#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu1 h HIS 0 N 0.00 0.00 -0.20 0.66 2.07 -2.01 -1.17 115.15 114.49 2pu1 h HIS 0 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2pu1 h HIS 0 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2pu1 h HIS 0 CO 0.00 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.53 2pu1 n MET 1 N -3.28 2.31 -2.34 5.12 2.00 -1.26 -4.50 117.12 115.17 2pu1 n MET 1 Ca -0.02 -1.95 -0.26 0.00 0.00 0.00 0.00 57.70 55.47 2pu1 n MET 1 Cb 0.17 -1.48 0.15 0.00 0.00 0.00 0.00 33.22 32.06 2pu1 n MET 1 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2pu1 s THR 2 N -1.75 2.03 0.04 2.03 -4.23 -0.44 -4.81 115.64 108.50 2pu1 s THR 2 Ca 0.34 -0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.18 2pu1 s THR 2 Cb 0.21 -2.66 -0.08 0.00 1.34 0.00 0.00 72.50 71.31 2pu1 s THR 2 CO 0.31 0.00 1.73 -0.63 -0.54 0.00 0.00 174.62 175.49 2pu1 s ILE 3 N -3.48 3.10 -0.18 2.99 1.01 -0.54 -4.54 121.20 119.55 2pu1 s ILE 3 Ca 0.71 0.39 0.02 0.00 0.00 0.00 0.00 60.65 61.77 2pu1 s ILE 3 Cb -0.04 -3.25 -0.22 0.00 0.01 0.00 0.00 42.46 38.96 2pu1 s ILE 3 CO 0.48 -0.02 0.11 0.00 0.00 0.00 0.00 174.94 175.52 2pu1 n GLN 4 N 6.32 0.69 -3.72 2.79 6.02 0.64 -0.39 117.38 129.73 2pu1 n GLN 4 Ca 0.17 0.19 -0.14 0.00 -0.01 0.00 0.00 57.00 57.21 2pu1 n GLN 4 Cb 0.41 -1.62 -0.09 0.00 1.02 0.00 0.00 30.24 29.97 2pu1 n GLN 4 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2pu1 s LYS 5 N -2.54 0.68 -0.04 -1.09 2.47 -1.05 -4.86 119.74 113.32 2pu1 s LYS 5 Ca -0.24 0.08 0.01 0.00 -1.56 0.00 0.00 55.97 54.25 2pu1 s LYS 5 Cb 0.08 0.31 0.02 0.00 -1.46 0.00 0.00 37.83 36.78 2pu1 s LYS 5 CO 0.71 -0.17 -0.02 0.08 0.16 0.00 0.00 175.35 176.11 2pu1 s VAL 6 N -0.89 0.36 -0.09 4.02 1.01 -1.26 -0.73 120.40 122.81 2pu1 s VAL 6 Ca -0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2pu1 s VAL 6 Cb -0.04 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.96 2pu1 s VAL 6 CO 0.04 0.19 0.23 -2.28 0.00 0.00 0.00 175.10 173.28 2pu1 s HIS 7 N 0.98 -0.29 0.24 5.22 5.04 -0.23 -4.83 115.29 121.42 2pu1 s HIS 7 Ca -0.10 0.70 0.08 0.00 -1.54 0.00 0.00 55.06 54.19 2pu1 s HIS 7 Cb -0.14 0.04 -0.04 0.00 0.04 0.00 0.00 32.58 32.48 2pu1 s HIS 7 CO -0.01 -0.19 0.11 0.20 -2.34 0.00 0.00 174.74 172.51 2pu1 s GLY 8 N 0.94 1.55 0.03 1.59 0.00 -1.26 -0.57 107.32 109.60 2pu1 s GLY 8 Ca -0.07 -1.45 -0.15 0.00 0.00 0.00 0.00 44.72 43.04 2pu1 s GLY 8 CO -0.06 -1.50 0.34 1.09 0.00 0.00 0.00 173.10 172.98 2pu1 s ARG 9 N -3.60 0.82 -0.09 2.90 1.70 -0.20 -4.92 118.95 115.57 2pu1 s ARG 9 Ca 0.32 -0.40 -0.28 0.00 -0.47 0.00 0.00 55.73 54.89 2pu1 s ARG 9 Cb -0.08 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 2pu1 s ARG 9 CO 0.23 -0.26 0.94 -2.00 -1.08 0.00 0.00 175.30 173.12 2pu1 s GLU 10 N -2.31 4.44 0.34 3.89 2.12 -1.26 -1.42 118.70 124.50 2pu1 s GLU 10 Ca -0.07 1.28 0.04 0.00 0.36 0.00 0.00 54.97 56.58 2pu1 s GLU 10 Cb -0.02 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 2pu1 s GLU 10 CO -0.02 -0.21 0.06 0.14 -0.54 0.00 0.00 175.26 174.70 2pu1 s VAL 11 N 1.66 1.16 -0.06 3.70 -7.23 -0.53 -4.94 120.40 114.15 2pu1 s VAL 11 Ca 0.46 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 2pu1 s VAL 11 Cb -0.19 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 2pu1 s VAL 11 CO 0.19 0.00 0.25 -0.76 -0.31 0.00 0.00 175.10 174.47 2pu1 s LEU 12 N -3.52 4.41 0.00 1.32 1.43 -1.26 0.83 118.68 121.89 2pu1 s LEU 12 Ca 0.34 0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 54.04 2pu1 s LEU 12 Cb 0.08 -2.34 0.15 0.00 0.03 0.00 0.00 46.19 44.11 2pu1 s LEU 12 CO 0.15 0.35 1.01 -0.90 0.23 0.00 0.00 176.35 177.20 2pu1 n ASP 13 N 1.77 0.96 0.00 2.29 5.68 0.63 -4.86 116.55 123.02 2pu1 n ASP 13 Ca -0.17 -1.90 0.10 0.00 -0.50 0.00 0.00 54.79 52.33 2pu1 n ASP 13 Cb 0.54 -0.69 0.47 0.00 -1.14 0.00 0.00 41.12 40.29 2pu1 n ASP 13 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2pu1 n SER 14 N -3.14 0.00 -1.05 -1.12 3.41 0.44 -0.33 113.62 111.82 2pu1 n SER 14 Ca 0.15 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 2pu1 n SER 14 Cb 0.55 -0.44 0.21 0.00 -0.26 0.00 0.00 64.21 64.27 2pu1 n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pu1 n ARG 15 N -1.44 2.39 -1.02 4.33 1.74 -1.26 -4.97 116.66 116.44 2pu1 n ARG 15 Ca 0.06 -2.09 -0.01 0.00 -0.77 0.00 0.00 57.85 55.05 2pu1 n ARG 15 Cb 0.22 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2pu1 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pu1 n GLY 16 N 1.44 0.47 3.88 -0.13 0.00 0.55 -5.05 105.19 106.35 2pu1 n GLY 16 Ca 0.18 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2pu1 n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pu1 s ASN 17 N -2.38 6.57 0.52 1.61 0.01 -1.26 -4.77 114.94 115.24 2pu1 s ASN 17 Ca 0.00 0.69 -0.22 0.00 -0.71 0.00 0.00 52.86 52.62 2pu1 s ASN 17 Cb 0.00 -2.14 -0.06 0.00 0.41 0.00 0.00 41.25 39.47 2pu1 s ASN 17 CO 0.00 0.14 1.35 -2.84 -1.51 0.00 0.00 177.10 174.24 2pu1 s PRO 18 N -2.14 3.29 0.21 -0.60 0.02 -1.26 -0.27 135.00 134.25 2pu1 s PRO 18 Ca 0.35 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.61 2pu1 s PRO 18 Cb -0.13 -2.34 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 2pu1 s PRO 18 CO 0.20 -1.07 0.24 -2.37 -0.33 0.00 0.00 177.00 173.67 2pu1 n THR 19 N -0.84 0.00 -4.13 0.99 5.66 0.24 -4.76 114.28 111.45 2pu1 n THR 19 Ca 0.09 -1.28 -0.35 0.00 -3.05 0.00 0.00 64.05 59.46 2pu1 n THR 19 Cb 0.45 0.71 -0.09 0.00 -1.55 0.00 0.00 70.33 69.85 2pu1 n THR 19 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2pu1 s VAL 20 N -2.74 4.79 0.05 1.08 1.01 -1.26 -1.45 120.40 121.87 2pu1 s VAL 20 Ca 0.21 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2pu1 s VAL 20 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2pu1 s VAL 20 CO 0.15 0.57 -0.19 -0.70 0.00 0.00 0.00 175.10 174.93 2pu1 s GLU 21 N -0.57 1.22 -0.03 2.72 2.12 -0.51 -0.85 118.70 122.80 2pu1 s GLU 21 Ca 0.11 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 54.58 2pu1 s GLU 21 Cb -0.12 -1.31 -0.01 0.00 0.26 0.00 0.00 34.13 32.95 2pu1 s GLU 21 CO 0.02 0.33 -0.15 0.08 -0.54 0.00 0.00 175.26 175.01 2pu1 s VAL 22 N -0.85 1.20 -0.16 3.70 1.01 0.03 -1.04 120.40 124.29 2pu1 s VAL 22 Ca 0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2pu1 s VAL 22 Cb -0.09 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2pu1 s VAL 22 CO 0.02 0.35 -0.13 -1.61 0.00 0.00 0.00 175.10 173.73 2pu1 s GLU 23 N -0.09 3.31 -0.23 2.72 2.02 0.26 -0.74 118.70 125.95 2pu1 s GLU 23 Ca 0.00 -0.70 -0.08 0.00 0.02 0.00 0.00 54.97 54.21 2pu1 s GLU 23 Cb -0.09 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 2pu1 s GLU 23 CO 0.01 0.06 0.09 0.08 0.02 0.00 0.00 175.26 175.52 2pu1 s VAL 24 N 0.74 4.77 -0.14 2.63 1.01 -0.13 -1.07 120.40 128.21 2pu1 s VAL 24 Ca -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2pu1 s VAL 24 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2pu1 s VAL 24 CO 0.01 0.38 -0.00 -0.89 0.00 0.00 0.00 175.10 174.60 2pu1 s THR 25 N 1.07 4.25 0.39 3.92 2.01 0.09 -0.74 115.64 126.62 2pu1 s THR 25 Ca 0.05 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2pu1 s THR 25 Cb -0.14 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 2pu1 s THR 25 CO 0.04 0.51 0.13 0.35 -0.69 0.00 0.00 174.62 174.96 2pu1 n THR 26 N 3.16 0.00 0.29 -0.82 -2.24 -0.51 -0.26 114.28 113.90 2pu1 n THR 26 Ca -0.17 -2.22 0.17 0.00 -2.27 0.00 0.00 64.05 59.56 2pu1 n THR 26 Cb 0.53 0.78 0.86 0.00 -2.10 0.00 0.00 70.33 70.39 2pu1 n THR 26 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2pu1 h GLU 27 N 0.00 0.00 0.00 -0.78 4.11 -1.80 -1.61 114.58 114.50 2pu1 h GLU 27 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2pu1 h GLU 27 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2pu1 h GLU 27 CO 0.48 0.00 -0.27 1.63 0.07 0.00 0.00 179.01 180.92 2pu1 n LYS 28 N -2.77 0.20 -0.58 1.06 4.76 -1.26 -5.04 118.16 114.53 2pu1 n LYS 28 Ca -0.01 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2pu1 n LYS 28 Cb 0.13 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2pu1 n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pu1 n GLY 29 N 1.37 0.76 3.32 0.72 0.00 -0.61 -5.06 105.19 105.69 2pu1 n GLY 29 Ca 0.05 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 2pu1 n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pu1 s VAL 30 N -2.98 3.27 -0.22 1.61 1.01 -1.26 -1.42 120.40 120.41 2pu1 s VAL 30 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2pu1 s VAL 30 Cb 0.00 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.93 2pu1 s VAL 30 CO 0.00 0.45 -0.10 -0.36 0.00 0.00 0.00 175.10 175.09 2pu1 s PHE 31 N 1.25 2.97 -0.11 5.22 0.40 0.08 -4.97 117.98 122.82 2pu1 s PHE 31 Ca 0.03 -1.45 0.02 0.00 -0.60 0.00 0.00 56.93 54.94 2pu1 s PHE 31 Cb -0.14 -2.03 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 2pu1 s PHE 31 CO -0.02 -0.71 -0.20 0.50 0.70 0.00 0.00 175.22 175.49 2pu1 s ARG 32 N 1.35 3.17 0.00 0.44 3.52 -1.26 -0.95 118.95 125.21 2pu1 s ARG 32 Ca 0.03 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 2pu1 s ARG 32 Cb -0.15 -2.43 -0.01 0.00 -1.56 0.00 0.00 34.95 30.80 2pu1 s ARG 32 CO -0.06 0.18 -0.07 -1.12 -0.81 0.00 0.00 175.30 173.41 2pu1 s SER 33 N 0.38 0.79 0.13 -2.12 0.01 0.08 -4.94 113.70 108.03 2pu1 s SER 33 Ca -0.15 -0.17 0.10 0.00 1.31 0.00 0.00 55.95 57.04 2pu1 s SER 33 Cb -0.17 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 2pu1 s SER 33 CO 0.07 0.05 -0.25 0.00 0.41 0.00 0.00 173.24 173.53 2pu1 s ALA 34 N -0.29 2.22 -0.19 1.44 0.00 -1.26 -0.79 121.76 122.89 2pu1 s ALA 34 Ca 0.01 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.44 2pu1 s ALA 34 Cb -0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2pu1 s ALA 34 CO -0.00 0.46 0.14 0.08 0.00 0.00 0.00 175.76 176.44 2pu1 s VAL 35 N -1.22 5.41 0.94 0.00 1.01 -0.02 -4.91 120.40 121.60 2pu1 s VAL 35 Ca 0.13 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 2pu1 s VAL 35 Cb -0.10 -3.48 0.20 0.00 0.00 0.00 0.00 36.38 33.01 2pu1 s VAL 35 CO 0.06 0.45 1.29 -2.16 0.00 0.00 0.00 175.10 174.74 2pu1 s PRO 36 N 0.27 0.69 -0.14 2.72 0.04 -1.26 -4.47 135.00 132.85 2pu1 s PRO 36 Ca 0.09 -0.52 -0.06 0.00 0.04 0.00 0.00 61.00 60.54 2pu1 s PRO 36 Cb -0.11 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.59 2pu1 s PRO 36 CO -0.01 -2.35 0.32 0.45 0.04 0.00 0.00 177.00 175.45 2pu1 s SER 37 N -4.89 -0.18 0.60 6.66 0.15 0.74 -5.01 113.70 111.77 2pu1 s SER 37 Ca 0.74 0.71 -0.14 0.00 0.70 0.00 0.00 55.95 57.96 2pu1 s SER 37 Cb -0.04 0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 2pu1 s SER 37 CO 0.52 -0.20 1.04 -0.83 1.20 0.00 0.00 173.24 174.97 2pu1 s GLY 38 N 1.78 1.93 -0.21 9.45 0.00 -1.26 -0.76 107.32 118.25 2pu1 s GLY 38 Ca -0.06 0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.73 2pu1 s GLY 38 CO -0.10 0.49 -0.29 0.00 0.00 0.00 0.00 173.10 173.19 2pu1 n ALA 39 N -2.29 1.47 -2.04 3.20 0.00 -1.26 -4.68 120.51 114.90 2pu1 n ALA 39 Ca 0.07 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 2pu1 n ALA 39 Cb 0.53 0.18 -0.00 0.00 0.00 0.00 0.00 19.45 20.16 2pu1 n ALA 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pu1 n SER 40 N -4.08 5.46 -4.74 0.00 3.41 -1.26 -4.98 113.62 107.42 2pu1 n SER 40 Ca -0.38 -3.00 -0.40 0.00 -0.26 0.00 0.00 58.87 54.83 2pu1 n SER 40 Cb 0.73 -1.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.12 2pu1 n SER 40 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2pu1 s THR 41 N 1.08 4.57 0.54 6.66 -4.23 -1.26 -4.98 115.64 118.01 2pu1 s THR 41 Ca 0.46 1.87 -0.21 0.00 -1.18 0.00 0.00 61.69 62.63 2pu1 s THR 41 Cb 0.13 -4.23 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 2pu1 s THR 41 CO -0.04 0.36 1.24 -0.83 -0.54 0.00 0.00 174.62 174.81 2pu1 s GLY 42 N -0.14 2.80 0.59 3.99 0.00 -1.26 -4.91 107.32 108.39 2pu1 s GLY 42 Ca 0.43 1.09 0.33 0.00 0.00 0.00 0.00 44.72 46.56 2pu1 s GLY 42 CO 0.27 1.54 2.22 -0.39 0.00 0.00 0.00 173.10 176.74 2pu1 h VAL 43 N 1.35 0.40 -0.51 1.40 -1.51 -1.95 -2.39 116.25 113.03 2pu1 h VAL 43 Ca -0.50 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 2pu1 h VAL 43 Cb 1.28 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2pu1 h VAL 43 CO 0.57 0.03 0.00 -1.22 -1.23 0.00 0.00 177.57 175.73 2pu1 n TYR 44 N -3.58 0.67 -2.27 5.19 4.02 -1.26 -4.96 117.16 114.97 2pu1 n TYR 44 Ca -0.02 -0.34 -0.35 0.00 -0.01 0.00 0.00 57.90 57.18 2pu1 n TYR 44 Cb 0.13 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.45 2pu1 n TYR 44 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2pu1 s GLU 45 N -1.33 3.39 0.64 -0.72 2.02 -0.90 -4.95 118.70 116.85 2pu1 s GLU 45 Ca 0.40 1.55 -0.18 0.00 0.02 0.00 0.00 54.97 56.76 2pu1 s GLU 45 Cb 0.22 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 2pu1 s GLU 45 CO 0.29 -0.81 1.01 0.00 0.02 0.00 0.00 175.26 175.77 2pu1 n ALA 46 N -1.34 0.22 -1.76 5.21 0.00 -0.46 -4.86 120.51 117.53 2pu1 n ALA 46 Ca 0.11 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2pu1 n ALA 46 Cb 0.51 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 2pu1 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pu1 s GLU 48 N 4.17 3.16 -0.29 0.00 2.12 -1.26 -0.09 118.70 126.51 2pu1 s GLU 48 Ca 0.84 -0.69 -0.22 0.00 0.36 0.00 0.00 54.97 55.26 2pu1 s GLU 48 Cb -0.41 -4.00 -0.01 0.00 0.26 0.00 0.00 34.13 29.97 2pu1 s GLU 48 CO 0.38 -1.02 0.73 -1.17 -0.54 0.00 0.00 175.26 173.64 2pu1 s LEU 49 N 2.49 4.09 0.27 2.70 2.96 -1.26 -5.02 118.68 124.91 2pu1 s LEU 49 Ca 0.16 0.67 0.11 0.00 -0.22 0.00 0.00 54.13 54.85 2pu1 s LEU 49 Cb -0.17 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 2pu1 s LEU 49 CO 0.15 -0.52 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.40 2pu1 s ARG 50 N 2.77 1.91 0.11 1.98 0.52 -1.26 -4.60 118.95 120.37 2pu1 s ARG 50 Ca 0.30 -1.61 -0.04 0.00 -0.52 0.00 0.00 55.73 53.86 2pu1 s ARG 50 Cb -0.15 -1.93 -0.18 0.00 0.52 0.00 0.00 34.95 33.21 2pu1 s ARG 50 CO 0.11 0.35 1.23 -0.44 0.02 0.00 0.00 175.30 176.57 2pu1 h ASP 51 N 2.22 0.46 -0.33 0.23 3.32 -1.15 -3.48 116.42 117.69 2pu1 h ASP 51 Ca -0.42 -0.43 -0.14 0.00 0.02 0.00 0.00 57.03 56.06 2pu1 h ASP 51 Cb 1.25 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.60 2pu1 h ASP 51 CO 0.59 1.28 -0.13 0.61 -1.72 0.00 0.00 179.24 179.87 2pu1 n GLY 52 N 1.23 0.90 3.50 2.75 0.00 -0.27 -4.99 105.19 108.31 2pu1 n GLY 52 Ca -0.07 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 2pu1 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pu1 s ASP 53 N -2.93 6.31 0.58 1.61 -1.08 -1.26 -4.71 116.67 115.20 2pu1 s ASP 53 Ca 0.00 -0.49 0.28 0.00 -0.52 0.00 0.00 52.55 51.83 2pu1 s ASP 53 Cb 0.00 -2.35 1.69 0.00 -1.46 0.00 0.00 42.92 40.80 2pu1 s ASP 53 CO 0.00 -0.96 2.16 0.11 0.52 0.00 0.00 175.17 177.01 2pu1 h LYS 54 N 9.05 0.00 0.00 4.34 1.79 -1.91 0.73 116.57 130.57 2pu1 h LYS 54 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2pu1 h LYS 54 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2pu1 h LYS 54 CO 0.98 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.98 2pu1 n LYS 55 N -3.88 0.22 -3.93 3.15 5.02 -1.26 -3.95 118.16 113.53 2pu1 n LYS 55 Ca -0.00 0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 56.06 2pu1 n LYS 55 Cb 0.22 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.56 2pu1 n LYS 55 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2pu1 s ARG 56 N -2.76 1.49 -1.35 1.97 0.52 -0.47 -4.87 118.95 113.47 2pu1 s ARG 56 Ca 0.20 -0.24 -0.07 0.00 -0.52 0.00 0.00 55.73 55.10 2pu1 s ARG 56 Cb 0.18 -1.55 0.04 0.00 0.52 0.00 0.00 34.95 34.14 2pu1 s ARG 56 CO 0.44 -0.26 0.48 0.66 0.02 0.00 0.00 175.30 176.65 2pu1 n TYR 57 N 4.90 -1.81 -3.99 -0.53 4.01 -1.26 -1.46 117.16 117.02 2pu1 n TYR 57 Ca -0.13 0.45 -0.34 0.00 -0.16 0.00 0.00 57.90 57.72 2pu1 n TYR 57 Cb 0.50 -3.43 0.01 0.00 -0.31 0.00 0.00 39.34 36.11 2pu1 n TYR 57 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2pu1 n VAL 58 N -4.08 -1.81 -0.98 -0.72 0.31 -1.25 -1.24 118.33 108.56 2pu1 n VAL 58 Ca -0.06 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2pu1 n VAL 58 Cb 0.57 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 2pu1 n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pu1 n GLY 59 N -1.78 0.32 1.42 2.92 0.00 0.13 -4.83 105.19 103.37 2pu1 n GLY 59 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.04 2pu1 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pu1 n LYS 60 N -1.39 3.14 -1.28 1.61 5.02 -0.38 -1.11 118.16 123.78 2pu1 n LYS 60 Ca 0.00 -2.63 -0.35 0.00 -2.02 0.00 0.00 58.31 53.31 2pu1 n LYS 60 Cb 0.19 -1.72 0.09 0.00 -0.02 0.00 0.00 35.03 33.57 2pu1 n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pu1 n GLY 61 N 1.35 -0.66 0.59 0.72 0.00 -1.26 -4.37 105.19 101.57 2pu1 n GLY 61 Ca 0.24 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.93 2pu1 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu1 h LEU 63 N 0.80 0.78 -0.22 0.00 3.38 -1.92 -0.23 115.31 117.90 2pu1 h LEU 63 Ca 0.04 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2pu1 h LEU 63 Cb 1.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2pu1 h LEU 63 CO 0.09 0.49 0.02 -0.61 0.09 0.00 0.00 178.44 178.52 2pu1 h GLN 64 N 0.91 0.37 -0.85 1.13 5.75 -1.92 0.23 115.11 120.74 2pu1 h GLN 64 Ca 0.37 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.80 2pu1 h GLN 64 Cb 0.21 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 2pu1 h GLN 64 CO -0.19 0.53 0.54 0.00 -2.65 0.00 0.00 178.83 177.06 2pu1 h ALA 65 N 0.83 1.12 -0.46 3.38 0.00 -1.76 0.61 119.26 122.98 2pu1 h ALA 65 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pu1 h ALA 65 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2pu1 h ALA 65 CO 0.01 0.36 0.16 0.28 0.00 0.00 0.00 179.25 180.06 2pu1 h VAL 66 N 1.04 1.21 -0.89 0.00 2.07 -0.81 -1.41 116.25 117.47 2pu1 h VAL 66 Ca 0.34 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2pu1 h VAL 66 Cb 0.03 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2pu1 h VAL 66 CO -0.13 0.25 0.49 0.50 0.02 0.00 0.00 177.57 178.71 2pu1 h LYS 67 N 0.60 1.23 -0.86 1.57 3.64 0.05 0.55 116.57 123.36 2pu1 h LYS 67 Ca 0.15 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2pu1 h LYS 67 Cb 0.23 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 2pu1 h LYS 67 CO -0.01 0.90 0.55 -0.91 -2.27 0.00 0.00 179.45 177.71 2pu1 h ASN 68 N 1.24 0.91 0.35 4.20 2.35 -0.48 0.30 115.58 124.44 2pu1 h ASN 68 Ca 0.31 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2pu1 h ASN 68 Cb 0.02 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2pu1 h ASN 68 CO -0.05 0.62 -0.17 0.58 -1.65 0.00 0.00 177.43 176.76 2pu1 h VAL 69 N 1.06 0.67 -0.15 2.81 2.07 -0.71 -0.21 116.25 121.80 2pu1 h VAL 69 Ca 0.34 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.58 2pu1 h VAL 69 Cb 0.03 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2pu1 h VAL 69 CO -0.12 0.04 -0.36 0.78 0.02 0.00 0.00 177.57 177.93 2pu1 h ASN 70 N -0.57 0.31 0.00 0.57 -0.26 -0.50 0.23 115.58 115.37 2pu1 h ASN 70 Ca -0.05 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 2pu1 h ASN 70 Cb 0.42 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2pu1 h ASN 70 CO 0.08 0.65 -1.31 -0.62 -1.06 0.00 0.00 177.43 175.17 2pu1 n GLU 71 N -4.07 1.04 0.05 0.81 1.02 0.10 -4.42 120.64 115.17 2pu1 n GLU 71 Ca -0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2pu1 n GLU 71 Cb 0.45 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 2pu1 n GLU 71 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2pu1 n VAL 72 N -1.76 0.92 -0.03 2.62 0.31 -0.67 -4.74 118.33 114.98 2pu1 n VAL 72 Ca -0.01 0.30 -0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2pu1 n VAL 72 Cb 0.28 -1.46 -0.11 0.00 -0.91 0.00 0.00 33.84 31.64 2pu1 n VAL 72 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2pu1 h ILE 73 N 0.00 1.56 0.02 2.52 2.04 -1.08 -3.18 117.51 119.39 2pu1 h ILE 73 Ca 0.00 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 63.99 2pu1 h ILE 73 Cb 0.15 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 2pu1 h ILE 73 CO 0.00 0.51 -0.08 1.23 0.00 0.00 0.00 178.15 179.81 2pu1 h GLY 74 N -0.56 -0.11 0.99 5.37 0.00 -0.74 -2.28 103.07 105.74 2pu1 h GLY 74 Ca -0.02 0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.50 2pu1 h GLY 74 CO 0.04 -0.08 0.43 -2.55 0.00 0.00 0.00 176.54 174.37 2pu1 h PRO 75 N -0.15 0.47 -0.12 4.80 0.11 -1.77 -0.47 132.00 134.87 2pu1 h PRO 75 Ca 0.02 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 2pu1 h PRO 75 Cb 0.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2pu1 h PRO 75 CO -0.06 0.31 -0.12 0.00 -0.21 0.00 0.00 178.00 177.91 2pu1 h ALA 76 N 1.67 1.57 0.00 -0.75 0.00 -1.40 -3.17 119.26 117.18 2pu1 h ALA 76 Ca 0.30 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2pu1 h ALA 76 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2pu1 h ALA 76 CO -0.09 0.31 -0.82 -0.07 0.00 0.00 0.00 179.25 178.58 2pu1 h LEU 77 N 0.18 0.00 -9.63 0.00 3.38 -0.61 -3.46 115.31 105.17 2pu1 h LEU 77 Ca 0.04 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.49 2pu1 h LEU 77 Cb 0.34 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.14 2pu1 h LEU 77 CO 0.02 0.30 1.04 -0.63 0.09 0.00 0.00 178.44 179.26 2pu1 s ILE 78 N -3.10 2.12 0.00 1.22 -1.09 -0.95 -1.29 121.20 118.11 2pu1 s ILE 78 Ca 0.01 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 2pu1 s ILE 78 Cb 0.08 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 2pu1 s ILE 78 CO 0.76 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 175.08 2pu1 n GLY 79 N 4.04 0.79 3.88 6.18 0.00 0.47 -4.98 105.19 115.58 2pu1 n GLY 79 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2pu1 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pu1 s ARG 80 N -0.36 3.74 -0.57 1.61 1.81 -0.41 -4.71 118.95 120.07 2pu1 s ARG 80 Ca 0.00 0.24 -0.27 0.00 -1.72 0.00 0.00 55.73 53.98 2pu1 s ARG 80 Cb 0.00 -2.57 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 2pu1 s ARG 80 CO 0.00 0.18 1.54 0.34 -0.68 0.00 0.00 175.30 176.68 2pu1 s ASP 81 N -2.86 5.91 0.66 0.23 -1.08 -1.26 -1.47 116.67 116.79 2pu1 s ASP 81 Ca 0.47 0.33 0.40 0.00 -0.52 0.00 0.00 52.55 53.23 2pu1 s ASP 81 Cb -0.11 -2.54 2.22 0.00 -1.46 0.00 0.00 42.92 41.03 2pu1 s ASP 81 CO 0.27 -1.88 2.28 1.05 0.52 0.00 0.00 175.17 177.41 2pu1 h GLU 82 N 12.06 0.00 0.00 4.34 9.09 -1.92 -2.17 114.58 135.98 2pu1 h GLU 82 Ca -0.27 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.13 2pu1 h GLU 82 Cb 1.11 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.21 2pu1 h GLU 82 CO 1.18 0.00 -0.03 -0.07 0.05 0.00 0.00 179.01 180.15 2pu1 h LEU 83 N 0.00 0.00 -6.17 3.06 3.38 -1.91 -3.36 115.31 110.31 2pu1 h LEU 83 Ca 0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.23 2pu1 h LEU 83 Cb 0.13 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 2pu1 h LEU 83 CO -0.00 0.03 2.31 0.29 0.09 0.00 0.00 178.44 181.15 2pu1 n LYS 84 N -3.24 3.72 0.14 1.13 4.76 -0.82 -4.78 118.16 119.07 2pu1 n LYS 84 Ca -0.02 -3.35 -0.13 0.00 -2.87 0.00 0.00 58.31 51.94 2pu1 n LYS 84 Cb 0.17 -2.90 -0.06 0.00 -1.84 0.00 0.00 35.03 30.40 2pu1 n LYS 84 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2pu1 h GLN 85 N 5.52 -0.44 -0.39 1.97 5.75 -1.86 -0.07 115.11 125.59 2pu1 h GLN 85 Ca 0.49 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 59.02 2pu1 h GLN 85 Cb 0.55 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2pu1 h GLN 85 CO 1.64 -0.29 0.24 1.49 -2.65 0.00 0.00 178.83 179.26 2pu1 h GLU 86 N -0.45 0.52 -0.44 1.69 4.81 -1.96 0.37 114.58 119.12 2pu1 h GLU 86 Ca 0.01 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2pu1 h GLU 86 Cb 0.44 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2pu1 h GLU 86 CO -0.07 0.37 0.21 1.49 -0.73 0.00 0.00 179.01 180.28 2pu1 h GLU 87 N 0.52 0.41 -0.09 1.92 4.81 -1.90 0.75 114.58 120.99 2pu1 h GLU 87 Ca 0.14 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.11 2pu1 h GLU 87 Cb -0.02 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.28 2pu1 h GLU 87 CO -0.03 0.27 -0.87 -0.07 -0.73 0.00 0.00 179.01 177.58 2pu1 h LEU 88 N 0.42 0.91 -0.45 1.64 3.38 -0.71 -0.12 115.31 120.37 2pu1 h LEU 88 Ca 0.19 -0.68 0.05 0.00 0.09 0.00 0.00 57.88 57.53 2pu1 h LEU 88 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2pu1 h LEU 88 CO -0.15 1.45 0.19 0.44 0.09 0.00 0.00 178.44 180.47 2pu1 h ASP 89 N 0.45 0.25 -0.79 -0.43 3.32 -0.87 -0.77 116.42 117.57 2pu1 h ASP 89 Ca -0.08 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2pu1 h ASP 89 Cb 1.51 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.02 2pu1 h ASP 89 CO 0.18 0.18 0.38 0.74 -1.72 0.00 0.00 179.24 179.00 2pu1 h THR 90 N 0.39 1.25 -0.64 0.35 2.02 -0.72 0.13 112.91 115.69 2pu1 h THR 90 Ca 0.20 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.74 2pu1 h THR 90 Cb 0.16 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 2pu1 h THR 90 CO -0.18 0.29 0.36 0.25 0.37 0.00 0.00 175.52 176.62 2pu1 h LEU 91 N 1.11 0.54 -0.60 2.58 5.85 -0.56 -0.28 115.31 123.96 2pu1 h LEU 91 Ca 0.27 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.90 2pu1 h LEU 91 Cb 0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2pu1 h LEU 91 CO -0.03 0.36 -0.18 0.24 -0.34 0.00 0.00 178.44 178.48 2pu1 h MET 92 N 0.67 0.92 -0.38 1.25 2.86 -0.48 0.24 114.93 120.01 2pu1 h MET 92 Ca 0.28 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2pu1 h MET 92 Cb 0.15 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 2pu1 h MET 92 CO -0.16 1.02 0.11 -0.07 1.06 0.00 0.00 176.91 178.87 2pu1 h LEU 93 N 0.81 0.09 -0.72 1.22 3.38 -0.49 -1.60 115.31 118.00 2pu1 h LEU 93 Ca 0.11 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 2pu1 h LEU 93 Cb 0.73 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2pu1 h LEU 93 CO 0.06 0.09 -0.54 0.03 0.09 0.00 0.00 178.44 178.16 2pu1 h ARG 94 N 0.25 0.27 -0.84 1.13 2.47 -0.56 -0.09 114.38 117.03 2pu1 h ARG 94 Ca 0.18 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2pu1 h ARG 94 Cb 0.18 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 2pu1 h ARG 94 CO -0.21 0.75 0.53 -0.07 0.56 0.00 0.00 179.97 181.54 2pu1 h LEU 95 N 0.21 0.98 0.10 3.04 3.38 -0.15 -3.10 115.31 119.77 2pu1 h LEU 95 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2pu1 h LEU 95 Cb 1.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2pu1 h LEU 95 CO 0.09 0.73 -0.05 -0.78 0.09 0.00 0.00 178.44 178.52 2pu1 h ASP 96 N 1.14 -0.12 0.00 -0.43 1.82 -1.11 -3.48 116.42 114.24 2pu1 h ASP 96 Ca 0.30 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2pu1 h ASP 96 Cb -0.10 0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.95 2pu1 h ASP 96 CO -0.06 0.32 0.00 0.61 -1.61 0.00 0.00 179.24 178.50 2pu1 n GLY 97 N 0.06 0.82 3.31 -0.78 0.00 -0.06 -4.66 105.19 103.87 2pu1 n GLY 97 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 2pu1 n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pu1 s THR 98 N -3.21 1.79 0.39 2.61 -4.23 -1.26 -5.05 115.64 106.68 2pu1 s THR 98 Ca 0.00 -1.65 0.17 0.00 -1.18 0.00 0.00 61.69 59.02 2pu1 s THR 98 Cb 0.00 -1.67 0.17 0.00 1.34 0.00 0.00 72.50 72.34 2pu1 s THR 98 CO 0.00 -0.11 1.92 -0.65 -0.54 0.00 0.00 174.62 175.24 2pu1 h PRO 99 N 3.85 0.00 -0.56 3.99 0.11 -1.96 -3.03 132.00 134.40 2pu1 h PRO 99 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pu1 h PRO 99 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2pu1 h PRO 99 CO 0.42 0.26 0.00 0.27 -0.21 0.00 0.00 178.00 178.74 2pu1 n ASN 100 N -4.03 3.94 -3.46 -2.05 6.94 -1.26 -4.95 115.26 110.39 2pu1 n ASN 100 Ca -0.02 -2.23 -0.25 0.00 -0.02 0.00 0.00 54.58 52.06 2pu1 n ASN 100 Cb 0.33 -0.45 0.03 0.00 -2.36 0.00 0.00 39.78 37.33 2pu1 n ASN 100 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2pu1 n LYS 101 N 0.99 -5.33 0.01 -3.83 5.02 -1.15 -0.19 118.16 113.68 2pu1 n LYS 101 Ca 0.21 0.71 0.13 0.00 -2.02 0.00 0.00 58.31 57.35 2pu1 n LYS 101 Cb 0.68 -5.59 0.46 0.00 -0.02 0.00 0.00 35.03 30.56 2pu1 n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pu1 n GLY 102 N -1.59 -1.43 0.06 0.72 0.00 -1.26 -1.17 105.19 100.52 2pu1 n GLY 102 Ca -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 2pu1 n GLY 102 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pu1 h LYS 103 N 0.00 0.00 0.00 1.61 3.64 -1.90 -3.40 116.57 116.52 2pu1 h LYS 103 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2pu1 h LYS 103 Cb 0.53 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2pu1 h LYS 103 CO 0.00 0.13 -1.30 -0.07 -2.27 0.00 0.00 179.45 175.94 2pu1 h LEU 104 N -1.00 0.00 0.00 5.20 3.38 -1.85 -3.51 115.31 117.53 2pu1 h LEU 104 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pu1 h LEU 104 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2pu1 h LEU 104 CO -0.01 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.92 2pu1 n GLY 105 N 1.42 1.63 0.26 0.83 0.00 -0.32 -4.35 105.19 104.65 2pu1 n GLY 105 Ca -0.09 -1.39 0.07 0.00 0.00 0.00 0.00 46.02 44.61 2pu1 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu1 h ALA 106 N 0.00 1.89 0.00 4.61 0.00 -0.40 -1.69 119.26 123.66 2pu1 h ALA 106 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pu1 h ALA 106 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pu1 h ALA 106 CO 0.00 0.09 0.00 0.27 0.00 0.00 0.00 179.25 179.61 2pu1 n ASN 107 N -4.48 0.36 -0.01 0.00 2.04 -1.25 -0.85 115.26 111.07 2pu1 n ASN 107 Ca -0.02 0.55 -0.21 0.00 -0.44 0.00 0.00 54.58 54.46 2pu1 n ASN 107 Cb 0.12 -0.64 -0.13 0.00 -2.53 0.00 0.00 39.78 36.60 2pu1 n ASN 107 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2pu1 h ALA 108 N 2.68 0.17 -0.15 -2.53 0.00 -1.54 -3.40 119.26 114.51 2pu1 h ALA 108 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 2pu1 h ALA 108 Cb 0.53 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2pu1 h ALA 108 CO 0.00 0.74 -0.00 0.82 0.00 0.00 0.00 179.25 180.81 2pu1 h ILE 109 N -0.46 1.26 -0.51 0.00 2.04 -1.28 -3.27 117.51 115.29 2pu1 h ILE 109 Ca -0.28 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 64.74 2pu1 h ILE 109 Cb 1.63 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 2pu1 h ILE 109 CO 0.02 0.25 0.33 0.25 0.00 0.00 0.00 178.15 178.99 2pu1 h LEU 110 N 0.00 0.56 -1.02 1.44 5.85 -0.78 -0.81 115.31 120.56 2pu1 h LEU 110 Ca 0.04 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2pu1 h LEU 110 Cb 0.38 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 2pu1 h LEU 110 CO 0.01 0.40 0.64 1.23 -0.34 0.00 0.00 178.44 180.38 2pu1 h GLY 111 N 0.66 1.58 0.84 3.75 0.00 -1.76 0.11 103.07 108.25 2pu1 h GLY 111 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2pu1 h GLY 111 CO -0.06 0.25 0.04 0.00 0.00 0.00 0.00 176.54 176.78 2pu1 h SER 113 N 0.08 0.43 0.31 0.00 0.87 -0.34 -0.03 113.55 114.86 2pu1 h SER 113 Ca 0.05 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2pu1 h SER 113 Cb 0.25 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2pu1 h SER 113 CO -0.00 0.30 -0.15 0.24 -0.53 0.00 0.00 176.83 176.69 2pu1 h MET 114 N 0.53 -0.40 -0.73 2.24 2.86 -0.77 -2.76 114.93 115.91 2pu1 h MET 114 Ca 0.19 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 2pu1 h MET 114 Cb 0.03 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2pu1 h MET 114 CO -0.09 -0.21 0.24 0.00 1.06 0.00 0.00 176.91 177.90 2pu1 h ALA 115 N 0.18 1.03 -0.58 6.32 0.00 -1.07 -1.76 119.26 123.38 2pu1 h ALA 115 Ca -0.04 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.76 2pu1 h ALA 115 Cb 0.37 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 2pu1 h ALA 115 CO 0.07 0.66 0.11 0.82 0.00 0.00 0.00 179.25 180.90 2pu1 h ILE 116 N 1.09 0.63 -0.12 0.00 2.04 -1.00 -0.37 117.51 119.78 2pu1 h ILE 116 Ca 0.24 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.91 2pu1 h ILE 116 Cb 0.29 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2pu1 h ILE 116 CO -0.01 0.04 -0.39 0.77 0.00 0.00 0.00 178.15 178.56 2pu1 h SER 117 N 0.23 0.26 -0.17 1.72 4.64 -1.03 0.35 113.55 119.54 2pu1 h SER 117 Ca 0.31 -0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.34 2pu1 h SER 117 Cb 0.46 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2pu1 h SER 117 CO -0.41 0.63 -0.62 0.11 -0.87 0.00 0.00 176.83 175.67 2pu1 h LYS 118 N 0.21 0.72 -0.95 4.77 1.57 -0.99 -0.67 116.57 121.24 2pu1 h LYS 118 Ca 0.02 -0.55 0.01 0.00 -1.87 0.00 0.00 60.65 58.27 2pu1 h LYS 118 Cb 0.79 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 2pu1 h LYS 118 CO 0.06 1.17 0.63 0.00 -0.57 0.00 0.00 179.45 180.74 2pu1 h ALA 119 N 0.56 1.33 -0.25 3.86 0.00 -0.52 -1.99 119.26 122.25 2pu1 h ALA 119 Ca -0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2pu1 h ALA 119 Cb 1.25 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2pu1 h ALA 119 CO 0.13 0.61 -0.09 0.00 0.00 0.00 0.00 179.25 179.91 2pu1 h ALA 120 N 1.41 0.35 -0.80 0.00 0.00 -0.83 -0.85 119.26 118.54 2pu1 h ALA 120 Ca 0.35 -0.29 0.14 0.00 0.00 0.00 0.00 54.91 55.11 2pu1 h ALA 120 Cb -0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.48 2pu1 h ALA 120 CO -0.08 0.18 0.38 0.00 0.00 0.00 0.00 179.25 179.72 2pu1 h ALA 121 N 0.75 1.16 -0.37 0.00 0.00 -0.96 -0.44 119.26 119.40 2pu1 h ALA 121 Ca 0.06 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2pu1 h ALA 121 Cb 0.57 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2pu1 h ALA 121 CO 0.03 -0.13 -0.34 0.00 0.00 0.00 0.00 179.25 178.82 2pu1 h ALA 122 N 1.54 0.70 -0.85 0.00 0.00 -1.12 -0.67 119.26 118.86 2pu1 h ALA 122 Ca 0.43 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2pu1 h ALA 122 Cb 0.60 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2pu1 h ALA 122 CO -0.36 0.66 0.54 0.00 0.00 0.00 0.00 179.25 180.09 2pu1 h ALA 123 N 0.91 1.13 0.00 0.00 0.00 -0.34 -1.74 119.26 119.23 2pu1 h ALA 123 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pu1 h ALA 123 Cb 0.90 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2pu1 h ALA 123 CO 0.08 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.32 2pu1 n LYS 124 N -4.57 0.19 -2.97 0.00 4.76 -0.25 -4.94 118.16 110.37 2pu1 n LYS 124 Ca 0.11 0.27 -0.17 0.00 -2.87 0.00 0.00 58.31 55.66 2pu1 n LYS 124 Cb 0.10 -1.77 0.04 0.00 -1.84 0.00 0.00 35.03 31.56 2pu1 n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pu1 n GLY 125 N 0.71 -0.17 3.29 0.72 0.00 -0.33 -5.05 105.19 104.36 2pu1 n GLY 125 Ca 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 2pu1 n GLY 125 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pu1 s VAL 126 N -3.08 1.54 0.70 1.61 -7.23 -0.76 -5.04 120.40 108.15 2pu1 s VAL 126 Ca 0.29 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 2pu1 s VAL 126 Cb -0.13 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.10 2pu1 s VAL 126 CO 0.36 -0.43 1.15 -2.16 -0.31 0.00 0.00 175.10 173.71 2pu1 s PRO 127 N -2.94 2.47 0.23 4.82 0.04 -1.26 -4.31 135.00 134.05 2pu1 s PRO 127 Ca 0.14 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 2pu1 s PRO 127 Cb -0.04 -1.89 0.28 0.00 0.04 0.00 0.00 34.50 32.88 2pu1 s PRO 127 CO 0.05 -1.54 1.57 1.25 0.04 0.00 0.00 177.00 178.37 2pu1 h LEU 128 N -0.16 -1.15 -1.15 -3.56 5.85 -1.93 -1.07 115.31 112.13 2pu1 h LEU 128 Ca -0.47 0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.61 2pu1 h LEU 128 Cb 1.27 0.64 -0.06 0.00 0.37 0.00 0.00 40.66 42.88 2pu1 h LEU 128 CO 0.52 -0.30 0.59 0.10 -0.34 0.00 0.00 178.44 179.01 2pu1 h TYR 129 N -0.03 1.02 -0.41 1.25 -0.00 -1.91 0.13 116.97 117.02 2pu1 h TYR 129 Ca 0.36 0.03 -0.06 0.00 0.00 0.00 0.00 58.73 59.06 2pu1 h TYR 129 Cb 0.61 -0.33 -0.02 0.00 0.00 0.00 0.00 36.73 36.99 2pu1 h TYR 129 CO -0.76 0.50 0.04 0.00 -0.00 0.00 0.00 178.16 177.94 2pu1 h ARG 130 N 0.98 0.69 -0.34 0.10 2.47 -1.58 -1.15 114.38 115.54 2pu1 h ARG 130 Ca 0.41 -0.20 -0.06 0.00 -1.26 0.00 0.00 59.98 58.86 2pu1 h ARG 130 Cb 0.29 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 2pu1 h ARG 130 CO -0.17 0.75 -0.04 -0.92 0.56 0.00 0.00 179.97 180.16 2pu1 h TYR 131 N 0.53 0.69 -0.37 3.04 5.03 -0.31 -2.03 116.97 123.54 2pu1 h TYR 131 Ca 0.12 -0.13 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 2pu1 h TYR 131 Cb 0.42 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.50 2pu1 h TYR 131 CO 0.03 0.76 0.01 -0.07 -1.32 0.00 0.00 178.16 177.57 2pu1 h LEU 132 N 0.42 0.54 -0.71 2.82 3.38 -0.78 -1.82 115.31 119.16 2pu1 h LEU 132 Ca 0.09 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2pu1 h LEU 132 Cb 0.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2pu1 h LEU 132 CO 0.02 0.61 0.26 0.00 0.09 0.00 0.00 178.44 179.42 2pu1 h ALA 133 N 1.46 0.93 -0.48 1.53 0.00 -0.99 -0.52 119.26 121.20 2pu1 h ALA 133 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2pu1 h ALA 133 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2pu1 h ALA 133 CO 0.01 0.57 0.24 0.66 0.00 0.00 0.00 179.25 180.73 2pu1 h SER 134 N 1.03 0.62 -0.56 0.00 4.64 -0.68 -0.04 113.55 118.56 2pu1 h SER 134 Ca 0.23 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2pu1 h SER 134 Cb 0.25 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 2pu1 h SER 134 CO -0.01 0.57 0.37 -0.07 -0.87 0.00 0.00 176.83 176.81 2pu1 h LEU 135 N 0.63 0.61 -0.13 5.97 3.38 -0.97 -2.82 115.31 121.98 2pu1 h LEU 135 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2pu1 h LEU 135 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2pu1 h LEU 135 CO -0.02 0.44 -0.42 0.00 0.09 0.00 0.00 178.44 178.53 2pu1 n ALA 136 N -2.46 3.39 -1.98 1.53 0.00 -0.24 -4.95 120.51 115.81 2pu1 n ALA 136 Ca 0.06 -0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 2pu1 n ALA 136 Cb 0.08 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2pu1 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pu1 n GLY 137 N 1.46 0.36 3.69 0.00 0.00 -0.12 -4.96 105.19 105.62 2pu1 n GLY 137 Ca 0.07 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2pu1 n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pu1 s THR 138 N -2.65 3.67 0.08 2.61 2.01 -0.67 -4.94 115.64 115.75 2pu1 s THR 138 Ca 0.00 1.07 0.07 0.00 0.31 0.00 0.00 61.69 63.14 2pu1 s THR 138 Cb 0.00 -3.69 -0.22 0.00 0.01 0.00 0.00 72.50 68.60 2pu1 s THR 138 CO 0.00 0.01 1.14 0.11 -0.69 0.00 0.00 174.62 175.19 2pu1 h LYS 139 N 7.75 0.02 -3.30 4.92 1.57 -1.92 -3.45 116.57 122.15 2pu1 h LYS 139 Ca -0.38 -0.03 -0.38 0.00 -1.87 0.00 0.00 60.65 57.99 2pu1 h LYS 139 Cb 1.18 0.01 -0.39 0.00 0.08 0.00 0.00 32.23 33.11 2pu1 h LYS 139 CO 0.90 0.91 -0.74 -2.00 -0.57 0.00 0.00 179.45 177.95 2pu1 s GLU 140 N -2.68 -0.04 0.61 3.15 2.12 -1.26 -5.14 118.70 115.46 2pu1 s GLU 140 Ca -0.01 0.32 -0.17 0.00 0.36 0.00 0.00 54.97 55.48 2pu1 s GLU 140 Cb 0.09 -0.66 -0.02 0.00 0.26 0.00 0.00 34.13 33.80 2pu1 s GLU 140 CO 0.82 -0.36 1.13 -0.51 -0.54 0.00 0.00 175.26 175.80 2pu1 s LEU 141 N 2.16 3.54 -0.01 2.70 1.43 -1.26 -4.43 118.68 122.81 2pu1 s LEU 141 Ca 0.05 2.10 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 2pu1 s LEU 141 Cb -0.12 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.56 2pu1 s LEU 141 CO -0.04 -1.49 0.37 0.00 0.23 0.00 0.00 176.35 175.42 2pu1 s ARG 142 N -3.73 0.74 0.12 1.70 1.70 -1.23 -4.38 118.95 113.87 2pu1 s ARG 142 Ca 0.70 -0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 55.51 2pu1 s ARG 142 Cb -0.23 0.33 -0.06 0.00 -0.57 0.00 0.00 34.95 34.43 2pu1 s ARG 142 CO 0.35 -0.21 0.99 -0.51 -1.08 0.00 0.00 175.30 174.84 2pu1 s LEU 143 N -1.37 4.50 0.48 -1.89 2.01 -0.10 -4.25 118.68 118.05 2pu1 s LEU 143 Ca -0.13 1.84 -0.13 0.00 0.01 0.00 0.00 54.13 55.72 2pu1 s LEU 143 Cb -0.04 -3.59 -0.07 0.00 0.01 0.00 0.00 46.19 42.50 2pu1 s LEU 143 CO 0.04 -0.09 0.90 -2.16 1.01 0.00 0.00 176.35 176.05 2pu1 s PRO 144 N -0.05 3.85 0.02 1.29 0.04 -1.26 -0.49 135.00 138.40 2pu1 s PRO 144 Ca 0.47 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 2pu1 s PRO 144 Cb -0.24 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 2pu1 s PRO 144 CO 0.31 -0.20 1.36 0.54 0.04 0.00 0.00 177.00 179.04 2pu1 s VAL 145 N -2.57 3.74 0.07 -0.36 0.11 0.21 -4.65 120.40 116.95 2pu1 s VAL 145 Ca 0.55 1.16 -0.30 0.00 -2.93 0.00 0.00 61.98 60.46 2pu1 s VAL 145 Cb -0.10 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.96 2pu1 s VAL 145 CO 0.33 0.02 0.99 -2.16 -3.33 0.00 0.00 175.10 170.95 2pu1 s PRO 146 N 2.07 4.63 -0.30 1.54 0.04 -1.26 -1.82 135.00 139.89 2pu1 s PRO 146 Ca 0.63 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 2pu1 s PRO 146 Cb -0.31 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 30.86 2pu1 s PRO 146 CO 0.27 0.09 0.04 0.00 0.04 0.00 0.00 177.00 177.44 2pu1 s PHE 148 N 1.37 3.23 -0.78 0.00 0.08 0.59 -4.07 117.98 118.39 2pu1 s PHE 148 Ca -0.02 -0.14 -0.26 0.00 0.12 0.00 0.00 56.93 56.63 2pu1 s PHE 148 Cb -0.19 -2.47 0.02 0.00 -0.57 0.00 0.00 43.02 39.81 2pu1 s PHE 148 CO 0.00 -0.33 1.48 1.21 -0.10 0.00 0.00 175.22 177.49 2pu1 s ASN 149 N 1.73 5.96 -0.01 1.36 2.47 -1.24 -1.43 114.94 123.77 2pu1 s ASN 149 Ca 0.07 -0.49 0.14 0.00 0.42 0.00 0.00 52.86 53.00 2pu1 s ASN 149 Cb -0.17 -2.56 -0.20 0.00 -1.45 0.00 0.00 41.25 36.87 2pu1 s ASN 149 CO 0.11 -1.96 0.43 1.33 -3.72 0.00 0.00 177.10 173.29 2pu1 n VAL 150 N 6.76 0.00 -4.13 -5.21 0.24 -0.74 -3.35 118.33 111.90 2pu1 n VAL 150 Ca 0.15 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.34 61.85 2pu1 n VAL 150 Cb 0.50 0.49 -0.15 0.00 -1.47 0.00 0.00 33.84 33.20 2pu1 n VAL 150 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2pu1 s ILE 151 N -2.75 2.46 -0.16 1.34 1.01 -1.08 -0.05 121.20 121.97 2pu1 s ILE 151 Ca -0.01 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 2pu1 s ILE 151 Cb 0.10 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 2pu1 s ILE 151 CO 0.60 0.51 0.17 0.20 0.00 0.00 0.00 174.94 176.42 2pu1 s ASN 152 N 1.27 6.33 0.00 3.58 0.02 0.37 -2.49 114.94 124.02 2pu1 s ASN 152 Ca 0.04 0.38 0.00 0.00 -1.02 0.00 0.00 52.86 52.26 2pu1 s ASN 152 Cb -0.14 -2.11 0.00 0.00 0.02 0.00 0.00 41.25 39.03 2pu1 s ASN 152 CO -0.09 0.24 0.00 0.61 0.02 0.00 0.00 177.10 177.88 2pu1 n GLY 153 N 2.99 4.03 4.78 0.66 0.00 -0.52 -4.40 105.19 112.72 2pu1 n GLY 153 Ca -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2pu1 n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pu1 n GLY 154 N 0.00 -1.61 3.60 -0.02 0.00 -0.97 -4.12 105.19 102.07 2pu1 n GLY 154 Ca 0.00 -1.53 -0.47 0.00 0.00 0.00 0.00 46.02 44.02 2pu1 n GLY 154 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pu1 n LYS 155 N 0.00 1.88 -3.26 1.61 4.81 -1.26 -2.45 118.16 119.49 2pu1 n LYS 155 Ca 0.00 0.62 -0.15 0.00 -0.87 0.00 0.00 58.31 57.91 2pu1 n LYS 155 Cb 0.00 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.29 2pu1 n LYS 155 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2pu1 n HIS 156 N 8.74 -1.20 -2.43 5.64 8.25 -1.26 -4.95 115.22 128.01 2pu1 n HIS 156 Ca 0.29 0.49 -0.35 0.00 -0.26 0.00 0.00 57.72 57.89 2pu1 n HIS 156 Cb 0.32 -1.61 -0.02 0.00 1.12 0.00 0.00 29.99 29.80 2pu1 n HIS 156 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pu1 s ALA 157 N -2.56 2.86 -1.32 -1.41 0.00 -1.03 -4.85 121.76 113.46 2pu1 s ALA 157 Ca 0.00 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 2pu1 s ALA 157 Cb -0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2pu1 s ALA 157 CO 0.53 -0.47 2.20 0.41 0.00 0.00 0.00 175.76 178.43 2pu1 n GLY 158 N 0.03 4.03 3.77 0.00 0.00 -1.26 -4.81 105.19 106.95 2pu1 n GLY 158 Ca 0.09 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.63 2pu1 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu1 s ASN 159 N 3.52 -0.01 0.22 1.61 2.20 -1.26 -4.84 114.94 116.37 2pu1 s ASN 159 Ca 0.50 -0.10 0.26 0.00 -0.94 0.00 0.00 52.86 52.58 2pu1 s ASN 159 Cb 0.14 0.09 0.80 0.00 -2.00 0.00 0.00 41.25 40.29 2pu1 s ASN 159 CO -0.05 -0.17 1.77 0.00 -2.94 0.00 0.00 177.10 175.71 2pu1 n ALA 160 N -0.69 2.26 -1.81 3.54 0.00 -1.23 -4.92 120.51 117.66 2pu1 n ALA 160 Ca -0.03 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2pu1 n ALA 160 Cb 0.61 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2pu1 n ALA 160 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2pu1 s LEU 161 N -4.58 4.38 -0.01 0.00 2.96 -0.55 -4.73 118.68 116.16 2pu1 s LEU 161 Ca 0.10 2.65 -0.03 0.00 -0.22 0.00 0.00 54.13 56.63 2pu1 s LEU 161 Cb 0.12 -3.57 -0.28 0.00 0.50 0.00 0.00 46.19 42.97 2pu1 s LEU 161 CO 0.59 -0.95 0.81 1.55 -1.32 0.00 0.00 176.35 177.03 2pu1 h PRO 162 N 8.43 0.25 -6.52 0.98 0.13 -1.77 -2.56 132.00 130.96 2pu1 h PRO 162 Ca -0.44 -0.43 -0.53 0.00 -0.87 0.00 0.00 66.00 63.73 2pu1 h PRO 162 Cb 1.21 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 2pu1 h PRO 162 CO 0.94 1.11 -0.01 -0.06 -0.23 0.00 0.00 178.00 179.75 2pu1 s PHE 163 N -2.61 3.48 -0.09 1.56 2.99 -1.26 -4.12 117.98 117.92 2pu1 s PHE 163 Ca -0.10 1.09 -0.16 0.00 0.00 0.00 0.00 56.93 57.76 2pu1 s PHE 163 Cb 0.07 -2.42 -0.28 0.00 0.00 0.00 0.00 43.02 40.39 2pu1 s PHE 163 CO 0.85 0.26 0.59 0.37 -0.00 0.00 0.00 175.22 177.29 2pu1 h GLN 164 N 2.82 0.26 -3.62 0.44 4.15 -1.43 -3.21 115.11 114.52 2pu1 h GLN 164 Ca -0.48 -0.45 -0.34 0.00 0.77 0.00 0.00 58.65 58.16 2pu1 h GLN 164 Cb 1.18 0.17 -0.35 0.00 0.21 0.00 0.00 27.48 28.69 2pu1 h GLN 164 CO 0.67 1.21 -0.74 -1.21 -1.93 0.00 0.00 178.83 176.83 2pu1 s GLU 165 N -2.48 0.18 -0.28 1.69 2.02 0.16 -1.44 118.70 118.54 2pu1 s GLU 165 Ca -0.19 0.14 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 2pu1 s GLU 165 Cb 0.04 -0.44 0.05 0.00 0.10 0.00 0.00 34.13 33.88 2pu1 s GLU 165 CO 0.78 -0.17 -0.05 -0.06 0.02 0.00 0.00 175.26 175.78 2pu1 s PHE 166 N 1.19 3.22 0.14 1.61 0.08 -1.04 -1.29 117.98 121.89 2pu1 s PHE 166 Ca -0.07 -1.94 0.08 0.00 0.12 0.00 0.00 56.93 55.12 2pu1 s PHE 166 Cb -0.13 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2pu1 s PHE 166 CO -0.02 -0.81 -0.13 -1.64 -0.10 0.00 0.00 175.22 172.52 2pu1 s MET 167 N 1.22 1.98 -0.03 0.44 -1.94 0.27 -1.79 119.30 119.46 2pu1 s MET 167 Ca -0.05 -1.18 0.05 0.00 -1.71 0.00 0.00 55.69 52.80 2pu1 s MET 167 Cb -0.19 -2.18 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 2pu1 s MET 167 CO -0.03 0.47 -0.18 0.96 -0.01 0.00 0.00 175.02 176.23 2pu1 s ILE 168 N -1.40 2.74 -0.07 2.53 -4.36 -0.51 -2.02 121.20 118.11 2pu1 s ILE 168 Ca 0.22 -0.89 -0.01 0.00 -0.26 0.00 0.00 60.65 59.71 2pu1 s ILE 168 Cb -0.10 -2.05 0.03 0.00 1.25 0.00 0.00 42.46 41.59 2pu1 s ILE 168 CO 0.13 0.56 0.00 0.00 0.24 0.00 0.00 174.94 175.87 2pu1 s ALA 169 N -0.72 0.69 -1.20 2.27 0.00 0.35 -0.30 121.76 122.86 2pu1 s ALA 169 Ca 0.11 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 2pu1 s ALA 169 Cb -0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 2pu1 s ALA 169 CO 0.01 -0.47 2.22 -0.35 0.00 0.00 0.00 175.76 177.17 2pu1 n PRO 170 N 5.15 2.45 0.28 0.00 -0.04 -1.26 -0.31 135.00 141.27 2pu1 n PRO 170 Ca -0.07 -2.17 0.16 0.00 -0.04 0.00 0.00 63.50 61.38 2pu1 n PRO 170 Cb 0.50 -3.00 0.79 0.00 -0.04 0.00 0.00 33.50 31.75 2pu1 n PRO 170 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pu1 h VAL 171 N 3.94 0.32 -0.19 0.52 -1.51 -1.81 -2.13 116.25 115.40 2pu1 h VAL 171 Ca 0.56 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 2pu1 h VAL 171 Cb 0.54 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2pu1 h VAL 171 CO 1.85 0.07 0.00 0.29 -1.23 0.00 0.00 177.57 178.55 2pu1 n LYS 172 N -3.38 2.17 -1.40 5.19 4.76 -0.88 -4.24 118.16 120.37 2pu1 n LYS 172 Ca -0.01 -1.74 -0.35 0.00 -2.87 0.00 0.00 58.31 53.34 2pu1 n LYS 172 Cb 0.24 -1.47 0.10 0.00 -1.84 0.00 0.00 35.03 32.06 2pu1 n LYS 172 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pu1 n ALA 173 N 1.01 0.49 0.36 7.82 0.00 -0.80 -4.96 120.51 124.44 2pu1 n ALA 173 Ca 0.17 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.48 2pu1 n ALA 173 Cb 0.51 -2.28 0.04 0.00 0.00 0.00 0.00 19.45 17.72 2pu1 n ALA 173 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pu1 n THR 174 N -2.64 0.03 -3.84 0.00 -2.24 -1.26 -4.94 114.28 99.39 2pu1 n THR 174 Ca 0.15 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 2pu1 n THR 174 Cb 0.49 1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 69.82 2pu1 n THR 174 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pu1 s SER 175 N -0.77 0.10 0.22 3.42 1.04 -1.26 -4.74 113.70 111.71 2pu1 s SER 175 Ca 0.11 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 2pu1 s SER 175 Cb 0.08 0.35 0.19 0.00 0.10 0.00 0.00 66.02 66.74 2pu1 s SER 175 CO 0.11 -0.73 1.79 0.15 0.98 0.00 0.00 173.24 175.54 2pu1 h PHE 176 N 2.75 1.18 -0.32 5.02 3.57 -1.93 -0.07 116.94 127.14 2pu1 h PHE 176 Ca -0.34 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.12 2pu1 h PHE 176 Cb 1.20 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 2pu1 h PHE 176 CO 0.42 0.90 0.03 0.77 -2.23 0.00 0.00 178.31 178.20 2pu1 h SER 177 N 1.13 -0.05 -0.38 0.41 0.02 -1.96 0.16 113.55 112.87 2pu1 h SER 177 Ca 0.26 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 2pu1 h SER 177 Cb 0.22 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2pu1 h SER 177 CO -0.02 0.01 0.10 -0.08 -1.14 0.00 0.00 176.83 175.70 2pu1 h GLU 178 N 0.14 0.60 -0.36 3.45 4.81 -1.93 -1.39 114.58 119.90 2pu1 h GLU 178 Ca 0.15 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2pu1 h GLU 178 Cb 0.19 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 2pu1 h GLU 178 CO -0.23 0.62 -0.04 0.00 -0.73 0.00 0.00 179.01 178.63 2pu1 h ALA 179 N 0.95 0.29 -0.25 2.92 0.00 -0.47 -0.47 119.26 122.22 2pu1 h ALA 179 Ca 0.12 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2pu1 h ALA 179 Cb 0.29 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2pu1 h ALA 179 CO -0.00 -0.43 -0.08 1.25 0.00 0.00 0.00 179.25 179.99 2pu1 h LEU 180 N 0.05 0.51 -0.22 0.00 5.85 -0.52 -0.62 115.31 120.36 2pu1 h LEU 180 Ca 0.18 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2pu1 h LEU 180 Cb 0.26 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2pu1 h LEU 180 CO -0.33 0.77 0.08 -0.09 -0.34 0.00 0.00 178.44 178.52 2pu1 h ARG 181 N 0.24 0.17 -0.65 1.25 2.43 -1.10 -1.10 114.38 115.63 2pu1 h ARG 181 Ca 0.06 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2pu1 h ARG 181 Cb 0.56 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 2pu1 h ARG 181 CO 0.03 0.12 0.41 0.52 -1.51 0.00 0.00 179.97 179.53 2pu1 h MET 182 N 0.18 0.79 -0.31 0.20 2.86 -1.00 0.42 114.93 118.06 2pu1 h MET 182 Ca 0.09 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 2pu1 h MET 182 Cb 0.06 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 2pu1 h MET 182 CO -0.10 0.52 0.02 0.78 1.06 0.00 0.00 176.91 179.20 2pu1 h GLY 183 N 0.81 0.33 0.99 8.32 0.00 -0.87 -0.68 103.07 111.97 2pu1 h GLY 183 Ca 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 2pu1 h GLY 183 CO -0.09 -0.05 0.29 0.23 0.00 0.00 0.00 176.54 176.92 2pu1 h SER 184 N 0.12 0.59 -0.49 0.19 0.87 -0.84 -1.31 113.55 112.68 2pu1 h SER 184 Ca 0.15 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2pu1 h SER 184 Cb 0.19 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2pu1 h SER 184 CO -0.23 0.48 0.28 -0.33 -0.53 0.00 0.00 176.83 176.50 2pu1 h GLU 185 N 0.65 0.68 -0.58 2.24 5.08 -0.60 -0.75 114.58 121.30 2pu1 h GLU 185 Ca 0.17 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2pu1 h GLU 185 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2pu1 h GLU 185 CO -0.03 0.52 0.26 0.28 -1.00 0.00 0.00 179.01 179.03 2pu1 h VAL 186 N 0.65 1.22 -0.55 3.13 2.07 -1.04 -1.35 116.25 120.38 2pu1 h VAL 186 Ca 0.17 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.12 2pu1 h VAL 186 Cb 0.03 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2pu1 h VAL 186 CO -0.03 0.25 0.22 0.22 0.02 0.00 0.00 177.57 178.26 2pu1 h TYR 187 N 0.80 0.40 -0.53 1.57 3.20 -0.92 0.28 116.97 121.77 2pu1 h TYR 187 Ca 0.20 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 2pu1 h TYR 187 Cb 0.16 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2pu1 h TYR 187 CO 0.00 0.14 0.14 0.45 -1.64 0.00 0.00 178.16 177.26 2pu1 h HIS 188 N 0.42 0.88 -0.89 -3.82 3.86 -0.90 -1.30 115.15 113.40 2pu1 h HIS 188 Ca 0.27 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2pu1 h HIS 188 Cb 0.27 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 2pu1 h HIS 188 CO -0.15 0.76 0.52 0.77 0.86 0.00 0.00 177.93 180.69 2pu1 h SER 189 N 0.74 1.09 -0.69 2.45 0.02 -0.55 -2.89 113.55 113.71 2pu1 h SER 189 Ca 0.17 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2pu1 h SER 189 Cb 0.31 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2pu1 h SER 189 CO -0.00 0.85 0.29 0.25 -1.14 0.00 0.00 176.83 177.07 2pu1 h LEU 190 N 1.23 0.95 -0.44 5.07 5.85 -0.11 -1.86 115.31 126.01 2pu1 h LEU 190 Ca 0.32 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2pu1 h LEU 190 Cb -0.02 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.69 2pu1 h LEU 190 CO -0.06 0.85 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.79 2pu1 h ARG 191 N 0.98 0.10 -0.77 1.25 2.43 -1.04 0.16 114.38 117.48 2pu1 h ARG 191 Ca 0.23 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2pu1 h ARG 191 Cb 0.19 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2pu1 h ARG 191 CO -0.02 0.06 0.27 0.78 -1.51 0.00 0.00 179.97 179.55 2pu1 h GLY 192 N 0.10 1.26 0.97 2.80 0.00 -1.36 -0.02 103.07 106.81 2pu1 h GLY 192 Ca 0.22 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2pu1 h GLY 192 CO -0.37 0.68 0.21 -2.22 0.00 0.00 0.00 176.54 174.83 2pu1 h ILE 193 N 1.14 1.20 -0.28 2.60 2.04 -0.90 -1.62 117.51 121.69 2pu1 h ILE 193 Ca 0.25 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2pu1 h ILE 193 Cb 0.27 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2pu1 h ILE 193 CO -0.01 0.23 0.04 0.40 0.00 0.00 0.00 178.15 178.81 2pu1 h ILE 194 N 0.64 1.23 -0.54 -0.67 2.04 -0.78 -1.96 117.51 117.48 2pu1 h ILE 194 Ca 0.16 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.28 2pu1 h ILE 194 Cb 0.17 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 2pu1 h ILE 194 CO -0.02 0.26 0.25 0.50 0.00 0.00 0.00 178.15 179.15 2pu1 h LYS 195 N 0.28 0.47 -0.54 2.37 3.64 -0.87 0.15 116.57 122.07 2pu1 h LYS 195 Ca 0.08 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 2pu1 h LYS 195 Cb 0.35 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2pu1 h LYS 195 CO 0.01 0.31 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.15 2pu1 h LYS 196 N 0.48 1.03 0.20 1.90 3.64 -1.20 0.98 116.57 123.61 2pu1 h LYS 196 Ca 0.25 -0.39 -0.32 0.00 -1.27 0.00 0.00 60.65 58.91 2pu1 h LYS 196 Cb 0.20 -0.06 0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2pu1 h LYS 196 CO -0.20 1.08 -1.39 -0.22 -2.27 0.00 0.00 179.45 176.45 2pu1 h LYS 197 N 0.91 0.58 0.00 1.90 3.64 -1.10 -3.39 116.57 119.10 2pu1 h LYS 197 Ca 0.14 -0.90 0.00 0.00 -1.27 0.00 0.00 60.65 58.62 2pu1 h LYS 197 Cb 0.70 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2pu1 h LYS 197 CO 0.05 1.42 -0.32 0.66 -2.27 0.00 0.00 179.45 179.00 2pu1 n TYR 198 N -3.75 0.00 0.00 1.91 4.01 0.49 -5.09 117.16 114.73 2pu1 n TYR 198 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2pu1 n TYR 198 Cb 1.06 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 2pu1 n TYR 198 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pu1 n GLY 199 N 1.17 1.75 0.28 2.72 0.00 0.34 -4.61 105.19 106.84 2pu1 n GLY 199 Ca 0.01 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.16 2pu1 n GLY 199 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2pu1 h GLN 200 N 0.00 0.00 0.00 1.61 3.07 -1.91 -2.02 115.11 115.86 2pu1 h GLN 200 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2pu1 h GLN 200 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2pu1 h GLN 200 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.67 2pu1 n ASP 201 N -4.46 0.00 -0.92 0.06 10.43 -1.26 -3.66 116.55 116.74 2pu1 n ASP 201 Ca -0.01 0.07 0.12 0.00 2.57 0.00 0.00 54.79 57.54 2pu1 n ASP 201 Cb 0.18 -0.28 0.09 0.00 1.84 0.00 0.00 41.12 42.95 2pu1 n ASP 201 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2pu1 n ALA 202 N -1.28 2.54 -0.58 2.24 0.00 -0.76 -4.46 120.51 118.21 2pu1 n ALA 202 Ca 0.07 -0.69 0.07 0.00 0.00 0.00 0.00 53.44 52.89 2pu1 n ALA 202 Cb 0.12 -0.80 0.18 0.00 0.00 0.00 0.00 19.45 18.95 2pu1 n ALA 202 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2pu1 n VAL 203 N 1.25 1.62 -1.43 0.00 0.24 -1.24 -3.88 118.33 114.88 2pu1 n VAL 203 Ca 0.14 -1.48 -0.31 0.00 -2.04 0.00 0.00 64.34 60.65 2pu1 n VAL 203 Cb 0.59 0.12 0.08 0.00 -1.47 0.00 0.00 33.84 33.16 2pu1 n VAL 203 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2pu1 s ASN 204 N -1.55 4.64 0.14 -1.34 0.01 -1.26 -4.95 114.94 110.62 2pu1 s ASN 204 Ca 0.30 1.56 0.06 0.00 -0.71 0.00 0.00 52.86 54.07 2pu1 s ASN 204 Cb 0.22 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 2pu1 s ASN 204 CO 0.10 -1.91 0.02 0.68 -1.51 0.00 0.00 177.10 174.48 2pu1 s VAL 205 N -3.02 3.98 0.89 1.60 -7.23 -1.26 -3.44 120.40 111.91 2pu1 s VAL 205 Ca 0.60 -1.19 -0.15 0.00 -1.81 0.00 0.00 61.98 59.44 2pu1 s VAL 205 Cb -0.15 -2.96 0.21 0.00 0.56 0.00 0.00 36.38 34.03 2pu1 s VAL 205 CO 0.55 -0.02 1.08 0.61 -0.31 0.00 0.00 175.10 177.02 2pu1 n GLY 206 N 0.12 -1.77 0.38 2.32 0.00 0.29 -4.90 105.19 101.63 2pu1 n GLY 206 Ca -0.10 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.41 2pu1 n GLY 206 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pu1 h ASP 207 N -1.74 0.52 -0.60 1.61 3.32 -1.88 -1.58 116.42 116.07 2pu1 h ASP 207 Ca -0.36 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2pu1 h ASP 207 Cb 1.02 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2pu1 h ASP 207 CO 0.25 0.26 0.00 -0.62 -1.72 0.00 0.00 179.24 177.41 2pu1 n GLU 208 N -4.52 3.66 -0.79 3.56 1.02 -1.26 -4.95 120.64 117.36 2pu1 n GLU 208 Ca 0.17 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.46 2pu1 n GLU 208 Cb 0.53 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2pu1 n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pu1 n GLY 209 N 0.94 0.79 3.93 0.62 0.00 -0.60 -1.78 105.19 109.10 2pu1 n GLY 209 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 2pu1 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pu1 s GLY 210 N -1.87 1.69 0.33 -0.02 0.00 -1.21 -4.71 107.32 101.53 2pu1 s GLY 210 Ca 0.00 -1.00 -0.25 0.00 0.00 0.00 0.00 44.72 43.47 2pu1 s GLY 210 CO 0.00 -0.49 0.92 -1.36 0.00 0.00 0.00 173.10 172.17 2pu1 s PHE 211 N -3.43 3.64 -0.64 1.90 0.08 0.93 -0.54 117.98 119.91 2pu1 s PHE 211 Ca 0.64 1.72 0.06 0.00 0.12 0.00 0.00 56.93 59.47 2pu1 s PHE 211 Cb -0.09 -2.88 0.23 0.00 -0.57 0.00 0.00 43.02 39.71 2pu1 s PHE 211 CO 0.47 0.19 0.69 0.00 -0.10 0.00 0.00 175.22 176.47 2pu1 n ALA 212 N 0.43 3.89 -1.30 5.36 0.00 -1.22 0.14 120.51 127.81 2pu1 n ALA 212 Ca 0.02 -4.68 -0.31 0.00 0.00 0.00 0.00 53.44 48.48 2pu1 n ALA 212 Cb 0.51 -0.92 0.09 0.00 0.00 0.00 0.00 19.45 19.13 2pu1 n ALA 212 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pu1 s PRO 213 N -2.23 2.15 -1.12 0.00 0.04 -1.25 -4.76 135.00 127.83 2pu1 s PRO 213 Ca 0.37 1.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 2pu1 s PRO 213 Cb 0.11 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2pu1 s PRO 213 CO -0.05 -1.68 2.11 -0.35 0.04 0.00 0.00 177.00 177.07 2pu1 n PRO 214 N -3.54 2.22 -4.82 0.56 -0.04 -1.26 -4.76 135.00 123.35 2pu1 n PRO 214 Ca 0.08 -2.19 -0.33 0.00 -0.04 0.00 0.00 63.50 61.03 2pu1 n PRO 214 Cb 0.54 -3.07 -0.13 0.00 -0.04 0.00 0.00 33.50 30.79 2pu1 n PRO 214 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2pu1 s ILE 215 N 4.02 3.13 -0.22 0.52 1.01 -1.26 -4.98 121.20 123.41 2pu1 s ILE 215 Ca 0.52 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2pu1 s ILE 215 Cb 0.14 -2.26 -0.12 0.00 0.01 0.00 0.00 42.46 40.23 2pu1 s ILE 215 CO 0.01 0.57 -0.24 1.17 0.00 0.00 0.00 174.94 176.45 2pu1 n LYS 216 N 2.74 0.51 -2.77 2.79 4.81 -1.26 -1.48 118.16 123.51 2pu1 n LYS 216 Ca -0.18 0.16 -0.41 0.00 -0.87 0.00 0.00 58.31 57.02 2pu1 n LYS 216 Cb 0.52 -1.37 -0.05 0.00 0.02 0.00 0.00 35.03 34.15 2pu1 n LYS 216 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2pu1 s ASP 217 N -6.50 7.49 0.54 3.14 -4.77 -1.26 -4.15 116.67 111.14 2pu1 s ASP 217 Ca -0.30 1.77 0.35 0.00 -3.30 0.00 0.00 52.55 51.07 2pu1 s ASP 217 Cb 0.10 -2.57 1.55 0.00 -1.09 0.00 0.00 42.92 40.90 2pu1 s ASP 217 CO 0.45 -0.01 2.03 0.16 0.70 0.00 0.00 175.17 178.49 2pu1 h ILE 218 N 3.89 0.00 0.00 2.11 3.07 -1.95 -2.87 117.51 121.75 2pu1 h ILE 218 Ca -0.43 -0.35 -0.12 0.00 1.55 0.00 0.00 64.86 65.51 2pu1 h ILE 218 Cb 1.21 1.30 -0.02 0.00 -0.27 0.00 0.00 36.82 39.05 2pu1 h ILE 218 CO 0.71 0.00 -0.66 0.78 -1.05 0.00 0.00 178.15 177.93 2pu1 h ASN 219 N 0.00 0.00 -0.49 2.16 2.35 -2.03 -3.39 115.58 114.18 2pu1 h ASN 219 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2pu1 h ASN 219 Cb 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 2pu1 h ASN 219 CO 0.00 0.51 0.14 -0.08 -1.65 0.00 0.00 177.43 176.36 2pu1 h GLU 220 N 0.00 0.82 0.00 0.81 4.81 -1.93 -2.45 114.58 116.65 2pu1 h GLU 220 Ca -0.03 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 2pu1 h GLU 220 Cb 1.42 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 2pu1 h GLU 220 CO 0.06 0.73 -0.03 -1.35 -0.73 0.00 0.00 179.01 177.70 2pu1 h PRO 221 N 0.80 0.00 -0.03 0.92 0.11 -1.77 -3.35 132.00 128.69 2pu1 h PRO 221 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 2pu1 h PRO 221 Cb 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 2pu1 h PRO 221 CO -0.00 0.03 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.74 2pu1 h LEU 222 N 0.00 0.05 -1.57 2.35 3.38 -1.73 -1.90 115.31 115.89 2pu1 h LEU 222 Ca -0.00 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 57.76 2pu1 h LEU 222 Cb 0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2pu1 h LEU 222 CO 0.00 0.36 0.45 -0.65 0.09 0.00 0.00 178.44 178.69 2pu1 h PRO 223 N -0.27 0.46 -0.60 1.13 0.11 -1.77 -1.84 132.00 129.23 2pu1 h PRO 223 Ca 0.01 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 2pu1 h PRO 223 Cb 0.33 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 2pu1 h PRO 223 CO 0.00 0.30 0.03 0.82 -0.21 0.00 0.00 178.00 178.95 2pu1 h ILE 224 N 0.47 1.26 -0.30 4.15 2.04 -1.62 -0.40 117.51 123.12 2pu1 h ILE 224 Ca 0.32 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2pu1 h ILE 224 Cb 0.61 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2pu1 h ILE 224 CO -0.10 0.40 0.15 -0.07 0.00 0.00 0.00 178.15 178.53 2pu1 h LEU 225 N 0.93 0.39 -0.93 1.44 3.38 -0.56 -1.19 115.31 118.76 2pu1 h LEU 225 Ca 0.17 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2pu1 h LEU 225 Cb 0.51 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2pu1 h LEU 225 CO 0.02 0.39 0.32 0.24 0.09 0.00 0.00 178.44 179.50 2pu1 h MET 226 N 0.36 1.10 -0.33 1.13 2.86 -1.19 -1.05 114.93 117.81 2pu1 h MET 226 Ca 0.10 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2pu1 h MET 226 Cb 0.09 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2pu1 h MET 226 CO -0.01 0.87 0.16 1.49 1.06 0.00 0.00 176.91 180.47 2pu1 h GLU 227 N 1.08 0.48 -0.55 1.72 4.81 -0.77 -1.74 114.58 119.59 2pu1 h GLU 227 Ca 0.25 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2pu1 h GLU 227 Cb 0.17 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2pu1 h GLU 227 CO -0.03 0.44 0.37 0.00 -0.73 0.00 0.00 179.01 179.06 2pu1 h ALA 228 N 1.01 0.70 -0.36 2.92 0.00 -0.95 0.81 119.26 123.39 2pu1 h ALA 228 Ca 0.11 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2pu1 h ALA 228 Cb 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2pu1 h ALA 228 CO -0.01 0.14 0.09 0.82 0.00 0.00 0.00 179.25 180.28 2pu1 h ILE 229 N 0.75 0.84 0.01 0.00 2.04 -1.06 -1.50 117.51 118.59 2pu1 h ILE 229 Ca 0.20 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2pu1 h ILE 229 Cb -0.08 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2pu1 h ILE 229 CO -0.05 0.04 -0.01 -0.08 0.00 0.00 0.00 178.15 178.06 2pu1 h GLU 230 N 0.22 -0.02 -0.58 2.37 4.57 -0.99 -1.32 114.58 118.82 2pu1 h GLU 230 Ca 0.17 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 2pu1 h GLU 230 Cb 0.18 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2pu1 h GLU 230 CO -0.21 0.03 0.21 1.49 -1.18 0.00 0.00 179.01 179.35 2pu1 h GLU 231 N -0.06 0.85 0.00 1.92 4.81 -0.62 -1.38 114.58 120.09 2pu1 h GLU 231 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2pu1 h GLU 231 Cb 0.06 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2pu1 h GLU 231 CO 0.00 0.72 0.00 0.00 -0.73 0.00 0.00 179.01 179.00 2pu1 n ALA 232 N -2.45 1.85 -0.91 2.92 0.00 -0.58 -4.88 120.51 116.46 2pu1 n ALA 232 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2pu1 n ALA 232 Cb 0.18 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2pu1 n ALA 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pu1 n GLY 233 N 0.13 0.53 0.75 0.00 0.00 -0.52 -4.90 105.19 101.17 2pu1 n GLY 233 Ca 0.07 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.26 2pu1 n GLY 233 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pu1 n HIS 234 N -2.88 0.54 -1.56 1.61 8.25 -0.50 -5.03 115.22 115.63 2pu1 n HIS 234 Ca 0.00 -1.35 -0.61 0.00 -0.26 0.00 0.00 57.72 55.51 2pu1 n HIS 234 Cb 0.05 -0.33 -0.08 0.00 1.12 0.00 0.00 29.99 30.75 2pu1 n HIS 234 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2pu1 n ARG 235 N -1.09 0.08 0.00 -0.41 0.63 -1.21 -1.18 116.66 113.48 2pu1 n ARG 235 Ca 0.24 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 2pu1 n ARG 235 Cb 0.84 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 32.21 2pu1 n ARG 235 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2pu1 n GLY 236 N 2.14 1.94 0.08 5.14 0.00 -1.26 -4.85 105.19 108.38 2pu1 n GLY 236 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 2pu1 n GLY 236 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pu1 n LYS 237 N -2.00 0.28 -4.37 1.61 4.76 -0.32 -4.86 118.16 113.26 2pu1 n LYS 237 Ca 0.00 -0.17 -0.26 0.00 -2.87 0.00 0.00 58.31 55.01 2pu1 n LYS 237 Cb 0.00 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.57 2pu1 n LYS 237 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2pu1 s PHE 238 N -2.84 2.11 0.38 2.13 0.08 -1.26 -2.08 117.98 116.51 2pu1 s PHE 238 Ca 0.15 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.85 2pu1 s PHE 238 Cb 0.18 -1.10 -0.06 0.00 -0.57 0.00 0.00 43.02 41.47 2pu1 s PHE 238 CO 0.65 0.36 0.05 0.00 -0.10 0.00 0.00 175.22 176.18 2pu1 s ALA 239 N -1.44 2.82 0.02 5.36 0.00 0.57 -4.88 121.76 124.22 2pu1 s ALA 239 Ca 0.15 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.38 2pu1 s ALA 239 Cb -0.09 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2pu1 s ALA 239 CO 0.07 -0.24 -0.17 0.42 0.00 0.00 0.00 175.76 175.84 2pu1 s ILE 240 N -3.11 2.87 0.05 0.00 1.01 0.22 -0.49 121.20 121.75 2pu1 s ILE 240 Ca 0.31 -1.07 0.08 0.00 0.00 0.00 0.00 60.65 59.96 2pu1 s ILE 240 Cb 0.07 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 2pu1 s ILE 240 CO 0.15 0.40 -0.21 0.00 0.00 0.00 0.00 174.94 175.27 2pu1 s MET 242 N -1.32 1.93 -0.27 0.00 -1.94 0.11 -0.56 119.30 117.25 2pu1 s MET 242 Ca 0.08 -1.06 0.02 0.00 -1.71 0.00 0.00 55.69 53.02 2pu1 s MET 242 Cb -0.09 -2.12 0.07 0.00 2.01 0.00 0.00 34.83 34.71 2pu1 s MET 242 CO 0.02 0.52 -0.04 0.34 -0.01 0.00 0.00 175.02 175.86 2pu1 s ASP 243 N -1.53 4.30 0.23 3.03 2.15 -0.41 -0.48 116.67 123.96 2pu1 s ASP 243 Ca 0.14 -1.53 0.11 0.00 0.43 0.00 0.00 52.55 51.71 2pu1 s ASP 243 Cb -0.10 -1.40 0.12 0.00 -0.30 0.00 0.00 42.92 41.24 2pu1 s ASP 243 CO 0.05 -0.27 1.47 0.00 -0.17 0.00 0.00 175.17 176.25 2pu1 n ALA 245 N -2.34 -2.06 0.30 0.00 0.00 -1.21 -3.46 120.51 111.75 2pu1 n ALA 245 Ca -0.00 -0.38 0.18 0.00 0.00 0.00 0.00 53.44 53.24 2pu1 n ALA 245 Cb 0.75 -1.18 0.83 0.00 0.00 0.00 0.00 19.45 19.85 2pu1 n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pu1 h ALA 246 N 0.86 1.00 -0.67 0.00 0.00 -1.64 -1.10 119.26 117.71 2pu1 h ALA 246 Ca -0.65 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.26 2pu1 h ALA 246 Cb 1.39 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2pu1 h ALA 246 CO 0.67 0.00 0.45 0.77 0.00 0.00 0.00 179.25 181.13 2pu1 h SER 247 N 0.00 0.77 0.26 0.00 0.02 -1.84 -2.67 113.55 110.09 2pu1 h SER 247 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2pu1 h SER 247 Cb 0.34 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2pu1 h SER 247 CO 0.00 0.55 0.00 -0.62 -1.14 0.00 0.00 176.83 175.62 2pu1 n GLU 248 N -4.44 0.13 -0.00 3.45 -0.58 -0.42 -1.86 120.64 116.92 2pu1 n GLU 248 Ca 0.07 0.53 0.05 0.00 -0.42 0.00 0.00 57.16 57.39 2pu1 n GLU 248 Cb 0.04 -1.84 -0.07 0.00 -0.57 0.00 0.00 31.44 28.99 2pu1 n GLU 248 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2pu1 n THR 249 N -2.11 0.00 -2.88 2.62 -2.24 -1.02 -5.00 114.28 103.64 2pu1 n THR 249 Ca 0.00 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 2pu1 n THR 249 Cb 0.10 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 2pu1 n THR 249 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2pu1 s TYR 250 N -2.39 3.90 -0.20 4.78 5.04 -0.78 0.20 117.35 127.89 2pu1 s TYR 250 Ca 0.00 1.72 -0.03 0.00 -2.44 0.00 0.00 57.07 56.32 2pu1 s TYR 250 Cb 0.08 -2.87 -0.01 0.00 0.35 0.00 0.00 41.96 39.51 2pu1 s TYR 250 CO 0.46 0.43 -0.06 0.34 -1.34 0.00 0.00 175.55 175.38 2pu1 s ASP 251 N -0.85 4.20 0.13 4.32 2.15 -0.43 -4.94 116.67 121.25 2pu1 s ASP 251 Ca 0.39 -0.39 -0.16 0.00 0.43 0.00 0.00 52.55 52.82 2pu1 s ASP 251 Cb -0.24 -1.71 -0.00 0.00 -0.30 0.00 0.00 42.92 40.67 2pu1 s ASP 251 CO 0.28 0.01 1.67 -0.08 -0.17 0.00 0.00 175.17 176.88 2pu1 h GLU 252 N 7.88 0.62 0.00 4.34 4.81 -1.97 0.11 114.58 130.37 2pu1 h GLU 252 Ca -0.40 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 58.63 2pu1 h GLU 252 Cb 1.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2pu1 h GLU 252 CO 0.60 0.60 -0.36 1.57 -0.73 0.00 0.00 179.01 180.69 2pu1 h LYS 253 N 0.51 0.00 0.00 1.92 -0.00 -1.97 -3.15 116.57 113.88 2pu1 h LYS 253 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.69 2pu1 h LYS 253 Cb 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.44 2pu1 h LYS 253 CO -0.01 0.36 -1.95 1.17 -0.00 0.00 0.00 179.45 179.02 2pu1 n LYS 254 N -4.00 0.66 -3.49 0.07 4.81 -1.20 -5.00 118.16 110.01 2pu1 n LYS 254 Ca -0.02 -0.10 -0.21 0.00 -0.87 0.00 0.00 58.31 57.11 2pu1 n LYS 254 Cb 0.41 -1.57 0.07 0.00 0.02 0.00 0.00 35.03 33.96 2pu1 n LYS 254 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2pu1 n GLN 255 N -2.45 -7.22 -4.09 1.64 6.02 0.37 -5.02 117.38 106.63 2pu1 n GLN 255 Ca -0.10 0.76 -0.09 0.00 -0.01 0.00 0.00 57.00 57.56 2pu1 n GLN 255 Cb 0.71 -5.60 -0.10 0.00 1.02 0.00 0.00 30.24 26.28 2pu1 n GLN 255 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2pu1 s GLN 256 N -6.13 0.81 -0.16 -1.09 -0.21 -1.19 -4.68 119.66 107.02 2pu1 s GLN 256 Ca 0.49 -1.30 -0.06 0.00 0.02 0.00 0.00 55.36 54.52 2pu1 s GLN 256 Cb -0.22 0.25 -0.04 0.00 1.00 0.00 0.00 33.01 34.00 2pu1 s GLN 256 CO 0.67 -0.21 0.03 0.71 -2.12 0.00 0.00 175.29 174.36 2pu1 s TYR 257 N -3.98 3.19 -0.47 0.91 2.02 0.18 -1.31 117.35 117.88 2pu1 s TYR 257 Ca 0.16 -0.01 -0.16 0.00 -0.37 0.00 0.00 57.07 56.69 2pu1 s TYR 257 Cb 0.07 -2.01 0.07 0.00 -0.40 0.00 0.00 41.96 39.69 2pu1 s TYR 257 CO -0.04 0.15 0.41 1.21 -1.57 0.00 0.00 175.55 175.71 2pu1 s ASN 258 N 0.19 6.15 0.00 2.29 2.47 0.13 -0.53 114.94 125.64 2pu1 s ASN 258 Ca 0.02 -1.25 0.19 0.00 0.42 0.00 0.00 52.86 52.25 2pu1 s ASN 258 Cb -0.13 -2.19 0.47 0.00 -1.45 0.00 0.00 41.25 37.95 2pu1 s ASN 258 CO 0.01 -0.65 1.39 0.18 -3.72 0.00 0.00 177.10 174.31 2pu1 n LEU 259 N 5.29 3.46 -3.28 3.21 4.77 -0.42 -2.86 117.00 127.17 2pu1 n LEU 259 Ca -0.12 -1.79 -0.33 0.00 -0.03 0.00 0.00 56.01 53.74 2pu1 n LEU 259 Cb 0.44 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2pu1 n LEU 259 CO 0.47 0.82 0.68 0.35 -1.33 0.00 0.00 177.39 178.38 2pu1 n THR 260 N 1.28 4.31 0.26 -5.08 -2.24 -1.26 -4.39 114.28 107.17 2pu1 n THR 260 Ca 0.19 -5.74 0.13 0.00 -2.27 0.00 0.00 64.05 56.36 2pu1 n THR 260 Cb 0.55 -1.53 0.61 0.00 -2.10 0.00 0.00 70.33 67.87 2pu1 n THR 260 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2pu1 h PHE 261 N 3.62 0.00 -0.67 4.78 -5.15 -1.84 -1.98 116.94 115.70 2pu1 h PHE 261 Ca 0.29 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.06 2pu1 h PHE 261 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.62 2pu1 h PHE 261 CO 1.03 0.00 0.00 1.63 -2.00 0.00 0.00 178.31 178.97 2pu1 n LYS 262 N -2.37 2.74 -4.46 6.09 5.02 -1.26 -4.97 118.16 118.96 2pu1 n LYS 262 Ca -0.00 -2.57 -0.24 0.00 -2.02 0.00 0.00 58.31 53.47 2pu1 n LYS 262 Cb 0.12 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 2pu1 n LYS 262 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2pu1 s SER 263 N -1.01 3.77 0.12 4.39 0.01 -0.74 -4.93 113.70 115.31 2pu1 s SER 263 Ca 0.45 -1.03 -0.23 0.00 1.31 0.00 0.00 55.95 56.46 2pu1 s SER 263 Cb 0.24 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 2pu1 s SER 263 CO 0.31 -0.04 1.67 1.55 0.41 0.00 0.00 173.24 177.14 2pu1 h PRO 264 N 2.13 -0.20 -6.21 12.44 0.13 -1.93 -3.43 132.00 134.94 2pu1 h PRO 264 Ca -0.41 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.16 2pu1 h PRO 264 Cb 1.26 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2pu1 h PRO 264 CO 0.63 -0.13 -0.08 -1.21 -0.23 0.00 0.00 178.00 176.98 2pu1 s GLU 265 N -6.14 4.08 0.18 0.86 2.02 -1.26 -5.09 118.70 113.35 2pu1 s GLU 265 Ca -0.14 0.60 -0.12 0.00 0.02 0.00 0.00 54.97 55.33 2pu1 s GLU 265 Cb 0.10 -3.15 -0.07 0.00 0.10 0.00 0.00 34.13 31.11 2pu1 s GLU 265 CO 0.67 0.61 0.54 -1.25 0.02 0.00 0.00 175.26 175.85 2pu1 s PRO 266 N -1.34 3.88 -0.35 0.39 0.04 -1.26 -4.69 135.00 131.67 2pu1 s PRO 266 Ca 0.30 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.73 2pu1 s PRO 266 Cb -0.18 -2.80 0.10 0.00 0.04 0.00 0.00 34.50 31.66 2pu1 s PRO 266 CO 0.18 0.41 0.08 0.99 0.04 0.00 0.00 177.00 178.69 2pu1 s THR 267 N -1.63 2.62 -0.22 1.26 2.01 -1.26 -4.89 115.64 113.52 2pu1 s THR 267 Ca 0.42 -2.14 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 2pu1 s THR 267 Cb -0.13 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 2pu1 s THR 267 CO 0.20 -0.55 0.86 0.26 -0.69 0.00 0.00 174.62 174.70 2pu1 s TRP 268 N 1.01 3.35 -0.02 4.92 0.52 -1.26 -1.30 118.94 126.16 2pu1 s TRP 268 Ca 0.08 1.21 0.04 0.00 0.02 0.00 0.00 56.10 57.45 2pu1 s TRP 268 Cb -0.20 -3.07 -0.01 0.00 -1.15 0.00 0.00 33.47 29.04 2pu1 s TRP 268 CO -0.06 -0.37 -0.13 0.08 0.02 0.00 0.00 176.95 176.49 2pu1 s VAL 269 N 2.69 1.06 0.91 4.03 1.01 0.31 -4.95 120.40 125.47 2pu1 s VAL 269 Ca 0.37 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 2pu1 s VAL 269 Cb -0.16 -0.90 0.16 0.00 0.00 0.00 0.00 36.38 35.48 2pu1 s VAL 269 CO 0.09 0.31 1.27 0.42 0.00 0.00 0.00 175.10 177.19 2pu1 s THR 270 N -0.14 2.01 0.21 3.92 -4.23 -1.26 0.47 115.64 116.61 2pu1 s THR 270 Ca 0.02 -0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.67 2pu1 s THR 270 Cb -0.07 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.86 2pu1 s THR 270 CO 0.00 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 175.78 2pu1 h ALA 271 N -1.44 1.00 0.00 3.99 0.00 -1.98 -2.43 119.26 118.40 2pu1 h ALA 271 Ca -0.45 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 53.93 2pu1 h ALA 271 Cb 1.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2pu1 h ALA 271 CO 0.46 0.57 -1.23 1.49 0.00 0.00 0.00 179.25 180.54 2pu1 h GLU 272 N 0.00 0.00 -0.68 0.00 4.81 -1.99 -2.62 114.58 114.10 2pu1 h GLU 272 Ca -0.00 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2pu1 h GLU 272 Cb 0.96 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 2pu1 h GLU 272 CO 0.06 0.22 0.46 1.96 -0.73 0.00 0.00 179.01 180.98 2pu1 h GLN 273 N 0.00 0.42 -0.01 1.92 4.20 -1.94 -1.01 115.11 118.69 2pu1 h GLN 273 Ca -0.11 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 2pu1 h GLN 273 Cb 1.42 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 2pu1 h GLN 273 CO 0.04 0.28 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.40 2pu1 h LEU 274 N 0.44 0.01 -0.91 1.46 4.07 -1.41 -2.92 115.31 116.05 2pu1 h LEU 274 Ca 0.33 -0.42 0.01 0.00 0.08 0.00 0.00 57.88 57.88 2pu1 h LEU 274 Cb 0.67 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.37 2pu1 h LEU 274 CO -0.10 0.43 0.60 -0.09 -1.08 0.00 0.00 178.44 178.20 2pu1 h ARG 275 N -0.40 1.20 -0.29 1.13 2.43 -1.06 0.90 114.38 118.29 2pu1 h ARG 275 Ca 0.00 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2pu1 h ARG 275 Cb 0.42 -0.27 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 2pu1 h ARG 275 CO 0.00 0.80 -0.31 1.49 -1.51 0.00 0.00 179.97 180.44 2pu1 h GLU 276 N 1.24 -0.29 -0.40 0.20 4.81 -1.30 0.64 114.58 119.48 2pu1 h GLU 276 Ca 0.33 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.63 2pu1 h GLU 276 Cb -0.14 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2pu1 h GLU 276 CO -0.07 -0.19 0.14 1.15 -0.73 0.00 0.00 179.01 179.30 2pu1 h THR 277 N -0.30 0.87 -0.50 0.32 2.02 -1.03 -2.05 112.91 112.25 2pu1 h THR 277 Ca 0.14 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 2pu1 h THR 277 Cb 0.53 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2pu1 h THR 277 CO -0.46 0.05 0.02 1.88 0.37 0.00 0.00 175.52 177.39 2pu1 h TYR 278 N 0.29 0.93 -0.62 3.16 0.05 -0.42 0.21 116.97 120.58 2pu1 h TYR 278 Ca 0.18 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 2pu1 h TYR 278 Cb 0.17 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 2pu1 h TYR 278 CO -0.15 0.87 0.25 0.00 -1.05 0.00 0.00 178.16 178.08 2pu1 h LYS 280 N 0.88 0.38 -0.37 0.00 3.64 -1.05 -1.81 116.57 118.25 2pu1 h LYS 280 Ca 0.21 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2pu1 h LYS 280 Cb 0.17 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 2pu1 h LYS 280 CO -0.02 0.72 -0.15 -1.49 -2.27 0.00 0.00 179.45 176.24 2pu1 h TRP 281 N 0.05 -0.35 0.00 1.91 4.06 -0.78 0.14 115.95 120.98 2pu1 h TRP 281 Ca 0.03 0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.95 2pu1 h TRP 281 Cb 0.62 0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.98 2pu1 h TRP 281 CO 0.07 -0.22 -0.34 0.00 -3.56 0.00 0.00 178.44 174.39 2pu1 h ALA 282 N 1.24 1.31 0.09 1.49 0.00 -1.23 -0.89 119.26 121.27 2pu1 h ALA 282 Ca 0.19 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2pu1 h ALA 282 Cb 0.36 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.11 2pu1 h ALA 282 CO -0.43 0.42 -0.71 1.25 0.00 0.00 0.00 179.25 179.79 2pu1 h HIS 283 N 0.00 0.54 0.00 0.00 -0.00 -0.87 -3.39 115.15 111.43 2pu1 h HIS 283 Ca -0.00 -0.36 -0.15 0.00 -0.00 0.00 0.00 60.37 59.86 2pu1 h HIS 283 Cb 0.65 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.00 2pu1 h HIS 283 CO 0.00 1.24 -0.71 -0.44 -0.00 0.00 0.00 177.93 178.02 2pu1 h ASP 284 N -0.30 0.00 -3.96 3.26 3.32 -0.42 -3.47 116.42 114.85 2pu1 h ASP 284 Ca -0.11 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.60 2pu1 h ASP 284 Cb 1.50 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.91 2pu1 h ASP 284 CO 0.13 0.71 -0.71 -0.31 -1.72 0.00 0.00 179.24 177.35 2pu1 s TYR 285 N -3.22 1.30 -1.24 4.55 2.02 -0.37 -5.05 117.35 115.35 2pu1 s TYR 285 Ca 0.00 -0.79 -0.16 0.00 -0.37 0.00 0.00 57.07 55.76 2pu1 s TYR 285 Cb 0.11 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 2pu1 s TYR 285 CO 0.77 0.06 2.18 -0.35 -1.57 0.00 0.00 175.55 176.64 2pu1 n PRO 286 N -0.23 2.46 -3.05 -1.71 -0.04 -1.26 -4.51 135.00 126.66 2pu1 n PRO 286 Ca -0.09 -2.30 -0.43 0.00 -0.04 0.00 0.00 63.50 60.63 2pu1 n PRO 286 Cb 0.61 -3.11 -0.06 0.00 -0.04 0.00 0.00 33.50 30.90 2pu1 n PRO 286 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2pu1 s ILE 287 N 3.70 4.72 -1.12 0.52 1.01 -1.26 -0.61 121.20 128.16 2pu1 s ILE 287 Ca 0.51 -0.01 0.22 0.00 0.00 0.00 0.00 60.65 61.38 2pu1 s ILE 287 Cb 0.14 -4.33 -0.15 0.00 0.01 0.00 0.00 42.46 38.13 2pu1 s ILE 287 CO -0.02 -0.80 1.03 1.33 0.00 0.00 0.00 174.94 176.48 2pu1 n VAL 288 N 5.89 0.00 -3.68 2.92 0.24 -0.34 -4.52 118.33 118.84 2pu1 n VAL 288 Ca -0.02 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 2pu1 n VAL 288 Cb 0.47 0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 33.62 2pu1 n VAL 288 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2pu1 s SER 289 N -2.94 -0.67 -0.11 -1.34 0.15 -1.23 -1.35 113.70 106.21 2pu1 s SER 289 Ca 0.10 1.14 -0.01 0.00 0.70 0.00 0.00 55.95 57.88 2pu1 s SER 289 Cb 0.17 1.04 0.03 0.00 -1.71 0.00 0.00 66.02 65.55 2pu1 s SER 289 CO 0.80 -0.21 -0.03 -0.63 1.20 0.00 0.00 173.24 174.38 2pu1 s ILE 290 N 1.29 0.70 -0.11 6.45 1.01 -0.64 0.06 121.20 129.97 2pu1 s ILE 290 Ca -0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 2pu1 s ILE 290 Cb -0.06 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2pu1 s ILE 290 CO -0.13 0.23 0.13 -0.70 0.00 0.00 0.00 174.94 174.47 2pu1 s GLU 291 N 1.83 3.39 -1.34 2.79 2.12 0.37 -1.37 118.70 126.49 2pu1 s GLU 291 Ca 0.04 -0.18 -0.19 0.00 0.36 0.00 0.00 54.97 55.00 2pu1 s GLU 291 Cb -0.13 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.14 2pu1 s GLU 291 CO -0.07 0.76 0.44 -0.25 -0.54 0.00 0.00 175.26 175.61 2pu1 n ASP 292 N 1.91 -2.20 0.28 -1.70 8.00 -0.48 -1.33 116.55 121.04 2pu1 n ASP 292 Ca -0.19 -1.25 0.15 0.00 0.71 0.00 0.00 54.79 54.21 2pu1 n ASP 292 Cb 0.55 -1.91 0.84 0.00 -0.02 0.00 0.00 41.12 40.58 2pu1 n ASP 292 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2pu1 h PRO 293 N -2.23 0.00 -5.12 -0.24 0.13 -1.84 -2.43 132.00 120.26 2pu1 h PRO 293 Ca -0.69 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 63.98 2pu1 h PRO 293 Cb 1.40 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.39 2pu1 h PRO 293 CO 0.59 0.06 -0.59 0.71 -0.23 0.00 0.00 178.00 178.54 2pu1 s TYR 294 N -4.30 1.85 0.68 1.56 2.02 -1.26 -4.74 117.35 113.16 2pu1 s TYR 294 Ca -0.04 -1.06 -0.17 0.00 -0.37 0.00 0.00 57.07 55.44 2pu1 s TYR 294 Cb 0.13 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 2pu1 s TYR 294 CO 0.55 -0.11 0.75 -3.47 -1.57 0.00 0.00 175.55 171.70 2pu1 n ASP 295 N -0.74 -0.26 0.16 2.29 -0.08 -1.26 -4.25 116.55 112.41 2pu1 n ASP 295 Ca -0.02 0.67 0.13 0.00 -1.51 0.00 0.00 54.79 54.06 2pu1 n ASP 295 Cb 0.66 -1.31 0.57 0.00 2.34 0.00 0.00 41.12 43.38 2pu1 n ASP 295 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 2pu1 h GLN 296 N -0.10 0.00 -0.24 -0.67 3.07 -1.94 -0.98 115.11 114.26 2pu1 h GLN 296 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 2pu1 h GLN 296 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.91 2pu1 h GLN 296 CO 0.46 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 179.13 2pu1 n ASP 297 N -2.37 2.60 -4.24 0.06 10.43 -1.26 -4.35 116.55 117.43 2pu1 n ASP 297 Ca 0.01 -1.84 -0.43 0.00 2.57 0.00 0.00 54.79 55.10 2pu1 n ASP 297 Cb 0.18 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 42.98 2pu1 n ASP 297 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2pu1 n ASP 298 N 0.51 4.84 0.07 -2.24 4.64 -0.37 -4.75 116.55 119.25 2pu1 n ASP 298 Ca 0.10 -2.96 -0.01 0.00 -1.38 0.00 0.00 54.79 50.54 2pu1 n ASP 298 Cb 0.38 -1.63 0.26 0.00 -1.04 0.00 0.00 41.12 39.09 2pu1 n ASP 298 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 2pu1 h PHE 299 N 6.77 0.37 -0.39 -0.67 0.04 -1.89 -2.35 116.94 118.82 2pu1 h PHE 299 Ca 0.43 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 61.00 2pu1 h PHE 299 Cb 0.78 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2pu1 h PHE 299 CO 1.31 0.58 -0.23 0.00 -0.60 0.00 0.00 178.31 179.37 2pu1 h ALA 300 N 1.42 0.55 -0.06 2.45 0.00 -1.95 -0.53 119.26 121.15 2pu1 h ALA 300 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2pu1 h ALA 300 Cb 0.65 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2pu1 h ALA 300 CO 0.05 0.53 0.04 0.78 0.00 0.00 0.00 179.25 180.65 2pu1 h GLY 301 N 0.65 0.10 0.49 0.00 0.00 -1.92 -1.63 103.07 100.74 2pu1 h GLY 301 Ca 0.08 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.41 2pu1 h GLY 301 CO 0.06 0.04 -0.11 0.74 0.00 0.00 0.00 176.54 177.27 2pu1 h PHE 302 N 0.02 -0.27 -0.62 5.60 0.04 -1.32 -2.39 116.94 117.99 2pu1 h PHE 302 Ca 0.02 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.86 2pu1 h PHE 302 Cb 0.07 0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 2pu1 h PHE 302 CO -0.05 -0.17 0.34 0.00 -0.60 0.00 0.00 178.31 177.83 2pu1 h ALA 303 N 1.03 0.82 -0.26 2.45 0.00 -0.95 -0.85 119.26 121.50 2pu1 h ALA 303 Ca 0.10 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2pu1 h ALA 303 Cb 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2pu1 h ALA 303 CO -0.25 0.03 -0.06 0.78 0.00 0.00 0.00 179.25 179.75 2pu1 h GLY 304 N 0.65 0.19 1.48 0.00 0.00 -1.00 -1.08 103.07 103.32 2pu1 h GLY 304 Ca 0.27 0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.48 2pu1 h GLY 304 CO -0.16 -0.10 -0.81 1.19 0.00 0.00 0.00 176.54 176.66 2pu1 h ILE 305 N 0.00 1.36 -0.53 2.60 6.09 -1.14 -1.62 117.51 124.26 2pu1 h ILE 305 Ca 0.13 -2.19 0.07 0.00 -1.37 0.00 0.00 64.86 61.49 2pu1 h ILE 305 Cb 0.19 2.17 -0.06 0.00 0.47 0.00 0.00 36.82 39.60 2pu1 h ILE 305 CO -0.27 0.66 0.22 0.74 -3.07 0.00 0.00 178.15 176.44 2pu1 h THR 306 N 0.32 0.86 -0.18 2.19 2.02 -1.01 -1.36 112.91 115.75 2pu1 h THR 306 Ca -0.05 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 2pu1 h THR 306 Cb 1.41 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2pu1 h THR 306 CO 0.14 0.08 0.02 -0.08 0.37 0.00 0.00 175.52 176.05 2pu1 h GLU 307 N 0.42 0.30 0.00 6.66 4.57 -1.09 -1.94 114.58 123.50 2pu1 h GLU 307 Ca 0.25 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 2pu1 h GLU 307 Cb 0.25 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2pu1 h GLU 307 CO -0.23 0.49 -0.27 0.00 -1.18 0.00 0.00 179.01 177.82 2pu1 h ALA 308 N 0.80 1.55 -0.46 2.92 0.00 -1.01 -3.00 119.26 120.07 2pu1 h ALA 308 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pu1 h ALA 308 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2pu1 h ALA 308 CO 0.01 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.87 2pu1 n LEU 309 N -4.20 3.23 -4.58 0.00 4.77 -0.54 -5.04 117.00 110.64 2pu1 n LEU 309 Ca -0.02 -1.94 -0.53 0.00 -0.03 0.00 0.00 56.01 53.49 2pu1 n LEU 309 Cb 0.32 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 2pu1 n LEU 309 CO 0.37 0.80 0.87 1.17 -1.33 0.00 0.00 177.39 179.27 2pu1 n LYS 310 N 0.91 1.01 -0.08 3.23 4.81 -0.73 -1.04 118.16 126.27 2pu1 n LYS 310 Ca 0.16 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2pu1 n LYS 310 Cb 0.49 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2pu1 n LYS 310 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pu1 n GLY 311 N 2.42 2.62 0.53 3.14 0.00 -1.26 -4.75 105.19 107.89 2pu1 n GLY 311 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 2pu1 n GLY 311 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pu1 n LYS 312 N -2.00 0.11 -3.68 1.61 5.02 -0.48 -5.03 118.16 113.71 2pu1 n LYS 312 Ca 0.00 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 2pu1 n LYS 312 Cb 0.00 -0.83 -0.17 0.00 -0.02 0.00 0.00 35.03 34.00 2pu1 n LYS 312 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pu1 s THR 313 N -2.09 0.12 0.47 -0.18 2.01 -0.21 -4.55 115.64 111.21 2pu1 s THR 313 Ca -0.06 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 61.66 2pu1 s THR 313 Cb 0.02 -0.56 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 2pu1 s THR 313 CO 0.09 -0.06 1.23 0.00 -0.69 0.00 0.00 174.62 175.19 2pu1 s GLN 314 N 2.06 3.64 -0.22 4.92 -2.07 -0.45 -4.53 119.66 123.00 2pu1 s GLN 314 Ca 0.03 1.93 -0.04 0.00 -1.82 0.00 0.00 55.36 55.46 2pu1 s GLN 314 Cb -0.15 -2.42 -0.01 0.00 -1.09 0.00 0.00 33.01 29.34 2pu1 s GLN 314 CO -0.07 -0.70 -0.02 0.42 -1.32 0.00 0.00 175.29 173.61 2pu1 s ILE 315 N -1.45 3.55 -0.22 3.63 -1.09 -1.26 -1.61 121.20 122.75 2pu1 s ILE 315 Ca 0.65 -0.43 -0.07 0.00 -2.23 0.00 0.00 60.65 58.56 2pu1 s ILE 315 Cb -0.33 -2.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 2pu1 s ILE 315 CO 0.40 0.41 0.07 -0.69 -1.23 0.00 0.00 174.94 173.89 2pu1 s VAL 316 N 1.49 4.51 0.03 2.92 1.01 -0.47 -1.32 120.40 128.58 2pu1 s VAL 316 Ca 0.06 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 2pu1 s VAL 316 Cb -0.14 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2pu1 s VAL 316 CO -0.02 0.38 0.99 -0.83 0.00 0.00 0.00 175.10 175.62 2pu1 s GLY 317 N 1.15 2.91 0.00 4.51 0.00 -0.31 -1.38 107.32 114.20 2pu1 s GLY 317 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.33 2pu1 s GLY 317 CO 0.03 1.65 0.00 1.34 0.00 0.00 0.00 173.10 176.12 2pu1 n ASP 318 N 3.61 0.00 0.24 1.64 2.03 -1.26 -1.18 116.55 121.63 2pu1 n ASP 318 Ca 0.05 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.45 2pu1 n ASP 318 Cb 0.50 0.00 0.60 0.00 -0.72 0.00 0.00 41.12 41.50 2pu1 n ASP 318 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2pu1 h ASP 319 N 0.00 0.00 -0.61 1.67 3.45 -1.93 0.15 116.42 119.16 2pu1 h ASP 319 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2pu1 h ASP 319 Cb 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2pu1 h ASP 319 CO 0.00 0.16 0.34 0.25 -1.57 0.00 0.00 179.24 178.42 2pu1 h LEU 320 N 0.00 0.75 0.00 1.55 5.85 -1.87 -3.35 115.31 118.23 2pu1 h LEU 320 Ca -0.00 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 2pu1 h LEU 320 Cb 0.34 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2pu1 h LEU 320 CO 0.02 0.62 -1.78 0.35 -0.34 0.00 0.00 178.44 177.31 2pu1 n THR 321 N -4.58 0.35 -3.71 1.05 -2.24 -1.11 -4.86 114.28 99.19 2pu1 n THR 321 Ca 0.04 -0.43 -0.27 0.00 -2.27 0.00 0.00 64.05 61.12 2pu1 n THR 321 Cb 0.08 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 2pu1 n THR 321 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2pu1 n VAL 322 N -2.20 -0.30 -3.32 2.28 0.24 0.03 -1.38 118.33 113.67 2pu1 n VAL 322 Ca -0.10 -0.15 -0.23 0.00 -2.04 0.00 0.00 64.34 61.82 2pu1 n VAL 322 Cb 0.60 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 2pu1 n VAL 322 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2pu1 n THR 323 N -3.23 -1.14 -3.99 3.34 -1.04 -1.26 -4.28 114.28 102.68 2pu1 n THR 323 Ca -0.05 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.66 2pu1 n THR 323 Cb 0.39 -2.06 -0.16 0.00 -1.82 0.00 0.00 70.33 66.69 2pu1 n THR 323 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2pu1 s ASN 324 N -2.72 3.11 0.47 8.00 3.84 -0.48 -4.64 114.94 122.51 2pu1 s ASN 324 Ca 0.39 -0.74 0.20 0.00 0.21 0.00 0.00 52.86 52.92 2pu1 s ASN 324 Cb -0.20 -1.18 1.19 0.00 -0.55 0.00 0.00 41.25 40.52 2pu1 s ASN 324 CO 0.48 -0.12 1.94 0.71 -2.79 0.00 0.00 177.10 177.32 2pu1 h THR 325 N 6.29 0.76 -0.41 -5.21 1.35 -1.89 0.00 112.91 113.80 2pu1 h THR 325 Ca -0.31 -0.09 -0.04 0.00 -0.55 0.00 0.00 66.41 65.43 2pu1 h THR 325 Cb 1.11 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 2pu1 h THR 325 CO 0.48 0.05 0.10 -0.33 -0.25 0.00 0.00 175.52 175.57 2pu1 h GLU 326 N 0.25 0.65 -0.25 4.72 4.39 -1.95 -0.53 114.58 121.85 2pu1 h GLU 326 Ca 0.33 -0.15 -0.17 0.00 0.34 0.00 0.00 59.36 59.71 2pu1 h GLU 326 Cb 0.96 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2pu1 h GLU 326 CO -0.07 0.67 -0.54 0.00 -1.16 0.00 0.00 179.01 177.90 2pu1 h ARG 327 N 0.51 0.74 -0.97 2.33 2.47 -1.49 -2.72 114.38 115.25 2pu1 h ARG 327 Ca 0.13 -0.47 0.01 0.00 -1.26 0.00 0.00 59.98 58.39 2pu1 h ARG 327 Cb 0.31 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.63 2pu1 h ARG 327 CO 0.00 1.09 0.63 0.82 0.56 0.00 0.00 179.97 183.07 2pu1 h ILE 328 N 0.57 1.25 -0.68 2.04 2.04 -0.96 -0.71 117.51 121.06 2pu1 h ILE 328 Ca 0.01 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2pu1 h ILE 328 Cb 1.12 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2pu1 h ILE 328 CO 0.11 0.25 0.26 0.11 0.00 0.00 0.00 178.15 178.88 2pu1 h LYS 329 N 1.32 1.01 -0.43 2.37 1.57 -0.92 0.81 116.57 122.30 2pu1 h LYS 329 Ca 0.35 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2pu1 h LYS 329 Cb -0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 2pu1 h LYS 329 CO -0.07 0.83 0.11 0.52 -0.57 0.00 0.00 179.45 180.27 2pu1 h MET 330 N 0.99 0.69 -0.61 3.15 2.86 -1.04 -1.65 114.93 119.32 2pu1 h MET 330 Ca 0.23 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2pu1 h MET 330 Cb 0.21 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2pu1 h MET 330 CO -0.02 0.69 0.39 0.00 1.06 0.00 0.00 176.91 179.03 2pu1 h ALA 331 N 0.96 0.77 0.00 6.32 0.00 -0.79 -2.06 119.26 124.47 2pu1 h ALA 331 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pu1 h ALA 331 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2pu1 h ALA 331 CO 0.00 0.23 -0.02 0.82 0.00 0.00 0.00 179.25 180.28 2pu1 h ILE 332 N 0.82 0.95 -0.90 0.00 2.04 -0.76 0.74 117.51 120.41 2pu1 h ILE 332 Ca 0.22 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.24 2pu1 h ILE 332 Cb -0.06 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2pu1 h ILE 332 CO -0.04 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 178.60 2pu1 h GLU 333 N -0.03 0.62 -0.20 2.37 4.81 -1.12 -1.70 114.58 119.32 2pu1 h GLU 333 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2pu1 h GLU 333 Cb 0.04 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2pu1 h GLU 333 CO -0.02 0.41 0.00 1.63 -0.73 0.00 0.00 179.01 180.30 2pu1 n LYS 334 N -4.57 2.34 -4.14 1.92 5.02 -0.79 -4.95 118.16 113.00 2pu1 n LYS 334 Ca 0.18 -1.99 -0.31 0.00 -2.02 0.00 0.00 58.31 54.17 2pu1 n LYS 334 Cb 0.52 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 2pu1 n LYS 334 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pu1 n LYS 335 N 1.29 -2.59 0.14 1.97 5.02 -0.47 -4.73 118.16 118.78 2pu1 n LYS 335 Ca 0.17 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2pu1 n LYS 335 Cb 0.57 -4.49 0.14 0.00 -0.02 0.00 0.00 35.03 31.24 2pu1 n LYS 335 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pu1 h ALA 336 N 0.85 0.81 -2.94 7.82 0.00 -1.18 -3.38 119.26 121.23 2pu1 h ALA 336 Ca -0.62 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 53.80 2pu1 h ALA 336 Cb 1.38 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2pu1 h ALA 336 CO 0.70 0.76 0.26 0.00 0.00 0.00 0.00 179.25 180.97 2pu1 n ASN 338 N -0.62 0.38 -3.80 0.00 0.23 -0.43 -4.88 115.26 106.14 2pu1 n ASN 338 Ca -0.05 -2.09 -0.13 0.00 -0.53 0.00 0.00 54.58 51.79 2pu1 n ASN 338 Cb 0.59 -0.22 -0.12 0.00 -2.08 0.00 0.00 39.78 37.95 2pu1 n ASN 338 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2pu1 s SER 339 N -1.21 -0.20 -0.23 0.53 0.15 -0.81 -1.80 113.70 110.13 2pu1 s SER 339 Ca 0.05 0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.99 2pu1 s SER 339 Cb 0.04 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2pu1 s SER 339 CO 0.00 -0.07 0.13 -0.22 1.20 0.00 0.00 173.24 174.28 2pu1 s LEU 340 N 0.20 4.02 -0.45 3.45 2.96 -0.31 -1.17 118.68 127.38 2pu1 s LEU 340 Ca -0.01 0.09 -0.27 0.00 -0.22 0.00 0.00 54.13 53.73 2pu1 s LEU 340 Cb -0.02 -2.07 0.03 0.00 0.50 0.00 0.00 46.19 44.63 2pu1 s LEU 340 CO -0.00 0.08 0.99 -0.22 -1.32 0.00 0.00 176.35 175.88 2pu1 s LEU 341 N 0.94 3.90 -0.34 -0.68 2.96 -0.33 -0.44 118.68 124.70 2pu1 s LEU 341 Ca 0.07 0.28 -0.17 0.00 -0.22 0.00 0.00 54.13 54.09 2pu1 s LEU 341 Cb -0.13 -3.31 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 2pu1 s LEU 341 CO 0.03 -1.09 0.45 -0.22 -1.32 0.00 0.00 176.35 174.20 2pu1 s LEU 342 N 3.93 4.34 -0.27 -0.68 0.20 0.07 -4.42 118.68 121.84 2pu1 s LEU 342 Ca 0.40 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 55.18 2pu1 s LEU 342 Cb -0.09 -2.48 0.08 0.00 -0.43 0.00 0.00 46.19 43.26 2pu1 s LEU 342 CO 0.27 -0.39 0.01 -0.54 -0.29 0.00 0.00 176.35 175.41 2pu1 s LYS 343 N 2.22 1.29 0.38 1.98 1.02 -1.26 -1.43 119.74 123.93 2pu1 s LYS 343 Ca 0.16 -1.13 0.12 0.00 0.02 0.00 0.00 55.97 55.14 2pu1 s LYS 343 Cb -0.16 -2.51 0.91 0.00 -0.52 0.00 0.00 37.83 35.55 2pu1 s LYS 343 CO 0.12 -0.76 1.88 -0.84 -0.92 0.00 0.00 175.35 174.83 2pu1 h ILE 344 N 6.60 0.80 -0.01 2.17 3.07 -1.95 -0.20 117.51 127.99 2pu1 h ILE 344 Ca -0.14 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.07 2pu1 h ILE 344 Cb 1.05 0.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 2pu1 h ILE 344 CO 0.44 0.11 0.00 -0.46 -1.05 0.00 0.00 178.15 177.19 2pu1 n ASN 345 N -4.54 0.52 0.21 2.16 6.94 -1.26 -0.67 115.26 118.62 2pu1 n ASN 345 Ca 0.17 -1.24 0.10 0.00 -0.02 0.00 0.00 54.58 53.60 2pu1 n ASN 345 Cb 0.51 -0.01 0.16 0.00 -2.36 0.00 0.00 39.78 38.09 2pu1 n ASN 345 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 2pu1 h GLN 346 N 0.79 0.00 0.00 -3.83 4.20 -1.32 -3.40 115.11 111.55 2pu1 h GLN 346 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2pu1 h GLN 346 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2pu1 h GLN 346 CO 0.00 0.09 -1.03 1.51 -0.67 0.00 0.00 178.83 178.73 2pu1 n ILE 347 N -3.12 0.03 0.00 2.54 0.13 -1.11 -1.35 119.36 116.48 2pu1 n ILE 347 Ca 0.04 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.67 2pu1 n ILE 347 Cb 0.56 -0.61 0.00 0.00 -0.84 0.00 0.00 39.64 38.75 2pu1 n ILE 347 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2pu1 n GLY 348 N 3.43 0.54 3.10 4.50 0.00 0.16 -4.81 105.19 112.11 2pu1 n GLY 348 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2pu1 n GLY 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pu1 s THR 349 N -2.00 0.72 0.21 2.61 -4.23 -1.26 -2.70 115.64 109.00 2pu1 s THR 349 Ca 0.00 -1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 59.24 2pu1 s THR 349 Cb 0.00 -0.78 0.16 0.00 1.34 0.00 0.00 72.50 73.22 2pu1 s THR 349 CO 0.00 -0.35 1.88 0.40 -0.54 0.00 0.00 174.62 176.01 2pu1 h ILE 350 N 4.39 1.20 -0.55 2.99 1.08 -1.89 -1.55 117.51 123.18 2pu1 h ILE 350 Ca -0.37 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 2pu1 h ILE 350 Cb 1.20 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 2pu1 h ILE 350 CO 0.41 0.20 0.31 0.28 -0.69 0.00 0.00 178.15 178.66 2pu1 h SER 351 N 1.05 0.68 -0.30 1.72 0.02 -1.96 0.41 113.55 115.18 2pu1 h SER 351 Ca 0.28 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2pu1 h SER 351 Cb -0.10 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2pu1 h SER 351 CO -0.06 0.56 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.53 2pu1 h GLU 352 N 0.74 0.83 -0.58 3.45 5.08 -1.95 -1.29 114.58 120.86 2pu1 h GLU 352 Ca 0.19 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2pu1 h GLU 352 Cb 0.03 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2pu1 h GLU 352 CO -0.03 1.03 0.29 0.00 -1.00 0.00 0.00 179.01 179.30 2pu1 h ALA 353 N 0.93 0.74 -0.39 3.43 0.00 -0.90 -0.42 119.26 122.66 2pu1 h ALA 353 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2pu1 h ALA 353 Cb 0.89 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2pu1 h ALA 353 CO 0.08 0.29 0.18 0.82 0.00 0.00 0.00 179.25 180.62 2pu1 h ILE 354 N 0.78 1.18 -0.70 0.00 2.04 -0.77 -1.42 117.51 118.62 2pu1 h ILE 354 Ca 0.20 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.65 2pu1 h ILE 354 Cb 0.10 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 2pu1 h ILE 354 CO -0.03 0.19 0.32 0.00 0.00 0.00 0.00 178.15 178.63 2pu1 h ALA 355 N 1.03 0.95 -0.20 1.87 0.00 -1.03 -0.45 119.26 121.44 2pu1 h ALA 355 Ca 0.13 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pu1 h ALA 355 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pu1 h ALA 355 CO -0.02 -0.11 0.12 0.77 0.00 0.00 0.00 179.25 180.01 2pu1 h SER 356 N 0.53 0.23 -0.17 0.00 0.02 -0.57 -1.32 113.55 112.27 2pu1 h SER 356 Ca 0.35 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.29 2pu1 h SER 356 Cb 0.42 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2pu1 h SER 356 CO -0.30 0.20 -0.00 -1.28 -1.14 0.00 0.00 176.83 174.31 2pu1 h SER 357 N 0.24 -0.08 -0.60 3.07 0.87 -0.81 -1.45 113.55 114.79 2pu1 h SER 357 Ca 0.07 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2pu1 h SER 357 Cb 0.01 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2pu1 h SER 357 CO -0.01 -0.01 0.39 0.11 -0.53 0.00 0.00 176.83 176.77 2pu1 h LYS 358 N 0.05 0.77 -0.32 2.24 1.57 -1.00 -0.31 116.57 119.56 2pu1 h LYS 358 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2pu1 h LYS 358 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2pu1 h LYS 358 CO -0.14 0.51 0.16 1.25 -0.57 0.00 0.00 179.45 180.66 2pu1 h LEU 359 N 0.79 0.42 -0.13 2.94 5.85 -1.00 -1.07 115.31 123.11 2pu1 h LEU 359 Ca 0.23 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2pu1 h LEU 359 Cb -0.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2pu1 h LEU 359 CO -0.07 0.42 0.08 0.00 -0.34 0.00 0.00 178.44 178.53 2pu1 h MET 361 N 0.15 1.09 0.00 0.00 2.86 -0.95 -0.82 114.93 117.26 2pu1 h MET 361 Ca 0.05 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2pu1 h MET 361 Cb 0.02 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2pu1 h MET 361 CO -0.01 0.92 -0.05 0.93 1.06 0.00 0.00 176.91 179.76 2pu1 h GLU 362 N 1.05 0.00 -0.51 1.72 5.08 -1.15 -1.67 114.58 119.10 2pu1 h GLU 362 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2pu1 h GLU 362 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2pu1 h GLU 362 CO -0.01 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 2pu1 n ASN 363 N -3.44 5.17 0.00 1.42 4.13 -0.80 -4.95 115.26 116.78 2pu1 n ASN 363 Ca -0.02 -2.88 0.00 0.00 1.68 0.00 0.00 54.58 53.36 2pu1 n ASN 363 Cb 0.18 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 2pu1 n ASN 363 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pu1 n GLY 364 N 0.43 0.60 3.86 7.41 0.00 -0.63 -5.05 105.19 111.83 2pu1 n GLY 364 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2pu1 n GLY 364 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pu1 s TRP 365 N -2.07 3.48 0.65 1.61 0.52 -0.38 -4.99 118.94 117.76 2pu1 s TRP 365 Ca 0.00 1.21 -0.07 0.00 0.02 0.00 0.00 56.10 57.26 2pu1 s TRP 365 Cb 0.00 -2.59 0.03 0.00 -1.15 0.00 0.00 33.47 29.76 2pu1 s TRP 365 CO 0.00 -0.26 0.97 -1.54 0.02 0.00 0.00 176.95 176.14 2pu1 s SER 366 N -3.26 5.24 -0.07 2.95 1.04 -0.75 -4.12 113.70 114.73 2pu1 s SER 366 Ca 0.54 0.65 -0.00 0.00 0.48 0.00 0.00 55.95 57.62 2pu1 s SER 366 Cb -0.10 -1.48 0.03 0.00 0.10 0.00 0.00 66.02 64.57 2pu1 s SER 366 CO 0.34 -1.33 -0.03 -0.69 0.98 0.00 0.00 173.24 172.51 2pu1 s VAL 367 N -3.14 0.55 -0.36 5.02 1.01 -1.26 -1.16 120.40 121.05 2pu1 s VAL 367 Ca 0.57 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 2pu1 s VAL 367 Cb -0.11 -0.64 0.07 0.00 0.00 0.00 0.00 36.38 35.70 2pu1 s VAL 367 CO 0.46 0.27 0.13 -0.32 0.00 0.00 0.00 175.10 175.64 2pu1 s MET 368 N 1.59 2.44 0.30 2.72 0.00 0.42 -4.23 119.30 122.54 2pu1 s MET 368 Ca -0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 55.69 54.00 2pu1 s MET 368 Cb -0.13 -3.49 -0.10 0.00 0.00 0.00 0.00 34.83 31.11 2pu1 s MET 368 CO -0.04 -0.80 1.28 0.08 0.00 0.00 0.00 175.02 175.53 2pu1 s VAL 369 N 1.32 2.91 0.03 10.11 1.01 -0.77 -0.75 120.40 134.25 2pu1 s VAL 369 Ca 0.01 0.88 0.03 0.00 0.00 0.00 0.00 61.98 62.90 2pu1 s VAL 369 Cb -0.21 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2pu1 s VAL 369 CO 0.00 0.20 -0.10 -0.55 0.00 0.00 0.00 175.10 174.65 2pu1 s SER 370 N -0.41 1.10 1.20 3.32 0.15 -0.52 -1.16 113.70 117.38 2pu1 s SER 370 Ca 0.50 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.53 2pu1 s SER 370 Cb -0.38 -0.04 0.29 0.00 -1.71 0.00 0.00 66.02 64.18 2pu1 s SER 370 CO 0.49 -0.06 1.15 0.00 1.20 0.00 0.00 173.24 176.01 2pu1 n HIS 371 N 1.94 -3.92 -4.02 3.44 1.44 -0.70 -4.64 115.22 108.76 2pu1 n HIS 371 Ca -0.19 -1.03 -0.22 0.00 -2.01 0.00 0.00 57.72 54.27 2pu1 n HIS 371 Cb 0.55 -1.12 -0.05 0.00 0.12 0.00 0.00 29.99 29.49 2pu1 n HIS 371 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2pu1 s ARG 372 N -5.58 2.56 0.47 -1.40 1.81 -1.26 -5.00 118.95 110.55 2pu1 s ARG 372 Ca 0.72 -1.39 0.22 0.00 -1.72 0.00 0.00 55.73 53.56 2pu1 s ARG 372 Cb -0.06 -2.33 1.18 0.00 -0.45 0.00 0.00 34.95 33.29 2pu1 s ARG 372 CO 0.54 0.16 1.99 0.66 -0.68 0.00 0.00 175.30 177.97 2pu1 h SER 373 N 1.47 0.00 -3.31 0.23 4.64 -1.94 -3.34 113.55 111.30 2pu1 h SER 373 Ca -0.45 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.15 2pu1 h SER 373 Cb 1.25 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.13 2pu1 h SER 373 CO 0.61 0.19 -0.27 -0.83 -0.87 0.00 0.00 176.83 175.66 2pu1 s GLY 374 N -4.22 2.00 0.49 -0.77 0.00 0.06 -4.67 107.32 100.21 2pu1 s GLY 374 Ca -0.03 -2.01 0.04 0.00 0.00 0.00 0.00 44.72 42.72 2pu1 s GLY 374 CO 0.64 1.12 0.18 -0.54 0.00 0.00 0.00 173.10 174.49 2pu1 s GLU 375 N 1.82 2.21 0.30 2.90 0.41 -1.25 -0.19 118.70 124.90 2pu1 s GLU 375 Ca 0.06 -2.13 0.04 0.00 -0.41 0.00 0.00 54.97 52.53 2pu1 s GLU 375 Cb -0.23 -1.83 -0.01 0.00 -1.78 0.00 0.00 34.13 30.28 2pu1 s GLU 375 CO 0.08 -0.37 0.14 0.25 -0.49 0.00 0.00 175.26 174.87 2pu1 n THR 376 N -1.41 0.00 0.59 3.63 -2.24 -1.26 -0.42 114.28 113.17 2pu1 n THR 376 Ca -0.08 -1.86 0.06 0.00 -2.27 0.00 0.00 64.05 59.89 2pu1 n THR 376 Cb 0.66 0.73 0.31 0.00 -2.10 0.00 0.00 70.33 69.92 2pu1 n THR 376 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2pu1 n GLU 377 N -0.66 0.21 -1.69 -0.78 0.00 -1.26 -4.56 120.64 111.89 2pu1 n GLU 377 Ca -0.02 0.14 -0.43 0.00 0.00 0.00 0.00 57.16 56.85 2pu1 n GLU 377 Cb 0.47 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.41 2pu1 n GLU 377 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2pu1 n ASP 378 N -1.22 2.65 -0.11 -1.84 -0.08 -1.26 -4.92 116.55 109.77 2pu1 n ASP 378 Ca 0.06 1.21 0.05 0.00 -1.51 0.00 0.00 54.79 54.60 2pu1 n ASP 378 Cb 0.08 -1.47 0.09 0.00 2.34 0.00 0.00 41.12 42.16 2pu1 n ASP 378 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2pu1 n THR 379 N 0.34 1.49 -0.29 5.18 -2.24 -1.26 -4.71 114.28 112.79 2pu1 n THR 379 Ca 0.05 -1.64 0.11 0.00 -2.27 0.00 0.00 64.05 60.30 2pu1 n THR 379 Cb 0.36 0.11 0.26 0.00 -2.10 0.00 0.00 70.33 68.96 2pu1 n THR 379 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2pu1 h TYR 380 N 0.19 0.28 0.00 4.78 3.20 -1.96 -1.28 116.97 122.19 2pu1 h TYR 380 Ca 0.00 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2pu1 h TYR 380 Cb 0.80 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 2pu1 h TYR 380 CO 0.04 -0.20 -0.12 -0.84 -1.64 0.00 0.00 178.16 175.40 2pu1 h ILE 381 N 0.20 0.55 0.20 1.81 3.07 -1.96 -0.69 117.51 120.69 2pu1 h ILE 381 Ca 0.52 -0.56 -0.01 0.00 1.55 0.00 0.00 64.86 66.36 2pu1 h ILE 381 Cb 1.01 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 2pu1 h ILE 381 CO -0.64 0.12 -0.10 0.00 -1.05 0.00 0.00 178.15 176.48 2pu1 h ALA 382 N 1.88 -0.27 -0.56 0.16 0.00 -1.53 -0.73 119.26 118.21 2pu1 h ALA 382 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2pu1 h ALA 382 Cb 0.36 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2pu1 h ALA 382 CO 0.02 -0.59 0.33 -0.44 0.00 0.00 0.00 179.25 178.57 2pu1 h ASP 383 N -0.40 0.68 -0.27 0.00 5.19 -1.49 -2.97 116.42 117.17 2pu1 h ASP 383 Ca -0.03 -0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.34 2pu1 h ASP 383 Cb 0.31 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 2pu1 h ASP 383 CO 0.05 0.55 0.10 0.25 -3.12 0.00 0.00 179.24 177.06 2pu1 h LEU 384 N 0.75 0.11 -0.85 1.55 5.85 -1.02 -0.71 115.31 120.99 2pu1 h LEU 384 Ca 0.20 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 2pu1 h LEU 384 Cb -0.00 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2pu1 h LEU 384 CO -0.04 0.10 0.20 1.62 -0.34 0.00 0.00 178.44 179.98 2pu1 h VAL 385 N 0.22 1.25 -0.39 1.05 3.04 -1.11 -0.50 116.25 119.82 2pu1 h VAL 385 Ca 0.12 -0.88 -0.05 0.00 -1.01 0.00 0.00 66.70 64.88 2pu1 h VAL 385 Cb 0.08 0.51 -0.01 0.00 -2.01 0.00 0.00 31.29 29.86 2pu1 h VAL 385 CO -0.12 0.34 0.05 0.58 -1.01 0.00 0.00 177.57 177.41 2pu1 h VAL 386 N 1.01 1.25 -0.90 1.51 2.07 -1.41 -1.95 116.25 117.83 2pu1 h VAL 386 Ca 0.22 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.88 2pu1 h VAL 386 Cb 0.30 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2pu1 h VAL 386 CO -0.01 0.30 0.59 0.00 0.02 0.00 0.00 177.57 178.48 2pu1 h ALA 387 N 0.91 1.43 0.00 1.67 0.00 -0.46 -1.89 119.26 120.92 2pu1 h ALA 387 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pu1 h ALA 387 Cb 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pu1 h ALA 387 CO 0.01 0.48 -0.03 -0.07 0.00 0.00 0.00 179.25 179.64 2pu1 h LEU 388 N 1.12 0.00 1.59 0.00 3.38 -1.03 -3.37 115.31 117.01 2pu1 h LEU 388 Ca 0.36 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 58.03 2pu1 h LEU 388 Cb 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2pu1 h LEU 388 CO -0.11 0.00 -0.33 0.61 0.09 0.00 0.00 178.44 178.70 2pu1 n GLY 389 N 1.24 0.34 0.18 0.83 0.00 -0.71 -4.89 105.19 102.18 2pu1 n GLY 389 Ca 0.05 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.84 2pu1 n GLY 389 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pu1 h SER 390 N 0.00 0.00 0.00 1.61 4.64 -1.83 -3.43 113.55 114.55 2pu1 h SER 390 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2pu1 h SER 390 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2pu1 h SER 390 CO 0.41 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 2pu1 n GLY 391 N 1.05 0.82 2.77 -0.77 0.00 -1.26 -4.67 105.19 103.13 2pu1 n GLY 391 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2pu1 n GLY 391 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pu1 s GLN 392 N -0.03 0.12 -0.00 1.61 -0.21 -1.26 -0.62 119.66 119.27 2pu1 s GLN 392 Ca 0.00 0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.58 2pu1 s GLN 392 Cb 0.00 -0.43 -0.01 0.00 1.00 0.00 0.00 33.01 33.58 2pu1 s GLN 392 CO 0.00 -0.19 -0.06 -1.50 -2.12 0.00 0.00 175.29 171.42 2pu1 s ILE 393 N 1.31 0.46 -0.18 1.08 2.07 -0.75 -1.84 121.20 123.35 2pu1 s ILE 393 Ca -0.06 -0.28 0.01 0.00 -1.41 0.00 0.00 60.65 58.92 2pu1 s ILE 393 Cb -0.13 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.09 2pu1 s ILE 393 CO -0.03 0.11 -0.20 -1.59 -1.91 0.00 0.00 174.94 171.33 2pu1 s LYS 394 N -0.18 3.00 -0.00 3.50 -2.85 -0.31 -0.46 119.74 122.42 2pu1 s LYS 394 Ca 0.02 -0.83 0.16 0.00 -1.00 0.00 0.00 55.97 54.32 2pu1 s LYS 394 Cb -0.02 -2.56 0.27 0.00 -2.06 0.00 0.00 37.83 33.45 2pu1 s LYS 394 CO -0.00 -0.20 1.11 -2.37 0.10 0.00 0.00 175.35 173.99 2pu1 n THR 395 N 4.58 0.05 0.00 3.79 5.66 -1.26 -1.72 114.28 125.38 2pu1 n THR 395 Ca -0.21 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.12 2pu1 n THR 395 Cb 0.50 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 2pu1 n THR 395 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pu1 n GLY 396 N 0.27 2.19 3.57 1.09 0.00 -1.26 -4.47 105.19 106.58 2pu1 n GLY 396 Ca 0.04 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 2pu1 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu1 n ALA 397 N 0.21 -1.65 -1.05 4.61 0.00 -0.73 -3.72 120.51 118.18 2pu1 n ALA 397 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 53.44 52.45 2pu1 n ALA 397 Cb 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.33 2pu1 n ALA 397 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pu1 n PRO 398 N -3.87 2.79 -3.63 0.00 -0.04 -1.26 -4.63 135.00 124.34 2pu1 n PRO 398 Ca 0.09 -1.66 -0.11 0.00 -0.04 0.00 0.00 63.50 61.77 2pu1 n PRO 398 Cb 0.53 -2.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.44 2pu1 n PRO 398 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pu1 n ARG 400 N 2.67 0.00 -0.24 0.00 1.74 -1.26 -4.29 116.66 115.28 2pu1 n ARG 400 Ca -0.14 0.15 0.23 0.00 -0.77 0.00 0.00 57.85 57.32 2pu1 n ARG 400 Cb 0.56 0.00 0.59 0.00 -1.02 0.00 0.00 32.46 32.59 2pu1 n ARG 400 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2pu1 h GLY 401 N 0.00 0.61 2.00 -0.13 0.00 -1.98 0.11 103.07 103.68 2pu1 h GLY 401 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2pu1 h GLY 401 CO 0.00 -0.03 0.00 -1.84 0.00 0.00 0.00 176.54 174.67 2pu1 n GLU 402 N -4.44 0.00 -0.12 4.80 0.00 -1.26 -1.22 120.64 118.40 2pu1 n GLU 402 Ca 0.20 0.14 -0.21 0.00 0.00 0.00 0.00 57.16 57.30 2pu1 n GLU 402 Cb 0.84 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.71 2pu1 n GLU 402 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2pu1 n ARG 403 N -1.50 0.56 0.24 3.44 5.12 0.21 -4.51 116.66 120.22 2pu1 n ARG 403 Ca 0.05 0.24 0.08 0.00 -1.93 0.00 0.00 57.85 56.29 2pu1 n ARG 403 Cb 0.24 -1.46 0.60 0.00 -1.16 0.00 0.00 32.46 30.68 2pu1 n ARG 403 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2pu1 h THR 404 N -1.00 0.93 -0.83 0.55 1.35 -1.16 -1.88 112.91 110.88 2pu1 h THR 404 Ca -0.40 -0.53 0.03 0.00 -0.55 0.00 0.00 66.41 64.96 2pu1 h THR 404 Cb 1.35 1.30 -0.05 0.00 -1.73 0.00 0.00 68.15 69.02 2pu1 h THR 404 CO -0.24 0.14 0.53 0.00 -0.25 0.00 0.00 175.52 175.70 2pu1 h ALA 405 N 1.85 1.08 -0.24 6.62 0.00 -1.41 0.24 119.26 127.42 2pu1 h ALA 405 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2pu1 h ALA 405 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pu1 h ALA 405 CO 0.02 0.37 0.06 0.87 0.00 0.00 0.00 179.25 180.57 2pu1 h LYS 406 N 1.04 0.38 -0.94 0.00 6.56 -1.58 -1.38 116.57 120.64 2pu1 h LYS 406 Ca 0.33 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 2pu1 h LYS 406 Cb -0.00 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.56 2pu1 h LYS 406 CO -0.11 0.48 0.59 -0.07 -2.06 0.00 0.00 179.45 178.28 2pu1 h LEU 407 N 0.21 1.11 -0.32 2.94 3.38 -1.20 -1.38 115.31 120.04 2pu1 h LEU 407 Ca 0.08 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2pu1 h LEU 407 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2pu1 h LEU 407 CO 0.00 0.83 -0.18 0.78 0.09 0.00 0.00 178.44 179.97 2pu1 h ASN 408 N 1.29 0.72 -0.99 -0.43 2.35 -0.51 -1.53 115.58 116.48 2pu1 h ASN 408 Ca 0.34 -0.42 0.06 0.00 -0.55 0.00 0.00 56.30 55.73 2pu1 h ASN 408 Cb -0.09 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.02 2pu1 h ASN 408 CO -0.07 0.98 0.65 -0.61 -1.65 0.00 0.00 177.43 176.73 2pu1 h GLN 409 N 0.46 1.15 -0.76 0.81 5.75 -0.84 -1.79 115.11 119.89 2pu1 h GLN 409 Ca 0.07 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2pu1 h GLN 409 Cb 0.72 -0.26 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 2pu1 h GLN 409 CO 0.05 0.76 0.46 -0.07 -2.65 0.00 0.00 178.83 177.39 2pu1 h LEU 410 N 1.19 0.74 -0.60 -2.39 3.38 -0.94 -0.53 115.31 116.15 2pu1 h LEU 410 Ca 0.42 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.50 2pu1 h LEU 410 Cb 0.13 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 2pu1 h LEU 410 CO -0.16 0.49 0.21 -0.07 0.09 0.00 0.00 178.44 179.01 2pu1 h LEU 411 N 0.87 0.20 -0.42 1.67 3.38 -0.57 -0.07 115.31 120.38 2pu1 h LEU 411 Ca 0.32 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 2pu1 h LEU 411 Cb 0.10 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2pu1 h LEU 411 CO -0.15 0.12 0.13 0.03 0.09 0.00 0.00 178.44 178.66 2pu1 h ARG 412 N 0.39 0.65 -0.29 1.13 3.08 -0.76 -1.37 114.38 117.21 2pu1 h ARG 412 Ca 0.31 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2pu1 h ARG 412 Cb 0.39 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2pu1 h ARG 412 CO -0.32 0.65 0.13 0.82 -1.07 0.00 0.00 179.97 180.18 2pu1 h ILE 413 N 0.53 1.16 -0.81 2.04 2.04 -0.93 -1.96 117.51 119.58 2pu1 h ILE 413 Ca 0.13 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.63 2pu1 h ILE 413 Cb 0.27 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 2pu1 h ILE 413 CO -0.00 0.16 0.47 -0.08 0.00 0.00 0.00 178.15 178.70 2pu1 h GLU 414 N 0.33 0.77 -0.67 2.37 4.81 -0.83 -1.04 114.58 120.33 2pu1 h GLU 414 Ca 0.10 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2pu1 h GLU 414 Cb 0.13 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2pu1 h GLU 414 CO -0.01 0.51 0.12 1.49 -0.73 0.00 0.00 179.01 180.39 2pu1 h GLU 415 N 0.80 1.09 -0.46 1.92 4.81 -1.00 -1.22 114.58 120.52 2pu1 h GLU 415 Ca 0.39 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2pu1 h GLU 415 Cb 0.33 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2pu1 h GLU 415 CO -0.23 0.99 0.00 0.93 -0.73 0.00 0.00 179.01 179.97 2pu1 h GLU 416 N 1.03 0.76 0.00 1.92 5.08 -0.54 -3.02 114.58 119.80 2pu1 h GLU 416 Ca 0.20 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2pu1 h GLU 416 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2pu1 h GLU 416 CO 0.01 0.77 -0.84 -0.07 -1.00 0.00 0.00 179.01 177.88 2pu1 h LEU 417 N 0.71 0.00 0.00 1.33 3.38 -0.95 -3.50 115.31 116.28 2pu1 h LEU 417 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pu1 h LEU 417 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2pu1 h LEU 417 CO 0.02 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.76 2pu1 n GLY 418 N 1.29 -2.52 0.29 0.83 0.00 -0.48 -4.31 105.19 100.29 2pu1 n GLY 418 Ca -0.02 -1.64 0.18 0.00 0.00 0.00 0.00 46.02 44.54 2pu1 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu1 h ALA 419 N 0.00 1.08 -0.01 4.61 0.00 -1.90 -2.43 119.26 120.61 2pu1 h ALA 419 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pu1 h ALA 419 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2pu1 h ALA 419 CO 0.00 0.05 -0.14 0.72 0.00 0.00 0.00 179.25 179.88 2pu1 n HIS 420 N -3.25 0.00 -1.91 0.00 8.25 -1.26 -4.92 115.22 112.13 2pu1 n HIS 420 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2pu1 n HIS 420 Cb 0.22 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 2pu1 n HIS 420 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pu1 s ALA 421 N -2.35 3.56 0.34 -1.41 0.00 -0.92 -4.98 121.76 116.00 2pu1 s ALA 421 Ca 0.30 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.46 2pu1 s ALA 421 Cb 0.20 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 2pu1 s ALA 421 CO 0.45 -0.91 1.06 0.15 0.00 0.00 0.00 175.76 176.51 2pu1 s LYS 422 N -1.90 4.42 -0.03 0.00 -0.14 -1.26 -4.94 119.74 115.89 2pu1 s LYS 422 Ca 0.52 1.62 0.06 0.00 -1.36 0.00 0.00 55.97 56.80 2pu1 s LYS 422 Cb -0.44 -2.86 -0.01 0.00 -1.68 0.00 0.00 37.83 32.84 2pu1 s LYS 422 CO 0.59 0.06 -0.20 0.12 -0.76 0.00 0.00 175.35 175.16 2pu1 s PHE 423 N -1.43 1.82 0.00 3.18 5.36 -1.26 -0.92 117.98 124.73 2pu1 s PHE 423 Ca 0.51 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 2pu1 s PHE 423 Cb -0.26 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.23 2pu1 s PHE 423 CO 0.33 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.42 2pu1 n GLY 424 N 2.77 -3.01 3.35 13.12 0.00 0.36 -4.84 105.19 116.93 2pu1 n GLY 424 Ca -0.16 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 2pu1 n GLY 424 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pu1 s PHE 425 N -0.53 3.23 0.30 1.61 5.36 -1.23 -4.54 117.98 122.18 2pu1 s PHE 425 Ca 0.00 -1.05 0.06 0.00 -0.96 0.00 0.00 56.93 54.97 2pu1 s PHE 425 Cb 0.00 -2.36 0.78 0.00 -0.34 0.00 0.00 43.02 41.10 2pu1 s PHE 425 CO 0.00 -0.64 1.71 -1.35 -1.46 0.00 0.00 175.22 173.48 2pu1 h PRO 426 N 8.34 0.47 0.00 10.12 0.11 -1.93 0.42 132.00 149.54 2pu1 h PRO 426 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2pu1 h PRO 426 Cb 1.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2pu1 h PRO 426 CO 0.64 0.31 0.00 0.78 -0.21 0.00 0.00 178.00 179.52 2pu1 h GLY 427 N 0.48 0.00 0.00 -0.55 0.00 -2.01 -2.70 103.07 98.30 2pu1 h GLY 427 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2pu1 h GLY 427 CO -0.50 0.00 -0.80 0.79 0.00 0.00 0.00 176.54 176.03 2pu1 n TRP 428 N -2.37 0.00 1.57 5.60 8.01 0.10 -5.14 117.44 125.21 2pu1 n TRP 428 Ca -0.01 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.31 2pu1 n TRP 428 Cb 0.07 -0.06 0.75 0.00 -2.01 0.00 0.00 31.31 30.06 2pu1 n TRP 428 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11