00 0.00 42.46 41.54 1ggk s ILE 751 CO 0.69 0.16 1.37 -2.16 -1.79 0.00 0.00 174.94 173.21 1ggk s PRO 752 N 1.24 3.69 0.00 0.37 0.04 -1.26 -5.07 135.00 134.01 1ggk s PRO 752 Ca 0.42 -1.59 0.00 0.00 0.04 0.00 0.00 61.00 59.87 1ggk s PRO 752 Cb -0.18 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1ggk s PRO 752 CO 0.19 -2.02 0.00 0.00 0.04 0.00 0.00 177.00 175.21