#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjk s PRO 2 N 0.00 2.25 -0.13 -2.82 0.04 -1.26 -4.99 135.00 128.09 1hjk s PRO 2 Ca 0.00 0.49 0.02 0.00 0.04 0.00 0.00 61.00 61.56 1hjk s PRO 2 Cb 0.00 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.83 1hjk s PRO 2 CO 0.00 -3.44 -0.20 -2.00 0.04 0.00 0.00 177.00 171.40 1hjk s GLU 3 N 7.73 3.10 -0.09 4.56 2.12 -1.26 -5.10 118.70 129.76 1hjk s GLU 3 Ca 0.80 -0.82 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 1hjk s GLU 3 Cb -0.12 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.80 1hjk s GLU 3 CO 0.13 0.06 0.98 -1.64 -0.54 0.00 0.00 175.26 174.25 1hjk s MET 4 N 0.66 4.45 0.25 4.30 -1.94 -1.26 -4.83 119.30 120.92 1hjk s MET 4 Ca -0.10 1.36 -0.05 0.00 -1.71 0.00 0.00 55.69 55.19 1hjk s MET 4 Cb -0.16 -3.52 -0.05 0.00 2.01 0.00 0.00 34.83 33.10 1hjk s MET 4 CO 0.02 -0.25 0.51 -1.25 -0.01 0.00 0.00 175.02 174.04 1hjk s PRO 5 N 1.77 3.64 -0.14 2.03 0.04 -1.26 -5.03 135.00 136.05 1hjk s PRO 5 Ca 0.48 -0.02 -0.08 0.00 0.04 0.00 0.00 61.00 61.43 1hjk s PRO 5 Cb -0.19 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 1hjk s PRO 5 CO 0.20 0.28 0.14 0.08 0.04 0.00 0.00 177.00 177.74 1hjk s VAL 6 N -1.97 5.47 -0.04 -0.36 1.01 -1.26 -4.77 120.40 118.47 1hjk s VAL 6 Ca 0.43 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 1hjk s VAL 6 Cb -0.11 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1hjk s VAL 6 CO 0.28 0.57 1.96 -0.76 0.00 0.00 0.00 175.10 177.15 1hjk s LEU 7 N -0.64 4.18 -0.00 3.92 1.43 -0.94 -4.81 118.68 121.83 1hjk s LEU 7 Ca 0.13 2.39 0.05 0.00 -1.03 0.00 0.00 54.13 55.67 1hjk s LEU 7 Cb -0.12 -3.53 -0.24 0.00 0.03 0.00 0.00 46.19 42.33 1hjk s LEU 7 CO 0.02 -1.24 0.82 1.05 0.23 0.00 0.00 176.35 177.23 1hjk h GLU 8 N 11.41 0.10 -2.16 1.70 9.09 -1.96 -3.43 114.58 129.33 1hjk h GLU 8 Ca -0.46 -0.17 -0.26 0.00 0.05 0.00 0.00 59.36 58.52 1hjk h GLU 8 Cb 1.23 0.06 -0.33 0.00 -1.65 0.00 0.00 28.75 28.06 1hjk h GLU 8 CO 0.95 0.85 -0.58 1.21 0.05 0.00 0.00 179.01 181.49 1hjk s ASN 9 N -6.57 1.08 -0.14 3.06 3.84 -1.26 -4.95 114.94 110.00 1hjk s ASN 9 Ca -0.06 -0.28 0.15 0.00 0.21 0.00 0.00 52.86 52.88 1hjk s ASN 9 Cb 0.08 0.68 0.50 0.00 -0.55 0.00 0.00 41.25 41.96 1hjk s ASN 9 CO 0.83 -0.34 1.41 0.54 -2.79 0.00 0.00 177.10 176.75 1hjk n ARG 10 N 5.33 3.06 -2.03 0.43 5.12 -1.26 -4.84 116.66 122.47 1hjk n ARG 10 Ca -0.03 -2.67 -0.33 0.00 -1.93 0.00 0.00 57.85 52.88 1hjk n ARG 10 Cb 0.49 -1.73 0.02 0.00 -1.16 0.00 0.00 32.46 30.07 1hjk n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hjk s ALA 11 N -2.33 2.64 -0.22 7.54 0.00 -1.26 -4.64 121.76 123.48 1hjk s ALA 11 Ca 0.39 0.57 -0.33 0.00 0.00 0.00 0.00 51.96 52.58 1hjk s ALA 11 Cb 0.29 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 1hjk s ALA 11 CO 0.12 -0.93 2.09 0.00 0.00 0.00 0.00 175.76 177.03 1hjk n ALA 12 N -1.91 1.17 -0.27 0.00 0.00 0.42 -4.46 120.51 115.46 1hjk n ALA 12 Ca 0.10 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.62 1hjk n ALA 12 Cb 0.52 -2.62 0.20 0.00 0.00 0.00 0.00 19.45 17.55 1hjk n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1hjk h GLN 13 N 11.92 0.44 0.00 0.00 1.08 -1.01 -3.47 115.11 124.07 1hjk h GLN 13 Ca -0.38 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1hjk h GLN 13 Cb 1.28 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1hjk h GLN 13 CO 0.98 0.29 0.00 0.41 -0.95 0.00 0.00 178.83 179.56 1hjk n GLY 14 N -1.33 4.05 3.56 3.46 0.00 0.19 -5.03 105.19 110.09 1hjk n GLY 14 Ca 0.15 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1hjk n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hjk s ASP 15 N 1.20 6.02 0.65 1.61 2.15 -1.24 -4.77 116.67 122.29 1hjk s ASP 15 Ca 0.00 0.00 0.31 0.00 0.43 0.00 0.00 52.55 53.29 1hjk s ASP 15 Cb 0.00 -2.55 1.69 0.00 -0.30 0.00 0.00 42.92 41.76 1hjk s ASP 15 CO 0.00 -1.86 1.98 0.16 -0.17 0.00 0.00 175.17 175.28 1hjk h ILE 16 N 6.31 0.08 0.00 4.11 3.07 -1.96 0.74 117.51 129.87 1hjk h ILE 16 Ca -0.27 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1hjk h ILE 16 Cb 1.09 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1hjk h ILE 16 CO 1.22 0.00 -0.54 0.35 -1.05 0.00 0.00 178.15 178.14 1hjk n THR 17 N -3.08 0.31 -3.82 0.16 -2.24 -1.26 -4.46 114.28 99.90 1hjk n THR 17 Ca -0.01 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.29 1hjk n THR 17 Cb 0.38 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1hjk n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hjk s ALA 18 N -3.13 3.89 -0.04 6.98 0.00 0.25 -5.03 121.76 124.68 1hjk s ALA 18 Ca 0.07 -1.00 -0.35 0.00 0.00 0.00 0.00 51.96 50.69 1hjk s ALA 18 Cb 0.14 -1.87 -0.13 0.00 0.00 0.00 0.00 23.12 21.26 1hjk s ALA 18 CO 0.70 0.38 1.78 -2.30 0.00 0.00 0.00 175.76 176.33 1hjk n PRO 19 N -0.91 2.05 -0.98 0.00 -0.02 -1.26 -0.96 135.00 132.92 1hjk n PRO 19 Ca -0.07 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1hjk n PRO 19 Cb 0.55 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1hjk n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hjk n GLY 20 N 4.10 0.19 0.06 -1.23 0.00 -1.26 -4.85 105.19 102.21 1hjk n GLY 20 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1hjk n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hjk n GLY 21 N -0.55 -1.55 1.10 -0.02 0.00 -0.13 -2.51 105.19 101.53 1hjk n GLY 21 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1hjk n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk n ALA 22 N -1.66 2.41 -1.76 4.61 0.00 -1.26 0.56 120.51 123.42 1hjk n ALA 22 Ca 0.06 -0.97 -0.37 0.00 0.00 0.00 0.00 53.44 52.16 1hjk n ALA 22 Cb 0.36 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 19.01 1hjk n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hjk s ARG 23 N -1.46 3.17 -0.02 0.00 0.52 -1.04 -4.64 118.95 115.47 1hjk s ARG 23 Ca 0.36 1.89 0.15 0.00 -0.52 0.00 0.00 55.73 57.62 1hjk s ARG 23 Cb 0.22 -2.09 -0.24 0.00 0.52 0.00 0.00 34.95 33.36 1hjk s ARG 23 CO 0.30 -1.06 0.34 0.54 0.02 0.00 0.00 175.30 175.44 1hjk n ARG 24 N -1.26 0.50 -4.10 3.54 1.74 -1.26 -0.80 116.66 115.02 1hjk n ARG 24 Ca 0.12 -0.14 -0.28 0.00 -0.77 0.00 0.00 57.85 56.78 1hjk n ARG 24 Cb 0.48 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 1hjk n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hjk s LEU 25 N -4.03 3.66 -0.03 0.55 1.43 -1.26 -4.42 118.68 114.59 1hjk s LEU 25 Ca -0.05 -0.15 0.17 0.00 -1.03 0.00 0.00 54.13 53.07 1hjk s LEU 25 Cb 0.10 -2.32 -0.26 0.00 0.03 0.00 0.00 46.19 43.73 1hjk s LEU 25 CO 0.64 0.12 0.36 0.35 0.23 0.00 0.00 176.35 178.05 1hjk n THR 26 N 0.08 0.05 -3.36 5.49 -2.24 -1.26 -5.02 114.28 108.02 1hjk n THR 26 Ca -0.09 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 1hjk n THR 26 Cb 0.53 0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1hjk n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hjk n GLY 27 N 1.54 1.47 3.74 3.38 0.00 -1.26 -5.14 105.19 108.92 1hjk n GLY 27 Ca -0.04 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1hjk n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hjk s ASP 28 N -1.65 6.56 0.27 1.61 -1.08 -1.26 -4.96 116.67 116.15 1hjk s ASP 28 Ca 0.05 2.75 0.15 0.00 -0.52 0.00 0.00 52.55 54.98 1hjk s ASP 28 Cb -0.01 -2.62 0.06 0.00 -1.46 0.00 0.00 42.92 38.88 1hjk s ASP 28 CO 0.03 -0.79 1.42 1.56 0.52 0.00 0.00 175.17 177.91 1hjk h GLN 29 N 5.29 0.00 -0.54 4.34 1.08 -2.02 -3.41 115.11 119.86 1hjk h GLN 29 Ca -0.46 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 56.79 1hjk h GLN 29 Cb 1.22 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.58 1hjk h GLN 29 CO 0.81 0.48 -0.32 2.41 -0.95 0.00 0.00 178.83 181.26 1hjk n THR 30 N -3.21 -0.37 -0.17 -0.54 -1.04 -1.26 -1.24 114.28 106.46 1hjk n THR 30 Ca 0.01 1.44 -0.08 0.00 -2.04 0.00 0.00 64.05 63.39 1hjk n THR 30 Cb 0.74 -1.79 0.01 0.00 -1.82 0.00 0.00 70.33 67.46 1hjk n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hjk h ALA 31 N 0.18 0.62 -0.10 2.41 0.00 -1.97 0.39 119.26 120.80 1hjk h ALA 31 Ca 0.09 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1hjk h ALA 31 Cb 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1hjk h ALA 31 CO -0.51 0.17 -0.11 0.00 0.00 0.00 0.00 179.25 178.81 1hjk h ALA 32 N 1.08 -0.03 -0.23 0.00 0.00 -1.45 0.25 119.26 118.88 1hjk h ALA 32 Ca 0.17 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1hjk h ALA 32 Cb 0.10 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hjk h ALA 32 CO -0.02 -0.57 0.14 1.25 0.00 0.00 0.00 179.25 180.05 1hjk h LEU 33 N -0.13 0.24 0.00 0.00 5.85 -0.56 0.98 115.31 121.69 1hjk h LEU 33 Ca 0.07 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1hjk h LEU 33 Cb 0.24 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1hjk h LEU 33 CO -0.18 0.18 0.00 -1.14 -0.34 0.00 0.00 178.44 176.95 1hjk n ARG 34 N -4.94 0.07 0.00 1.25 0.63 0.13 -1.39 116.66 112.41 1hjk n ARG 34 Ca -0.03 0.27 0.09 0.00 -0.92 0.00 0.00 57.85 57.27 1hjk n ARG 34 Cb 0.03 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.38 1hjk n ARG 34 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1hjk n ASP 35 N -1.38 1.33 -1.10 6.15 9.92 0.29 -4.36 116.55 127.41 1hjk n ASP 35 Ca 0.03 -1.17 0.05 0.00 -0.53 0.00 0.00 54.79 53.17 1hjk n ASP 35 Cb 0.08 0.77 0.26 0.00 -0.64 0.00 0.00 41.12 41.59 1hjk n ASP 35 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1hjk n SER 36 N -0.83 3.83 -4.31 -2.24 3.41 -0.48 -4.08 113.62 108.91 1hjk n SER 36 Ca 0.06 -3.16 -0.37 0.00 -0.26 0.00 0.00 58.87 55.14 1hjk n SER 36 Cb 0.35 -0.59 -0.13 0.00 -0.26 0.00 0.00 64.21 63.58 1hjk n SER 36 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hjk s LEU 37 N -2.92 3.67 -0.09 1.04 1.43 -1.23 -4.69 118.68 115.90 1hjk s LEU 37 Ca 0.45 -0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1hjk s LEU 37 Cb 0.37 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.79 1hjk s LEU 37 CO 0.08 -0.17 0.22 -0.55 0.23 0.00 0.00 176.35 176.16 1hjk s SER 38 N 1.46 -0.23 0.00 2.29 0.15 -1.26 -5.02 113.70 111.09 1hjk s SER 38 Ca 0.02 0.46 0.24 0.00 0.70 0.00 0.00 55.95 57.37 1hjk s SER 38 Cb -0.17 0.41 0.45 0.00 -1.71 0.00 0.00 66.02 65.01 1hjk s SER 38 CO 0.01 -0.11 1.41 -0.90 1.20 0.00 0.00 173.24 174.84 1hjk n ASP 39 N 3.49 2.84 -4.63 5.45 5.68 -1.26 -0.19 116.55 127.93 1hjk n ASP 39 Ca -0.18 -1.91 -0.30 0.00 -0.50 0.00 0.00 54.79 51.90 1hjk n ASP 39 Cb 0.56 -0.11 0.19 0.00 -1.14 0.00 0.00 41.12 40.62 1hjk n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1hjk s LYS 40 N -1.78 0.56 0.52 0.11 -2.85 -1.26 -4.80 119.74 110.25 1hjk s LYS 40 Ca 0.34 1.41 -0.22 0.00 -1.00 0.00 0.00 55.97 56.50 1hjk s LYS 40 Cb 0.21 -1.68 -0.06 0.00 -2.06 0.00 0.00 37.83 34.24 1hjk s LYS 40 CO 0.31 -2.90 1.33 -2.14 0.10 0.00 0.00 175.35 172.04 1hjk s PRO 41 N -4.60 3.29 -0.18 1.78 0.02 -1.26 -4.45 135.00 129.61 1hjk s PRO 41 Ca 0.67 2.16 -0.21 0.00 0.02 0.00 0.00 61.00 63.64 1hjk s PRO 41 Cb -0.23 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.95 1hjk s PRO 41 CO 0.59 -1.04 0.64 0.00 -0.33 0.00 0.00 177.00 176.86 1hjk s ALA 42 N -1.34 3.51 0.11 -1.55 0.00 0.32 -4.90 121.76 117.91 1hjk s ALA 42 Ca 0.69 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 1hjk s ALA 42 Cb -0.38 -2.96 -0.15 0.00 0.00 0.00 0.00 23.12 19.63 1hjk s ALA 42 CO 0.46 -0.47 1.30 -0.22 0.00 0.00 0.00 175.76 176.83 1hjk h LYS 43 N 7.34 0.75 -4.62 0.00 3.64 -0.37 -3.37 116.57 119.93 1hjk h LYS 43 Ca -0.33 -0.64 -0.23 0.00 -1.27 0.00 0.00 60.65 58.18 1hjk h LYS 43 Cb 1.15 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.97 1hjk h LYS 43 CO 0.77 1.24 -0.67 -0.80 -2.27 0.00 0.00 179.45 177.73 1hjk s ASN 44 N -7.13 0.89 -0.03 4.20 0.01 -0.87 -3.51 114.94 108.50 1hjk s ASN 44 Ca -0.10 -1.14 -0.01 0.00 -0.71 0.00 0.00 52.86 50.90 1hjk s ASN 44 Cb 0.09 0.17 0.03 0.00 0.41 0.00 0.00 41.25 41.94 1hjk s ASN 44 CO 0.90 -0.60 0.06 -0.63 -1.51 0.00 0.00 177.10 175.33 1hjk s ILE 45 N -3.78 -0.04 -0.20 0.60 1.01 -0.62 -2.26 121.20 115.91 1hjk s ILE 45 Ca 0.20 0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1hjk s ILE 45 Cb 0.07 -0.12 0.04 0.00 0.01 0.00 0.00 42.46 42.46 1hjk s ILE 45 CO 0.01 0.06 -0.12 -0.63 0.00 0.00 0.00 174.94 174.26 1hjk s ILE 46 N 0.84 1.70 -0.33 2.92 1.01 -0.79 -1.24 121.20 125.32 1hjk s ILE 46 Ca -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.54 1hjk s ILE 46 Cb -0.10 -1.74 0.05 0.00 0.01 0.00 0.00 42.46 40.68 1hjk s ILE 46 CO -0.03 0.22 0.07 -0.22 0.00 0.00 0.00 174.94 174.98 1hjk s LEU 47 N 1.38 4.21 -0.19 2.97 2.96 0.05 -1.58 118.68 128.48 1hjk s LEU 47 Ca -0.01 -1.27 -0.14 0.00 -0.22 0.00 0.00 54.13 52.50 1hjk s LEU 47 Cb -0.16 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1hjk s LEU 47 CO -0.09 -0.32 0.31 -0.76 -1.32 0.00 0.00 176.35 174.17 1hjk s LEU 48 N 1.32 4.19 -0.14 -0.68 2.01 0.15 -0.67 118.68 124.87 1hjk s LEU 48 Ca -0.03 0.44 0.01 0.00 0.01 0.00 0.00 54.13 54.56 1hjk s LEU 48 Cb -0.20 -2.38 0.02 0.00 0.01 0.00 0.00 46.19 43.64 1hjk s LEU 48 CO 0.01 0.03 -0.14 -0.63 1.01 0.00 0.00 176.35 176.63 1hjk s ILE 49 N 0.87 1.53 -0.44 -0.59 -1.09 -0.10 -1.79 121.20 119.58 1hjk s ILE 49 Ca 0.16 -0.62 -0.17 0.00 -2.23 0.00 0.00 60.65 57.79 1hjk s ILE 49 Cb -0.14 -1.43 0.04 0.00 -1.58 0.00 0.00 42.46 39.35 1hjk s ILE 49 CO 0.05 0.45 0.46 -0.83 -1.23 0.00 0.00 174.94 173.84 1hjk s GLY 50 N 1.37 1.90 -0.04 6.18 0.00 0.34 -0.96 107.32 116.10 1hjk s GLY 50 Ca 0.02 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 42.78 1hjk s GLY 50 CO -0.08 1.19 1.77 -0.35 0.00 0.00 0.00 173.10 175.63 1hjk s ASP 51 N 2.08 6.54 0.00 1.64 -1.08 -0.97 -1.49 116.67 123.39 1hjk s ASP 51 Ca 0.11 2.32 0.00 0.00 -0.52 0.00 0.00 52.55 54.46 1hjk s ASP 51 Cb -0.19 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1hjk s ASP 51 CO 0.12 -1.02 0.00 0.61 0.52 0.00 0.00 175.17 175.40 1hjk n GLY 52 N 4.35 0.72 3.28 2.66 0.00 -1.25 -1.24 105.19 113.73 1hjk n GLY 52 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1hjk n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1hjk n MET 53 N -2.54 3.08 -1.08 1.61 0.00 -0.56 -3.89 117.12 113.73 1hjk n MET 53 Ca 0.00 -3.05 -0.14 0.00 0.00 0.00 0.00 57.70 54.51 1hjk n MET 53 Cb 0.00 -3.42 0.10 0.00 0.00 0.00 0.00 33.22 29.89 1hjk n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1hjk n GLY 54 N 4.94 -0.95 0.25 -5.12 0.00 -1.26 -4.47 105.19 98.58 1hjk n GLY 54 Ca 0.50 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.83 1hjk n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hjk h ASP 55 N -0.78 0.12 0.45 1.61 5.19 -1.93 -0.91 116.42 120.17 1hjk h ASP 55 Ca -0.21 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.17 1hjk h ASP 55 Cb 0.61 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1hjk h ASP 55 CO 0.16 0.19 -0.22 -1.28 -3.12 0.00 0.00 179.24 174.98 1hjk h SER 56 N 0.13 -0.51 -0.98 6.45 0.87 -1.91 -1.04 113.55 116.55 1hjk h SER 56 Ca 0.03 -0.07 0.16 0.00 -1.23 0.00 0.00 61.79 60.68 1hjk h SER 56 Cb 0.18 0.13 -0.09 0.00 -0.44 0.00 0.00 62.40 62.18 1hjk h SER 56 CO 0.01 -0.23 0.62 -0.33 -0.53 0.00 0.00 176.83 176.37 1hjk h GLU 57 N -0.79 0.80 0.04 2.24 3.07 -1.69 0.13 114.58 118.38 1hjk h GLU 57 Ca -0.06 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1hjk h GLU 57 Cb 0.55 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1hjk h GLU 57 CO 0.10 0.53 -0.02 0.82 -1.40 0.00 0.00 179.01 179.04 1hjk h ILE 58 N 0.83 1.21 -0.09 3.13 2.04 -0.87 -2.55 117.51 121.21 1hjk h ILE 58 Ca 0.52 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1hjk h ILE 58 Cb 0.73 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1hjk h ILE 58 CO -0.30 0.21 -0.02 0.74 0.00 0.00 0.00 178.15 178.79 1hjk h THR 59 N -0.43 0.92 -0.25 -0.27 2.02 -0.60 -2.06 112.91 112.24 1hjk h THR 59 Ca -0.01 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1hjk h THR 59 Cb 0.39 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 1hjk h THR 59 CO 0.01 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.78 1hjk h ALA 60 N 1.08 0.08 -0.29 6.16 0.00 -0.78 -1.02 119.26 124.49 1hjk h ALA 60 Ca 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1hjk h ALA 60 Cb 0.06 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1hjk h ALA 60 CO -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 179.25 178.59 1hjk h ALA 61 N 1.11 1.38 0.57 0.00 0.00 -1.27 -2.23 119.26 118.82 1hjk h ALA 61 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1hjk h ALA 61 Cb 0.29 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1hjk h ALA 61 CO -0.31 0.43 -0.27 -0.09 0.00 0.00 0.00 179.25 179.01 1hjk h ARG 62 N 0.44 -0.74 -0.57 0.00 2.43 -0.89 0.29 114.38 115.35 1hjk h ARG 62 Ca 0.09 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.42 1hjk h ARG 62 Cb 0.36 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 1hjk h ARG 62 CO 0.01 -0.43 0.12 -0.91 -1.51 0.00 0.00 179.97 177.25 1hjk h ASN 63 N -0.94 -0.00 0.45 -3.80 2.35 -1.02 0.98 115.58 113.59 1hjk h ASN 63 Ca -0.08 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1hjk h ASN 63 Cb 0.64 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1hjk h ASN 63 CO 0.13 0.01 -0.22 0.22 -1.65 0.00 0.00 177.43 175.93 1hjk h TYR 64 N 0.25 -0.56 0.00 1.19 5.03 -1.35 -2.85 116.97 118.68 1hjk h TYR 64 Ca 0.30 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.59 1hjk h TYR 64 Cb 0.43 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.90 1hjk h TYR 64 CO -0.25 -0.35 0.00 0.00 -1.32 0.00 0.00 178.16 176.25 1hjk h ALA 65 N -1.54 1.00 0.00 1.82 0.00 -0.12 -0.08 119.26 120.34 1hjk h ALA 65 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hjk h ALA 65 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1hjk h ALA 65 CO 0.10 0.00 -0.31 0.39 0.00 0.00 0.00 179.25 179.43 1hjk n GLU 66 N -2.31 3.28 0.00 0.00 -0.58 0.32 -4.93 120.64 116.42 1hjk n GLU 66 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1hjk n GLU 66 Cb 0.40 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 1hjk n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hjk n GLY 67 N 0.91 1.61 0.36 0.62 0.00 0.02 -4.11 105.19 104.60 1hjk n GLY 67 Ca 0.00 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.35 1hjk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk h ALA 68 N 0.00 1.81 -0.97 4.61 0.00 -1.80 0.20 119.26 123.11 1hjk h ALA 68 Ca 0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1hjk h ALA 68 Cb 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 17.79 17.34 1hjk h ALA 68 CO 0.00 0.03 0.64 0.41 0.00 0.00 0.00 179.25 180.33 1hjk n GLY 69 N -1.46 4.73 0.00 0.00 0.00 -1.26 -4.92 105.19 102.28 1hjk n GLY 69 Ca 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1hjk n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hjk n GLY 70 N -1.11 0.41 3.58 -0.02 0.00 0.70 -0.44 105.19 108.30 1hjk n GLY 70 Ca 0.59 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 1hjk n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hjk s PHE 71 N 0.07 -0.72 -0.30 1.61 5.36 -1.26 -4.64 117.98 118.10 1hjk s PHE 71 Ca 0.00 1.52 -0.08 0.00 -0.96 0.00 0.00 56.93 57.41 1hjk s PHE 71 Cb 0.00 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1hjk s PHE 71 CO 0.00 -0.49 0.11 -0.06 -1.46 0.00 0.00 175.22 173.32 1hjk s PHE 72 N -0.39 3.15 0.55 10.12 0.08 -1.26 -4.96 117.98 125.27 1hjk s PHE 72 Ca -0.05 -0.81 0.24 0.00 0.12 0.00 0.00 56.93 56.43 1hjk s PHE 72 Cb -0.03 -2.29 1.44 0.00 -0.57 0.00 0.00 43.02 41.57 1hjk s PHE 72 CO 0.05 -0.53 2.05 0.87 -0.10 0.00 0.00 175.22 177.57 1hjk h LYS 73 N 8.28 0.00 0.00 0.44 1.57 -1.96 -2.76 116.57 122.13 1hjk h LYS 73 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1hjk h LYS 73 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1hjk h LYS 73 CO 0.61 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.90 1hjk n GLY 74 N -1.56 0.30 0.21 3.86 0.00 -1.26 -4.35 105.19 102.40 1hjk n GLY 74 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1hjk n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hjk n ILE 75 N -0.03 -0.32 0.83 -0.61 5.41 -1.26 0.35 119.36 123.74 1hjk n ILE 75 Ca 0.00 1.21 0.12 0.00 1.00 0.00 0.00 62.75 65.09 1hjk n ILE 75 Cb 0.00 -1.53 0.53 0.00 -0.71 0.00 0.00 39.64 37.93 1hjk n ILE 75 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1hjk n ASP 76 N -4.67 0.14 0.21 4.38 8.00 -1.05 -4.02 116.55 119.54 1hjk n ASP 76 Ca 0.02 0.52 0.09 0.00 0.71 0.00 0.00 54.79 56.13 1hjk n ASP 76 Cb 0.15 -0.55 0.33 0.00 -0.02 0.00 0.00 41.12 41.03 1hjk n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hjk h ALA 77 N 2.81 0.93 -2.34 2.24 0.00 -0.06 -3.45 119.26 119.39 1hjk h ALA 77 Ca 0.00 -0.21 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 1hjk h ALA 77 Cb 0.48 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1hjk h ALA 77 CO 0.00 0.29 1.18 -0.51 0.00 0.00 0.00 179.25 180.22 1hjk s LEU 78 N -6.56 4.40 0.29 0.00 1.43 -1.25 -2.21 118.68 114.78 1hjk s LEU 78 Ca 0.02 2.55 0.06 0.00 -1.03 0.00 0.00 54.13 55.74 1hjk s LEU 78 Cb 0.09 -3.53 0.43 0.00 0.03 0.00 0.00 46.19 43.20 1hjk s LEU 78 CO 0.66 -1.01 1.68 1.55 0.23 0.00 0.00 176.35 179.46 1hjk h PRO 79 N 10.18 0.23 -4.93 1.29 0.13 -1.86 -3.43 132.00 133.60 1hjk h PRO 79 Ca -0.46 -0.11 -0.64 0.00 -0.87 0.00 0.00 66.00 63.91 1hjk h PRO 79 Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 1hjk h PRO 79 CO 0.94 0.63 -0.50 -0.51 -0.23 0.00 0.00 178.00 178.34 1hjk s LEU 80 N -8.19 4.03 0.05 1.56 2.01 -1.18 -5.03 118.68 111.94 1hjk s LEU 80 Ca -0.04 0.02 0.06 0.00 0.01 0.00 0.00 54.13 54.18 1hjk s LEU 80 Cb 0.13 -2.14 -0.02 0.00 0.01 0.00 0.00 46.19 44.16 1hjk s LEU 80 CO 0.77 -0.05 -0.16 0.42 1.01 0.00 0.00 176.35 178.34 1hjk s THR 81 N 1.73 1.27 0.00 5.49 -4.23 -1.26 -1.48 115.64 117.15 1hjk s THR 81 Ca 0.08 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1hjk s THR 81 Cb -0.16 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1hjk s THR 81 CO 0.10 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1hjk n GLY 82 N 1.70 4.59 3.13 3.99 0.00 0.67 -3.98 105.19 115.30 1hjk n GLY 82 Ca -0.19 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1hjk n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hjk s GLN 83 N 1.52 0.28 0.02 1.61 1.11 -0.66 -2.95 119.66 120.59 1hjk s GLN 83 Ca 0.00 0.55 0.05 0.00 0.01 0.00 0.00 55.36 55.97 1hjk s GLN 83 Cb 0.00 -0.02 -0.02 0.00 -1.01 0.00 0.00 33.01 31.96 1hjk s GLN 83 CO 0.00 -0.13 -0.15 1.52 0.01 0.00 0.00 175.29 176.54 1hjk s TYR 84 N 0.99 1.35 0.29 0.91 1.13 -0.37 -1.57 117.35 120.08 1hjk s TYR 84 Ca -0.07 -0.31 -0.22 0.00 -1.41 0.00 0.00 57.07 55.06 1hjk s TYR 84 Cb -0.08 -0.83 -0.09 0.00 -1.10 0.00 0.00 41.96 39.86 1hjk s TYR 84 CO -0.07 0.02 0.84 0.95 -2.51 0.00 0.00 175.55 174.78 1hjk s THR 85 N -0.63 4.40 -0.06 -3.49 -4.23 0.68 -2.96 115.64 109.36 1hjk s THR 85 Ca 0.04 1.52 0.18 0.00 -1.18 0.00 0.00 61.69 62.25 1hjk s THR 85 Cb -0.07 -3.89 0.36 0.00 1.34 0.00 0.00 72.50 70.24 1hjk s THR 85 CO 0.01 0.11 1.16 0.00 -0.54 0.00 0.00 174.62 175.35 1hjk n HIS 86 N 0.46 0.00 -1.74 3.99 1.44 -1.26 -1.62 115.22 116.49 1hjk n HIS 86 Ca 0.01 -0.70 -0.37 0.00 -2.01 0.00 0.00 57.72 54.65 1hjk n HIS 86 Cb 0.51 -0.16 0.07 0.00 0.12 0.00 0.00 29.99 30.53 1hjk n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1hjk s TYR 87 N -0.94 2.09 0.06 -1.40 -0.85 -1.26 -4.46 117.35 110.59 1hjk s TYR 87 Ca 0.30 1.49 0.01 0.00 -0.52 0.00 0.00 57.07 58.35 1hjk s TYR 87 Cb 0.33 -3.67 0.01 0.00 0.38 0.00 0.00 41.96 39.00 1hjk s TYR 87 CO -0.11 -2.87 0.07 0.00 -1.52 0.00 0.00 175.55 171.12 1hjk n ALA 88 N -1.94 0.12 -2.52 9.51 0.00 0.83 -4.90 120.51 121.60 1hjk n ALA 88 Ca 0.16 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1hjk n ALA 88 Cb 0.48 0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 1hjk n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hjk s LEU 89 N 0.00 2.34 -0.26 0.00 1.43 -0.52 0.38 118.68 122.04 1hjk s LEU 89 Ca 0.05 -0.73 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 1hjk s LEU 89 Cb -0.00 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.38 1hjk s LEU 89 CO 0.03 0.02 0.99 0.21 0.23 0.00 0.00 176.35 177.84 1hjk s ASN 90 N -2.11 6.97 0.26 2.29 3.84 0.29 -3.84 114.94 122.65 1hjk s ASN 90 Ca 0.08 1.18 -0.01 0.00 0.21 0.00 0.00 52.86 54.32 1hjk s ASN 90 Cb -0.09 -2.51 0.56 0.00 -0.55 0.00 0.00 41.25 38.66 1hjk s ASN 90 CO 0.05 -0.69 1.73 0.50 -2.79 0.00 0.00 177.10 175.90 1hjk h LYS 91 N 7.70 0.47 0.51 0.43 3.64 -1.92 0.32 116.57 127.72 1hjk h LYS 91 Ca -0.20 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1hjk h LYS 91 Cb 1.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1hjk h LYS 91 CO 0.97 0.31 -0.24 0.87 -2.27 0.00 0.00 179.45 179.09 1hjk h LYS 92 N 0.49 -0.66 -0.13 1.90 1.79 -1.95 -3.36 116.57 114.66 1hjk h LYS 92 Ca 0.47 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 1hjk h LYS 92 Cb 0.76 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1hjk h LYS 92 CO -0.43 -0.39 0.00 0.25 -1.08 0.00 0.00 179.45 177.80 1hjk n THR 93 N -5.35 0.17 -0.91 -0.16 -2.24 -1.05 -4.97 114.28 99.77 1hjk n THR 93 Ca -0.12 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1hjk n THR 93 Cb 0.30 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1hjk n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hjk n GLY 94 N 1.21 0.00 3.86 3.38 0.00 0.11 -4.95 105.19 108.80 1hjk n GLY 94 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1hjk n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hjk s LYS 95 N -1.81 3.85 0.35 1.61 1.02 -1.26 -4.76 119.74 118.74 1hjk s LYS 95 Ca 0.00 0.32 -0.26 0.00 0.02 0.00 0.00 55.97 56.04 1hjk s LYS 95 Cb 0.00 -2.80 -0.12 0.00 -0.52 0.00 0.00 37.83 34.38 1hjk s LYS 95 CO 0.00 0.41 1.02 -2.30 -0.92 0.00 0.00 175.35 173.56 1hjk n PRO 96 N 0.34 1.41 -3.98 -1.68 -0.02 -1.26 -0.55 135.00 129.26 1hjk n PRO 96 Ca -0.03 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 1hjk n PRO 96 Cb 0.52 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 1hjk n PRO 96 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1hjk s ASP 97 N -0.61 4.77 0.54 2.55 -1.08 0.16 -4.65 116.67 118.35 1hjk s ASP 97 Ca 0.60 -1.80 0.25 0.00 -0.52 0.00 0.00 52.55 51.08 1hjk s ASP 97 Cb -0.63 -1.65 1.43 0.00 -1.46 0.00 0.00 42.92 40.61 1hjk s ASP 97 CO 0.59 -0.34 2.03 1.88 0.52 0.00 0.00 175.17 179.85 1hjk h TYR 98 N 7.78 0.00 -3.52 -5.34 0.05 -1.93 0.24 116.97 114.24 1hjk h TYR 98 Ca -0.12 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.99 1hjk h TYR 98 Cb 1.04 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 38.45 1hjk h TYR 98 CO 0.55 0.00 -0.76 0.08 -1.05 0.00 0.00 178.16 176.98 1hjk s VAL 99 N -4.94 2.76 0.37 -2.88 1.01 -1.26 -4.55 120.40 110.90 1hjk s VAL 99 Ca -0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 1hjk s VAL 99 Cb 0.18 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1hjk s VAL 99 CO 0.68 0.19 0.62 0.28 0.00 0.00 0.00 175.10 176.87 1hjk s THR 100 N 1.30 5.02 0.00 3.92 -1.32 -1.26 -4.78 115.64 118.51 1hjk s THR 100 Ca -0.01 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1hjk s THR 100 Cb -0.17 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.00 1hjk s THR 100 CO -0.05 -0.56 0.00 -0.90 -2.21 0.00 0.00 174.62 170.90 1hjk n ASP 101 N -1.63 0.00 0.00 8.08 5.75 -1.26 -4.94 116.55 122.55 1hjk n ASP 101 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1hjk n ASP 101 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1hjk n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hjk n ALA 103 N -3.00 0.00 -0.19 2.12 0.00 -1.26 -2.63 120.51 115.56 1hjk n ALA 103 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1hjk n ALA 103 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1hjk n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjk h ALA 104 N 0.00 0.70 -0.30 0.00 0.00 -1.76 -1.33 119.26 116.56 1hjk h ALA 104 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1hjk h ALA 104 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1hjk h ALA 104 CO 0.00 0.34 0.14 0.66 0.00 0.00 0.00 179.25 180.39 1hjk h SER 105 N 0.73 0.40 0.11 0.00 4.64 -1.83 -2.66 113.55 114.94 1hjk h SER 105 Ca 0.17 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1hjk h SER 105 Cb 0.25 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1hjk h SER 105 CO -0.01 0.42 -0.19 0.00 -0.87 0.00 0.00 176.83 176.19 1hjk h ALA 106 N 0.99 -0.32 -0.86 5.18 0.00 -1.80 -2.29 119.26 120.17 1hjk h ALA 106 Ca 0.10 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1hjk h ALA 106 Cb 0.13 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.06 1hjk h ALA 106 CO -0.01 -0.71 -0.00 1.15 0.00 0.00 0.00 179.25 179.67 1hjk h THR 107 N -0.36 0.20 0.55 0.00 2.02 -1.16 -0.61 112.91 113.56 1hjk h THR 107 Ca 0.02 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1hjk h THR 107 Cb 0.38 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1hjk h THR 107 CO -0.10 0.01 -0.45 0.00 0.37 0.00 0.00 175.52 175.35 1hjk h ALA 108 N 1.83 -1.05 0.00 6.16 0.00 -1.05 0.20 119.26 125.35 1hjk h ALA 108 Ca 0.49 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1hjk h ALA 108 Cb 0.91 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1hjk h ALA 108 CO -0.79 -1.12 -0.23 0.11 0.00 0.00 0.00 179.25 177.22 1hjk h TRP 109 N -0.98 0.00 0.00 0.00 0.09 -1.19 0.17 115.95 114.05 1hjk h TRP 109 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.92 1hjk h TRP 109 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.07 1hjk h TRP 109 CO -0.18 0.23 -0.39 -1.13 0.09 0.00 0.00 178.44 177.06 1hjk n SER 110 N -4.24 0.70 0.00 0.11 3.41 -0.30 -3.41 113.62 109.90 1hjk n SER 110 Ca -0.02 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1hjk n SER 110 Cb 0.29 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1hjk n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1hjk n THR 111 N -2.10 0.00 0.00 6.66 -2.24 0.66 0.04 114.28 117.31 1hjk n THR 111 Ca 0.04 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1hjk n THR 111 Cb 0.43 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1hjk n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hjk n GLY 112 N 0.93 1.61 3.65 3.38 0.00 0.59 -4.91 105.19 110.44 1hjk n GLY 112 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1hjk n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hjk s VAL 113 N -2.38 3.87 0.67 1.61 0.11 -1.26 -4.84 120.40 118.18 1hjk s VAL 113 Ca 0.00 -0.89 -0.09 0.00 -2.93 0.00 0.00 61.98 58.07 1hjk s VAL 113 Cb 0.00 -2.77 0.02 0.00 -1.53 0.00 0.00 36.38 32.10 1hjk s VAL 113 CO 0.00 0.24 1.02 -0.54 -3.33 0.00 0.00 175.10 172.49 1hjk s LYS 114 N -1.92 2.71 0.37 1.54 -0.14 -1.26 -3.77 119.74 117.28 1hjk s LYS 114 Ca 0.22 0.17 -0.15 0.00 -1.36 0.00 0.00 55.97 54.85 1hjk s LYS 114 Cb -0.11 -2.12 0.05 0.00 -1.68 0.00 0.00 37.83 33.96 1hjk s LYS 114 CO 0.13 -0.99 0.76 -0.08 -0.76 0.00 0.00 175.35 174.41 1hjk s THR 115 N -3.24 0.00 0.40 2.17 -1.32 -1.26 -4.40 115.64 108.00 1hjk s THR 115 Ca 0.57 -1.05 -0.20 0.00 -1.21 0.00 0.00 61.69 59.80 1hjk s THR 115 Cb -0.11 -2.79 -0.11 0.00 -1.51 0.00 0.00 72.50 67.98 1hjk s THR 115 CO 0.48 0.00 0.90 -0.72 -2.21 0.00 0.00 174.62 173.07 1hjk s TYR 116 N -2.49 3.33 0.38 9.09 1.13 -1.25 -1.44 117.35 126.09 1hjk s TYR 116 Ca 0.16 1.52 -0.28 0.00 -1.41 0.00 0.00 57.07 57.07 1hjk s TYR 116 Cb -0.05 -2.78 -0.11 0.00 -1.10 0.00 0.00 41.96 37.92 1hjk s TYR 116 CO 0.12 -0.05 1.50 0.09 -2.51 0.00 0.00 175.55 174.70 1hjk n ASN 117 N -0.54 3.85 0.00 -0.18 3.02 -1.26 -1.69 115.26 118.46 1hjk n ASN 117 Ca 0.06 1.23 0.00 0.00 -0.03 0.00 0.00 54.58 55.84 1hjk n ASN 117 Cb 0.54 -1.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.08 1hjk n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hjk n GLY 118 N 0.49 1.84 3.86 7.41 0.00 -1.26 -4.90 105.19 112.63 1hjk n GLY 118 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1hjk n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk s ALA 119 N -2.41 3.22 -0.14 4.61 0.00 -0.68 -0.79 121.76 125.58 1hjk s ALA 119 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1hjk s ALA 119 Cb 0.00 -2.89 0.06 0.00 0.00 0.00 0.00 23.12 20.30 1hjk s ALA 119 CO 0.00 -0.13 0.15 -0.51 0.00 0.00 0.00 175.76 175.27 1hjk s LEU 120 N -4.00 0.03 0.00 0.00 1.43 -1.08 -3.31 118.68 111.75 1hjk s LEU 120 Ca 0.54 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1hjk s LEU 120 Cb -0.10 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.27 1hjk s LEU 120 CO 0.32 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1hjk n GLY 121 N 5.31 0.30 3.27 -3.19 0.00 -1.23 -1.03 105.19 108.62 1hjk n GLY 121 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1hjk n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hjk s VAL 122 N -1.69 1.25 0.00 1.61 -7.23 -1.26 -2.44 120.40 110.64 1hjk s VAL 122 Ca 0.00 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1hjk s VAL 122 Cb 0.00 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1hjk s VAL 122 CO 0.00 -0.72 0.00 -0.90 -0.31 0.00 0.00 175.10 173.17 1hjk n ASP 123 N -0.23 0.00 0.30 4.85 5.68 -0.77 -4.77 116.55 121.61 1hjk n ASP 123 Ca -0.10 -0.98 0.17 0.00 -0.50 0.00 0.00 54.79 53.38 1hjk n ASP 123 Cb 0.61 0.00 0.94 0.00 -1.14 0.00 0.00 41.12 41.52 1hjk n ASP 123 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1hjk h ILE 124 N -0.05 0.28 -0.08 2.12 3.07 -1.92 0.24 117.51 121.17 1hjk h ILE 124 Ca 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.17 1hjk h ILE 124 Cb 0.00 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 1hjk h ILE 124 CO 0.00 0.04 0.00 1.41 -1.05 0.00 0.00 178.15 178.55 1hjk n HIS 125 N -3.41 0.10 -2.07 0.16 8.25 -1.26 -4.88 115.22 112.12 1hjk n HIS 125 Ca -0.02 -0.05 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 1hjk n HIS 125 Cb 0.16 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 1hjk n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1hjk n GLU 126 N -0.12 -1.00 -3.42 -0.41 1.02 0.85 -4.99 120.64 112.56 1hjk n GLU 126 Ca 0.17 0.69 -0.37 0.00 -0.02 0.00 0.00 57.16 57.62 1hjk n GLU 126 Cb 0.24 -4.87 -0.07 0.00 -0.02 0.00 0.00 31.44 26.73 1hjk n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1hjk s LYS 127 N -4.33 4.28 0.79 3.49 2.20 -1.26 -4.75 119.74 120.16 1hjk s LYS 127 Ca 0.00 0.26 -0.13 0.00 -0.36 0.00 0.00 55.97 55.74 1hjk s LYS 127 Cb 0.00 -3.45 0.08 0.00 -1.51 0.00 0.00 37.83 32.94 1hjk s LYS 127 CO 0.00 0.15 1.17 -0.51 -0.36 0.00 0.00 175.35 175.80 1hjk s ASP 128 N 0.64 3.83 -0.14 1.43 1.11 -1.26 -1.85 116.67 120.43 1hjk s ASP 128 Ca 0.21 2.22 -0.13 0.00 0.18 0.00 0.00 52.55 55.03 1hjk s ASP 128 Cb -0.14 -2.57 0.04 0.00 1.07 0.00 0.00 42.92 41.32 1hjk s ASP 128 CO 0.07 -2.50 0.38 -1.00 1.18 0.00 0.00 175.17 173.30 1hjk s HIS 129 N -2.33 -0.43 0.11 4.23 3.76 -1.02 -4.88 115.29 114.73 1hjk s HIS 129 Ca 0.70 1.04 -0.30 0.00 -0.15 0.00 0.00 55.06 56.34 1hjk s HIS 129 Cb -0.25 0.15 -0.07 0.00 1.11 0.00 0.00 32.58 33.52 1hjk s HIS 129 CO 0.51 -0.21 1.20 -1.25 -0.85 0.00 0.00 174.74 174.13 1hjk s PRO 130 N 0.32 4.46 0.40 8.40 0.04 -1.26 -4.80 135.00 142.56 1hjk s PRO 130 Ca -0.01 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 1hjk s PRO 130 Cb -0.03 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 1hjk s PRO 130 CO -0.01 -0.18 0.98 0.95 0.04 0.00 0.00 177.00 178.78 1hjk s THR 131 N 0.58 4.14 0.36 1.26 -4.23 -1.26 -4.53 115.64 111.96 1hjk s THR 131 Ca 0.56 1.51 0.14 0.00 -1.18 0.00 0.00 61.69 62.72 1hjk s THR 131 Cb -0.31 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 70.17 1hjk s THR 131 CO 0.32 -0.11 1.76 -0.29 -0.54 0.00 0.00 174.62 175.76 1hjk h ILE 132 N 2.13 0.56 0.13 2.99 6.09 -0.72 0.10 117.51 128.79 1hjk h ILE 132 Ca -0.48 -0.17 -0.01 0.00 -1.37 0.00 0.00 64.86 62.83 1hjk h ILE 132 Cb 1.19 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.49 1hjk h ILE 132 CO 0.62 0.09 -0.06 0.25 -3.07 0.00 0.00 178.15 175.98 1hjk h LEU 133 N 0.51 -0.15 -1.08 2.19 6.46 -1.84 0.42 115.31 121.82 1hjk h LEU 133 Ca 0.60 -0.04 0.14 0.00 -0.12 0.00 0.00 57.88 58.46 1hjk h LEU 133 Cb 1.31 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 41.20 1hjk h LEU 133 CO -0.36 -0.05 0.62 -0.33 -0.62 0.00 0.00 178.44 177.69 1hjk h GLU 134 N -0.23 0.86 -0.13 1.25 5.08 -1.06 -1.04 114.58 119.32 1hjk h GLU 134 Ca -0.02 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 1hjk h GLU 134 Cb 0.18 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1hjk h GLU 134 CO 0.03 0.57 -0.71 0.52 -1.00 0.00 0.00 179.01 178.42 1hjk h MET 135 N 0.89 0.56 -0.14 2.33 2.86 -0.25 -1.54 114.93 119.63 1hjk h MET 135 Ca 0.50 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1hjk h MET 135 Cb 0.61 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1hjk h MET 135 CO -0.27 1.06 0.08 0.00 1.06 0.00 0.00 176.91 178.84 1hjk h ALA 136 N 0.82 0.17 0.42 6.32 0.00 0.52 -1.19 119.26 126.32 1hjk h ALA 136 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hjk h ALA 136 Cb 1.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1hjk h ALA 136 CO 0.13 -0.36 -0.26 -0.22 0.00 0.00 0.00 179.25 178.55 1hjk h LYS 137 N 0.17 -0.62 -0.73 0.00 3.64 -1.06 0.24 116.57 118.21 1hjk h LYS 137 Ca 0.06 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.61 1hjk h LYS 137 Cb 0.00 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.87 1hjk h LYS 137 CO -0.03 -0.41 0.28 0.00 -2.27 0.00 0.00 179.45 177.02 1hjk h ALA 138 N -0.10 1.00 0.00 5.00 0.00 -1.23 0.38 119.26 124.31 1hjk h ALA 138 Ca -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1hjk h ALA 138 Cb 0.53 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1hjk h ALA 138 CO 0.05 -0.21 -0.25 0.00 0.00 0.00 0.00 179.25 178.84 1hjk h ALA 139 N 1.52 1.45 0.00 0.00 0.00 0.06 -3.46 119.26 118.84 1hjk h ALA 139 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hjk h ALA 139 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1hjk h ALA 139 CO -0.39 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1hjk n GLY 140 N -0.67 1.26 3.89 0.00 0.00 0.13 -5.09 105.19 104.71 1hjk n GLY 140 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1hjk n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hjk s LEU 141 N 0.00 3.49 0.60 0.99 1.43 -0.68 -4.83 118.68 119.67 1hjk s LEU 141 Ca 0.00 1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 54.13 1hjk s LEU 141 Cb 0.00 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 1hjk s LEU 141 CO 0.00 -0.68 1.03 0.00 0.23 0.00 0.00 176.35 176.93 1hjk s ALA 142 N -2.88 2.87 -0.02 4.21 0.00 -0.49 -4.25 121.76 121.21 1hjk s ALA 142 Ca 0.51 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1hjk s ALA 142 Cb -0.11 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1hjk s ALA 142 CO 0.47 -0.74 -0.01 0.95 0.00 0.00 0.00 175.76 176.42 1hjk s THR 143 N -2.77 0.21 -0.02 0.00 -4.23 -1.25 0.33 115.64 107.90 1hjk s THR 143 Ca 0.60 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.13 1hjk s THR 143 Cb -0.13 -0.25 -0.00 0.00 1.34 0.00 0.00 72.50 73.46 1hjk s THR 143 CO 0.43 0.11 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.67 1hjk s GLY 144 N 0.53 0.65 -0.21 3.99 0.00 0.26 -1.98 107.32 110.56 1hjk s GLY 144 Ca -0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 44.72 44.16 1hjk s GLY 144 CO -0.01 -0.31 -0.03 0.21 0.00 0.00 0.00 173.10 172.96 1hjk s ASN 145 N -0.06 3.43 -0.04 1.64 3.84 -0.38 -0.55 114.94 122.82 1hjk s ASN 145 Ca 0.00 -1.00 0.03 0.00 0.21 0.00 0.00 52.86 52.11 1hjk s ASN 145 Cb -0.07 -0.98 0.00 0.00 -0.55 0.00 0.00 41.25 39.65 1hjk s ASN 145 CO 0.00 -0.25 -0.13 -0.69 -2.79 0.00 0.00 177.10 173.25 1hjk s VAL 146 N 1.56 1.11 0.20 -5.21 1.01 -0.26 -1.73 120.40 117.07 1hjk s VAL 146 Ca -0.03 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1hjk s VAL 146 Cb -0.18 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1hjk s VAL 146 CO -0.07 0.33 0.51 -0.55 0.00 0.00 0.00 175.10 175.33 1hjk s SER 147 N 0.16 -0.24 0.00 3.32 0.15 -0.06 -0.17 113.70 116.86 1hjk s SER 147 Ca -0.04 -0.52 0.15 0.00 0.70 0.00 0.00 55.95 56.24 1hjk s SER 147 Cb -0.10 0.58 0.30 0.00 -1.71 0.00 0.00 66.02 65.08 1hjk s SER 147 CO 0.01 -1.06 1.20 0.35 1.20 0.00 0.00 173.24 174.95 1hjk n THR 148 N -0.34 0.57 -3.09 6.45 -2.24 -1.05 -3.97 114.28 110.62 1hjk n THR 148 Ca -0.09 -0.78 -0.10 0.00 -2.27 0.00 0.00 64.05 60.80 1hjk n THR 148 Cb 0.62 0.85 0.03 0.00 -2.10 0.00 0.00 70.33 69.74 1hjk n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hjk n ALA 149 N 0.90 0.59 -1.76 6.98 0.00 -1.26 -2.32 120.51 123.64 1hjk n ALA 149 Ca 0.13 -1.04 -0.40 0.00 0.00 0.00 0.00 53.44 52.13 1hjk n ALA 149 Cb 0.45 0.30 -0.05 0.00 0.00 0.00 0.00 19.45 20.15 1hjk n ALA 149 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hjk s GLU 150 N -3.28 4.72 0.63 0.00 2.02 -1.26 -1.85 118.70 119.68 1hjk s GLU 150 Ca 0.29 1.66 0.35 0.00 0.02 0.00 0.00 54.97 57.29 1hjk s GLU 150 Cb -0.02 -3.21 2.04 0.00 0.10 0.00 0.00 34.13 33.04 1hjk s GLU 150 CO 0.18 0.34 2.27 -0.07 0.02 0.00 0.00 175.26 177.99 1hjk h LEU 151 N 3.91 0.00 -0.27 1.80 3.38 -1.81 0.10 115.31 122.43 1hjk h LEU 151 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1hjk h LEU 151 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1hjk h LEU 151 CO 0.67 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1hjk n GLN 152 N -3.49 1.18 -1.63 1.13 3.00 -1.26 -3.53 117.38 112.78 1hjk n GLN 152 Ca -0.02 -0.27 -0.31 0.00 -0.01 0.00 0.00 57.00 56.38 1hjk n GLN 152 Cb 0.12 -1.30 0.05 0.00 0.00 0.00 0.00 30.24 29.12 1hjk n GLN 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1hjk s ASP 153 N -1.53 5.33 0.24 1.08 2.15 0.36 -4.74 116.67 119.55 1hjk s ASP 153 Ca 0.27 1.70 -0.06 0.00 0.43 0.00 0.00 52.55 54.89 1hjk s ASP 153 Cb 0.13 -2.51 0.42 0.00 -0.30 0.00 0.00 42.92 40.67 1hjk s ASP 153 CO 0.21 -1.48 1.70 0.00 -0.17 0.00 0.00 175.17 175.43 1hjk h ALA 154 N -0.53 0.92 0.26 3.66 0.00 -1.91 -0.74 119.26 120.93 1hjk h ALA 154 Ca -0.44 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1hjk h ALA 154 Cb 1.22 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1hjk h ALA 154 CO 0.56 -0.30 -0.13 1.15 0.00 0.00 0.00 179.25 180.53 1hjk h THR 155 N 0.31 0.77 -0.02 0.00 2.02 -1.93 -0.29 112.91 113.76 1hjk h THR 155 Ca 0.39 -0.22 -0.20 0.00 0.77 0.00 0.00 66.41 67.15 1hjk h THR 155 Cb 0.64 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1hjk h THR 155 CO -0.46 0.05 -0.76 1.55 0.37 0.00 0.00 175.52 176.26 1hjk h PRO 156 N -0.47 0.56 -0.95 6.66 0.13 -1.82 -3.33 132.00 132.78 1hjk h PRO 156 Ca -0.04 -0.57 0.11 0.00 -0.87 0.00 0.00 66.00 64.64 1hjk h PRO 156 Cb 0.35 0.15 -0.08 0.00 0.13 0.00 0.00 31.00 31.55 1hjk h PRO 156 CO 0.06 1.19 0.58 0.00 -0.23 0.00 0.00 178.00 179.60 1hjk h ALA 157 N 0.38 1.41 0.00 -0.56 0.00 -1.15 -1.66 119.26 117.68 1hjk h ALA 157 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hjk h ALA 157 Cb 1.44 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1hjk h ALA 157 CO 0.15 0.19 0.19 0.00 0.00 0.00 0.00 179.25 179.78 1hjk h ALA 158 N 1.51 1.14 0.00 0.00 0.00 -1.15 0.17 119.26 120.93 1hjk h ALA 158 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 1hjk h ALA 158 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1hjk h ALA 158 CO -0.26 -0.14 -0.81 -0.07 0.00 0.00 0.00 179.25 177.98 1hjk h LEU 159 N 0.00 0.00 0.00 0.00 3.38 -1.50 -3.38 115.31 113.81 1hjk h LEU 159 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1hjk h LEU 159 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1hjk h LEU 159 CO 0.00 0.53 -1.19 0.52 0.09 0.00 0.00 178.44 178.38 1hjk n VAL 160 N -3.11 0.12 -4.27 1.22 0.31 -0.32 -4.42 118.33 107.86 1hjk n VAL 160 Ca -0.02 -0.11 -0.26 0.00 -0.01 0.00 0.00 64.34 63.95 1hjk n VAL 160 Cb 0.77 -0.27 -0.08 0.00 -0.91 0.00 0.00 33.84 33.35 1hjk n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hjk s ALA 161 N -2.16 3.08 -0.33 3.52 0.00 0.44 -4.67 121.76 121.63 1hjk s ALA 161 Ca -0.01 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.44 1hjk s ALA 161 Cb 0.02 -0.82 0.12 0.00 0.00 0.00 0.00 23.12 22.44 1hjk s ALA 161 CO 0.14 0.42 0.16 -1.01 0.00 0.00 0.00 175.76 175.47 1hjk s HIS 162 N -1.88 0.87 0.14 0.00 0.09 -1.25 -3.56 115.29 109.70 1hjk s HIS 162 Ca 0.27 -1.45 0.03 0.00 -0.00 0.00 0.00 55.06 53.92 1hjk s HIS 162 Cb -0.08 -1.14 -0.04 0.00 -0.00 0.00 0.00 32.58 31.31 1hjk s HIS 162 CO 0.17 -0.83 -0.07 0.14 -0.00 0.00 0.00 174.74 174.15 1hjk s VAL 163 N 1.47 0.95 -0.74 -0.90 -7.23 -0.19 -4.96 120.40 108.80 1hjk s VAL 163 Ca 0.13 -2.01 0.26 0.00 -1.81 0.00 0.00 61.98 58.55 1hjk s VAL 163 Cb -0.20 -1.85 0.28 0.00 0.56 0.00 0.00 36.38 35.17 1hjk s VAL 163 CO -0.17 -0.73 1.78 0.35 -0.31 0.00 0.00 175.10 176.01 1hjk n THR 164 N -0.16 0.57 -3.72 5.32 -2.24 -1.26 -2.64 114.28 110.15 1hjk n THR 164 Ca -0.10 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1hjk n THR 164 Cb 0.61 -0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 68.08 1hjk n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hjk s SER 165 N -4.39 -0.10 0.54 3.42 0.15 -1.26 -4.36 113.70 107.71 1hjk s SER 165 Ca 0.10 0.49 0.31 0.00 0.70 0.00 0.00 55.95 57.55 1hjk s SER 165 Cb 0.13 0.41 1.48 0.00 -1.71 0.00 0.00 66.02 66.32 1hjk s SER 165 CO 0.57 -0.18 1.90 0.08 1.20 0.00 0.00 173.24 176.82 1hjk h ARG 166 N 7.42 0.00 0.00 5.44 0.11 -1.27 -1.72 114.38 124.36 1hjk h ARG 166 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1hjk h ARG 166 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1hjk h ARG 166 CO 0.34 0.00 0.00 0.87 0.10 0.00 0.00 179.97 181.28 1hjk h LYS 167 N 0.00 0.00 -3.31 0.08 1.57 -1.94 -3.34 116.57 109.63 1hjk h LYS 167 Ca 0.40 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.49 1hjk h LYS 167 Cb 1.63 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.92 1hjk h LYS 167 CO -0.00 0.00 3.37 0.00 -0.57 0.00 0.00 179.45 182.24 1hjk h TYR 169 N 5.33 0.81 -3.26 0.00 -1.99 -1.87 -1.14 116.97 114.85 1hjk h TYR 169 Ca 0.73 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 61.37 1hjk h TYR 169 Cb 0.42 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 1hjk h TYR 169 CO 1.68 0.44 0.11 0.41 -0.00 0.00 0.00 178.16 180.80 1hjk n GLY 170 N -1.29 1.49 0.10 3.88 0.00 -1.26 -1.08 105.19 107.02 1hjk n GLY 170 Ca 0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 1hjk n GLY 170 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hjk n PRO 171 N -0.50 -0.08 0.02 1.61 -0.02 -1.26 -1.36 135.00 133.40 1hjk n PRO 171 Ca -0.05 0.37 -0.18 0.00 -2.02 0.00 0.00 63.50 61.62 1hjk n PRO 171 Cb 0.54 -0.55 -0.13 0.00 -0.02 0.00 0.00 33.50 33.34 1hjk n PRO 171 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1hjk h SER 172 N 0.00 0.38 -0.54 2.55 4.64 -1.98 -2.90 113.55 115.70 1hjk h SER 172 Ca 0.06 -0.91 0.05 0.00 -0.47 0.00 0.00 61.79 60.53 1hjk h SER 172 Cb 0.13 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 1hjk h SER 172 CO -0.24 1.25 0.27 0.00 -0.87 0.00 0.00 176.83 177.25 1hjk h ALA 173 N 0.13 0.70 0.03 5.18 0.00 -1.72 -2.71 119.26 120.87 1hjk h ALA 173 Ca -0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1hjk h ALA 173 Cb 1.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1hjk h ALA 173 CO 0.11 -0.08 -0.06 1.15 0.00 0.00 0.00 179.25 180.37 1hjk h THR 174 N 0.52 0.85 -0.78 0.00 2.02 -1.32 0.97 112.91 115.17 1hjk h THR 174 Ca 0.24 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.58 1hjk h THR 174 Cb 0.16 0.85 -0.10 0.00 -1.74 0.00 0.00 68.15 67.31 1hjk h THR 174 CO -0.17 0.00 0.30 0.28 0.37 0.00 0.00 175.52 176.29 1hjk h SER 175 N -0.13 0.24 0.29 4.18 0.02 -1.34 1.68 113.55 118.49 1hjk h SER 175 Ca 0.01 0.12 -0.34 0.00 -0.84 0.00 0.00 61.79 60.75 1hjk h SER 175 Cb 0.14 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1hjk h SER 175 CO -0.04 0.06 -1.70 1.05 -1.14 0.00 0.00 176.83 175.06 1hjk h GLU 176 N 0.41 0.32 0.00 3.45 4.11 -1.07 -3.33 114.58 118.47 1hjk h GLU 176 Ca 0.44 -0.55 -0.21 0.00 0.07 0.00 0.00 59.36 59.11 1hjk h GLU 176 Cb 0.73 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1hjk h GLU 176 CO -0.45 1.21 -1.86 1.63 0.07 0.00 0.00 179.01 179.61 1hjk n LYS 177 N -3.52 0.65 -3.31 1.06 4.76 0.33 -4.54 118.16 113.59 1hjk n LYS 177 Ca -0.22 0.08 -0.25 0.00 -2.87 0.00 0.00 58.31 55.04 1hjk n LYS 177 Cb 1.06 -1.66 -0.08 0.00 -1.84 0.00 0.00 35.03 32.51 1hjk n LYS 177 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hjk h PRO 179 N 4.20 0.01 0.00 0.00 0.11 -1.63 -0.56 132.00 134.13 1hjk h PRO 179 Ca 0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1hjk h PRO 179 Cb 0.79 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1hjk h PRO 179 CO 0.61 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 1hjk n GLY 180 N -1.12 -0.17 0.00 -0.55 0.00 -1.26 0.27 105.19 102.37 1hjk n GLY 180 Ca -0.06 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1hjk n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hjk n ASN 181 N -0.94 3.26 -4.71 1.61 5.03 -0.72 -4.52 115.26 114.27 1hjk n ASN 181 Ca 0.04 -0.16 -0.42 0.00 0.87 0.00 0.00 54.58 54.91 1hjk n ASN 181 Cb 0.02 1.06 -0.03 0.00 -1.02 0.00 0.00 39.78 39.81 1hjk n ASN 181 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1hjk n ALA 182 N -1.41 2.73 0.01 5.41 0.00 0.14 0.12 120.51 127.51 1hjk n ALA 182 Ca -0.00 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 1hjk n ALA 182 Cb 0.04 -2.55 -0.08 0.00 0.00 0.00 0.00 19.45 16.87 1hjk n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hjk h LEU 183 N 7.24 -1.47 -2.15 0.00 5.85 -1.86 1.38 115.31 124.30 1hjk h LEU 183 Ca -0.44 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1hjk h LEU 183 Cb 1.20 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1hjk h LEU 183 CO 0.96 -0.46 0.17 1.05 -0.34 0.00 0.00 178.44 179.82 1hjk h GLU 184 N -0.55 0.00 -0.67 1.25 9.09 -1.88 1.53 114.58 123.35 1hjk h GLU 184 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 1hjk h GLU 184 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 1hjk h GLU 184 CO -0.40 0.00 0.00 1.17 0.05 0.00 0.00 179.01 179.83 1hjk n LYS 185 N -4.10 2.65 -1.33 1.06 4.81 -0.26 -4.87 118.16 116.12 1hjk n LYS 185 Ca 0.02 -1.52 -0.10 0.00 -0.87 0.00 0.00 58.31 55.84 1hjk n LYS 185 Cb 0.31 -1.71 -0.04 0.00 0.02 0.00 0.00 35.03 33.60 1hjk n LYS 185 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hjk n GLY 186 N 0.55 1.05 3.95 3.14 0.00 0.52 -4.84 105.19 109.56 1hjk n GLY 186 Ca 0.14 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1hjk n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hjk s GLY 187 N -2.88 1.78 0.37 -0.02 0.00 0.46 -4.91 107.32 102.12 1hjk s GLY 187 Ca 0.00 -1.37 0.26 0.00 0.00 0.00 0.00 44.72 43.61 1hjk s GLY 187 CO 0.00 -0.65 1.74 0.50 0.00 0.00 0.00 173.10 174.69 1hjk h LYS 188 N -1.32 0.00 0.00 2.90 1.57 -1.77 -3.36 116.57 114.59 1hjk h LYS 188 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1hjk h LYS 188 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1hjk h LYS 188 CO 0.39 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.68 1hjk n GLY 189 N 0.82 0.79 3.73 3.86 0.00 0.32 -4.62 105.19 110.09 1hjk n GLY 189 Ca 0.04 -2.28 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 1hjk n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hjk s SER 190 N 0.00 2.95 0.12 1.61 1.04 -1.26 -4.69 113.70 113.47 1hjk s SER 190 Ca 0.00 1.02 -0.17 0.00 0.48 0.00 0.00 55.95 57.28 1hjk s SER 190 Cb 0.00 -1.61 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 1hjk s SER 190 CO 0.00 -2.90 1.71 0.40 0.98 0.00 0.00 173.24 173.42 1hjk h ILE 191 N -1.74 1.15 -0.42 -1.02 2.04 -1.20 0.30 117.51 116.62 1hjk h ILE 191 Ca -0.52 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1hjk h ILE 191 Cb 1.33 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1hjk h ILE 191 CO 0.59 0.16 0.20 0.74 0.00 0.00 0.00 178.15 179.83 1hjk h THR 192 N 0.39 1.18 -0.38 -0.27 2.02 -1.35 0.31 112.91 114.82 1hjk h THR 192 Ca 0.11 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 1hjk h THR 192 Cb 0.11 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1hjk h THR 192 CO -0.02 0.20 -0.13 -0.33 0.37 0.00 0.00 175.52 175.61 1hjk h GLU 193 N 0.54 0.67 0.00 6.66 5.08 -1.73 -1.34 114.58 124.45 1hjk h GLU 193 Ca 0.14 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1hjk h GLU 193 Cb 0.13 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1hjk h GLU 193 CO -0.02 0.78 -0.15 1.96 -1.00 0.00 0.00 179.01 180.58 1hjk h GLN 194 N 0.61 0.00 -0.12 2.33 4.20 -0.05 -1.97 115.11 120.11 1hjk h GLN 194 Ca 0.10 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 1hjk h GLN 194 Cb 0.58 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1hjk h GLN 194 CO 0.04 0.15 -0.56 1.25 -0.67 0.00 0.00 178.83 179.05 1hjk h LEU 195 N 0.00 0.70 -1.71 1.46 6.46 -0.23 -0.95 115.31 121.05 1hjk h LEU 195 Ca -0.00 -0.63 -0.04 0.00 -0.12 0.00 0.00 57.88 57.09 1hjk h LEU 195 Cb 0.72 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1hjk h LEU 195 CO 0.02 1.22 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.81 1hjk h LEU 196 N 0.23 0.00 0.17 2.25 3.38 -0.90 -2.80 115.31 117.65 1hjk h LEU 196 Ca -0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 1hjk h LEU 196 Cb 1.19 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.97 1hjk h LEU 196 CO 0.12 0.18 -1.19 0.78 0.09 0.00 0.00 178.44 178.42 1hjk h ASN 197 N 0.00 0.75 0.45 -0.43 2.35 -1.04 -3.30 115.58 114.37 1hjk h ASN 197 Ca -0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.86 1hjk h ASN 197 Cb 0.39 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1hjk h ASN 197 CO 0.02 1.58 0.00 0.00 -1.65 0.00 0.00 177.43 177.38 1hjk h ALA 198 N 0.19 1.00 -6.45 -0.83 0.00 -0.90 -3.47 119.26 108.80 1hjk h ALA 198 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.31 1hjk h ALA 198 Cb 1.91 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.71 1hjk h ALA 198 CO 0.23 0.00 -1.16 0.54 0.00 0.00 0.00 179.25 178.86 1hjk n ARG 199 N -2.36 -1.78 -3.22 0.00 1.74 -1.22 -4.95 116.66 104.88 1hjk n ARG 199 Ca 0.00 1.23 -0.36 0.00 -0.77 0.00 0.00 57.85 57.95 1hjk n ARG 199 Cb 0.16 -1.95 -0.06 0.00 -1.02 0.00 0.00 32.46 29.59 1hjk n ARG 199 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hjk s ALA 200 N -1.70 3.50 0.14 7.54 0.00 -1.26 -4.97 121.76 125.01 1hjk s ALA 200 Ca 0.30 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 1hjk s ALA 200 Cb -0.03 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1hjk s ALA 200 CO 0.85 0.38 1.66 -0.44 0.00 0.00 0.00 175.76 178.21 1hjk h ASP 201 N 3.66 -0.54 -3.20 0.00 3.32 -1.77 -3.41 116.42 114.49 1hjk h ASP 201 Ca -0.48 0.10 -0.65 0.00 0.02 0.00 0.00 57.03 56.02 1hjk h ASP 201 Cb 1.20 0.26 -0.36 0.00 0.22 0.00 0.00 39.33 40.65 1hjk h ASP 201 CO 0.65 -0.21 -0.84 -0.69 -1.72 0.00 0.00 179.24 176.42 1hjk s VAL 202 N -6.14 1.96 -0.12 -1.35 1.01 -0.83 -0.16 120.40 114.77 1hjk s VAL 202 Ca -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1hjk s VAL 202 Cb 0.11 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1hjk s VAL 202 CO 0.68 0.43 -0.11 -0.89 0.00 0.00 0.00 175.10 175.21 1hjk s THR 203 N 1.31 1.24 -0.04 3.92 2.01 -0.91 -1.25 115.64 121.92 1hjk s THR 203 Ca 0.03 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1hjk s THR 203 Cb -0.14 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.21 1hjk s THR 203 CO -0.11 0.40 0.07 -0.76 -0.69 0.00 0.00 174.62 173.52 1hjk s LEU 204 N 1.44 0.73 0.00 4.42 1.43 -0.71 -1.05 118.68 124.94 1hjk s LEU 204 Ca 0.01 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1hjk s LEU 204 Cb -0.13 0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.10 1hjk s LEU 204 CO -0.07 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1hjk n GLY 205 N 4.51 -0.97 0.00 -3.19 0.00 -0.45 -0.89 105.19 104.20 1hjk n GLY 205 Ca -0.21 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1hjk n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hjk n GLY 206 N 0.00 1.55 1.50 -0.02 0.00 -0.77 -0.76 105.19 106.68 1hjk n GLY 206 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1hjk n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hjk n GLY 207 N 5.00 0.77 0.19 -0.02 0.00 0.66 -2.70 105.19 109.08 1hjk n GLY 207 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.42 1hjk n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk h ALA 208 N 0.00 0.89 -0.70 4.61 0.00 -0.46 -3.23 119.26 120.37 1hjk h ALA 208 Ca 0.00 -0.30 0.14 0.00 0.00 0.00 0.00 54.91 54.75 1hjk h ALA 208 Cb 0.72 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1hjk h ALA 208 CO 0.00 0.41 0.16 -0.22 0.00 0.00 0.00 179.25 179.61 1hjk h LYS 209 N 0.00 0.26 0.00 0.00 3.64 -1.64 -1.43 116.57 117.40 1hjk h LYS 209 Ca -0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1hjk h LYS 209 Cb 1.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1hjk h LYS 209 CO 0.04 0.18 -0.40 1.15 -2.27 0.00 0.00 179.45 178.15 1hjk h THR 210 N 0.27 1.22 0.00 1.00 2.02 -1.82 -1.76 112.91 113.84 1hjk h THR 210 Ca 0.38 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1hjk h THR 210 Cb 0.63 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1hjk h THR 210 CO -0.48 0.39 0.00 0.49 0.37 0.00 0.00 175.52 176.29 1hjk n PHE 211 N -3.98 0.00 0.77 3.16 3.72 -0.54 -1.92 117.46 118.67 1hjk n PHE 211 Ca -0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.44 1hjk n PHE 211 Cb 0.44 -0.39 0.16 0.00 -0.94 0.00 0.00 39.48 38.75 1hjk n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hjk n ALA 212 N -1.39 2.53 -2.20 4.37 0.00 -0.66 0.69 120.51 123.85 1hjk n ALA 212 Ca 0.02 -0.66 -0.20 0.00 0.00 0.00 0.00 53.44 52.60 1hjk n ALA 212 Cb 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.54 1hjk n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hjk s GLU 213 N -1.56 2.89 0.13 0.00 2.02 -0.81 -4.85 118.70 116.52 1hjk s GLU 213 Ca 0.24 -0.88 0.10 0.00 0.02 0.00 0.00 54.97 54.46 1hjk s GLU 213 Cb 0.13 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1hjk s GLU 213 CO 0.15 -0.29 -0.24 0.99 0.02 0.00 0.00 175.26 175.89 1hjk s THR 214 N -2.46 2.42 0.52 3.63 2.01 -1.26 -0.36 115.64 120.14 1hjk s THR 214 Ca 0.51 -1.70 -0.20 0.00 0.31 0.00 0.00 61.69 60.61 1hjk s THR 214 Cb -0.10 -2.09 -0.07 0.00 0.01 0.00 0.00 72.50 70.25 1hjk s THR 214 CO 0.35 0.08 1.10 0.00 -0.69 0.00 0.00 174.62 175.46 1hjk s ALA 215 N -1.11 2.78 -0.03 7.40 0.00 -0.95 -4.82 121.76 125.03 1hjk s ALA 215 Ca 0.15 0.76 0.22 0.00 0.00 0.00 0.00 51.96 53.09 1hjk s ALA 215 Cb -0.10 -3.32 -0.34 0.00 0.00 0.00 0.00 23.12 19.36 1hjk s ALA 215 CO 0.07 -0.60 0.47 0.25 0.00 0.00 0.00 175.76 175.96 1hjk n THR 216 N -1.12 0.03 -3.78 0.00 -2.24 -1.26 -1.01 114.28 104.90 1hjk n THR 216 Ca 0.10 -0.51 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 1hjk n THR 216 Cb 0.51 -0.01 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1hjk n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hjk n ALA 217 N -2.27 0.01 -0.88 6.98 0.00 -1.26 -4.83 120.51 118.26 1hjk n ALA 217 Ca -0.05 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.34 1hjk n ALA 217 Cb 0.58 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 1hjk n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hjk n GLY 218 N -0.06 -2.44 0.33 0.00 0.00 -1.26 -3.06 105.19 98.69 1hjk n GLY 218 Ca 0.00 -1.25 0.19 0.00 0.00 0.00 0.00 46.02 44.96 1hjk n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hjk h GLU 219 N -0.85 0.32 -0.59 1.61 4.81 -2.02 0.23 114.58 118.09 1hjk h GLU 219 Ca -0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1hjk h GLU 219 Cb 0.83 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1hjk h GLU 219 CO 0.03 0.21 0.01 0.91 -0.73 0.00 0.00 179.01 179.45 1hjk n TRP 220 N -5.08 2.09 -0.75 0.92 8.01 -1.26 -5.00 117.44 116.37 1hjk n TRP 220 Ca 0.27 -0.74 -0.32 0.00 -1.31 0.00 0.00 57.50 55.40 1hjk n TRP 220 Cb 0.83 -0.52 0.14 0.00 -2.01 0.00 0.00 31.31 29.75 1hjk n TRP 220 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1hjk n GLN 221 N 0.59 -0.37 0.00 -0.99 10.64 0.80 -1.95 117.38 126.10 1hjk n GLN 221 Ca 0.28 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 1hjk n GLN 221 Cb 1.20 -2.03 0.00 0.00 -0.86 0.00 0.00 30.24 28.56 1hjk n GLN 221 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1hjk n GLY 222 N 1.10 1.65 3.49 2.61 0.00 -0.18 -4.84 105.19 109.03 1hjk n GLY 222 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1hjk n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hjk s LYS 223 N 0.00 1.77 1.07 1.61 -2.85 -0.83 -4.85 119.74 115.66 1hjk s LYS 223 Ca 0.00 -1.36 -0.12 0.00 -1.00 0.00 0.00 55.97 53.50 1hjk s LYS 223 Cb 0.00 -2.02 0.23 0.00 -2.06 0.00 0.00 37.83 33.98 1hjk s LYS 223 CO 0.00 0.43 1.07 0.95 0.10 0.00 0.00 175.35 177.90 1hjk s THR 224 N -1.56 2.08 0.16 3.79 -4.23 -1.26 -2.23 115.64 112.40 1hjk s THR 224 Ca 0.21 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.69 1hjk s THR 224 Cb -0.09 -2.11 -0.09 0.00 1.34 0.00 0.00 72.50 71.55 1hjk s THR 224 CO 0.12 -0.04 1.43 -0.07 -0.54 0.00 0.00 174.62 175.52 1hjk h LEU 225 N -2.32 0.71 -0.73 4.79 -0.00 -0.29 -1.83 115.31 115.64 1hjk h LEU 225 Ca -0.55 -0.42 0.05 0.00 -0.00 0.00 0.00 57.88 56.96 1hjk h LEU 225 Cb 1.31 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 41.71 1hjk h LEU 225 CO 0.48 1.17 0.43 -0.09 -0.00 0.00 0.00 178.44 180.43 1hjk h ARG 226 N 0.46 0.78 0.80 1.13 9.65 0.01 -1.69 114.38 125.52 1hjk h ARG 226 Ca -0.01 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1hjk h ARG 226 Cb 1.22 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 29.63 1hjk h ARG 226 CO 0.12 0.52 -0.39 0.93 2.80 0.00 0.00 179.97 183.96 1hjk h GLU 227 N 0.81 -1.04 -1.02 0.20 5.08 -1.77 -2.98 114.58 113.85 1hjk h GLU 227 Ca 0.31 0.07 0.25 0.00 -1.00 0.00 0.00 59.36 59.00 1hjk h GLU 227 Cb 0.14 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 1hjk h GLU 227 CO -0.16 -0.69 0.63 0.37 -1.00 0.00 0.00 179.01 178.16 1hjk h GLN 228 N -1.28 0.49 0.19 2.33 4.15 -1.30 0.60 115.11 120.29 1hjk h GLN 228 Ca -0.11 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 1hjk h GLN 228 Cb 0.83 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 1hjk h GLN 228 CO 0.18 0.33 -0.31 0.00 -1.93 0.00 0.00 178.83 177.10 1hjk h ALA 229 N 1.67 -0.91 -0.59 3.38 0.00 -1.19 1.23 119.26 122.85 1hjk h ALA 229 Ca 0.61 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.36 1hjk h ALA 229 Cb 1.33 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1hjk h ALA 229 CO -0.38 -0.96 0.09 -0.56 0.00 0.00 0.00 179.25 177.44 1hjk h GLN 230 N -0.53 0.96 0.00 0.00 3.07 -1.19 -0.77 115.11 116.65 1hjk h GLN 230 Ca -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 58.65 58.46 1hjk h GLN 230 Cb 0.49 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 27.93 1hjk h GLN 230 CO -0.10 0.90 -0.08 0.00 0.09 0.00 0.00 178.83 179.64 1hjk h ALA 231 N 1.18 1.60 -0.09 0.06 0.00 0.50 0.63 119.26 123.15 1hjk h ALA 231 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1hjk h ALA 231 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1hjk h ALA 231 CO 0.01 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.90 1hjk n ARG 232 N -4.05 1.39 -0.00 0.00 1.74 0.42 -4.88 116.66 111.28 1hjk n ARG 232 Ca -0.03 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.47 1hjk n ARG 232 Cb 0.16 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1hjk n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hjk n GLY 233 N 0.97 0.34 3.76 -0.13 0.00 0.21 -5.06 105.19 105.28 1hjk n GLY 233 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1hjk n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hjk s TYR 234 N -2.00 2.50 -0.29 1.61 2.02 -0.42 -4.31 117.35 116.46 1hjk s TYR 234 Ca 0.00 1.42 -0.07 0.00 -0.37 0.00 0.00 57.07 58.05 1hjk s TYR 234 Cb 0.00 -3.67 0.01 0.00 -0.40 0.00 0.00 41.96 37.90 1hjk s TYR 234 CO 0.00 -2.44 0.07 -1.14 -1.57 0.00 0.00 175.55 170.47 1hjk s GLN 235 N -2.78 3.08 -0.00 -0.62 0.74 0.19 -4.29 119.66 115.98 1hjk s GLN 235 Ca 0.68 -0.86 -0.11 0.00 0.05 0.00 0.00 55.36 55.12 1hjk s GLN 235 Cb -0.37 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.34 1hjk s GLN 235 CO 0.44 -0.44 0.33 -0.51 -0.55 0.00 0.00 175.29 174.57 1hjk s LEU 236 N 1.49 4.41 -0.07 3.68 1.02 -1.26 -0.55 118.68 127.41 1hjk s LEU 236 Ca 0.02 0.77 -0.00 0.00 0.02 0.00 0.00 54.13 54.94 1hjk s LEU 236 Cb -0.17 -2.59 0.02 0.00 0.02 0.00 0.00 46.19 43.48 1hjk s LEU 236 CO 0.02 0.30 -0.03 -0.69 0.02 0.00 0.00 176.35 175.97 1hjk s VAL 237 N -1.18 0.55 -0.11 -1.59 1.01 -0.12 -4.95 120.40 114.01 1hjk s VAL 237 Ca 0.25 -0.04 0.20 0.00 0.00 0.00 0.00 61.98 62.39 1hjk s VAL 237 Cb -0.15 -0.63 -0.28 0.00 0.00 0.00 0.00 36.38 35.33 1hjk s VAL 237 CO 0.13 0.27 0.36 -1.54 0.00 0.00 0.00 175.10 174.32 1hjk n SER 238 N 4.69 0.11 -4.38 3.32 3.41 -1.26 -1.80 113.62 117.70 1hjk n SER 238 Ca -0.15 0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.24 1hjk n SER 238 Cb 0.50 1.38 -0.09 0.00 -0.26 0.00 0.00 64.21 65.75 1hjk n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1hjk s ASP 239 N -5.05 3.17 0.16 4.04 -4.77 -1.26 -4.33 116.67 108.62 1hjk s ASP 239 Ca -0.08 -1.60 -0.06 0.00 -3.30 0.00 0.00 52.55 47.50 1hjk s ASP 239 Cb 0.10 0.36 0.01 0.00 -1.09 0.00 0.00 42.92 42.29 1hjk s ASP 239 CO 0.87 -0.83 1.43 0.00 0.70 0.00 0.00 175.17 177.34 1hjk h ALA 240 N 1.72 0.55 -0.82 2.11 0.00 -1.57 -1.97 119.26 119.28 1hjk h ALA 240 Ca -0.39 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.04 1hjk h ALA 240 Cb 1.28 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1hjk h ALA 240 CO 0.65 0.70 0.49 0.00 0.00 0.00 0.00 179.25 181.10 1hjk h ALA 241 N 0.82 1.13 0.00 0.00 0.00 -1.89 0.66 119.26 119.98 1hjk h ALA 241 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1hjk h ALA 241 Cb 1.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1hjk h ALA 241 CO 0.12 0.20 -0.57 0.66 0.00 0.00 0.00 179.25 179.67 1hjk h SER 242 N 0.89 0.00 -0.77 0.00 4.64 -1.95 -2.84 113.55 113.52 1hjk h SER 242 Ca 0.36 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.64 1hjk h SER 242 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1hjk h SER 242 CO -0.19 0.57 0.31 0.25 -0.87 0.00 0.00 176.83 176.91 1hjk h LEU 243 N 0.00 1.06 -0.50 5.97 5.85 -0.13 -2.85 115.31 124.71 1hjk h LEU 243 Ca -0.01 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.39 1hjk h LEU 243 Cb 1.35 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1hjk h LEU 243 CO 0.07 0.94 -0.69 0.78 -0.34 0.00 0.00 178.44 179.20 1hjk h ASN 244 N 1.13 0.36 -0.69 1.25 4.21 -1.01 -2.91 115.58 117.92 1hjk h ASN 244 Ca 0.26 -0.23 0.13 0.00 1.21 0.00 0.00 56.30 57.67 1hjk h ASN 244 Cb 0.20 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.26 1hjk h ASN 244 CO -0.02 0.94 0.46 0.28 -1.29 0.00 0.00 177.43 177.80 1hjk h SER 245 N 0.21 0.36 -1.91 5.81 0.02 -1.27 -3.41 113.55 113.36 1hjk h SER 245 Ca -0.02 0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 60.33 1hjk h SER 245 Cb 1.24 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.74 1hjk h SER 245 CO 0.11 0.20 1.23 0.52 -1.14 0.00 0.00 176.83 177.75 1hjk n VAL 246 N -4.47 0.51 0.35 2.27 0.31 -1.10 -4.85 118.33 111.35 1hjk n VAL 246 Ca 0.12 -0.19 0.05 0.00 -0.01 0.00 0.00 64.34 64.31 1hjk n VAL 246 Cb 0.48 -2.00 0.05 0.00 -0.91 0.00 0.00 33.84 31.46 1hjk n VAL 246 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1hjk n THR 247 N 5.93 0.11 -3.71 2.52 -2.24 -1.26 -4.98 114.28 110.64 1hjk n THR 247 Ca 0.26 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1hjk n THR 247 Cb 0.32 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 1hjk n THR 247 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hjk s GLU 248 N -0.85 0.49 -0.11 -0.78 2.02 -1.26 -5.01 118.70 113.21 1hjk s GLU 248 Ca 0.13 0.68 -0.04 0.00 0.02 0.00 0.00 54.97 55.76 1hjk s GLU 248 Cb 0.09 0.18 0.05 0.00 0.10 0.00 0.00 34.13 34.55 1hjk s GLU 248 CO 0.13 -0.09 0.16 0.00 0.02 0.00 0.00 175.26 175.47 1hjk s ALA 249 N 0.58 -0.09 0.16 5.21 0.00 -1.25 -4.78 121.76 121.58 1hjk s ALA 249 Ca -0.03 0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1hjk s ALA 249 Cb -0.05 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1hjk s ALA 249 CO -0.03 -0.71 0.30 0.27 0.00 0.00 0.00 175.76 175.58 1hjk n ASN 250 N 5.32 -0.86 0.00 0.00 0.23 0.10 -4.89 115.26 115.16 1hjk n ASN 250 Ca -0.05 -1.68 0.04 0.00 -0.53 0.00 0.00 54.58 52.36 1hjk n ASN 250 Cb 0.50 1.46 0.19 0.00 -2.08 0.00 0.00 39.78 39.84 1hjk n ASN 250 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hjk n GLN 251 N -0.22 0.10 -0.03 -3.83 1.13 -1.26 0.35 117.38 113.63 1hjk n GLN 251 Ca -0.03 0.22 -0.03 0.00 -1.94 0.00 0.00 57.00 55.22 1hjk n GLN 251 Cb 0.24 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 1hjk n GLN 251 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1hjk n GLN 252 N -1.29 1.96 -3.20 -1.09 3.00 -1.26 -4.70 117.38 110.80 1hjk n GLN 252 Ca 0.03 0.01 -0.26 0.00 -0.01 0.00 0.00 57.00 56.78 1hjk n GLN 252 Cb 0.06 -1.12 -0.06 0.00 0.00 0.00 0.00 30.24 29.12 1hjk n GLN 252 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1hjk n LYS 253 N -2.38 2.56 -2.69 -1.09 5.02 -0.72 -4.79 118.16 114.06 1hjk n LYS 253 Ca -0.09 -4.54 -0.42 0.00 -2.02 0.00 0.00 58.31 51.24 1hjk n LYS 253 Cb 0.64 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1hjk n LYS 253 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1hjk s PRO 254 N -2.76 4.58 0.12 1.97 0.04 0.16 -0.72 135.00 138.38 1hjk s PRO 254 Ca 0.43 1.46 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 1hjk s PRO 254 Cb 0.22 -3.43 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 1hjk s PRO 254 CO -0.07 -0.01 0.77 -1.17 0.04 0.00 0.00 177.00 176.56 1hjk s LEU 255 N 0.77 4.54 -0.23 -3.56 2.96 0.77 -0.64 118.68 123.29 1hjk s LEU 255 Ca 0.51 1.57 -0.04 0.00 -0.22 0.00 0.00 54.13 55.95 1hjk s LEU 255 Cb -0.22 -3.26 0.08 0.00 0.50 0.00 0.00 46.19 43.28 1hjk s LEU 255 CO 0.29 0.14 0.10 -0.22 -1.32 0.00 0.00 176.35 175.34 1hjk s LEU 256 N -0.76 0.55 -0.25 -0.68 2.96 0.29 -2.13 118.68 118.65 1hjk s LEU 256 Ca 0.37 -0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 1hjk s LEU 256 Cb -0.22 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 1hjk s LEU 256 CO 0.25 -0.39 0.06 -0.83 -1.32 0.00 0.00 176.35 174.12 1hjk s GLY 257 N 2.09 1.75 -0.45 7.98 0.00 -0.22 -0.95 107.32 117.52 1hjk s GLY 257 Ca 0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.56 1hjk s GLY 257 CO -0.22 0.54 0.25 1.08 0.00 0.00 0.00 173.10 174.75 1hjk s LEU 258 N 1.58 5.24 0.00 0.66 1.43 -0.75 -1.34 118.68 125.51 1hjk s LEU 258 Ca 0.06 -2.19 0.18 0.00 -1.03 0.00 0.00 54.13 51.14 1hjk s LEU 258 Cb -0.15 -1.83 0.50 0.00 0.03 0.00 0.00 46.19 44.73 1hjk s LEU 258 CO 0.03 -0.51 1.41 0.49 0.23 0.00 0.00 176.35 178.00 1hjk n PHE 259 N 4.38 0.66 -3.58 0.29 3.72 0.06 -4.34 117.46 118.64 1hjk n PHE 259 Ca -0.00 -0.33 -0.07 0.00 -0.05 0.00 0.00 57.45 57.00 1hjk n PHE 259 Cb 0.41 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.91 1hjk n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hjk s ALA 260 N -1.34 -1.99 0.04 4.37 0.00 -1.26 -4.91 121.76 116.66 1hjk s ALA 260 Ca 0.36 1.56 -0.33 0.00 0.00 0.00 0.00 51.96 53.54 1hjk s ALA 260 Cb 0.19 -0.49 -0.19 0.00 0.00 0.00 0.00 23.12 22.64 1hjk s ALA 260 CO 0.25 -0.45 1.42 -0.44 0.00 0.00 0.00 175.76 176.54 1hjk h ASP 261 N 2.19 -1.02 0.00 0.00 5.19 -1.93 0.80 116.42 121.65 1hjk h ASP 261 Ca -0.14 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1hjk h ASP 261 Cb 1.18 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.96 1hjk h ASP 261 CO 0.27 -0.69 0.00 0.61 -3.12 0.00 0.00 179.24 176.31 1hjk n GLY 262 N -1.36 0.84 3.76 2.75 0.00 -1.26 -1.28 105.19 108.64 1hjk n GLY 262 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1hjk n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hjk s ASN 263 N -0.35 7.47 0.78 1.61 0.01 -1.26 -0.25 114.94 122.95 1hjk s ASN 263 Ca 0.00 1.74 -0.13 0.00 -0.71 0.00 0.00 52.86 53.76 1hjk s ASN 263 Cb 0.00 -2.54 0.07 0.00 0.41 0.00 0.00 41.25 39.19 1hjk s ASN 263 CO 0.00 0.15 1.17 -0.04 -1.51 0.00 0.00 177.10 176.87 1hjk s MET 264 N -0.97 1.87 0.36 -0.60 -1.94 -0.98 -4.92 119.30 112.13 1hjk s MET 264 Ca 0.39 1.61 -0.28 0.00 -1.71 0.00 0.00 55.69 55.69 1hjk s MET 264 Cb -0.24 -1.82 -0.11 0.00 2.01 0.00 0.00 34.83 34.67 1hjk s MET 264 CO 0.28 -2.00 1.47 -1.25 -0.01 0.00 0.00 175.02 173.51 1hjk s PRO 265 N -4.25 4.14 0.47 2.03 0.04 -1.26 -4.93 135.00 131.24 1hjk s PRO 265 Ca 0.70 2.52 -0.22 0.00 0.04 0.00 0.00 61.00 64.05 1hjk s PRO 265 Cb -0.25 -2.99 -0.08 0.00 0.04 0.00 0.00 34.50 31.22 1hjk s PRO 265 CO 0.50 -0.49 1.10 0.14 0.04 0.00 0.00 177.00 178.29 1hjk s VAL 266 N -1.04 3.43 0.08 -0.36 -7.23 -1.26 -4.95 120.40 109.08 1hjk s VAL 266 Ca 0.53 1.00 -0.17 0.00 -1.81 0.00 0.00 61.98 61.53 1hjk s VAL 266 Cb -0.46 -3.47 -0.09 0.00 0.56 0.00 0.00 36.38 32.92 1hjk s VAL 266 CO 0.61 -0.09 1.42 -0.09 -0.31 0.00 0.00 175.10 176.64 1hjk h ARG 267 N 1.89 0.58 -5.89 4.82 2.43 -1.88 -3.42 114.38 112.91 1hjk h ARG 267 Ca -0.49 -0.28 -0.57 0.00 -0.81 0.00 0.00 59.98 57.83 1hjk h ARG 267 Cb 1.24 -0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 30.50 1hjk h ARG 267 CO 0.60 0.87 -0.84 -1.58 -1.51 0.00 0.00 179.97 177.50 1hjk s TRP 268 N -4.46 1.72 0.32 2.20 0.51 -1.26 -0.14 118.94 117.83 1hjk s TRP 268 Ca -0.13 -0.34 0.00 0.00 -2.12 0.00 0.00 56.10 53.51 1hjk s TRP 268 Cb 0.08 -1.08 -0.03 0.00 -0.81 0.00 0.00 33.47 31.63 1hjk s TRP 268 CO 0.80 0.01 0.53 -0.51 -0.51 0.00 0.00 176.95 177.26 1hjk s LEU 269 N -0.70 4.05 0.00 2.99 1.43 0.16 -3.53 118.68 123.08 1hjk s LEU 269 Ca 0.07 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1hjk s LEU 269 Cb -0.08 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1hjk s LEU 269 CO 0.00 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1hjk n GLY 270 N -1.60 1.27 3.75 -3.19 0.00 -1.26 -2.04 105.19 102.12 1hjk n GLY 270 Ca -0.05 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1hjk n GLY 270 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hjk s PRO 271 N -2.00 0.73 0.46 1.61 0.04 -1.26 -4.85 135.00 129.74 1hjk s PRO 271 Ca 0.00 0.29 -0.21 0.00 0.04 0.00 0.00 61.00 61.12 1hjk s PRO 271 Cb 0.00 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 1hjk s PRO 271 CO 0.00 -2.48 1.01 0.15 0.04 0.00 0.00 177.00 175.72 1hjk s LYS 272 N -5.23 3.97 0.66 4.56 1.02 -1.26 -4.49 119.74 118.98 1hjk s LYS 272 Ca 0.65 1.28 -0.16 0.00 0.02 0.00 0.00 55.97 57.76 1hjk s LYS 272 Cb -0.15 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1hjk s LYS 272 CO 0.55 -0.27 1.17 0.00 -0.92 0.00 0.00 175.35 175.87 1hjk s ALA 273 N -2.04 2.37 0.09 5.17 0.00 0.70 -4.98 121.76 123.05 1hjk s ALA 273 Ca 0.65 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 1hjk s ALA 273 Cb -0.14 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1hjk s ALA 273 CO 0.18 -1.44 0.26 0.95 0.00 0.00 0.00 175.76 175.70 1hjk s THR 274 N -2.02 0.11 -0.22 0.00 -4.23 0.29 -4.65 115.64 104.92 1hjk s THR 274 Ca 0.72 -0.93 -0.38 0.00 -1.18 0.00 0.00 61.69 59.92 1hjk s THR 274 Cb -0.26 -1.20 -0.14 0.00 1.34 0.00 0.00 72.50 72.24 1hjk s THR 274 CO 0.40 -0.52 1.81 0.00 -0.54 0.00 0.00 174.62 175.77 1hjk n TYR 275 N 0.05 2.14 -2.62 3.99 9.36 -1.20 0.33 117.16 129.22 1hjk n TYR 275 Ca -0.16 0.34 -0.20 0.00 3.32 0.00 0.00 57.90 61.19 1hjk n TYR 275 Cb 0.62 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 1hjk n TYR 275 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1hjk n HIS 276 N 5.98 -1.35 0.08 2.98 8.25 -1.25 -4.91 115.22 124.98 1hjk n HIS 276 Ca 0.26 0.16 0.01 0.00 -0.26 0.00 0.00 57.72 57.89 1hjk n HIS 276 Cb 0.19 -3.94 0.34 0.00 1.12 0.00 0.00 29.99 27.70 1hjk n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1hjk h GLY 277 N -0.43 0.36 1.70 -1.41 0.00 -0.23 -0.04 103.07 103.02 1hjk h GLY 277 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1hjk h GLY 277 CO 0.55 0.21 0.00 1.16 0.00 0.00 0.00 176.54 178.46 1hjk n ASN 278 N -4.25 0.00 -0.02 0.19 6.94 -1.26 -2.56 115.26 114.30 1hjk n ASN 278 Ca -0.00 0.17 -0.04 0.00 -0.02 0.00 0.00 54.58 54.68 1hjk n ASN 278 Cb 0.28 -0.35 -0.02 0.00 -2.36 0.00 0.00 39.78 37.33 1hjk n ASN 278 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1hjk n ILE 279 N -1.35 0.26 0.02 1.53 -5.35 -0.93 -4.76 119.36 108.78 1hjk n ILE 279 Ca 0.07 -0.08 -0.09 0.00 -0.27 0.00 0.00 62.75 62.38 1hjk n ILE 279 Cb 0.17 -1.16 0.06 0.00 -1.74 0.00 0.00 39.64 36.97 1hjk n ILE 279 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1hjk h ASP 280 N -0.09 0.55 -1.76 7.28 3.32 -1.15 -3.45 116.42 121.11 1hjk h ASP 280 Ca -0.11 -0.31 -0.51 0.00 0.02 0.00 0.00 57.03 56.12 1hjk h ASP 280 Cb 1.13 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 1hjk h ASP 280 CO -0.05 1.01 -0.46 -0.54 -1.72 0.00 0.00 179.24 177.48 1hjk s LYS 281 N -3.92 2.54 0.43 3.56 3.01 -1.06 -5.06 119.74 119.25 1hjk s LYS 281 Ca -0.07 -1.46 -0.03 0.00 -1.01 0.00 0.00 55.97 53.40 1hjk s LYS 281 Cb 0.11 -2.33 -0.04 0.00 -1.01 0.00 0.00 37.83 34.57 1hjk s LYS 281 CO 0.83 0.02 0.69 -1.25 0.51 0.00 0.00 175.35 176.16 1hjk s PRO 282 N -3.98 3.52 0.31 -1.68 0.04 -1.26 -4.68 135.00 127.27 1hjk s PRO 282 Ca 0.42 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 1hjk s PRO 282 Cb -0.04 -2.49 -0.12 0.00 0.04 0.00 0.00 34.50 31.90 1hjk s PRO 282 CO 0.25 -0.07 1.54 0.00 0.04 0.00 0.00 177.00 178.77 1hjk n ALA 283 N -2.07 2.32 -2.29 8.56 0.00 -1.26 -4.80 120.51 120.97 1hjk n ALA 283 Ca -0.02 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.55 1hjk n ALA 283 Cb 0.55 -2.43 0.01 0.00 0.00 0.00 0.00 19.45 17.59 1hjk n ALA 283 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hjk s VAL 284 N -0.26 4.16 -0.13 0.00 1.01 0.32 -4.82 120.40 120.67 1hjk s VAL 284 Ca 0.62 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 1hjk s VAL 284 Cb -0.51 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1hjk s VAL 284 CO 0.52 -0.47 0.28 -0.89 0.00 0.00 0.00 175.10 174.54 1hjk s THR 285 N -2.67 -0.38 0.54 3.92 2.01 -1.26 -0.74 115.64 117.06 1hjk s THR 285 Ca 0.49 0.25 -0.21 0.00 0.31 0.00 0.00 61.69 62.53 1hjk s THR 285 Cb -0.10 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1hjk s THR 285 CO 0.41 0.11 1.24 0.00 -0.69 0.00 0.00 174.62 175.68 1hjk s THR 287 N -1.49 1.95 0.30 0.00 2.01 -0.86 -4.98 115.64 112.57 1hjk s THR 287 Ca 0.71 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1hjk s THR 287 Cb -0.33 -1.75 -0.12 0.00 0.01 0.00 0.00 72.50 70.31 1hjk s THR 287 CO 0.38 0.53 1.51 -2.65 -0.69 0.00 0.00 174.62 173.69 1hjk n PRO 288 N 4.33 2.49 -2.00 4.92 -0.02 -1.26 0.39 135.00 143.85 1hjk n PRO 288 Ca -0.20 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 1hjk n PRO 288 Cb 0.51 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 1hjk n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1hjk s ASN 289 N 0.26 5.40 0.47 2.55 2.47 0.80 -4.69 114.94 122.20 1hjk s ASN 289 Ca 0.62 0.66 0.26 0.00 0.42 0.00 0.00 52.86 54.82 1hjk s ASN 289 Cb -0.53 -2.53 1.30 0.00 -1.45 0.00 0.00 41.25 38.04 1hjk s ASN 289 CO 0.53 -2.22 1.81 1.55 -3.72 0.00 0.00 177.10 175.05 1hjk h PRO 290 N 14.65 0.20 -0.50 0.43 0.13 -1.89 -1.42 132.00 143.61 1hjk h PRO 290 Ca -0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1hjk h PRO 290 Cb 1.17 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1hjk h PRO 290 CO 1.16 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 179.06 1hjk n GLN 291 N -4.42 1.66 0.16 0.86 10.64 -1.26 -4.14 117.38 120.88 1hjk n GLN 291 Ca 0.23 -0.71 0.13 0.00 -1.83 0.00 0.00 57.00 54.82 1hjk n GLN 291 Cb 0.98 -1.38 0.36 0.00 -0.86 0.00 0.00 30.24 29.33 1hjk n GLN 291 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 1hjk h ARG 292 N 1.03 0.00 -1.94 2.61 0.11 -1.55 -3.48 114.38 111.16 1hjk h ARG 292 Ca 0.00 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 1hjk h ARG 292 Cb 0.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 1hjk h ARG 292 CO 0.05 0.00 -0.53 0.09 0.10 0.00 0.00 179.97 179.68 1hjk n ASN 293 N -2.58 -4.39 0.06 0.08 3.02 -1.26 -4.45 115.26 105.74 1hjk n ASN 293 Ca 0.04 0.96 -0.12 0.00 -0.03 0.00 0.00 54.58 55.43 1hjk n ASN 293 Cb 0.43 -2.24 -0.13 0.00 -0.61 0.00 0.00 39.78 37.23 1hjk n ASN 293 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1hjk h ASP 294 N -0.03 0.22 0.71 6.41 3.58 -1.94 -2.78 116.42 122.59 1hjk h ASP 294 Ca -0.01 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1hjk h ASP 294 Cb 0.54 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1hjk h ASP 294 CO 0.01 1.22 -0.18 -1.54 -2.88 0.00 0.00 179.24 175.86 1hjk n SER 295 N -3.39 0.25 -4.43 2.28 3.41 -1.26 -4.75 113.62 105.73 1hjk n SER 295 Ca -0.09 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.20 1hjk n SER 295 Cb 1.00 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 64.66 1hjk n SER 295 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hjk s VAL 296 N -2.89 4.31 0.21 -3.33 1.01 -1.05 -1.48 120.40 117.19 1hjk s VAL 296 Ca 0.16 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1hjk s VAL 296 Cb 0.19 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 1hjk s VAL 296 CO 0.57 0.24 1.38 -2.16 0.00 0.00 0.00 175.10 175.13 1hjk s PRO 297 N 1.60 4.33 1.27 2.72 0.04 -1.26 -4.82 135.00 138.87 1hjk s PRO 297 Ca 0.05 2.17 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 1hjk s PRO 297 Cb -0.16 -3.16 0.31 0.00 0.04 0.00 0.00 34.50 31.54 1hjk s PRO 297 CO 0.04 -0.35 1.05 0.95 0.04 0.00 0.00 177.00 178.73 1hjk s THR 298 N 0.16 1.48 0.08 1.26 -4.23 -1.26 -4.79 115.64 108.35 1hjk s THR 298 Ca 0.59 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.94 1hjk s THR 298 Cb -0.39 -2.35 -0.12 0.00 1.34 0.00 0.00 72.50 70.98 1hjk s THR 298 CO 0.40 0.00 1.36 0.25 -0.54 0.00 0.00 174.62 176.09 1hjk h LEU 299 N -2.86 0.70 -0.64 4.79 5.85 -1.95 -1.36 115.31 119.85 1hjk h LEU 299 Ca -0.45 -0.52 0.10 0.00 0.84 0.00 0.00 57.88 57.85 1hjk h LEU 299 Cb 1.31 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 1hjk h LEU 299 CO 0.32 1.09 0.23 0.00 -0.34 0.00 0.00 178.44 179.75 1hjk h ALA 300 N 0.63 0.83 -0.82 1.25 0.00 -1.89 0.68 119.26 119.95 1hjk h ALA 300 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1hjk h ALA 300 Cb 0.95 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1hjk h ALA 300 CO 0.08 -0.20 0.43 1.96 0.00 0.00 0.00 179.25 181.52 1hjk h GLN 301 N 0.41 1.16 -0.47 0.00 4.20 -1.76 -1.24 115.11 117.40 1hjk h GLN 301 Ca 0.33 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 1hjk h GLN 301 Cb 0.43 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1hjk h GLN 301 CO -0.33 0.87 -0.18 0.52 -0.67 0.00 0.00 178.83 179.04 1hjk h MET 302 N 1.16 0.93 -0.40 1.46 2.86 0.18 -2.88 114.93 118.24 1hjk h MET 302 Ca 0.29 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1hjk h MET 302 Cb 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1hjk h MET 302 CO -0.04 1.02 0.05 1.15 1.06 0.00 0.00 176.91 180.15 1hjk h THR 303 N 0.81 1.25 -0.29 2.22 2.02 -0.82 -1.87 112.91 116.23 1hjk h THR 303 Ca 0.12 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1hjk h THR 303 Cb 0.72 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1hjk h THR 303 CO 0.06 0.31 0.16 -0.78 0.37 0.00 0.00 175.52 175.64 1hjk h ASP 304 N 0.51 0.35 -0.64 4.18 3.58 -1.12 -0.03 116.42 123.25 1hjk h ASP 304 Ca 0.12 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1hjk h ASP 304 Cb 0.40 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1hjk h ASP 304 CO 0.01 0.32 0.22 0.50 -2.88 0.00 0.00 179.24 177.41 1hjk h LYS 305 N 0.35 0.98 0.21 0.28 1.63 -1.49 0.06 116.57 118.60 1hjk h LYS 305 Ca 0.10 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1hjk h LYS 305 Cb 0.04 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1hjk h LYS 305 CO -0.02 0.85 -0.10 0.00 -3.45 0.00 0.00 179.45 176.73 1hjk h ALA 306 N 1.08 -0.28 -0.75 5.00 0.00 -1.12 0.44 119.26 123.63 1hjk h ALA 306 Ca 0.21 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1hjk h ALA 306 Cb 0.26 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1hjk h ALA 306 CO -0.01 -0.58 0.39 0.82 0.00 0.00 0.00 179.25 179.87 1hjk h ILE 307 N -0.44 0.86 0.66 0.00 2.04 -0.71 0.61 117.51 120.53 1hjk h ILE 307 Ca -0.03 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1hjk h ILE 307 Cb 0.34 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1hjk h ILE 307 CO 0.05 0.12 -0.40 -0.08 0.00 0.00 0.00 178.15 177.84 1hjk h GLU 308 N 0.65 -0.96 -0.83 2.37 4.81 -0.47 0.35 114.58 120.51 1hjk h GLU 308 Ca 0.37 0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 1hjk h GLU 308 Cb 0.38 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1hjk h GLU 308 CO -0.27 -0.64 0.46 -0.07 -0.73 0.00 0.00 179.01 177.76 1hjk h LEU 309 N -0.99 1.03 -0.17 1.64 3.38 0.18 -2.28 115.31 118.10 1hjk h LEU 309 Ca -0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1hjk h LEU 309 Cb 0.80 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1hjk h LEU 309 CO 0.09 0.83 0.00 -0.07 0.09 0.00 0.00 178.44 179.38 1hjk h LEU 310 N 1.16 0.00 -0.72 1.67 3.38 0.30 -3.30 115.31 117.80 1hjk h LEU 310 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 1hjk h LEU 310 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1hjk h LEU 310 CO -0.05 0.00 -0.56 0.77 0.09 0.00 0.00 178.44 178.69 1hjk h SER 311 N 0.00 0.00 -0.16 -0.43 4.64 0.31 -3.09 113.55 114.83 1hjk h SER 311 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1hjk h SER 311 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1hjk h SER 311 CO 0.00 0.56 0.13 0.11 -0.87 0.00 0.00 176.83 176.76 1hjk h LYS 312 N 0.00 0.00 -6.13 4.77 1.57 -1.63 -3.40 116.57 111.75 1hjk h LYS 312 Ca -0.01 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.19 1hjk h LYS 312 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1hjk h LYS 312 CO 0.07 0.00 1.39 1.21 -0.57 0.00 0.00 179.45 181.55 1hjk s ASN 313 N -6.49 5.66 0.24 0.86 3.84 -1.17 -4.87 114.94 113.01 1hjk s ASN 313 Ca -0.05 1.58 -0.05 0.00 0.21 0.00 0.00 52.86 54.55 1hjk s ASN 313 Cb 0.17 -2.52 0.46 0.00 -0.55 0.00 0.00 41.25 38.81 1hjk s ASN 313 CO 0.64 -1.85 1.69 -0.33 -2.79 0.00 0.00 177.10 174.46 1hjk h GLU 314 N 14.03 0.28 0.00 0.43 4.39 -1.90 -2.54 114.58 129.26 1hjk h GLU 314 Ca -0.37 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 1hjk h GLU 314 Cb 1.20 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1hjk h GLU 314 CO 1.00 0.18 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.77 1hjk h LYS 315 N 0.28 0.00 0.00 2.33 1.63 -1.89 -3.49 116.57 115.44 1hjk h LYS 315 Ca 0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.21 1hjk h LYS 315 Cb 0.69 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1hjk h LYS 315 CO -0.50 0.04 0.00 0.41 -3.45 0.00 0.00 179.45 175.95 1hjk n GLY 316 N -1.01 0.98 3.50 5.01 0.00 -0.96 -4.93 105.19 107.78 1hjk n GLY 316 Ca -0.02 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.60 1hjk n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hjk s PHE 317 N -1.05 -0.32 -0.08 1.61 -0.12 -1.23 -1.39 117.98 115.40 1hjk s PHE 317 Ca 0.00 0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.93 1hjk s PHE 317 Cb 0.00 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1hjk s PHE 317 CO 0.00 -0.91 -0.19 0.12 -0.05 0.00 0.00 175.22 174.20 1hjk s PHE 318 N -3.82 2.06 -0.03 3.49 5.36 0.15 -1.58 117.98 123.61 1hjk s PHE 318 Ca 0.05 -0.82 0.01 0.00 -0.96 0.00 0.00 56.93 55.21 1hjk s PHE 318 Cb -0.01 -1.42 0.01 0.00 -0.34 0.00 0.00 43.02 41.26 1hjk s PHE 318 CO -0.07 -0.36 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.13 1hjk s LEU 319 N 0.50 1.53 -0.31 6.12 2.96 -0.38 0.90 118.68 130.00 1hjk s LEU 319 Ca -0.17 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1hjk s LEU 319 Cb -0.17 -0.34 0.07 0.00 0.50 0.00 0.00 46.19 46.25 1hjk s LEU 319 CO 0.06 -0.02 0.01 -1.58 -1.32 0.00 0.00 176.35 173.50 1hjk s GLN 320 N 0.57 2.21 -0.21 1.98 0.74 0.29 -0.77 119.66 124.47 1hjk s GLN 320 Ca -0.07 -1.44 -0.10 0.00 0.05 0.00 0.00 55.36 53.81 1hjk s GLN 320 Cb -0.10 -3.17 -0.05 0.00 1.10 0.00 0.00 33.01 30.79 1hjk s GLN 320 CO -0.00 -0.71 0.13 0.08 -0.55 0.00 0.00 175.29 174.24 1hjk s VAL 321 N 1.16 5.35 -0.13 1.34 1.01 0.16 -1.10 120.40 128.18 1hjk s VAL 321 Ca -0.02 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1hjk s VAL 321 Cb -0.20 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1hjk s VAL 321 CO -0.03 0.42 -0.19 -0.70 0.00 0.00 0.00 175.10 174.60 1hjk s GLU 322 N 0.50 2.71 -0.77 2.72 2.12 0.75 -0.92 118.70 125.81 1hjk s GLU 322 Ca 0.08 -0.74 -0.18 0.00 0.36 0.00 0.00 54.97 54.49 1hjk s GLU 322 Cb -0.12 -2.24 0.13 0.00 0.26 0.00 0.00 34.13 32.17 1hjk s GLU 322 CO -0.01 -0.05 0.89 0.20 -0.54 0.00 0.00 175.26 175.75 1hjk s GLY 323 N 0.93 1.98 -0.01 -1.50 0.00 -0.13 -2.52 107.32 106.06 1hjk s GLY 323 Ca -0.06 -2.62 -0.25 0.00 0.00 0.00 0.00 44.72 41.80 1hjk s GLY 323 CO -0.03 1.71 1.21 0.00 0.00 0.00 0.00 173.10 175.99 1hjk h ALA 324 N 8.80 -0.20 0.00 3.20 0.00 -1.87 -2.57 119.26 126.62 1hjk h ALA 324 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1hjk h ALA 324 Cb 1.05 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1hjk h ALA 324 CO 1.04 -0.40 0.00 0.43 0.00 0.00 0.00 179.25 180.32 1hjk n SER 325 N -4.99 0.00 0.18 0.00 7.64 -1.26 -3.53 113.62 111.66 1hjk n SER 325 Ca -0.09 -0.39 -0.14 0.00 1.01 0.00 0.00 58.87 59.27 1hjk n SER 325 Cb 0.25 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 1hjk n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hjk h ILE 326 N 0.00 0.56 -0.30 0.44 2.04 -1.76 0.49 117.51 118.99 1hjk h ILE 326 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1hjk h ILE 326 Cb 0.02 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1hjk h ILE 326 CO 0.00 0.00 0.16 -0.78 0.00 0.00 0.00 178.15 177.53 1hjk h ASP 327 N -0.48 0.25 -0.39 1.72 3.58 -1.21 0.70 116.42 120.59 1hjk h ASP 327 Ca -0.02 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 1hjk h ASP 327 Cb 0.42 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 1hjk h ASP 327 CO -0.00 0.19 0.11 0.11 -2.88 0.00 0.00 179.24 176.76 1hjk h LYS 328 N 0.33 0.69 0.10 0.28 1.57 -1.69 -0.21 116.57 117.64 1hjk h LYS 328 Ca 0.12 -0.13 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1hjk h LYS 328 Cb 0.02 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.24 1hjk h LYS 328 CO -0.07 0.63 -0.99 1.96 -0.57 0.00 0.00 179.45 180.41 1hjk h GLN 329 N 0.67 0.49 -0.16 3.15 1.08 -0.47 -2.95 115.11 116.92 1hjk h GLN 329 Ca 0.15 -0.66 0.05 0.00 -1.45 0.00 0.00 58.65 56.74 1hjk h GLN 329 Cb 0.25 0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 1hjk h GLN 329 CO -0.00 1.28 -0.16 0.22 -0.95 0.00 0.00 178.83 179.22 1hjk h ASP 330 N 0.02 -0.51 0.41 1.46 1.82 -0.59 0.78 116.42 119.81 1hjk h ASP 330 Ca -0.15 0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.54 1hjk h ASP 330 Cb 1.71 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.96 1hjk h ASP 330 CO 0.19 -0.21 -0.22 0.06 -1.61 0.00 0.00 179.24 177.45 1hjk h GLN 331 N -0.19 0.00 0.00 0.28 3.07 -1.17 -0.27 115.11 116.83 1hjk h GLN 331 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.85 1hjk h GLN 331 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1hjk h GLN 331 CO -0.27 0.22 0.00 0.00 0.09 0.00 0.00 178.83 178.87 1hjk n ALA 332 N -2.36 1.70 -3.25 0.06 0.00 0.04 -0.58 120.51 116.12 1hjk n ALA 332 Ca -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1hjk n ALA 332 Cb 0.31 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.45 1hjk n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjk n ALA 333 N -1.73 -0.94 -3.84 0.00 0.00 0.05 -4.81 120.51 109.24 1hjk n ALA 333 Ca 0.03 0.27 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1hjk n ALA 333 Cb 0.23 -3.88 -0.12 0.00 0.00 0.00 0.00 19.45 15.68 1hjk n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hjk s ASN 334 N -3.26 5.01 0.18 0.00 3.84 -0.90 -0.22 114.94 119.58 1hjk s ASN 334 Ca 0.39 -2.38 -0.15 0.00 0.21 0.00 0.00 52.86 50.92 1hjk s ASN 334 Cb -0.17 -1.76 0.14 0.00 -0.55 0.00 0.00 41.25 38.91 1hjk s ASN 334 CO 0.51 -0.42 1.69 -0.65 -2.79 0.00 0.00 177.10 175.44 1hjk h PRO 335 N 7.50 0.11 -0.54 0.43 0.11 -1.87 -1.41 132.00 136.33 1hjk h PRO 335 Ca -0.08 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.04 1hjk h PRO 335 Cb 1.00 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1hjk h PRO 335 CO 0.66 0.07 0.35 0.00 -0.21 0.00 0.00 178.00 178.87 1hjk h GLY 337 N 0.70 0.79 0.90 0.00 0.00 -1.53 -0.05 103.07 103.88 1hjk h GLY 337 Ca 0.20 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1hjk h GLY 337 CO -0.06 0.48 -0.38 -1.61 0.00 0.00 0.00 176.54 174.97 1hjk h GLN 338 N 0.60 -0.94 -0.46 4.80 4.15 -0.76 -2.34 115.11 120.17 1hjk h GLN 338 Ca 0.14 0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.65 1hjk h GLN 338 Cb 0.36 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 1hjk h GLN 338 CO 0.01 -0.62 0.25 0.82 -1.93 0.00 0.00 178.83 177.35 1hjk h ILE 339 N -0.97 1.01 -0.86 2.39 2.04 -0.42 -1.60 117.51 119.09 1hjk h ILE 339 Ca -0.09 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.70 1hjk h ILE 339 Cb 0.77 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1hjk h ILE 339 CO 0.11 0.09 0.50 1.23 0.00 0.00 0.00 178.15 180.08 1hjk h GLY 340 N 0.50 1.35 1.46 5.37 0.00 -0.93 -2.34 103.07 108.49 1hjk h GLY 340 Ca 0.19 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1hjk h GLY 340 CO -0.11 0.13 0.05 0.83 0.00 0.00 0.00 176.54 177.43 1hjk h GLU 341 N 0.82 0.67 -0.16 4.80 4.39 -0.73 -0.70 114.58 123.68 1hjk h GLU 341 Ca 0.42 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 1hjk h GLU 341 Cb 0.40 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1hjk h GLU 341 CO -0.25 0.66 0.01 1.15 -1.16 0.00 0.00 179.01 179.41 1hjk h THR 342 N 0.64 1.24 -0.78 1.13 2.02 -1.10 -1.68 112.91 114.38 1hjk h THR 342 Ca 0.14 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1hjk h THR 342 Cb 0.33 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1hjk h THR 342 CO 0.01 0.24 0.46 -0.37 0.37 0.00 0.00 175.52 176.23 1hjk h VAL 343 N 0.03 1.22 -0.76 3.16 -1.51 -1.23 -0.71 116.25 116.45 1hjk h VAL 343 Ca 0.05 -0.50 0.17 0.00 -1.23 0.00 0.00 66.70 65.18 1hjk h VAL 343 Cb 0.36 0.15 -0.11 0.00 -2.13 0.00 0.00 31.29 29.55 1hjk h VAL 343 CO 0.01 0.23 0.20 -0.78 -1.23 0.00 0.00 177.57 176.00 1hjk h ASP 344 N 1.06 0.04 0.13 4.19 3.58 -0.96 -0.26 116.42 124.21 1hjk h ASP 344 Ca 0.28 0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.76 1hjk h ASP 344 Cb -0.02 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1hjk h ASP 344 CO -0.05 -0.04 -0.42 0.25 -2.88 0.00 0.00 179.24 176.10 1hjk h LEU 345 N 0.28 0.39 -1.45 2.28 5.85 -0.26 -2.87 115.31 119.52 1hjk h LEU 345 Ca 0.43 -0.17 0.17 0.00 0.84 0.00 0.00 57.88 59.16 1hjk h LEU 345 Cb 0.75 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1hjk h LEU 345 CO -0.52 0.76 0.57 -0.78 -0.34 0.00 0.00 178.44 178.13 1hjk h ASP 346 N 0.30 0.49 -0.25 1.25 3.58 0.35 0.19 116.42 122.33 1hjk h ASP 346 Ca 0.03 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 1hjk h ASP 346 Cb 0.86 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 1hjk h ASP 346 CO 0.07 0.22 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.10 1hjk h GLU 347 N 0.50 0.58 -0.48 0.28 5.08 -1.26 -2.02 114.58 117.27 1hjk h GLU 347 Ca 0.44 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1hjk h GLU 347 Cb 0.95 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1hjk h GLU 347 CO -0.18 0.89 0.17 0.00 -1.00 0.00 0.00 179.01 178.90 1hjk h ALA 348 N 0.68 0.62 -0.70 3.43 0.00 -1.10 -0.27 119.26 121.93 1hjk h ALA 348 Ca 0.04 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1hjk h ALA 348 Cb 0.77 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1hjk h ALA 348 CO 0.06 0.25 0.42 0.28 0.00 0.00 0.00 179.25 180.25 1hjk h VAL 349 N 0.63 1.03 0.63 0.00 2.07 -0.69 0.10 116.25 120.03 1hjk h VAL 349 Ca 0.16 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1hjk h VAL 349 Cb 0.23 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1hjk h VAL 349 CO -0.01 0.14 -0.35 1.56 0.02 0.00 0.00 177.57 178.94 1hjk h GLN 350 N 0.79 -0.87 -0.29 1.57 4.20 -0.88 0.27 115.11 119.90 1hjk h GLN 350 Ca 0.30 0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.13 1hjk h GLN 350 Cb 0.11 0.20 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 1hjk h GLN 350 CO -0.15 -0.58 -0.35 0.00 -0.67 0.00 0.00 178.83 177.08 1hjk h ARG 351 N -0.91 -0.32 -0.49 1.46 2.47 -0.74 0.42 114.38 116.27 1hjk h ARG 351 Ca -0.08 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.76 1hjk h ARG 351 Cb 0.72 0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 29.02 1hjk h ARG 351 CO 0.11 -0.21 -0.13 0.00 0.56 0.00 0.00 179.97 180.30 1hjk h ALA 352 N 0.54 0.31 -0.65 0.04 0.00 -0.45 -1.69 119.26 117.36 1hjk h ALA 352 Ca 0.13 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1hjk h ALA 352 Cb 0.56 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1hjk h ALA 352 CO -0.47 -0.45 0.32 -0.07 0.00 0.00 0.00 179.25 178.58 1hjk h LEU 353 N -0.01 0.82 -0.41 0.00 3.38 0.12 -2.17 115.31 117.05 1hjk h LEU 353 Ca 0.23 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1hjk h LEU 353 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1hjk h LEU 353 CO -0.50 0.69 0.25 -0.08 0.09 0.00 0.00 178.44 178.89 1hjk h GLU 354 N 0.92 0.50 0.33 1.13 4.81 -0.03 -1.06 114.58 121.17 1hjk h GLU 354 Ca 0.23 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1hjk h GLU 354 Cb 0.08 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1hjk h GLU 354 CO -0.03 0.33 -0.16 0.35 -0.73 0.00 0.00 179.01 178.77 1hjk h PHE 355 N 0.52 -0.41 -0.88 0.92 3.57 -1.07 -3.13 116.94 116.45 1hjk h PHE 355 Ca 0.16 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.78 1hjk h PHE 355 Cb -0.02 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 38.76 1hjk h PHE 355 CO -0.06 -0.07 0.50 0.00 -2.23 0.00 0.00 178.31 176.45 1hjk h ALA 356 N -0.30 1.33 -0.64 2.41 0.00 -1.37 0.25 119.26 120.94 1hjk h ALA 356 Ca -0.04 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1hjk h ALA 356 Cb 0.52 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1hjk h ALA 356 CO 0.07 0.02 0.09 -0.22 0.00 0.00 0.00 179.25 179.22 1hjk h LYS 357 N 0.75 0.20 0.10 0.00 3.64 -1.23 0.10 116.57 120.13 1hjk h LYS 357 Ca 0.46 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.59 1hjk h LYS 357 Cb 0.57 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1hjk h LYS 357 CO -0.32 0.13 -1.23 0.87 -2.27 0.00 0.00 179.45 176.64 1hjk h LYS 358 N 0.20 0.20 -0.79 1.90 1.57 -0.70 -3.36 116.57 115.60 1hjk h LYS 358 Ca 0.34 -0.35 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1hjk h LYS 358 Cb 0.54 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 1hjk h LYS 358 CO -0.47 1.17 0.40 1.49 -0.57 0.00 0.00 179.45 181.46 1hjk h GLU 359 N -0.44 0.61 0.00 3.15 4.22 -0.53 -3.46 114.58 118.12 1hjk h GLU 359 Ca -0.27 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1hjk h GLU 359 Cb 1.64 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1hjk h GLU 359 CO 0.03 0.40 0.00 0.41 -2.18 0.00 0.00 179.01 177.67 1hjk n GLY 360 N -1.32 1.96 2.61 1.92 0.00 0.34 -4.81 105.19 105.89 1hjk n GLY 360 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 1hjk n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hjk n ASN 361 N 0.00 2.51 -4.13 1.61 3.02 -1.26 -4.83 115.26 112.18 1hjk n ASN 361 Ca 0.00 -2.54 -0.31 0.00 -0.03 0.00 0.00 54.58 51.70 1hjk n ASN 361 Cb 0.00 -0.44 -0.17 0.00 -0.61 0.00 0.00 39.78 38.56 1hjk n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1hjk s THR 362 N -4.02 1.86 -0.31 3.41 2.01 -1.26 0.35 115.64 117.67 1hjk s THR 362 Ca 0.34 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1hjk s THR 362 Cb 0.35 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1hjk s THR 362 CO -0.02 0.51 0.39 -0.22 -0.69 0.00 0.00 174.62 174.60 1hjk s LEU 363 N 0.82 4.26 -0.12 4.42 2.96 -0.96 -4.30 118.68 125.77 1hjk s LEU 363 Ca -0.08 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1hjk s LEU 363 Cb -0.16 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1hjk s LEU 363 CO -0.01 -0.30 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.97 1hjk s VAL 364 N 2.11 3.75 -0.03 1.68 1.01 0.11 -1.88 120.40 127.15 1hjk s VAL 364 Ca 0.14 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1hjk s VAL 364 Cb -0.16 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1hjk s VAL 364 CO 0.11 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 174.97 1hjk s ILE 365 N -0.09 1.23 -0.05 2.22 1.01 -0.61 -0.22 121.20 124.68 1hjk s ILE 365 Ca 0.01 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1hjk s ILE 365 Cb -0.13 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.30 1hjk s ILE 365 CO 0.03 0.36 -0.08 -0.69 0.00 0.00 0.00 174.94 174.56 1hjk s VAL 366 N -0.00 0.79 0.13 2.92 1.01 0.63 -0.67 120.40 125.21 1hjk s VAL 366 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1hjk s VAL 366 Cb -0.10 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.57 1hjk s VAL 366 CO 0.01 0.28 0.65 1.07 0.00 0.00 0.00 175.10 177.11 1hjk n THR 367 N 3.88 0.00 -4.52 3.92 5.66 -0.74 -1.00 114.28 121.49 1hjk n THR 367 Ca -0.24 -0.38 -0.24 0.00 -3.05 0.00 0.00 64.05 60.14 1hjk n THR 367 Cb 0.51 0.51 -0.10 0.00 -1.55 0.00 0.00 70.33 69.70 1hjk n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hjk s ALA 368 N -1.66 2.74 -0.08 1.79 0.00 -1.26 -0.51 121.76 122.78 1hjk s ALA 368 Ca 0.14 -1.83 0.11 0.00 0.00 0.00 0.00 51.96 50.38 1hjk s ALA 368 Cb -0.02 0.54 -0.24 0.00 0.00 0.00 0.00 23.12 23.40 1hjk s ALA 368 CO 0.04 -0.26 0.54 -0.40 0.00 0.00 0.00 175.76 175.68 1hjk n ASP 369 N -0.88 0.95 -3.76 0.00 5.75 -1.26 -4.95 116.55 112.40 1hjk n ASP 369 Ca -0.05 0.33 -0.07 0.00 -0.01 0.00 0.00 54.79 54.99 1hjk n ASP 369 Cb 0.66 -0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.69 1hjk n ASP 369 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1hjk s HIS 370 N -2.58 -0.10 0.74 2.11 -3.43 -1.26 -4.89 115.29 105.88 1hjk s HIS 370 Ca -0.08 -0.37 -0.08 0.00 -0.80 0.00 0.00 55.06 53.73 1hjk s HIS 370 Cb 0.08 0.68 0.08 0.00 -1.43 0.00 0.00 32.58 31.98 1hjk s HIS 370 CO 0.81 -1.26 1.06 0.00 -2.00 0.00 0.00 174.74 173.36 1hjk s ALA 371 N -3.74 3.04 0.00 -1.38 0.00 -1.24 -3.78 121.76 114.65 1hjk s ALA 371 Ca 0.13 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1hjk s ALA 371 Cb -0.05 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1hjk s ALA 371 CO 0.08 -1.45 0.00 1.58 0.00 0.00 0.00 175.76 175.96 1hjk n HIS 372 N -3.04 0.00 0.12 0.00 -0.00 -1.25 -2.02 115.22 109.03 1hjk n HIS 372 Ca 0.09 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.03 1hjk n HIS 372 Cb 0.60 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.32 1hjk n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hjk h ALA 373 N 1.00 -0.14 -2.36 1.57 0.00 -1.84 -3.37 119.26 114.12 1hjk h ALA 373 Ca 0.00 -0.83 -0.58 0.00 0.00 0.00 0.00 54.91 53.50 1hjk h ALA 373 Cb 0.00 0.17 0.09 0.00 0.00 0.00 0.00 17.79 18.05 1hjk h ALA 373 CO 0.00 0.62 0.55 -1.13 0.00 0.00 0.00 179.25 179.29 1hjk n SER 374 N -3.82 2.66 -4.05 0.00 3.41 -1.26 -4.69 113.62 105.86 1hjk n SER 374 Ca -0.16 1.16 -0.21 0.00 -0.26 0.00 0.00 58.87 59.40 1hjk n SER 374 Cb 1.04 -1.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.40 1hjk n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hjk s GLN 375 N -0.92 0.97 -0.27 4.33 -0.21 -0.55 -4.73 119.66 118.27 1hjk s GLN 375 Ca 0.64 -0.40 -0.21 0.00 0.02 0.00 0.00 55.36 55.41 1hjk s GLN 375 Cb -0.63 -0.93 -0.01 0.00 1.00 0.00 0.00 33.01 32.44 1hjk s GLN 375 CO 0.54 0.22 0.66 0.42 -2.12 0.00 0.00 175.29 175.01 1hjk s ILE 376 N -0.16 4.94 0.39 1.08 1.01 -1.26 -0.76 121.20 126.43 1hjk s ILE 376 Ca 0.03 1.10 0.05 0.00 0.00 0.00 0.00 60.65 61.82 1hjk s ILE 376 Cb -0.06 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1hjk s ILE 376 CO -0.00 -0.06 0.04 0.68 0.00 0.00 0.00 174.94 175.60 1hjk s VAL 377 N 2.61 1.48 0.55 2.92 -7.23 -0.17 -5.00 120.40 115.58 1hjk s VAL 377 Ca 0.27 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.24 1hjk s VAL 377 Cb -0.15 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 1hjk s VAL 377 CO 0.10 0.00 1.24 0.00 -0.31 0.00 0.00 175.10 176.13 1hjk s ALA 378 N -2.99 2.70 0.35 1.32 0.00 -1.26 -3.64 121.76 118.24 1hjk s ALA 378 Ca 0.31 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.41 1hjk s ALA 378 Cb 0.08 -3.47 0.70 0.00 0.00 0.00 0.00 23.12 20.43 1hjk s ALA 378 CO 0.15 -1.12 1.96 -1.35 0.00 0.00 0.00 175.76 175.40 1hjk h PRO 379 N 1.27 0.78 -0.53 0.00 0.11 -1.93 -2.28 132.00 129.41 1hjk h PRO 379 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1hjk h PRO 379 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1hjk h PRO 379 CO 0.57 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.47 1hjk n ASP 380 N -4.48 1.61 -4.75 -2.05 5.68 -1.26 -4.83 116.55 106.47 1hjk n ASP 380 Ca 0.11 -2.12 -0.41 0.00 -0.50 0.00 0.00 54.79 51.87 1hjk n ASP 380 Cb 0.20 -0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 39.82 1hjk n ASP 380 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1hjk s THR 381 N -1.60 3.17 -0.44 2.12 2.01 -0.86 -5.02 115.64 115.03 1hjk s THR 381 Ca 0.13 1.07 -0.07 0.00 0.31 0.00 0.00 61.69 63.14 1hjk s THR 381 Cb 0.09 -3.68 0.11 0.00 0.01 0.00 0.00 72.50 69.02 1hjk s THR 381 CO 0.07 0.21 0.27 -0.54 -0.69 0.00 0.00 174.62 173.94 1hjk s LYS 382 N -0.94 2.33 0.29 4.92 -0.14 -1.26 -4.86 119.74 120.08 1hjk s LYS 382 Ca 0.51 -1.72 0.09 0.00 -1.36 0.00 0.00 55.97 53.49 1hjk s LYS 382 Cb -0.36 -3.76 -0.04 0.00 -1.68 0.00 0.00 37.83 31.99 1hjk s LYS 382 CO 0.43 -1.09 0.04 0.00 -0.76 0.00 0.00 175.35 173.96 1hjk s ALA 383 N 1.29 3.25 0.25 5.17 0.00 -1.26 -5.04 121.76 125.42 1hjk s ALA 383 Ca 0.06 -1.71 0.17 0.00 0.00 0.00 0.00 51.96 50.48 1hjk s ALA 383 Cb -0.24 -0.75 0.71 0.00 0.00 0.00 0.00 23.12 22.83 1hjk s ALA 383 CO -0.02 0.20 1.76 -1.35 0.00 0.00 0.00 175.76 176.36 1hjk h PRO 384 N 1.79 0.00 0.00 0.00 0.11 -1.96 -3.43 132.00 128.52 1hjk h PRO 384 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1hjk h PRO 384 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hjk h PRO 384 CO 0.61 0.39 0.00 0.41 -0.21 0.00 0.00 178.00 179.21 1hjk n GLY 385 N 0.02 1.24 3.46 -0.55 0.00 -1.26 -5.03 105.19 103.07 1hjk n GLY 385 Ca -0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1hjk n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hjk s LEU 386 N 0.00 3.25 0.27 0.99 1.43 -0.87 -3.24 118.68 120.50 1hjk s LEU 386 Ca 0.00 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1hjk s LEU 386 Cb 0.00 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1hjk s LEU 386 CO 0.00 0.09 0.05 0.42 0.23 0.00 0.00 176.35 177.14 1hjk s THR 387 N 0.83 0.89 -0.28 5.49 -4.23 -0.91 -0.70 115.64 116.74 1hjk s THR 387 Ca 0.00 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 1hjk s THR 387 Cb -0.14 -2.58 0.11 0.00 1.34 0.00 0.00 72.50 71.23 1hjk s THR 387 CO 0.02 -0.12 0.87 -1.58 -0.54 0.00 0.00 174.62 173.27 1hjk s GLN 388 N -3.94 0.60 -0.21 3.99 0.74 -0.53 -0.55 119.66 119.76 1hjk s GLN 388 Ca 0.34 0.85 -0.12 0.00 0.05 0.00 0.00 55.36 56.48 1hjk s GLN 388 Cb 0.07 0.21 -0.05 0.00 1.10 0.00 0.00 33.01 34.35 1hjk s GLN 388 CO 0.12 -0.10 0.24 0.00 -0.55 0.00 0.00 175.29 175.01 1hjk s ALA 389 N 0.87 3.60 0.08 1.58 0.00 -1.26 -0.75 121.76 125.89 1hjk s ALA 389 Ca -0.04 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1hjk s ALA 389 Cb -0.05 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1hjk s ALA 389 CO -0.10 -0.13 -0.12 -0.51 0.00 0.00 0.00 175.76 174.91 1hjk s LEU 390 N 0.94 2.96 -0.45 0.00 1.43 0.15 -0.52 118.68 123.19 1hjk s LEU 390 Ca 0.12 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 1hjk s LEU 390 Cb -0.13 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1hjk s LEU 390 CO 0.04 0.21 0.76 0.20 0.23 0.00 0.00 176.35 177.79 1hjk s ASN 391 N -1.94 6.39 0.97 2.29 0.02 0.08 -0.50 114.94 122.26 1hjk s ASN 391 Ca 0.19 -0.16 -0.12 0.00 -1.02 0.00 0.00 52.86 51.75 1hjk s ASN 391 Cb -0.11 -2.37 0.17 0.00 0.02 0.00 0.00 41.25 38.96 1hjk s ASN 391 CO 0.11 -0.89 1.03 0.35 0.02 0.00 0.00 177.10 177.72 1hjk n THR 392 N 6.08 0.00 0.27 1.60 -2.24 -0.60 -4.85 114.28 114.54 1hjk n THR 392 Ca 0.01 -0.82 0.16 0.00 -2.27 0.00 0.00 64.05 61.13 1hjk n THR 392 Cb 0.48 -1.55 0.64 0.00 -2.10 0.00 0.00 70.33 67.80 1hjk n THR 392 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1hjk h LYS 393 N 0.00 0.00 0.00 -0.78 3.64 -1.05 -1.80 116.57 116.58 1hjk h LYS 393 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1hjk h LYS 393 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1hjk h LYS 393 CO 0.24 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 177.21 1hjk n ASP 394 N -3.15 0.01 -1.08 4.20 8.00 -1.26 -4.89 116.55 118.38 1hjk n ASP 394 Ca 0.01 0.50 -0.09 0.00 0.71 0.00 0.00 54.79 55.92 1hjk n ASP 394 Cb 0.33 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1hjk n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hjk n GLY 395 N 0.70 0.08 3.33 0.44 0.00 -0.68 -5.04 105.19 104.02 1hjk n GLY 395 Ca 0.05 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 1hjk n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk s ALA 396 N -2.53 1.95 0.24 4.61 0.00 -1.26 -4.95 121.76 119.82 1hjk s ALA 396 Ca 0.04 -1.51 -0.00 0.00 0.00 0.00 0.00 51.96 50.49 1hjk s ALA 396 Cb -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1hjk s ALA 396 CO 0.05 0.18 0.43 0.14 0.00 0.00 0.00 175.76 176.55 1hjk s VAL 397 N -2.29 5.18 -0.06 0.00 -7.23 -1.26 -1.55 120.40 113.19 1hjk s VAL 397 Ca 0.17 -0.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.96 1hjk s VAL 397 Cb -0.04 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.14 1hjk s VAL 397 CO 0.06 -0.27 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.14 1hjk s MET 398 N -3.58 1.63 -0.25 4.82 0.00 0.35 -4.92 119.30 117.35 1hjk s MET 398 Ca 0.39 -0.44 -0.09 0.00 0.00 0.00 0.00 55.69 55.54 1hjk s MET 398 Cb -0.11 -1.37 -0.04 0.00 0.00 0.00 0.00 34.83 33.31 1hjk s MET 398 CO 0.30 0.09 0.12 0.08 0.00 0.00 0.00 175.02 175.61 1hjk s VAL 399 N 0.46 4.83 -0.11 10.11 1.01 -1.24 0.34 120.40 135.81 1hjk s VAL 399 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1hjk s VAL 399 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1hjk s VAL 399 CO 0.03 0.33 0.06 -0.04 0.00 0.00 0.00 175.10 175.48 1hjk s MET 400 N 1.39 3.24 0.01 2.72 -1.94 0.07 -0.99 119.30 123.80 1hjk s MET 400 Ca 0.06 -0.30 0.06 0.00 -1.71 0.00 0.00 55.69 53.80 1hjk s MET 400 Cb -0.15 -2.97 -0.02 0.00 2.01 0.00 0.00 34.83 33.70 1hjk s MET 400 CO 0.06 0.69 -0.19 0.45 -0.01 0.00 0.00 175.02 176.02 1hjk s SER 401 N -0.82 2.20 -0.17 3.03 0.15 0.06 -1.45 113.70 116.70 1hjk s SER 401 Ca 0.13 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 1hjk s SER 401 Cb -0.12 -0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.03 1hjk s SER 401 CO 0.03 0.18 0.01 -0.31 1.20 0.00 0.00 173.24 174.35 1hjk s TYR 402 N -0.59 1.13 -0.28 3.44 1.51 0.13 -1.48 117.35 121.21 1hjk s TYR 402 Ca 0.07 -0.79 0.20 0.00 -1.01 0.00 0.00 57.07 55.53 1hjk s TYR 402 Cb -0.08 -1.06 0.48 0.00 -0.11 0.00 0.00 41.96 41.20 1hjk s TYR 402 CO 0.00 -0.56 1.23 0.41 -1.11 0.00 0.00 175.55 175.52 1hjk n GLY 403 N 5.02 1.85 0.53 0.71 0.00 -1.26 -2.06 105.19 109.97 1hjk n GLY 403 Ca -0.09 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.19 1hjk n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hjk n ASN 404 N -0.85 3.13 -3.63 1.61 0.23 -1.26 -4.84 115.26 109.66 1hjk n ASN 404 Ca 0.00 -2.85 -0.04 0.00 -0.53 0.00 0.00 54.58 51.15 1hjk n ASN 404 Cb 0.82 -0.43 -0.06 0.00 -2.08 0.00 0.00 39.78 38.03 1hjk n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1hjk s SER 405 N -2.07 -0.83 0.11 0.53 0.15 -1.26 -4.56 113.70 105.76 1hjk s SER 405 Ca 0.34 1.28 0.06 0.00 0.70 0.00 0.00 55.95 58.32 1hjk s SER 405 Cb 0.27 1.48 -0.22 0.00 -1.71 0.00 0.00 66.02 65.84 1hjk s SER 405 CO 0.07 -0.20 1.24 -0.33 1.20 0.00 0.00 173.24 175.22 1hjk h GLU 406 N 6.91 0.04 0.00 5.44 5.08 -1.92 -3.46 114.58 126.66 1hjk h GLU 406 Ca -0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1hjk h GLU 406 Cb 1.19 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1hjk h GLU 406 CO 0.16 1.01 0.00 0.39 -1.00 0.00 0.00 179.01 179.57 1hjk n GLU 407 N -3.37 -0.38 -0.10 2.33 -0.58 -1.26 -4.93 120.64 112.35 1hjk n GLU 407 Ca -0.02 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.60 1hjk n GLU 407 Cb 0.96 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.79 1hjk n GLU 407 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1hjk h ASP 408 N -1.00 0.64 -2.67 1.62 5.19 -1.97 -3.45 116.42 114.79 1hjk h ASP 408 Ca 0.00 -0.41 -0.66 0.00 -0.62 0.00 0.00 57.03 55.33 1hjk h ASP 408 Cb 0.00 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 39.27 1hjk h ASP 408 CO 0.00 0.91 -0.47 -0.44 -3.12 0.00 0.00 179.24 176.12 1hjk s SER 409 N -6.32 6.41 0.07 6.45 0.01 -1.26 -4.85 113.70 114.22 1hjk s SER 409 Ca -0.13 0.49 -0.27 0.00 1.31 0.00 0.00 55.95 57.35 1hjk s SER 409 Cb 0.08 -2.08 -0.06 0.00 0.21 0.00 0.00 66.02 64.18 1hjk s SER 409 CO 0.80 0.40 0.84 -1.10 0.41 0.00 0.00 173.24 174.59 1hjk s GLN 410 N -1.09 4.58 0.49 12.44 -1.52 0.25 -4.68 119.66 130.14 1hjk s GLN 410 Ca 0.16 1.22 -0.21 0.00 -1.95 0.00 0.00 55.36 54.58 1hjk s GLN 410 Cb -0.12 -3.37 -0.07 0.00 -0.22 0.00 0.00 33.01 29.23 1hjk s GLN 410 CO 0.05 0.26 1.12 -1.21 -0.25 0.00 0.00 175.29 175.26 1hjk s GLU 411 N -0.05 3.63 0.73 2.91 0.41 -1.26 -4.31 118.70 120.76 1hjk s GLU 411 Ca 0.42 1.62 -0.11 0.00 -0.41 0.00 0.00 54.97 56.48 1hjk s GLU 411 Cb -0.22 -2.20 0.04 0.00 -1.78 0.00 0.00 34.13 29.97 1hjk s GLU 411 CO 0.26 -0.62 1.09 -1.01 -0.49 0.00 0.00 175.26 174.48 1hjk s HIS 412 N -1.72 2.70 0.32 1.61 3.76 -1.26 -2.71 115.29 117.99 1hjk s HIS 412 Ca 0.68 1.53 0.01 0.00 -0.15 0.00 0.00 55.06 57.13 1hjk s HIS 412 Cb -0.24 -3.03 -0.00 0.00 1.11 0.00 0.00 32.58 30.42 1hjk s HIS 412 CO 0.28 -1.65 0.04 0.25 -0.85 0.00 0.00 174.74 172.82 1hjk n THR 413 N -3.23 0.00 -1.29 1.30 -2.24 -0.86 -4.84 114.28 103.12 1hjk n THR 413 Ca 0.09 -1.63 0.08 0.00 -2.27 0.00 0.00 64.05 60.32 1hjk n THR 413 Cb 0.53 0.44 0.14 0.00 -2.10 0.00 0.00 70.33 69.34 1hjk n THR 413 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hjk n GLY 414 N 0.58 4.46 3.86 3.38 0.00 -1.26 -3.70 105.19 112.52 1hjk n GLY 414 Ca -0.10 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 1hjk n GLY 414 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hjk s SER 415 N -2.76 6.37 0.68 1.61 1.04 -1.26 -4.87 113.70 114.50 1hjk s SER 415 Ca 0.30 1.48 -0.16 0.00 0.48 0.00 0.00 55.95 58.05 1hjk s SER 415 Cb 0.28 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.92 1hjk s SER 415 CO 0.00 -0.77 1.18 0.00 0.98 0.00 0.00 173.24 174.63 1hjk s GLN 416 N -4.77 2.54 0.20 4.02 -2.07 -1.26 -4.42 119.66 113.90 1hjk s GLN 416 Ca 0.56 1.66 -0.01 0.00 -1.82 0.00 0.00 55.36 55.76 1hjk s GLN 416 Cb -0.11 -1.89 -0.04 0.00 -1.09 0.00 0.00 33.01 29.88 1hjk s GLN 416 CO 0.46 -1.51 0.11 -0.48 -1.32 0.00 0.00 175.29 172.55 1hjk s LEU 417 N -4.81 1.34 0.30 2.60 0.05 -1.15 -4.88 118.68 112.13 1hjk s LEU 417 Ca 0.73 -1.36 -0.29 0.00 0.05 0.00 0.00 54.13 53.26 1hjk s LEU 417 Cb -0.27 0.30 -0.13 0.00 -2.05 0.00 0.00 46.19 44.04 1hjk s LEU 417 CO 0.41 -0.80 1.26 -1.14 -0.55 0.00 0.00 176.35 175.53 1hjk n ARG 418 N -0.28 1.92 -3.78 1.48 0.63 -1.26 -1.24 116.66 114.14 1hjk n ARG 418 Ca 0.00 0.68 -0.18 0.00 -0.92 0.00 0.00 57.85 57.43 1hjk n ARG 418 Cb 0.66 -2.23 -0.17 0.00 0.45 0.00 0.00 32.46 31.17 1hjk n ARG 418 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1hjk s ILE 419 N -0.82 0.01 0.04 5.15 1.10 -1.15 -4.34 121.20 121.19 1hjk s ILE 419 Ca 0.59 0.25 0.03 0.00 -0.51 0.00 0.00 60.65 61.01 1hjk s ILE 419 Cb -0.62 -0.18 -0.02 0.00 0.15 0.00 0.00 42.46 41.79 1hjk s ILE 419 CO 0.59 0.14 -0.09 0.00 -2.11 0.00 0.00 174.94 173.47 1hjk s ALA 420 N 1.48 0.69 0.31 1.50 0.00 -0.17 -0.24 121.76 125.33 1hjk s ALA 420 Ca -0.04 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1hjk s ALA 420 Cb -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1hjk s ALA 420 CO -0.03 0.04 0.32 0.00 0.00 0.00 0.00 175.76 176.09 1hjk s ALA 421 N -1.17 1.29 -0.29 0.00 0.00 -0.55 -0.27 121.76 120.77 1hjk s ALA 421 Ca -0.07 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 49.98 1hjk s ALA 421 Cb -0.09 1.34 0.10 0.00 0.00 0.00 0.00 23.12 24.48 1hjk s ALA 421 CO 0.01 -0.70 0.68 -0.47 0.00 0.00 0.00 175.76 175.27 1hjk s TYR 422 N -3.49 -1.18 -0.35 0.00 5.04 0.69 -3.08 117.35 114.99 1hjk s TYR 422 Ca 0.36 2.21 0.00 0.00 -2.44 0.00 0.00 57.07 57.20 1hjk s TYR 422 Cb 0.02 0.71 0.00 0.00 0.35 0.00 0.00 41.96 43.04 1hjk s TYR 422 CO 0.22 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 174.25 1hjk n GLY 423 N 4.77 0.52 3.66 8.97 0.00 -1.26 -0.71 105.19 121.14 1hjk n GLY 423 Ca -0.17 -2.29 -0.50 0.00 0.00 0.00 0.00 46.02 43.06 1hjk n GLY 423 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hjk n PRO 424 N -0.44 1.78 -1.00 1.61 -0.04 -1.26 -1.63 135.00 134.02 1hjk n PRO 424 Ca 0.00 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1hjk n PRO 424 Cb 0.00 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1hjk n PRO 424 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1hjk n HIS 425 N 4.53 0.00 0.24 0.54 8.25 0.73 -4.65 115.22 124.86 1hjk n HIS 425 Ca 0.21 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.80 1hjk n HIS 425 Cb 0.24 -0.07 0.66 0.00 1.12 0.00 0.00 29.99 31.95 1hjk n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hjk h ALA 426 N 0.00 1.00 -0.82 -1.41 0.00 -1.56 -2.13 119.26 114.33 1hjk h ALA 426 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1hjk h ALA 426 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1hjk h ALA 426 CO 0.00 0.00 0.54 0.00 0.00 0.00 0.00 179.25 179.79 1hjk h ALA 427 N 2.05 1.80 0.00 0.00 0.00 -1.88 -2.65 119.26 118.58 1hjk h ALA 427 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hjk h ALA 427 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1hjk h ALA 427 CO 0.00 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.36 1hjk n ASN 428 N -4.52 0.00 -0.00 0.00 3.02 -0.80 -1.21 115.26 111.74 1hjk n ASN 428 Ca 0.15 0.07 0.08 0.00 -0.03 0.00 0.00 54.58 54.84 1hjk n ASN 428 Cb 0.38 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.31 1hjk n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1hjk n VAL 429 N -1.13 0.00 -2.15 2.41 0.24 -1.00 -4.99 118.33 111.72 1hjk n VAL 429 Ca 0.02 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.34 61.65 1hjk n VAL 429 Cb 0.01 0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 1hjk n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1hjk s VAL 430 N -2.82 2.80 0.00 3.34 1.01 -0.35 -3.47 120.40 120.91 1hjk s VAL 430 Ca -0.01 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1hjk s VAL 430 Cb 0.11 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1hjk s VAL 430 CO 0.65 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.51 1hjk n GLY 431 N 0.77 -2.02 3.70 4.51 0.00 -1.26 -4.81 105.19 106.08 1hjk n GLY 431 Ca 0.01 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1hjk n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hjk s LEU 432 N 0.00 4.30 0.19 0.99 2.96 -1.26 -1.65 118.68 124.22 1hjk s LEU 432 Ca 0.00 1.64 -0.02 0.00 -0.22 0.00 0.00 54.13 55.53 1hjk s LEU 432 Cb 0.00 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1hjk s LEU 432 CO 0.00 -0.39 0.14 0.42 -1.32 0.00 0.00 176.35 175.20 1hjk s THR 433 N 1.59 0.02 0.08 3.68 -4.23 -0.61 -4.99 115.64 111.19 1hjk s THR 433 Ca 0.51 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1hjk s THR 433 Cb -0.21 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1hjk s THR 433 CO 0.23 -0.07 0.12 -0.62 -0.54 0.00 0.00 174.62 173.74 1hjk s ASP 434 N -3.13 5.76 0.55 3.99 2.15 -1.26 -0.23 116.67 124.50 1hjk s ASP 434 Ca 0.35 0.06 0.28 0.00 0.43 0.00 0.00 52.55 53.67 1hjk s ASP 434 Cb 0.07 -1.61 1.45 0.00 -0.30 0.00 0.00 42.92 42.52 1hjk s ASP 434 CO 0.10 0.16 1.95 -0.61 -0.17 0.00 0.00 175.17 176.60 1hjk h GLN 435 N 3.13 0.00 0.00 4.34 4.15 -1.64 -0.22 115.11 124.87 1hjk h GLN 435 Ca -0.46 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.91 1hjk h GLN 435 Cb 1.17 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1hjk h GLN 435 CO 0.68 0.00 -0.23 1.79 -1.93 0.00 0.00 178.83 179.15 1hjk h THR 436 N 0.00 0.48 -0.17 2.39 1.35 -1.86 -2.89 112.91 112.22 1hjk h THR 436 Ca 0.30 -1.26 -0.04 0.00 -0.55 0.00 0.00 66.41 64.86 1hjk h THR 436 Cb 1.26 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 1hjk h THR 436 CO -0.00 0.22 -0.06 0.44 -0.25 0.00 0.00 175.52 175.87 1hjk h ASP 437 N 0.00 0.23 -0.86 5.36 3.32 -1.36 -2.44 116.42 120.66 1hjk h ASP 437 Ca -0.00 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.08 1hjk h ASP 437 Cb 0.88 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.32 1hjk h ASP 437 CO 0.03 0.33 0.56 0.25 -1.72 0.00 0.00 179.24 178.69 1hjk h LEU 438 N 0.24 0.85 -0.16 1.55 5.85 -1.54 0.48 115.31 122.57 1hjk h LEU 438 Ca 0.05 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1hjk h LEU 438 Cb 0.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1hjk h LEU 438 CO 0.01 0.54 0.05 0.15 -0.34 0.00 0.00 178.44 178.85 1hjk h PHE 439 N 0.96 0.25 -0.19 1.25 3.57 -1.45 0.01 116.94 121.33 1hjk h PHE 439 Ca 0.37 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 1hjk h PHE 439 Cb 0.23 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1hjk h PHE 439 CO -0.00 0.35 -0.39 1.88 -2.23 0.00 0.00 178.31 177.92 1hjk h TYR 440 N 0.08 0.50 -0.46 0.41 0.05 -1.31 -0.61 116.97 115.64 1hjk h TYR 440 Ca 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1hjk h TYR 440 Cb 0.21 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 1hjk h TYR 440 CO -0.00 0.76 0.19 1.15 -1.05 0.00 0.00 178.16 179.20 1hjk h THR 441 N 0.36 1.20 -0.16 -2.88 2.02 -0.80 -2.45 112.91 110.21 1hjk h THR 441 Ca 0.04 -0.62 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 1hjk h THR 441 Cb 0.84 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1hjk h THR 441 CO 0.07 0.23 -0.50 0.24 0.37 0.00 0.00 175.52 175.92 1hjk h MET 442 N 0.60 0.44 -0.39 6.66 2.86 -0.38 -1.82 114.93 122.89 1hjk h MET 442 Ca 0.15 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1hjk h MET 442 Cb 0.18 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1hjk h MET 442 CO -0.01 0.84 -0.08 -0.22 1.06 0.00 0.00 176.91 178.50 1hjk h LYS 443 N 0.35 0.74 -0.14 1.72 3.64 -1.08 -2.69 116.57 119.10 1hjk h LYS 443 Ca 0.01 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.03 1hjk h LYS 443 Cb 1.01 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1hjk h LYS 443 CO 0.09 0.87 -0.26 0.00 -2.27 0.00 0.00 179.45 177.88 1hjk h ALA 444 N 0.85 0.22 -0.94 5.00 0.00 -1.42 0.60 119.26 123.56 1hjk h ALA 444 Ca 0.10 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.72 1hjk h ALA 444 Cb 0.59 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1hjk h ALA 444 CO 0.04 0.21 0.60 0.00 0.00 0.00 0.00 179.25 180.10 1hjk h ALA 445 N 0.56 1.58 0.00 0.00 0.00 -1.36 0.62 119.26 120.66 1hjk h ALA 445 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1hjk h ALA 445 Cb 0.84 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1hjk h ALA 445 CO 0.06 0.21 -0.05 -0.07 0.00 0.00 0.00 179.25 179.40 1hjk h LEU 446 N 0.95 0.00 0.00 0.00 3.38 -1.52 0.93 115.31 119.05 1hjk h LEU 446 Ca 0.45 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1hjk h LEU 446 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1hjk h LEU 446 CO -0.21 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1hjk n GLY 447 N 1.28 0.42 3.58 0.83 0.00 0.22 -4.90 105.19 106.62 1hjk n GLY 447 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1hjk n GLY 447 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hjk n LEU 448 N 0.00 1.88 0.00 0.99 7.94 0.19 -4.93 117.00 123.08 1hjk n LEU 448 Ca 0.00 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1hjk n LEU 448 Cb 0.12 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 42.78 1hjk n LEU 448 CO 0.00 -1.69 0.00 2.29 -1.11 0.00 0.00 177.39 176.88