#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn0 s LYS 2 N 0.00 4.32 -0.13 -2.82 2.20 -0.52 -4.97 119.74 117.83 1pn0 s LYS 2 Ca 0.00 0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 56.35 1pn0 s LYS 2 Cb 0.00 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1pn0 s LYS 2 CO 0.00 0.39 -0.04 0.71 -0.36 0.00 0.00 175.35 176.05 1pn0 s TYR 3 N -0.29 3.02 0.15 4.03 2.02 -1.26 -1.18 117.35 123.84 1pn0 s TYR 3 Ca 0.31 -0.18 -0.00 0.00 -0.37 0.00 0.00 57.07 56.83 1pn0 s TYR 3 Cb -0.19 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1pn0 s TYR 3 CO 0.18 0.10 0.05 -1.54 -1.57 0.00 0.00 175.55 172.77 1pn0 s SER 4 N -0.03 0.55 -0.08 2.29 1.04 -0.52 -4.97 113.70 111.98 1pn0 s SER 4 Ca 0.01 -1.22 -0.07 0.00 0.48 0.00 0.00 55.95 55.16 1pn0 s SER 4 Cb -0.13 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1pn0 s SER 4 CO 0.03 -0.70 0.21 -0.70 0.98 0.00 0.00 173.24 173.06 1pn0 s GLU 5 N -4.02 0.23 0.34 4.02 2.12 -1.26 -0.68 118.70 119.45 1pn0 s GLU 5 Ca 0.25 0.32 -0.13 0.00 0.36 0.00 0.00 54.97 55.77 1pn0 s GLU 5 Cb 0.07 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.57 1pn0 s GLU 5 CO 0.03 -0.05 0.66 -1.54 -0.54 0.00 0.00 175.26 173.83 1pn0 s SER 6 N 0.26 0.14 0.04 -1.70 1.04 -0.50 -4.96 113.70 108.04 1pn0 s SER 6 Ca -0.01 -1.09 0.05 0.00 0.48 0.00 0.00 55.95 55.38 1pn0 s SER 6 Cb -0.03 0.75 -0.02 0.00 0.10 0.00 0.00 66.02 66.82 1pn0 s SER 6 CO -0.01 -1.46 -0.16 -0.31 0.98 0.00 0.00 173.24 172.28 1pn0 s TYR 7 N -3.01 1.36 0.15 5.02 1.51 -1.26 -1.19 117.35 119.93 1pn0 s TYR 7 Ca 0.19 -0.37 -0.15 0.00 -1.01 0.00 0.00 57.07 55.73 1pn0 s TYR 7 Cb -0.04 -0.80 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1pn0 s TYR 7 CO 0.12 0.06 0.41 0.00 -1.11 0.00 0.00 175.55 175.02 1pn0 h ASP 9 N 2.37 0.29 -3.53 0.00 3.32 -1.20 -2.41 116.42 115.26 1pn0 h ASP 9 Ca -0.32 -0.83 -0.39 0.00 0.02 0.00 0.00 57.03 55.50 1pn0 h ASP 9 Cb 1.25 -0.10 -0.33 0.00 0.22 0.00 0.00 39.33 40.37 1pn0 h ASP 9 CO 0.45 1.50 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.01 1pn0 s VAL 10 N -2.42 0.50 -0.23 -1.35 1.01 -0.98 -1.10 120.40 115.82 1pn0 s VAL 10 Ca -0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1pn0 s VAL 10 Cb 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1pn0 s VAL 10 CO 0.74 0.21 -0.02 -0.22 0.00 0.00 0.00 175.10 175.81 1pn0 s LEU 11 N 0.76 3.07 -0.28 3.92 2.96 -0.45 -0.78 118.68 127.88 1pn0 s LEU 11 Ca -0.10 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.25 1pn0 s LEU 11 Cb -0.13 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1pn0 s LEU 11 CO 0.00 -0.04 0.35 -0.63 -1.32 0.00 0.00 176.35 174.71 1pn0 s ILE 12 N 1.49 5.19 -0.47 6.68 1.01 0.76 -0.99 121.20 134.87 1pn0 s ILE 12 Ca 0.05 0.47 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 1pn0 s ILE 12 Cb -0.15 -3.69 0.06 0.00 0.01 0.00 0.00 42.46 38.69 1pn0 s ILE 12 CO -0.02 0.14 0.44 -0.69 0.00 0.00 0.00 174.94 174.81 1pn0 s VAL 13 N 2.03 5.14 0.00 2.92 1.01 0.04 -1.19 120.40 130.35 1pn0 s VAL 13 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1pn0 s VAL 13 Cb -0.16 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1pn0 s VAL 13 CO 0.10 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.23 1pn0 n GLY 14 N 5.18 2.94 2.19 4.51 0.00 0.58 -0.21 105.19 120.36 1pn0 n GLY 14 Ca -0.10 -1.38 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 1pn0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn0 n ALA 15 N 1.28 4.85 -1.78 4.61 0.00 -1.23 -4.11 120.51 124.14 1pn0 n ALA 15 Ca 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.61 1pn0 n ALA 15 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1pn0 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn0 n GLY 16 N -0.64 0.48 0.24 0.00 0.00 -1.26 -4.62 105.19 99.38 1pn0 n GLY 16 Ca 0.40 -1.87 0.01 0.00 0.00 0.00 0.00 46.02 44.56 1pn0 n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pn0 h PRO 17 N 0.00 0.25 -0.10 1.61 0.11 -1.94 0.15 132.00 132.08 1pn0 h PRO 17 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1pn0 h PRO 17 Cb 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1pn0 h PRO 17 CO 0.00 0.17 0.05 0.00 -0.21 0.00 0.00 178.00 178.01 1pn0 h ALA 18 N 1.50 0.12 -0.35 -0.75 0.00 -1.89 -1.63 119.26 116.27 1pn0 h ALA 18 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1pn0 h ALA 18 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pn0 h ALA 18 CO -0.42 -0.35 0.19 0.78 0.00 0.00 0.00 179.25 179.44 1pn0 h GLY 19 N 0.07 0.53 1.04 0.00 0.00 -1.52 -1.11 103.07 102.09 1pn0 h GLY 19 Ca 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1pn0 h GLY 19 CO -0.01 0.24 0.29 1.41 0.00 0.00 0.00 176.54 178.47 1pn0 h LEU 20 N 0.44 1.06 -0.68 3.11 3.38 -0.69 -0.48 115.31 121.44 1pn0 h LEU 20 Ca 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1pn0 h LEU 20 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1pn0 h LEU 20 CO -0.02 0.95 0.30 -0.03 0.09 0.00 0.00 178.44 179.73 1pn0 h MET 21 N 1.10 1.00 -0.23 1.13 4.05 -1.08 0.12 114.93 121.02 1pn0 h MET 21 Ca 0.25 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1pn0 h MET 21 Cb 0.23 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1pn0 h MET 21 CO -0.02 0.81 0.04 0.00 0.23 0.00 0.00 176.91 177.98 1pn0 h ALA 22 N 1.14 0.23 -0.76 0.39 0.00 -0.82 0.20 119.26 119.64 1pn0 h ALA 22 Ca 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1pn0 h ALA 22 Cb 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1pn0 h ALA 22 CO -0.02 -0.38 0.37 0.00 0.00 0.00 0.00 179.25 179.22 1pn0 h ALA 23 N 1.17 0.98 -0.26 0.00 0.00 -0.76 -0.00 119.26 120.39 1pn0 h ALA 23 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pn0 h ALA 23 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pn0 h ALA 23 CO -0.14 0.54 0.13 -0.09 0.00 0.00 0.00 179.25 179.69 1pn0 h ARG 24 N 1.07 0.36 -0.36 0.00 9.65 -0.27 0.25 114.38 125.09 1pn0 h ARG 24 Ca 0.26 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1pn0 h ARG 24 Cb 0.11 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1pn0 h ARG 24 CO -0.03 0.34 0.13 0.28 2.80 0.00 0.00 179.97 183.48 1pn0 h VAL 25 N 0.29 1.20 0.00 0.20 2.07 -0.44 -2.95 116.25 116.62 1pn0 h VAL 25 Ca 0.09 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1pn0 h VAL 25 Cb 0.09 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1pn0 h VAL 25 CO -0.01 0.22 -0.22 -0.07 0.02 0.00 0.00 177.57 177.51 1pn0 h LEU 26 N 0.43 0.00 -1.25 2.57 3.38 -0.86 -2.98 115.31 116.60 1pn0 h LEU 26 Ca 0.12 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1pn0 h LEU 26 Cb 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1pn0 h LEU 26 CO -0.01 0.22 0.56 0.28 0.09 0.00 0.00 178.44 179.58 1pn0 h SER 27 N 0.00 0.74 -0.72 -0.43 0.02 -0.76 -0.76 113.55 111.64 1pn0 h SER 27 Ca -0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1pn0 h SER 27 Cb 0.57 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1pn0 h SER 27 CO 0.03 0.43 0.45 -0.08 -1.14 0.00 0.00 176.83 176.52 1pn0 h GLU 28 N 0.81 0.85 -0.04 3.45 4.57 -1.63 -0.60 114.58 121.99 1pn0 h GLU 28 Ca 0.40 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.40 1pn0 h GLU 28 Cb 0.46 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1pn0 h GLU 28 CO -0.17 0.56 -0.60 1.88 -1.18 0.00 0.00 179.01 179.50 1pn0 h TYR 29 N 0.88 0.19 -0.43 0.92 0.05 -1.33 -2.31 116.97 114.93 1pn0 h TYR 29 Ca 0.29 -0.07 -0.14 0.00 0.05 0.00 0.00 58.73 58.86 1pn0 h TYR 29 Cb 0.04 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1pn0 h TYR 29 CO -0.04 0.71 -0.29 0.28 -1.05 0.00 0.00 178.16 177.77 1pn0 h VAL 30 N 0.11 1.27 -0.95 -2.88 2.07 -0.96 0.60 116.25 115.50 1pn0 h VAL 30 Ca -0.01 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.09 1pn0 h VAL 30 Cb 1.09 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 1pn0 h VAL 30 CO 0.09 0.49 0.62 -0.09 0.02 0.00 0.00 177.57 178.70 1pn0 h ARG 31 N 0.79 1.17 -0.05 1.57 2.43 -0.87 -1.55 114.38 117.86 1pn0 h ARG 31 Ca 0.09 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 1pn0 h ARG 31 Cb 0.87 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1pn0 h ARG 31 CO 0.08 0.77 -0.64 1.96 -1.51 0.00 0.00 179.97 180.64 1pn0 h GLN 32 N 1.21 0.21 -2.61 0.20 4.20 -1.06 -3.38 115.11 113.88 1pn0 h GLN 32 Ca 0.38 -0.15 -0.60 0.00 0.06 0.00 0.00 58.65 58.34 1pn0 h GLN 32 Cb -0.01 0.03 -0.39 0.00 0.30 0.00 0.00 27.48 27.41 1pn0 h GLN 32 CO -0.12 0.77 -0.84 0.21 -0.67 0.00 0.00 178.83 178.18 1pn0 s LYS 33 N -3.68 1.37 0.55 1.46 2.20 0.17 -5.00 119.74 116.81 1pn0 s LYS 33 Ca -0.04 -2.44 0.33 0.00 -0.36 0.00 0.00 55.97 53.46 1pn0 s LYS 33 Cb 0.12 -2.04 1.79 0.00 -1.51 0.00 0.00 37.83 36.18 1pn0 s LYS 33 CO 0.80 -1.34 2.00 -1.35 -0.36 0.00 0.00 175.35 175.09 1pn0 h PRO 34 N 5.67 0.00 -0.00 4.03 0.11 -1.49 -1.12 132.00 139.20 1pn0 h PRO 34 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1pn0 h PRO 34 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1pn0 h PRO 34 CO 0.47 0.00 -0.03 -0.40 -0.21 0.00 0.00 178.00 177.84 1pn0 n ASP 35 N -2.74 0.12 -4.76 -2.05 5.75 -1.26 -4.77 116.55 106.84 1pn0 n ASP 35 Ca -0.02 -0.36 -0.41 0.00 -0.01 0.00 0.00 54.79 53.99 1pn0 n ASP 35 Cb 0.16 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.03 1pn0 n ASP 35 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pn0 s LEU 36 N -2.48 4.39 -0.30 -2.12 1.43 -0.43 -4.99 118.68 114.18 1pn0 s LEU 36 Ca 0.31 2.72 0.02 0.00 -1.03 0.00 0.00 54.13 56.14 1pn0 s LEU 36 Cb 0.20 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.86 1pn0 s LEU 36 CO 0.45 -0.67 -0.01 -0.75 0.23 0.00 0.00 176.35 175.61 1pn0 s LYS 37 N -1.03 2.06 -0.18 1.70 2.20 -1.26 -4.94 119.74 118.30 1pn0 s LYS 37 Ca 0.55 -1.51 -0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1pn0 s LYS 37 Cb -0.42 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1pn0 s LYS 37 CO 0.49 -0.73 -0.07 0.08 -0.36 0.00 0.00 175.35 174.76 1pn0 s VAL 38 N 1.09 3.41 0.19 4.02 1.01 -1.26 -0.69 120.40 128.17 1pn0 s VAL 38 Ca -0.01 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.57 1pn0 s VAL 38 Cb -0.20 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1pn0 s VAL 38 CO -0.05 0.47 -0.20 -0.13 0.00 0.00 0.00 175.10 175.20 1pn0 s ARG 39 N 0.85 1.68 -0.03 2.72 0.52 0.04 -4.81 118.95 119.92 1pn0 s ARG 39 Ca -0.02 -1.44 -0.01 0.00 -0.52 0.00 0.00 55.73 53.74 1pn0 s ARG 39 Cb -0.15 -1.94 0.03 0.00 0.52 0.00 0.00 34.95 33.41 1pn0 s ARG 39 CO 0.01 0.41 0.05 -1.50 0.02 0.00 0.00 175.30 174.30 1pn0 s ILE 40 N -1.67 -0.07 0.21 1.52 2.07 -1.26 -0.17 121.20 121.83 1pn0 s ILE 40 Ca 0.22 0.24 0.09 0.00 -1.41 0.00 0.00 60.65 59.79 1pn0 s ILE 40 Cb -0.08 -0.12 -0.05 0.00 0.13 0.00 0.00 42.46 42.35 1pn0 s ILE 40 CO 0.11 0.10 -0.16 0.27 -1.91 0.00 0.00 174.94 173.35 1pn0 s ILE 41 N 1.26 1.88 -0.08 2.00 -4.36 -0.33 -0.99 121.20 120.58 1pn0 s ILE 41 Ca -0.07 -2.20 -0.10 0.00 -0.26 0.00 0.00 60.65 58.02 1pn0 s ILE 41 Cb -0.13 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.55 1pn0 s ILE 41 CO -0.03 -0.52 0.27 -0.62 0.24 0.00 0.00 174.94 174.28 1pn0 s ASP 42 N -3.25 -0.24 0.09 4.36 -1.08 -0.36 -0.31 116.67 115.88 1pn0 s ASP 42 Ca 0.23 0.38 0.25 0.00 -0.52 0.00 0.00 52.55 52.90 1pn0 s ASP 42 Cb -0.02 0.48 0.58 0.00 -1.46 0.00 0.00 42.92 42.50 1pn0 s ASP 42 CO 0.08 -0.19 1.50 2.29 0.52 0.00 0.00 175.17 179.37 1pn0 n LYS 43 N 2.45 0.17 -3.85 4.34 2.85 -1.12 -1.54 118.16 121.46 1pn0 n LYS 43 Ca -0.16 0.07 -0.32 0.00 -1.05 0.00 0.00 58.31 56.86 1pn0 n LYS 43 Cb 0.57 -1.63 -0.04 0.00 -0.65 0.00 0.00 35.03 33.28 1pn0 n LYS 43 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1pn0 s ARG 44 N -3.09 3.49 0.87 -1.58 0.52 -1.26 -4.47 118.95 113.43 1pn0 s ARG 44 Ca 0.09 -0.30 -0.12 0.00 -0.52 0.00 0.00 55.73 54.88 1pn0 s ARG 44 Cb 0.15 -3.03 0.12 0.00 0.52 0.00 0.00 34.95 32.71 1pn0 s ARG 44 CO 0.67 0.61 1.16 -1.54 0.02 0.00 0.00 175.30 176.22 1pn0 s SER 45 N -2.24 3.92 0.00 0.23 1.04 -0.79 -4.76 113.70 111.11 1pn0 s SER 45 Ca 0.33 0.85 0.23 0.00 0.48 0.00 0.00 55.95 57.85 1pn0 s SER 45 Cb -0.13 -1.37 0.58 0.00 0.10 0.00 0.00 66.02 65.20 1pn0 s SER 45 CO 0.23 -2.28 1.50 0.35 0.98 0.00 0.00 173.24 174.02 1pn0 n THR 46 N -3.57 0.82 0.14 2.02 -2.24 -1.26 -4.48 114.28 105.71 1pn0 n THR 46 Ca 0.08 -0.91 -0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1pn0 n THR 46 Cb 0.60 0.68 0.17 0.00 -2.10 0.00 0.00 70.33 69.68 1pn0 n THR 46 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pn0 h LYS 47 N 4.42 0.00 -5.50 -0.78 1.57 -1.96 -3.41 116.57 110.91 1pn0 h LYS 47 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1pn0 h LYS 47 Cb 1.00 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.14 1pn0 h LYS 47 CO 0.00 0.60 -0.61 0.08 -0.57 0.00 0.00 179.45 178.95 1pn0 s VAL 48 N -3.48 4.37 -0.16 0.50 1.01 -1.26 -5.05 120.40 116.32 1pn0 s VAL 48 Ca -0.01 -0.20 -0.36 0.00 0.00 0.00 0.00 61.98 61.41 1pn0 s VAL 48 Cb 0.12 -2.91 -0.13 0.00 0.00 0.00 0.00 36.38 33.46 1pn0 s VAL 48 CO 0.75 0.52 1.85 0.00 0.00 0.00 0.00 175.10 178.22 1pn0 n TYR 49 N 3.07 2.23 -3.26 5.22 9.36 -1.26 -4.88 117.16 127.64 1pn0 n TYR 49 Ca -0.18 0.17 -0.36 0.00 3.32 0.00 0.00 57.90 60.86 1pn0 n TYR 49 Cb 0.53 -2.60 -0.04 0.00 -0.63 0.00 0.00 39.34 36.60 1pn0 n TYR 49 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1pn0 n ASN 50 N 6.32 5.08 -3.34 2.98 5.15 -1.26 -4.91 115.26 125.29 1pn0 n ASN 50 Ca 0.24 -3.38 -0.05 0.00 -0.60 0.00 0.00 54.58 50.79 1pn0 n ASN 50 Cb 0.24 -1.01 0.01 0.00 -0.53 0.00 0.00 39.78 38.49 1pn0 n ASN 50 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1pn0 s GLY 51 N -1.78 0.11 0.00 8.20 0.00 -1.26 -5.02 107.32 107.57 1pn0 s GLY 51 Ca 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1pn0 s GLY 51 CO 0.03 1.00 0.00 0.61 0.00 0.00 0.00 173.10 174.73 1pn0 n GLN 52 N -0.59 0.00 -2.77 2.90 10.64 -1.26 -4.88 117.38 121.42 1pn0 n GLN 52 Ca -0.05 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.91 1pn0 n GLN 52 Cb 0.60 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 30.01 1pn0 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pn0 s ALA 53 N 0.00 3.96 0.00 2.61 0.00 -1.26 -4.98 121.76 122.09 1pn0 s ALA 53 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1pn0 s ALA 53 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1pn0 s ALA 53 CO 0.00 -0.60 0.00 -0.40 0.00 0.00 0.00 175.76 174.76 1pn0 n ASP 54 N -2.21 0.00 -4.77 0.00 5.68 -1.26 -2.42 116.55 111.57 1pn0 n ASP 54 Ca 0.06 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.99 1pn0 n ASP 54 Cb 0.59 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.50 1pn0 n ASP 54 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1pn0 s GLY 55 N 0.00 2.21 -0.17 6.12 0.00 -1.26 0.23 107.32 114.46 1pn0 s GLY 55 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1pn0 s GLY 55 CO 0.00 0.22 -0.17 1.08 0.00 0.00 0.00 173.10 174.24 1pn0 s LEU 56 N 0.00 2.34 0.58 0.66 1.43 0.12 -4.60 118.68 119.21 1pn0 s LEU 56 Ca 0.16 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1pn0 s LEU 56 Cb -0.13 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1pn0 s LEU 56 CO 0.04 0.04 0.83 -1.10 0.23 0.00 0.00 176.35 176.39 1pn0 s GLN 57 N 1.09 2.51 0.16 1.70 -1.52 -1.26 -1.87 119.66 120.47 1pn0 s GLN 57 Ca -0.00 -0.62 -0.26 0.00 -1.95 0.00 0.00 55.36 52.53 1pn0 s GLN 57 Cb -0.14 -2.41 0.01 0.00 -0.22 0.00 0.00 33.01 30.25 1pn0 s GLN 57 CO -0.06 -0.80 1.58 0.00 -0.25 0.00 0.00 175.29 175.76 1pn0 h ARG 59 N -0.32 0.35 -0.88 0.00 9.65 -1.59 -0.63 114.38 120.97 1pn0 h ARG 59 Ca 0.14 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1pn0 h ARG 59 Cb 0.58 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1pn0 h ARG 59 CO -0.56 0.61 0.45 1.15 2.80 0.00 0.00 179.97 184.42 1pn0 h THR 60 N 0.31 1.26 -0.41 0.20 2.02 -1.58 -0.73 112.91 113.98 1pn0 h THR 60 Ca 0.04 -0.69 -0.13 0.00 0.77 0.00 0.00 66.41 66.40 1pn0 h THR 60 Cb 0.66 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1pn0 h THR 60 CO 0.05 0.30 -0.27 -0.07 0.37 0.00 0.00 175.52 175.90 1pn0 h LEU 61 N 1.24 0.91 -0.84 2.58 3.38 -0.35 0.30 115.31 122.53 1pn0 h LEU 61 Ca 0.30 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1pn0 h LEU 61 Cb 0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1pn0 h LEU 61 CO -0.04 1.12 0.50 -0.33 0.09 0.00 0.00 178.44 179.78 1pn0 h GLU 62 N 0.75 1.15 -0.28 1.13 5.08 -0.78 0.12 114.58 121.75 1pn0 h GLU 62 Ca 0.09 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1pn0 h GLU 62 Cb 0.83 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1pn0 h GLU 62 CO 0.07 0.81 -0.39 0.77 -1.00 0.00 0.00 179.01 179.28 1pn0 h SER 63 N 1.16 0.83 -0.36 1.42 0.02 -0.75 -2.59 113.55 113.27 1pn0 h SER 63 Ca 0.30 -0.50 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1pn0 h SER 63 Cb -0.03 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1pn0 h SER 63 CO -0.06 1.17 0.09 -0.07 -1.14 0.00 0.00 176.83 176.82 1pn0 h LEU 64 N 0.51 0.61 -0.44 5.07 3.38 -0.01 -1.95 115.31 122.47 1pn0 h LEU 64 Ca 0.03 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1pn0 h LEU 64 Cb 0.98 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1pn0 h LEU 64 CO 0.09 0.62 0.27 0.50 0.09 0.00 0.00 178.44 180.01 1pn0 h LYS 65 N 0.64 0.53 0.00 1.13 1.63 -0.61 0.93 116.57 120.82 1pn0 h LYS 65 Ca 0.14 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1pn0 h LYS 65 Cb 0.26 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1pn0 h LYS 65 CO -0.00 0.35 0.00 0.09 -3.45 0.00 0.00 179.45 176.44 1pn0 n ASN 66 N -4.82 0.00 -0.72 4.20 5.03 -0.78 -1.19 115.26 116.99 1pn0 n ASN 66 Ca 0.02 0.06 0.08 0.00 0.87 0.00 0.00 54.58 55.60 1pn0 n ASN 66 Cb 0.05 -0.27 0.11 0.00 -1.02 0.00 0.00 39.78 38.65 1pn0 n ASN 66 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1pn0 n LEU 67 N -1.27 2.61 -0.55 3.41 4.77 -0.40 -0.42 117.00 125.15 1pn0 n LEU 67 Ca 0.07 -1.28 -0.06 0.00 -0.03 0.00 0.00 56.01 54.71 1pn0 n LEU 67 Cb 0.11 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1pn0 n LEU 67 CO 0.10 0.53 -0.06 0.61 -1.33 0.00 0.00 177.39 177.24 1pn0 n GLY 68 N 0.91 0.39 0.00 -0.72 0.00 -0.33 -4.94 105.19 100.51 1pn0 n GLY 68 Ca 0.11 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.44 1pn0 n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pn0 n LEU 69 N -0.73 0.06 -0.03 0.99 4.77 0.19 -4.77 117.00 117.47 1pn0 n LEU 69 Ca -0.06 -0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.67 1pn0 n LEU 69 Cb 0.41 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1pn0 n LEU 69 CO 0.08 0.02 0.80 0.00 -1.33 0.00 0.00 177.39 176.95 1pn0 h ALA 70 N 0.53 0.16 -0.93 -1.18 0.00 -1.80 -3.00 119.26 113.04 1pn0 h ALA 70 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pn0 h ALA 70 Cb 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1pn0 h ALA 70 CO 0.00 -0.21 0.58 -0.44 0.00 0.00 0.00 179.25 179.18 1pn0 h ASP 71 N 0.01 1.11 -0.50 0.00 3.32 -1.90 0.15 116.42 118.59 1pn0 h ASP 71 Ca 0.04 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1pn0 h ASP 71 Cb 0.24 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1pn0 h ASP 71 CO -0.00 0.83 0.13 0.11 -1.72 0.00 0.00 179.24 178.60 1pn0 h LYS 72 N 1.28 0.80 -0.40 3.56 1.57 -1.88 -1.78 116.57 119.72 1pn0 h LYS 72 Ca 0.34 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1pn0 h LYS 72 Cb -0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1pn0 h LYS 72 CO -0.07 0.76 0.13 0.82 -0.57 0.00 0.00 179.45 180.53 1pn0 h ILE 73 N 0.69 1.21 0.00 1.86 2.04 -1.24 -2.81 117.51 119.27 1pn0 h ILE 73 Ca 0.16 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1pn0 h ILE 73 Cb 0.31 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1pn0 h ILE 73 CO -0.00 0.25 -0.04 -0.07 0.00 0.00 0.00 178.15 178.29 1pn0 h LEU 74 N 0.51 0.00 -1.08 1.44 3.38 -0.53 -1.05 115.31 117.97 1pn0 h LEU 74 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pn0 h LEU 74 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1pn0 h LEU 74 CO -0.00 0.04 0.00 0.77 0.09 0.00 0.00 178.44 179.33 1pn0 h SER 75 N 0.00 0.00 0.00 -0.43 4.64 -1.04 -3.28 113.55 113.43 1pn0 h SER 75 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1pn0 h SER 75 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1pn0 h SER 75 CO 0.01 0.00 -1.19 -0.62 -0.87 0.00 0.00 176.83 174.16 1pn0 n GLU 76 N -2.57 3.20 -1.60 4.77 1.02 -0.66 -5.09 120.64 119.71 1pn0 n GLU 76 Ca 0.01 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.83 1pn0 n GLU 76 Cb 0.24 -1.07 0.06 0.00 -0.02 0.00 0.00 31.44 30.65 1pn0 n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pn0 s ALA 77 N -2.07 2.44 -0.17 0.62 0.00 -0.49 -4.75 121.76 117.35 1pn0 s ALA 77 Ca -0.02 0.40 -0.06 0.00 0.00 0.00 0.00 51.96 52.28 1pn0 s ALA 77 Cb 0.01 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1pn0 s ALA 77 CO 0.11 -1.39 0.02 1.21 0.00 0.00 0.00 175.76 175.70 1pn0 s ASN 78 N -2.98 5.27 -0.46 0.00 2.47 -0.06 -4.86 114.94 114.32 1pn0 s ASN 78 Ca 0.64 -0.01 -0.21 0.00 0.42 0.00 0.00 52.86 53.70 1pn0 s ASN 78 Cb -0.18 -1.88 0.03 0.00 -1.45 0.00 0.00 41.25 37.77 1pn0 s ASN 78 CO 0.47 0.18 0.70 -0.62 -3.72 0.00 0.00 177.10 174.11 1pn0 s ASP 79 N 0.33 6.33 0.56 -4.21 -1.08 -1.26 -1.06 116.67 116.28 1pn0 s ASP 79 Ca 0.00 -0.36 0.30 0.00 -0.52 0.00 0.00 52.55 51.97 1pn0 s ASP 79 Cb -0.13 -2.34 1.64 0.00 -1.46 0.00 0.00 42.92 40.62 1pn0 s ASP 79 CO 0.01 -0.87 2.15 0.24 0.52 0.00 0.00 175.17 177.23 1pn0 h MET 80 N 8.96 0.00 0.00 4.34 2.86 -1.85 -3.46 114.93 125.78 1pn0 h MET 80 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1pn0 h MET 80 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1pn0 h MET 80 CO 0.93 0.07 0.00 0.43 1.06 0.00 0.00 176.91 179.40 1pn0 n SER 81 N -3.65 0.00 -4.26 1.22 7.64 -1.26 -3.98 113.62 109.33 1pn0 n SER 81 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.62 1pn0 n SER 81 Cb 0.18 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 1pn0 n SER 81 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1pn0 s THR 82 N 0.00 1.64 -0.28 0.44 2.01 -1.26 -1.47 115.64 116.71 1pn0 s THR 82 Ca 0.00 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.59 1pn0 s THR 82 Cb 0.00 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 71.07 1pn0 s THR 82 CO 0.00 0.04 0.02 -0.63 -0.69 0.00 0.00 174.62 173.37 1pn0 s ILE 83 N -1.00 3.40 -0.07 1.82 1.01 0.56 -1.81 121.20 125.12 1pn0 s ILE 83 Ca 0.06 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 1pn0 s ILE 83 Cb -0.09 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 1pn0 s ILE 83 CO 0.03 0.06 0.43 0.00 0.00 0.00 0.00 174.94 175.45 1pn0 s ALA 84 N 1.39 3.58 -0.24 9.38 0.00 0.09 -1.23 121.76 134.74 1pn0 s ALA 84 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 1pn0 s ALA 84 Cb -0.18 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 1pn0 s ALA 84 CO -0.00 0.22 0.05 -0.51 0.00 0.00 0.00 175.76 175.51 1pn0 s LEU 85 N -0.13 3.36 -0.04 0.00 1.43 -0.05 -0.81 118.68 122.44 1pn0 s LEU 85 Ca 0.24 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 1pn0 s LEU 85 Cb -0.16 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1pn0 s LEU 85 CO 0.11 -0.01 -0.20 -0.31 0.23 0.00 0.00 176.35 176.17 1pn0 s TYR 86 N 1.48 2.54 0.19 0.29 1.51 0.33 -0.71 117.35 122.97 1pn0 s TYR 86 Ca 0.06 -0.30 -0.20 0.00 -1.01 0.00 0.00 57.07 55.61 1pn0 s TYR 86 Cb -0.15 -1.58 0.05 0.00 -0.11 0.00 0.00 41.96 40.17 1pn0 s TYR 86 CO 0.02 0.07 0.58 0.54 -1.11 0.00 0.00 175.55 175.66 1pn0 s ASN 87 N -0.65 -0.39 0.42 2.29 2.20 -0.94 -1.51 114.94 116.36 1pn0 s ASN 87 Ca 0.10 -0.28 -0.24 0.00 -0.94 0.00 0.00 52.86 51.50 1pn0 s ASN 87 Cb -0.11 0.61 -0.08 0.00 -2.00 0.00 0.00 41.25 39.67 1pn0 s ASN 87 CO 0.00 -1.05 1.14 -2.84 -2.94 0.00 0.00 177.10 171.41 1pn0 s PRO 88 N -3.82 3.98 0.00 3.55 0.02 -1.24 -2.12 135.00 135.36 1pn0 s PRO 88 Ca 0.05 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1pn0 s PRO 88 Cb -0.02 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.95 1pn0 s PRO 88 CO -0.06 -0.36 0.00 -0.40 -0.33 0.00 0.00 177.00 175.85 1pn0 n ASP 89 N -0.15 0.00 0.00 2.53 5.68 0.16 -4.83 116.55 119.94 1pn0 n ASP 89 Ca 0.05 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.16 1pn0 n ASP 89 Cb 0.48 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.37 1pn0 n ASP 89 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1pn0 h GLU 90 N 0.00 0.70 0.00 0.11 5.08 -1.96 -2.89 114.58 115.61 1pn0 h GLU 90 Ca 0.00 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1pn0 h GLU 90 Cb 0.00 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1pn0 h GLU 90 CO 0.00 1.25 0.00 0.09 -1.00 0.00 0.00 179.01 179.35 1pn0 n ASN 91 N -3.97 0.00 -0.47 1.42 4.13 -1.26 -4.88 115.26 110.23 1pn0 n ASN 91 Ca -0.09 -0.72 -0.06 0.00 1.68 0.00 0.00 54.58 55.39 1pn0 n ASN 91 Cb 0.78 -0.04 -0.02 0.00 -1.54 0.00 0.00 39.78 38.95 1pn0 n ASN 91 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pn0 n GLY 92 N 0.67 0.77 3.80 7.41 0.00 -1.09 -5.02 105.19 111.72 1pn0 n GLY 92 Ca 0.19 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1pn0 n GLY 92 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pn0 s HIS 93 N -2.23 3.62 0.31 1.61 3.76 -1.26 -4.59 115.29 116.51 1pn0 s HIS 93 Ca 0.00 0.83 -0.29 0.00 -0.15 0.00 0.00 55.06 55.45 1pn0 s HIS 93 Cb 0.00 -2.31 -0.10 0.00 1.11 0.00 0.00 32.58 31.28 1pn0 s HIS 93 CO 0.00 0.48 1.21 0.96 -0.85 0.00 0.00 174.74 176.54 1pn0 s ILE 94 N -0.43 3.06 0.04 0.60 -4.36 -1.26 -0.66 121.20 118.19 1pn0 s ILE 94 Ca 0.21 1.06 -0.08 0.00 -0.26 0.00 0.00 60.65 61.58 1pn0 s ILE 94 Cb -0.15 -3.67 -0.00 0.00 1.25 0.00 0.00 42.46 39.89 1pn0 s ILE 94 CO 0.10 0.25 0.17 0.00 0.24 0.00 0.00 174.94 175.69 1pn0 s ARG 95 N -1.67 0.67 -0.19 0.37 1.70 -0.90 -4.91 118.95 114.01 1pn0 s ARG 95 Ca 0.47 -0.69 -0.29 0.00 -0.47 0.00 0.00 55.73 54.76 1pn0 s ARG 95 Cb -0.36 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.28 1pn0 s ARG 95 CO 0.47 -0.19 1.25 0.50 -1.08 0.00 0.00 175.30 176.26 1pn0 s ARG 96 N -2.66 4.18 -0.03 3.89 3.52 -1.26 -2.21 118.95 124.39 1pn0 s ARG 96 Ca -0.04 1.58 0.21 0.00 -0.13 0.00 0.00 55.73 57.34 1pn0 s ARG 96 Cb -0.01 -3.77 -0.31 0.00 -1.56 0.00 0.00 34.95 29.30 1pn0 s ARG 96 CO -0.04 -0.77 0.49 0.25 -0.81 0.00 0.00 175.30 174.42 1pn0 n THR 97 N 5.50 0.00 -3.64 4.11 -2.24 0.11 -4.99 114.28 113.13 1pn0 n THR 97 Ca 0.14 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1pn0 n THR 97 Cb 0.45 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1pn0 n THR 97 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pn0 s ASP 98 N -4.20 -0.34 -0.02 3.42 -1.08 -1.20 -5.03 116.67 108.22 1pn0 s ASP 98 Ca -0.06 -0.27 0.02 0.00 -0.52 0.00 0.00 52.55 51.72 1pn0 s ASP 98 Cb 0.13 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 1pn0 s ASP 98 CO 0.85 -0.98 -0.06 -0.13 0.52 0.00 0.00 175.17 175.37 1pn0 s ARG 99 N -3.54 0.62 0.13 4.34 0.52 -1.26 -0.87 118.95 118.87 1pn0 s ARG 99 Ca 0.07 -0.20 0.06 0.00 -0.52 0.00 0.00 55.73 55.14 1pn0 s ARG 99 Cb -0.02 -0.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.80 1pn0 s ARG 99 CO -0.03 0.08 -0.14 0.96 0.02 0.00 0.00 175.30 176.20 1pn0 s ILE 100 N 0.14 1.33 0.35 1.52 -4.36 -0.36 -4.98 121.20 114.84 1pn0 s ILE 100 Ca -0.01 -1.76 -0.27 0.00 -0.26 0.00 0.00 60.65 58.34 1pn0 s ILE 100 Cb -0.06 -1.57 -0.09 0.00 1.25 0.00 0.00 42.46 41.99 1pn0 s ILE 100 CO -0.00 -0.45 1.21 -2.16 0.24 0.00 0.00 174.94 173.79 1pn0 s PRO 101 N -2.78 4.28 0.30 0.37 0.04 -1.26 -0.32 135.00 135.63 1pn0 s PRO 101 Ca 0.10 1.99 0.14 0.00 0.04 0.00 0.00 61.00 63.26 1pn0 s PRO 101 Cb -0.04 -2.93 0.40 0.00 0.04 0.00 0.00 34.50 31.97 1pn0 s PRO 101 CO 0.03 -0.17 1.61 0.22 0.04 0.00 0.00 177.00 178.73 1pn0 h ASP 102 N 3.15 0.00 -3.64 6.66 3.58 -1.54 -3.41 116.42 121.23 1pn0 h ASP 102 Ca -0.48 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.34 1pn0 h ASP 102 Cb 1.23 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.95 1pn0 h ASP 102 CO 0.64 0.55 -0.86 -0.89 -2.88 0.00 0.00 179.24 175.81 1pn0 s THR 103 N -3.47 1.72 0.13 2.25 2.01 -1.26 -4.87 115.64 112.15 1pn0 s THR 103 Ca -0.00 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 60.84 1pn0 s THR 103 Cb 0.11 -1.49 -0.09 0.00 0.01 0.00 0.00 72.50 71.04 1pn0 s THR 103 CO 0.74 0.49 1.51 -0.76 -0.69 0.00 0.00 174.62 175.90 1pn0 s LEU 104 N 0.22 4.37 0.25 4.42 1.43 -1.26 -4.92 118.68 123.19 1pn0 s LEU 104 Ca -0.11 2.48 -0.31 0.00 -1.03 0.00 0.00 54.13 55.16 1pn0 s LEU 104 Cb -0.15 -3.59 -0.14 0.00 0.03 0.00 0.00 46.19 42.35 1pn0 s LEU 104 CO 0.05 -0.77 1.31 -2.65 0.23 0.00 0.00 176.35 174.53 1pn0 n PRO 105 N 4.21 1.85 -0.95 1.29 -0.02 -1.26 -2.28 135.00 137.83 1pn0 n PRO 105 Ca 0.13 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1pn0 n PRO 105 Cb 0.40 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1pn0 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pn0 n GLY 106 N 1.82 1.05 0.14 -1.23 0.00 -1.26 -4.89 105.19 100.81 1pn0 n GLY 106 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 1pn0 n GLY 106 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pn0 h ILE 107 N 0.00 0.98 -2.77 -0.61 2.10 -1.84 -3.46 117.51 111.90 1pn0 h ILE 107 Ca 0.00 -2.25 0.02 0.00 1.08 0.00 0.00 64.86 63.71 1pn0 h ILE 107 Cb 0.00 2.39 -0.13 0.00 -1.09 0.00 0.00 36.82 37.99 1pn0 h ILE 107 CO 0.00 0.53 0.30 -0.55 -1.08 0.00 0.00 178.15 177.35 1pn0 s SER 108 N -6.49 -0.49 0.31 2.19 0.15 -1.26 -5.01 113.70 103.09 1pn0 s SER 108 Ca 0.03 -0.02 0.25 0.00 0.70 0.00 0.00 55.95 56.91 1pn0 s SER 108 Cb 0.08 0.54 0.68 0.00 -1.71 0.00 0.00 66.02 65.61 1pn0 s SER 108 CO 0.74 -0.87 1.72 0.08 1.20 0.00 0.00 173.24 176.11 1pn0 h ARG 109 N 2.00 0.00 -6.01 5.44 0.11 -1.92 -3.44 114.38 110.57 1pn0 h ARG 109 Ca -0.30 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.17 1pn0 h ARG 109 Cb 1.29 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.32 1pn0 h ARG 109 CO 0.35 0.00 -0.37 0.71 0.10 0.00 0.00 179.97 180.77 1pn0 s TYR 110 N -3.17 3.54 0.16 4.08 2.02 -1.26 -5.11 117.35 117.61 1pn0 s TYR 110 Ca 0.09 0.54 0.06 0.00 -0.37 0.00 0.00 57.07 57.38 1pn0 s TYR 110 Cb 0.09 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1pn0 s TYR 110 CO 0.61 0.54 0.10 -1.01 -1.57 0.00 0.00 175.55 174.22 1pn0 s HIS 111 N -1.45 3.07 0.28 2.71 3.76 -1.26 -4.74 115.29 117.65 1pn0 s HIS 111 Ca 0.33 -0.05 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 1pn0 s HIS 111 Cb -0.13 -1.48 -0.13 0.00 1.11 0.00 0.00 32.58 31.95 1pn0 s HIS 111 CO 0.21 0.52 1.26 0.94 -0.85 0.00 0.00 174.74 176.82 1pn0 n GLN 112 N -0.27 1.87 -4.22 1.40 7.27 -1.26 -4.71 117.38 117.46 1pn0 n GLN 112 Ca -0.09 0.66 -0.13 0.00 0.07 0.00 0.00 57.00 57.52 1pn0 n GLN 112 Cb 0.55 -2.22 -0.10 0.00 2.41 0.00 0.00 30.24 30.88 1pn0 n GLN 112 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1pn0 s VAL 113 N -0.65 0.44 0.03 1.69 -7.23 -0.78 -4.34 120.40 109.55 1pn0 s VAL 113 Ca 0.62 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1pn0 s VAL 113 Cb -0.64 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 1pn0 s VAL 113 CO 0.57 -0.39 -0.17 0.68 -0.31 0.00 0.00 175.10 175.48 1pn0 s VAL 114 N -3.82 1.37 -0.24 1.32 -7.23 -0.22 -0.70 120.40 110.88 1pn0 s VAL 114 Ca 0.27 -1.02 -0.26 0.00 -1.81 0.00 0.00 61.98 59.15 1pn0 s VAL 114 Cb 0.07 -1.20 0.09 0.00 0.56 0.00 0.00 36.38 35.90 1pn0 s VAL 114 CO 0.05 0.15 0.84 -0.22 -0.31 0.00 0.00 175.10 175.61 1pn0 s LEU 115 N -1.01 -0.61 -0.10 1.32 2.96 0.14 -0.88 118.68 120.50 1pn0 s LEU 115 Ca 0.05 1.09 -0.41 0.00 -0.22 0.00 0.00 54.13 54.64 1pn0 s LEU 115 Cb -0.08 2.24 -0.19 0.00 0.50 0.00 0.00 46.19 48.66 1pn0 s LEU 115 CO 0.01 -0.27 1.30 1.57 -1.32 0.00 0.00 176.35 177.64 1pn0 n HIS 116 N 2.16 1.20 -0.14 5.38 -0.00 -1.26 -4.29 115.22 118.27 1pn0 n HIS 116 Ca -0.14 0.92 0.13 0.00 -0.00 0.00 0.00 57.72 58.63 1pn0 n HIS 116 Cb 0.56 -2.21 0.47 0.00 -0.00 0.00 0.00 29.99 28.81 1pn0 n HIS 116 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1pn0 h GLN 117 N 4.18 0.46 -0.46 1.57 4.15 -1.81 -0.89 115.11 122.30 1pn0 h GLN 117 Ca -0.48 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1pn0 h GLN 117 Cb 1.38 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.95 1pn0 h GLN 117 CO 0.77 0.31 0.29 0.78 -1.93 0.00 0.00 178.83 179.05 1pn0 h GLY 118 N 0.48 0.66 1.29 2.39 0.00 -1.88 0.56 103.07 106.56 1pn0 h GLY 118 Ca 0.33 -0.26 -0.24 0.00 0.00 0.00 0.00 47.33 47.17 1pn0 h GLY 118 CO -0.11 0.25 -0.89 3.21 0.00 0.00 0.00 176.54 179.00 1pn0 h ARG 119 N 0.63 0.67 0.08 4.80 2.47 -1.52 -1.43 114.38 120.08 1pn0 h ARG 119 Ca 0.17 -0.63 -0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1pn0 h ARG 119 Cb -0.04 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1pn0 h ARG 119 CO -0.03 1.23 -0.04 0.82 0.56 0.00 0.00 179.97 182.51 1pn0 h ILE 120 N 0.42 0.91 -0.83 2.04 2.04 -1.03 -2.18 117.51 118.87 1pn0 h ILE 120 Ca -0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.85 1pn0 h ILE 120 Cb 1.53 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.45 1pn0 h ILE 120 CO 0.17 0.00 0.50 -0.33 0.00 0.00 0.00 178.15 178.49 1pn0 h GLU 121 N -0.11 0.85 -0.65 2.37 5.08 -0.90 -2.11 114.58 119.11 1pn0 h GLU 121 Ca -0.01 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1pn0 h GLU 121 Cb 0.09 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 1pn0 h GLU 121 CO 0.01 0.56 0.38 -0.09 -1.00 0.00 0.00 179.01 178.88 1pn0 h ARG 122 N 0.88 0.71 -0.60 2.33 9.65 -0.95 0.28 114.38 126.66 1pn0 h ARG 122 Ca 0.38 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1pn0 h ARG 122 Cb 0.26 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 1pn0 h ARG 122 CO -0.21 0.47 0.37 0.00 2.80 0.00 0.00 179.97 183.40 1pn0 h ARG 123 N 0.73 0.82 -0.57 0.20 2.47 -0.79 -0.03 114.38 117.21 1pn0 h ARG 123 Ca 0.28 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.82 1pn0 h ARG 123 Cb 0.10 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 1pn0 h ARG 123 CO -0.14 0.58 -0.07 0.82 0.56 0.00 0.00 179.97 181.72 1pn0 h ILE 124 N 0.82 1.27 -0.71 2.04 2.04 -0.71 -2.02 117.51 120.24 1pn0 h ILE 124 Ca 0.22 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1pn0 h ILE 124 Cb -0.03 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1pn0 h ILE 124 CO -0.04 0.44 0.37 -0.07 0.00 0.00 0.00 178.15 178.84 1pn0 h LEU 125 N 0.93 0.91 -1.02 1.44 3.38 -0.21 0.12 115.31 120.85 1pn0 h LEU 125 Ca 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1pn0 h LEU 125 Cb 0.64 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1pn0 h LEU 125 CO 0.04 0.76 0.46 0.44 0.09 0.00 0.00 178.44 180.24 1pn0 h ASP 126 N 0.98 1.02 -0.38 -0.43 3.32 -0.73 -0.96 116.42 119.25 1pn0 h ASP 126 Ca 0.25 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 1pn0 h ASP 126 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1pn0 h ASP 126 CO -0.04 0.81 -0.33 -1.28 -1.72 0.00 0.00 179.24 176.68 1pn0 h SER 127 N 1.15 0.94 -0.67 6.45 0.87 -0.57 -1.64 113.55 120.09 1pn0 h SER 127 Ca 0.29 -0.46 0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1pn0 h SER 127 Cb 0.02 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.67 1pn0 h SER 127 CO -0.05 1.20 0.42 0.40 -0.53 0.00 0.00 176.83 178.27 1pn0 h ILE 128 N 0.70 1.09 -0.64 2.23 2.04 -0.37 0.14 117.51 122.70 1pn0 h ILE 128 Ca 0.07 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1pn0 h ILE 128 Cb 0.92 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1pn0 h ILE 128 CO 0.08 0.15 0.33 0.00 0.00 0.00 0.00 178.15 178.72 1pn0 h ALA 129 N 1.28 0.82 0.18 1.87 0.00 -0.99 0.12 119.26 122.54 1pn0 h ALA 129 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pn0 h ALA 129 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1pn0 h ALA 129 CO -0.10 0.35 -0.09 1.49 0.00 0.00 0.00 179.25 180.90 1pn0 h GLU 130 N 0.87 -0.24 -0.59 0.00 4.81 -0.71 0.27 114.58 118.99 1pn0 h GLU 130 Ca 0.22 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1pn0 h GLU 130 Cb 0.07 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1pn0 h GLU 130 CO -0.03 0.08 -0.04 0.82 -0.73 0.00 0.00 179.01 179.11 1pn0 h ILE 131 N -0.57 1.27 -0.01 2.32 1.08 -0.65 -2.68 117.51 118.27 1pn0 h ILE 131 Ca -0.03 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.25 1pn0 h ILE 131 Cb 0.43 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1pn0 h ILE 131 CO 0.04 0.43 -0.06 -1.54 -0.69 0.00 0.00 178.15 176.33 1pn0 n SER 132 N -4.17 0.67 -3.58 1.72 3.41 0.02 -4.59 113.62 107.10 1pn0 n SER 132 Ca 0.02 -0.95 -0.25 0.00 -0.26 0.00 0.00 58.87 57.43 1pn0 n SER 132 Cb 0.37 -0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1pn0 n SER 132 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pn0 n ASP 133 N -0.63 -6.08 0.00 4.04 2.03 -0.68 -2.35 116.55 112.87 1pn0 n ASP 133 Ca 0.18 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1pn0 n ASP 133 Cb 0.26 -4.81 0.00 0.00 -0.72 0.00 0.00 41.12 35.85 1pn0 n ASP 133 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1pn0 n THR 134 N -4.89 0.00 0.09 5.18 -2.24 0.86 -4.90 114.28 108.37 1pn0 n THR 134 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1pn0 n THR 134 Cb 0.56 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 1pn0 n THR 134 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1pn0 h ARG 135 N 1.59 0.00 -5.19 -0.78 3.08 -1.74 -3.41 114.38 107.93 1pn0 h ARG 135 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1pn0 h ARG 135 Cb 0.11 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.02 1pn0 h ARG 135 CO 0.00 0.84 -0.19 0.42 -1.07 0.00 0.00 179.97 179.98 1pn0 s ILE 136 N -2.80 5.15 0.00 2.04 1.01 -1.26 -5.03 121.20 120.31 1pn0 s ILE 136 Ca 0.02 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.31 1pn0 s ILE 136 Cb 0.09 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 1pn0 s ILE 136 CO 0.80 0.13 -0.08 -0.54 0.00 0.00 0.00 174.94 175.24 1pn0 s LYS 137 N 2.13 0.62 0.10 2.79 1.02 -1.26 -4.70 119.74 120.43 1pn0 s LYS 137 Ca 0.16 -0.35 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 1pn0 s LYS 137 Cb -0.16 -0.58 -0.08 0.00 -0.52 0.00 0.00 37.83 36.50 1pn0 s LYS 137 CO 0.10 0.15 1.40 0.08 -0.92 0.00 0.00 175.35 176.17 1pn0 s VAL 138 N -0.35 3.35 -0.23 3.17 1.01 -1.26 -4.40 120.40 121.68 1pn0 s VAL 138 Ca 0.01 0.94 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 1pn0 s VAL 138 Cb -0.04 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1pn0 s VAL 138 CO -0.00 0.06 0.15 -1.61 0.00 0.00 0.00 175.10 173.69 1pn0 s GLU 139 N 1.35 4.04 0.02 2.72 2.02 -0.16 -4.99 118.70 123.71 1pn0 s GLU 139 Ca 0.65 -0.29 -0.21 0.00 0.02 0.00 0.00 54.97 55.14 1pn0 s GLU 139 Cb -0.36 -3.50 0.05 0.00 0.10 0.00 0.00 34.13 30.42 1pn0 s GLU 139 CO 0.30 0.08 0.49 -0.98 0.02 0.00 0.00 175.26 175.16 1pn0 s ARG 140 N 1.00 0.96 -0.21 1.61 1.70 -1.26 -1.22 118.95 121.53 1pn0 s ARG 140 Ca 0.07 -0.19 -0.17 0.00 -0.47 0.00 0.00 55.73 54.97 1pn0 s ARG 140 Cb -0.13 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 1pn0 s ARG 140 CO 0.04 -0.33 0.46 -1.25 -1.08 0.00 0.00 175.30 173.14 1pn0 s PRO 141 N -2.11 4.16 0.08 3.89 0.04 -1.26 -5.05 135.00 134.75 1pn0 s PRO 141 Ca -0.07 0.30 0.05 0.00 0.04 0.00 0.00 61.00 61.31 1pn0 s PRO 141 Cb -0.01 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 1pn0 s PRO 141 CO 0.01 -0.13 -0.13 -0.51 0.04 0.00 0.00 177.00 176.29 1pn0 s LEU 142 N 1.58 2.31 -0.14 -3.56 1.02 -0.59 -1.05 118.68 118.26 1pn0 s LEU 142 Ca 0.21 -0.67 -0.10 0.00 0.02 0.00 0.00 54.13 53.60 1pn0 s LEU 142 Cb -0.15 -0.43 0.04 0.00 0.02 0.00 0.00 46.19 45.67 1pn0 s LEU 142 CO 0.09 -0.14 0.34 -0.51 0.02 0.00 0.00 176.35 176.16 1pn0 s ILE 143 N -1.61 -0.01 0.38 -0.59 2.07 -0.79 -2.78 121.20 117.87 1pn0 s ILE 143 Ca -0.00 0.05 -0.27 0.00 -1.41 0.00 0.00 60.65 59.02 1pn0 s ILE 143 Cb -0.08 -0.50 -0.09 0.00 0.13 0.00 0.00 42.46 41.92 1pn0 s ILE 143 CO 0.02 0.02 1.26 -2.84 -1.91 0.00 0.00 174.94 171.49 1pn0 s PRO 144 N 0.72 4.11 -0.00 3.50 0.02 -1.26 -0.43 135.00 141.66 1pn0 s PRO 144 Ca -0.04 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.09 1pn0 s PRO 144 Cb -0.06 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.59 1pn0 s PRO 144 CO -0.05 -0.35 0.08 0.39 -0.33 0.00 0.00 177.00 176.74 1pn0 n GLU 145 N 0.32 1.32 -3.70 5.54 1.02 0.12 -4.86 120.64 120.41 1pn0 n GLU 145 Ca 0.03 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1pn0 n GLU 145 Cb 0.44 -0.98 -0.09 0.00 -0.02 0.00 0.00 31.44 30.79 1pn0 n GLU 145 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1pn0 s LYS 146 N -2.02 0.67 -0.04 3.49 2.20 -1.19 -4.99 119.74 117.86 1pn0 s LYS 146 Ca -0.01 0.31 -0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1pn0 s LYS 146 Cb 0.02 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.68 1pn0 s LYS 146 CO 0.13 -0.15 0.00 1.41 -0.36 0.00 0.00 175.35 176.38 1pn0 s MET 147 N -0.51 0.39 -0.08 4.03 -2.45 -1.26 -1.14 119.30 118.28 1pn0 s MET 147 Ca -0.06 0.09 0.03 0.00 -1.25 0.00 0.00 55.69 54.50 1pn0 s MET 147 Cb -0.03 -0.62 0.01 0.00 1.25 0.00 0.00 34.83 35.44 1pn0 s MET 147 CO 0.03 -0.18 -0.17 -1.21 1.05 0.00 0.00 175.02 174.55 1pn0 s GLU 148 N 1.29 2.22 -0.14 4.11 2.02 -0.17 -4.99 118.70 123.03 1pn0 s GLU 148 Ca -0.06 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.34 1pn0 s GLU 148 Cb -0.13 -1.76 0.01 0.00 0.10 0.00 0.00 34.13 32.35 1pn0 s GLU 148 CO -0.02 0.11 -0.20 0.42 0.02 0.00 0.00 175.26 175.58 1pn0 s ILE 149 N 0.48 2.20 -0.58 -1.63 1.01 -1.26 -0.68 121.20 120.74 1pn0 s ILE 149 Ca -0.15 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 1pn0 s ILE 149 Cb -0.16 -1.89 0.12 0.00 0.01 0.00 0.00 42.46 40.53 1pn0 s ILE 149 CO 0.06 0.54 0.62 -0.62 0.00 0.00 0.00 174.94 175.54 1pn0 s ASP 150 N 0.83 6.20 0.55 3.58 -1.08 -0.21 -4.91 116.67 121.63 1pn0 s ASP 150 Ca -0.06 -1.61 0.33 0.00 -0.52 0.00 0.00 52.55 50.69 1pn0 s ASP 150 Cb -0.15 -2.26 1.44 0.00 -1.46 0.00 0.00 42.92 40.49 1pn0 s ASP 150 CO -0.02 -1.00 2.02 0.28 0.52 0.00 0.00 175.17 176.97 1pn0 h SER 151 N 9.04 0.00 0.70 -0.34 0.02 -1.98 -2.31 113.55 118.68 1pn0 h SER 151 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1pn0 h SER 151 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1pn0 h SER 151 CO 1.07 0.04 0.00 0.77 -1.14 0.00 0.00 176.83 177.57 1pn0 h SER 152 N 0.00 0.00 -0.47 3.07 4.64 -1.98 -2.56 113.55 116.25 1pn0 h SER 152 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn0 h SER 152 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1pn0 h SER 152 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1pn0 n LYS 153 N -2.31 2.67 -0.23 4.77 5.02 -0.87 -4.70 118.16 122.52 1pn0 n LYS 153 Ca 0.02 -2.24 0.14 0.00 -2.02 0.00 0.00 58.31 54.20 1pn0 n LYS 153 Cb 0.22 -1.39 0.44 0.00 -0.02 0.00 0.00 35.03 34.28 1pn0 n LYS 153 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pn0 h ALA 154 N 3.03 1.97 -0.30 7.82 0.00 -1.55 -1.96 119.26 128.26 1pn0 h ALA 154 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pn0 h ALA 154 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pn0 h ALA 154 CO 0.00 -0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.44 1pn0 n GLU 155 N -4.52 2.42 -2.97 0.00 -0.58 -1.26 -4.88 120.64 108.83 1pn0 n GLU 155 Ca 0.16 -2.12 -0.42 0.00 -0.42 0.00 0.00 57.16 54.36 1pn0 n GLU 155 Cb 0.51 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.83 1pn0 n GLU 155 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1pn0 s ASP 156 N -1.60 6.63 0.55 1.62 -1.08 -0.74 -4.92 116.67 117.13 1pn0 s ASP 156 Ca 0.36 0.61 0.33 0.00 -0.52 0.00 0.00 52.55 53.33 1pn0 s ASP 156 Cb 0.22 -2.39 1.41 0.00 -1.46 0.00 0.00 42.92 40.70 1pn0 s ASP 156 CO 0.31 -0.60 2.01 1.55 0.52 0.00 0.00 175.17 178.96 1pn0 h PRO 157 N 8.15 0.00 -0.00 4.34 0.13 -1.90 -2.55 132.00 140.17 1pn0 h PRO 157 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1pn0 h PRO 157 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1pn0 h PRO 157 CO 0.87 0.03 -0.62 0.39 -0.23 0.00 0.00 178.00 178.45 1pn0 n GLU 158 N -3.15 0.08 -2.22 0.86 -0.58 -1.26 -4.97 120.64 109.39 1pn0 n GLU 158 Ca 0.00 -0.05 -0.29 0.00 -0.42 0.00 0.00 57.16 56.40 1pn0 n GLU 158 Cb 0.30 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.69 1pn0 n GLU 158 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pn0 s ALA 159 N -2.96 3.20 -0.64 0.62 0.00 -0.96 -5.03 121.76 115.99 1pn0 s ALA 159 Ca 0.11 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1pn0 s ALA 159 Cb 0.17 -2.81 0.16 0.00 0.00 0.00 0.00 23.12 20.64 1pn0 s ALA 159 CO 0.73 -0.71 0.41 0.71 0.00 0.00 0.00 175.76 176.90 1pn0 s TYR 160 N -3.04 3.35 -0.71 0.00 1.51 -1.26 -4.61 117.35 112.59 1pn0 s TYR 160 Ca 0.53 -3.25 0.24 0.00 -1.01 0.00 0.00 57.07 53.59 1pn0 s TYR 160 Cb -0.11 -2.68 0.91 0.00 -0.11 0.00 0.00 41.96 39.98 1pn0 s TYR 160 CO 0.49 -0.62 1.74 -2.30 -1.11 0.00 0.00 175.55 173.75 1pn0 n PRO 161 N 2.37 0.17 -3.92 -1.71 -0.02 -1.12 -4.50 135.00 126.27 1pn0 n PRO 161 Ca 0.15 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 1pn0 n PRO 161 Cb 0.34 -1.75 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1pn0 n PRO 161 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pn0 s VAL 162 N -3.15 3.09 -0.28 -1.45 1.01 -0.86 -1.05 120.40 117.71 1pn0 s VAL 162 Ca 0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1pn0 s VAL 162 Cb 0.12 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1pn0 s VAL 162 CO 0.47 0.21 0.18 -0.89 0.00 0.00 0.00 175.10 175.07 1pn0 s THR 163 N 1.37 5.22 -0.14 3.92 2.01 0.14 0.09 115.64 128.25 1pn0 s THR 163 Ca 0.01 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 1pn0 s THR 163 Cb -0.16 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1pn0 s THR 163 CO -0.03 0.26 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.01 1pn0 s MET 164 N 1.74 3.44 -0.25 4.92 -1.94 0.79 -1.00 119.30 126.99 1pn0 s MET 164 Ca 0.07 -0.65 -0.08 0.00 -1.71 0.00 0.00 55.69 53.31 1pn0 s MET 164 Cb -0.16 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 1pn0 s MET 164 CO 0.10 0.20 0.10 0.99 -0.01 0.00 0.00 175.02 176.40 1pn0 s THR 165 N 0.40 4.61 -0.07 2.05 2.01 -0.29 0.50 115.64 124.86 1pn0 s THR 165 Ca -0.09 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1pn0 s THR 165 Cb -0.16 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1pn0 s THR 165 CO 0.05 0.32 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.39 1pn0 s LEU 166 N 1.56 2.69 -0.17 4.42 1.43 0.64 0.16 118.68 129.40 1pn0 s LEU 166 Ca 0.06 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1pn0 s LEU 166 Cb -0.15 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1pn0 s LEU 166 CO 0.05 0.30 0.01 -0.60 0.23 0.00 0.00 176.35 176.34 1pn0 s ARG 167 N -0.49 3.79 -0.24 1.70 3.52 0.43 -0.38 118.95 127.28 1pn0 s ARG 167 Ca 0.06 -0.45 -0.27 0.00 -0.13 0.00 0.00 55.73 54.94 1pn0 s ARG 167 Cb -0.12 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1pn0 s ARG 167 CO 0.02 0.23 0.96 0.71 -0.81 0.00 0.00 175.30 176.41 1pn0 s TYR 168 N 0.43 3.32 0.42 5.12 1.51 -0.24 -1.89 117.35 126.01 1pn0 s TYR 168 Ca -0.01 1.33 -0.00 0.00 -1.01 0.00 0.00 57.07 57.38 1pn0 s TYR 168 Cb -0.14 -3.21 -0.02 0.00 -0.11 0.00 0.00 41.96 38.49 1pn0 s TYR 168 CO 0.02 -0.46 0.64 -1.64 -1.11 0.00 0.00 175.55 173.00 1pn0 s MET 169 N 3.09 3.28 0.66 -0.62 -1.94 -0.21 -3.87 119.30 119.68 1pn0 s MET 169 Ca 0.41 -0.34 -0.08 0.00 -1.71 0.00 0.00 55.69 53.97 1pn0 s MET 169 Cb -0.15 -2.57 0.02 0.00 2.01 0.00 0.00 34.83 34.15 1pn0 s MET 169 CO 0.07 -0.12 1.00 -1.54 -0.01 0.00 0.00 175.02 174.43 1pn0 s SER 170 N -4.14 5.33 0.15 3.03 1.04 -1.26 -4.67 113.70 113.18 1pn0 s SER 170 Ca 0.45 0.81 -0.17 0.00 0.48 0.00 0.00 55.95 57.52 1pn0 s SER 170 Cb -0.10 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.38 1pn0 s SER 170 CO 0.38 -1.30 1.80 -0.08 0.98 0.00 0.00 173.24 175.02 1pn0 h GLU 171 N -0.47 0.49 -0.70 4.02 4.81 -1.99 -2.61 114.58 118.13 1pn0 h GLU 171 Ca -0.45 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.80 1pn0 h GLU 171 Cb 1.27 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1pn0 h GLU 171 CO 0.62 0.33 0.41 -0.44 -0.73 0.00 0.00 179.01 179.20 1pn0 h ASP 172 N 0.50 0.62 -0.49 1.04 3.32 -1.95 -1.94 116.42 117.53 1pn0 h ASP 172 Ca 0.14 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1pn0 h ASP 172 Cb -0.05 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1pn0 h ASP 172 CO -0.03 0.41 0.24 -0.33 -1.72 0.00 0.00 179.24 177.80 1pn0 h GLU 173 N 0.76 0.75 0.00 3.56 5.08 -1.86 -2.63 114.58 120.23 1pn0 h GLU 173 Ca 0.31 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1pn0 h GLU 173 Cb 0.16 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1pn0 h GLU 173 CO -0.17 0.60 0.00 -1.13 -1.00 0.00 0.00 179.01 177.31 1pn0 n SER 174 N -4.36 0.43 -4.65 1.42 3.41 -0.78 -4.46 113.62 104.64 1pn0 n SER 174 Ca 0.04 0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 1pn0 n SER 174 Cb 0.14 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 1pn0 n SER 174 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pn0 s THR 175 N -3.06 4.92 0.61 6.66 2.01 -0.90 -1.88 115.64 124.00 1pn0 s THR 175 Ca 0.12 1.40 -0.15 0.00 0.31 0.00 0.00 61.69 63.37 1pn0 s THR 175 Cb 0.15 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1pn0 s THR 175 CO 0.55 0.00 1.06 -2.84 -0.69 0.00 0.00 174.62 172.70 1pn0 s PRO 176 N 2.46 3.24 0.65 4.92 0.02 -1.26 -5.01 135.00 140.01 1pn0 s PRO 176 Ca 0.32 1.16 -0.14 0.00 0.02 0.00 0.00 61.00 62.36 1pn0 s PRO 176 Cb -0.16 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.33 1pn0 s PRO 176 CO 0.09 -0.87 1.08 -0.51 -0.33 0.00 0.00 177.00 176.46 1pn0 s LEU 177 N -4.69 3.37 0.00 -5.54 1.43 -1.26 -4.98 118.68 107.01 1pn0 s LEU 177 Ca 0.63 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 1pn0 s LEU 177 Cb -0.16 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.53 1pn0 s LEU 177 CO 0.40 -1.46 0.25 0.00 0.23 0.00 0.00 176.35 175.77 1pn0 n GLN 178 N -2.45 2.01 -2.61 1.70 1.13 -1.26 -4.46 117.38 111.45 1pn0 n GLN 178 Ca 0.09 -0.25 -0.19 0.00 -1.94 0.00 0.00 57.00 54.72 1pn0 n GLN 178 Cb 0.53 -0.72 0.01 0.00 0.11 0.00 0.00 30.24 30.17 1pn0 n GLN 178 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1pn0 n PHE 179 N -0.36 -1.26 -0.81 1.08 3.72 -1.26 -3.04 117.46 115.54 1pn0 n PHE 179 Ca 0.00 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1pn0 n PHE 179 Cb 0.02 -3.80 0.00 0.00 -0.94 0.00 0.00 39.48 34.76 1pn0 n PHE 179 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pn0 n GLY 180 N -1.21 1.04 3.74 1.37 0.00 -1.26 -4.48 105.19 104.39 1pn0 n GLY 180 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1pn0 n GLY 180 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pn0 s HIS 181 N -3.41 3.84 0.23 1.61 3.76 -1.17 -4.96 115.29 115.19 1pn0 s HIS 181 Ca 0.00 1.71 0.08 0.00 -0.15 0.00 0.00 55.06 56.70 1pn0 s HIS 181 Cb 0.00 -2.94 0.20 0.00 1.11 0.00 0.00 32.58 30.96 1pn0 s HIS 181 CO 0.00 0.32 1.52 0.87 -0.85 0.00 0.00 174.74 176.60 1pn0 h LYS 182 N 5.15 0.07 -6.47 1.40 1.57 -1.94 -3.43 116.57 112.91 1pn0 h LYS 182 Ca -0.44 -0.06 -0.53 0.00 -1.87 0.00 0.00 60.65 57.74 1pn0 h LYS 182 Cb 1.21 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1pn0 h LYS 182 CO 0.70 0.75 0.40 0.99 -0.57 0.00 0.00 179.45 181.72 1pn0 s THR 183 N -3.45 4.62 0.38 -0.16 2.01 -1.26 -4.99 115.64 112.78 1pn0 s THR 183 Ca -0.02 1.97 -0.27 0.00 0.31 0.00 0.00 61.69 63.68 1pn0 s THR 183 Cb 0.12 -4.26 -0.11 0.00 0.01 0.00 0.00 72.50 68.26 1pn0 s THR 183 CO 0.79 0.20 1.30 1.21 -0.69 0.00 0.00 174.62 177.43 1pn0 n GLU 184 N 3.53 2.10 -3.85 4.92 2.13 -1.26 -4.85 120.64 123.36 1pn0 n GLU 184 Ca 0.05 0.74 -0.09 0.00 0.66 0.00 0.00 57.16 58.52 1pn0 n GLU 184 Cb 0.50 -2.38 -0.06 0.00 0.27 0.00 0.00 31.44 29.76 1pn0 n GLU 184 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1pn0 s ASN 185 N -0.38 -0.03 -0.24 4.31 2.20 -1.26 -2.59 114.94 116.95 1pn0 s ASN 185 Ca 0.57 -0.68 0.14 0.00 -0.94 0.00 0.00 52.86 51.95 1pn0 s ASN 185 Cb -0.54 0.44 0.67 0.00 -2.00 0.00 0.00 41.25 39.83 1pn0 s ASN 185 CO 0.61 -0.88 1.61 0.61 -2.94 0.00 0.00 177.10 176.11 1pn0 n GLY 186 N -0.20 3.71 0.36 0.45 0.00 -0.65 -4.63 105.19 104.23 1pn0 n GLY 186 Ca -0.11 -1.01 0.10 0.00 0.00 0.00 0.00 46.02 44.99 1pn0 n GLY 186 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pn0 h LEU 187 N 2.61 0.60 -2.07 0.99 3.38 -1.90 -1.43 115.31 117.48 1pn0 h LEU 187 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1pn0 h LEU 187 Cb 1.83 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1pn0 h LEU 187 CO 0.43 0.35 -0.06 2.19 0.09 0.00 0.00 178.44 181.44 1pn0 h PHE 188 N 0.66 0.00 -0.10 1.13 -0.00 -1.82 -2.57 116.94 114.25 1pn0 h PHE 188 Ca 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.31 1pn0 h PHE 188 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.42 1pn0 h PHE 188 CO -0.00 0.06 -0.05 2.89 -0.00 0.00 0.00 178.31 181.22 1pn0 n ARG 189 N -4.07 1.83 -2.36 6.09 1.85 -0.58 -4.84 116.66 114.57 1pn0 n ARG 189 Ca -0.03 -2.76 -0.26 0.00 -1.00 0.00 0.00 57.85 53.81 1pn0 n ARG 189 Cb 0.15 -1.63 0.04 0.00 -1.05 0.00 0.00 32.46 29.97 1pn0 n ARG 189 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1pn0 s SER 190 N -2.61 5.30 0.00 2.89 1.04 -0.96 -4.95 113.70 114.40 1pn0 s SER 190 Ca 0.36 0.55 0.05 0.00 0.48 0.00 0.00 55.95 57.40 1pn0 s SER 190 Cb 0.31 -1.42 0.31 0.00 0.10 0.00 0.00 66.02 65.32 1pn0 s SER 190 CO 0.04 -1.25 1.01 -0.46 0.98 0.00 0.00 173.24 173.55 1pn0 n ASN 191 N -2.67 0.00 0.19 7.02 0.23 -1.26 -1.69 115.26 117.08 1pn0 n ASN 191 Ca 0.06 -1.41 0.08 0.00 -0.53 0.00 0.00 54.58 52.78 1pn0 n ASN 191 Cb 0.59 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.50 1pn0 n ASN 191 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1pn0 h LEU 192 N 0.00 0.00 -9.70 -4.53 3.38 -1.86 -3.44 115.31 99.16 1pn0 h LEU 192 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1pn0 h LEU 192 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pn0 h LEU 192 CO 0.00 0.25 0.49 -1.58 0.09 0.00 0.00 178.44 177.69 1pn0 s GLN 193 N -3.25 4.58 0.40 1.13 2.00 -0.68 -5.01 119.66 118.84 1pn0 s GLN 193 Ca 0.04 1.78 -0.02 0.00 -2.00 0.00 0.00 55.36 55.16 1pn0 s GLN 193 Cb 0.07 -3.24 -0.03 0.00 0.80 0.00 0.00 33.01 30.61 1pn0 s GLN 193 CO 0.68 0.08 0.64 0.95 -0.50 0.00 0.00 175.29 177.15 1pn0 s THR 194 N -0.48 4.95 0.37 -0.34 -4.23 -1.26 -4.96 115.64 109.69 1pn0 s THR 194 Ca 0.49 -0.23 0.08 0.00 -1.18 0.00 0.00 61.69 60.85 1pn0 s THR 194 Cb -0.31 -3.84 0.15 0.00 1.34 0.00 0.00 72.50 69.85 1pn0 s THR 194 CO 0.37 -0.65 1.89 0.06 -0.54 0.00 0.00 174.62 175.76 1pn0 h GLN 195 N 0.53 0.28 -0.44 3.99 3.07 -1.96 0.12 115.11 120.71 1pn0 h GLN 195 Ca -0.48 -0.07 -0.08 0.00 0.09 0.00 0.00 58.65 58.11 1pn0 h GLN 195 Cb 1.22 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 1pn0 h GLN 195 CO 0.61 0.42 -0.03 0.93 0.09 0.00 0.00 178.83 180.85 1pn0 h GLU 196 N 0.27 0.79 -0.47 0.06 3.07 -1.99 -1.51 114.58 114.80 1pn0 h GLU 196 Ca 0.05 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.36 58.56 1pn0 h GLU 196 Cb 0.39 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1pn0 h GLU 196 CO 0.02 0.88 -0.04 0.93 -1.40 0.00 0.00 179.01 179.40 1pn0 h GLU 197 N 0.63 0.80 0.06 2.33 5.08 -1.82 -1.03 114.58 120.63 1pn0 h GLU 197 Ca 0.12 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1pn0 h GLU 197 Cb 0.54 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1pn0 h GLU 197 CO 0.03 0.84 -0.03 1.49 -1.00 0.00 0.00 179.01 180.34 1pn0 h GLU 198 N 0.74 -0.07 0.06 2.33 4.57 -0.73 -1.43 114.58 120.05 1pn0 h GLU 198 Ca 0.14 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1pn0 h GLU 198 Cb 0.51 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1pn0 h GLU 198 CO 0.03 -0.02 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.25 1pn0 h ASP 199 N -0.11 -0.43 -0.47 1.04 3.32 -1.11 -3.12 116.42 115.54 1pn0 h ASP 199 Ca -0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1pn0 h ASP 199 Cb 0.09 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1pn0 h ASP 199 CO 0.01 -0.22 0.26 0.00 -1.72 0.00 0.00 179.24 177.58 1pn0 h ALA 200 N 0.60 1.52 0.00 3.45 0.00 -1.05 -3.02 119.26 120.76 1pn0 h ALA 200 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pn0 h ALA 200 Cb 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pn0 h ALA 200 CO -0.11 0.40 -0.15 -0.91 0.00 0.00 0.00 179.25 178.48 1pn0 h ASN 201 N 0.70 0.00 -0.31 0.00 2.35 -1.19 -2.88 115.58 114.25 1pn0 h ASN 201 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1pn0 h ASN 201 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1pn0 h ASN 201 CO -0.03 0.15 0.00 -1.22 -1.65 0.00 0.00 177.43 174.68 1pn0 n TYR 202 N -3.62 0.57 -1.89 1.19 4.02 -1.14 -4.88 117.16 111.40 1pn0 n TYR 202 Ca -0.01 -0.61 -0.32 0.00 -0.01 0.00 0.00 57.90 56.94 1pn0 n TYR 202 Cb 0.28 -0.11 0.03 0.00 -0.02 0.00 0.00 39.34 39.52 1pn0 n TYR 202 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1pn0 s ARG 203 N -1.52 3.14 -0.12 -0.72 1.81 -1.09 -4.89 118.95 115.57 1pn0 s ARG 203 Ca 0.28 1.18 -0.29 0.00 -1.72 0.00 0.00 55.73 55.17 1pn0 s ARG 203 Cb 0.18 -2.01 -0.03 0.00 -0.45 0.00 0.00 34.95 32.63 1pn0 s ARG 203 CO 0.13 -0.95 1.48 -1.17 -0.68 0.00 0.00 175.30 174.11 1pn0 s LEU 204 N -4.79 4.22 0.82 2.53 2.96 -1.26 -4.94 118.68 118.21 1pn0 s LEU 204 Ca 0.63 1.93 -0.12 0.00 -0.22 0.00 0.00 54.13 56.35 1pn0 s LEU 204 Cb -0.16 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.08 1pn0 s LEU 204 CO 0.41 -0.89 1.17 -2.84 -1.32 0.00 0.00 176.35 172.88 1pn0 s PRO 205 N 3.88 1.65 -0.33 0.98 0.02 -1.26 -4.83 135.00 135.11 1pn0 s PRO 205 Ca 0.65 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.99 1pn0 s PRO 205 Cb -0.27 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 1pn0 s PRO 205 CO 0.23 -2.17 1.16 -1.91 -0.33 0.00 0.00 177.00 173.98 1pn0 n GLU 206 N -3.47 0.00 -4.03 5.54 2.13 -1.26 -1.40 120.64 118.15 1pn0 n GLU 206 Ca 0.12 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.64 1pn0 n GLU 206 Cb 0.51 -0.98 -0.01 0.00 0.27 0.00 0.00 31.44 31.23 1pn0 n GLU 206 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pn0 n GLY 207 N 3.35 -0.36 3.52 8.31 0.00 -1.26 -4.99 105.19 113.75 1pn0 n GLY 207 Ca 0.25 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 1pn0 n GLY 207 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pn0 s LYS 208 N -6.66 1.82 -0.08 1.61 2.20 -0.50 -5.14 119.74 112.99 1pn0 s LYS 208 Ca 0.41 -1.73 -0.03 0.00 -0.36 0.00 0.00 55.97 54.26 1pn0 s LYS 208 Cb -0.22 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 1pn0 s LYS 208 CO 0.89 0.30 0.05 -1.21 -0.36 0.00 0.00 175.35 175.02 1pn0 s GLU 209 N -3.56 3.11 0.36 4.03 2.02 -1.26 -4.86 118.70 118.54 1pn0 s GLU 209 Ca 0.31 -0.35 -0.25 0.00 0.02 0.00 0.00 54.97 54.69 1pn0 s GLU 209 Cb -0.04 -2.91 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 1pn0 s GLU 209 CO 0.16 0.71 1.01 0.00 0.02 0.00 0.00 175.26 177.17 1pn0 s ALA 210 N -0.98 3.16 0.05 5.21 0.00 -1.26 -4.97 121.76 122.97 1pn0 s ALA 210 Ca 0.16 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.54 1pn0 s ALA 210 Cb -0.12 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 1pn0 s ALA 210 CO 0.05 -0.06 1.49 0.78 0.00 0.00 0.00 175.76 178.03 1pn0 h GLY 211 N 2.85 0.18 -5.35 0.00 0.00 -1.94 -3.33 103.07 95.49 1pn0 h GLY 211 Ca -0.48 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 1pn0 h GLY 211 CO 0.64 0.12 -0.30 1.85 0.00 0.00 0.00 176.54 178.85 1pn0 s GLU 212 N -5.06 0.41 -0.22 4.80 2.12 -1.26 -1.43 118.70 118.05 1pn0 s GLU 212 Ca -0.14 0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.75 1pn0 s GLU 212 Cb 0.05 0.17 0.04 0.00 0.26 0.00 0.00 34.13 34.65 1pn0 s GLU 212 CO 0.70 -0.07 -0.15 0.42 -0.54 0.00 0.00 175.26 175.62 1pn0 s ILE 213 N 0.38 2.13 -0.17 -3.70 -1.09 -0.32 -1.08 121.20 117.33 1pn0 s ILE 213 Ca -0.02 -1.30 -0.03 0.00 -2.23 0.00 0.00 60.65 57.08 1pn0 s ILE 213 Cb -0.04 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.74 1pn0 s ILE 213 CO -0.01 0.25 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.19 1pn0 s GLU 214 N 1.19 3.51 -0.34 2.79 2.12 0.49 -1.44 118.70 127.02 1pn0 s GLU 214 Ca -0.02 -0.59 -0.21 0.00 0.36 0.00 0.00 54.97 54.51 1pn0 s GLU 214 Cb -0.17 -2.90 -0.00 0.00 0.26 0.00 0.00 34.13 31.32 1pn0 s GLU 214 CO -0.09 0.07 0.64 0.99 -0.54 0.00 0.00 175.26 176.34 1pn0 s THR 215 N 0.78 4.90 -0.25 -1.70 2.01 0.14 -0.26 115.64 121.25 1pn0 s THR 215 Ca -0.02 0.69 -0.02 0.00 0.31 0.00 0.00 61.69 62.65 1pn0 s THR 215 Cb -0.15 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.33 1pn0 s THR 215 CO 0.02 -0.26 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.95 1pn0 s VAL 216 N 2.70 3.00 -0.19 3.82 1.01 0.18 -1.41 120.40 129.52 1pn0 s VAL 216 Ca 0.25 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 1pn0 s VAL 216 Cb -0.15 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1pn0 s VAL 216 CO 0.14 0.20 0.88 -1.00 0.00 0.00 0.00 175.10 175.32 1pn0 s HIS 217 N 1.35 3.39 0.02 5.22 3.76 -0.34 -0.15 115.29 128.55 1pn0 s HIS 217 Ca 0.01 1.30 0.08 0.00 -0.15 0.00 0.00 55.06 56.29 1pn0 s HIS 217 Cb -0.17 -3.08 -0.02 0.00 1.11 0.00 0.00 32.58 30.42 1pn0 s HIS 217 CO -0.04 -0.31 -0.23 0.00 -0.85 0.00 0.00 174.74 173.31 1pn0 h LYS 219 N 5.14 0.48 -3.59 0.00 1.57 -1.35 -2.26 116.57 116.56 1pn0 h LYS 219 Ca -0.43 -0.60 -0.15 0.00 -1.87 0.00 0.00 60.65 57.60 1pn0 h LYS 219 Cb 1.14 0.19 -0.21 0.00 0.08 0.00 0.00 32.23 33.43 1pn0 h LYS 219 CO 0.45 1.24 -0.53 0.71 -0.57 0.00 0.00 179.45 180.75 1pn0 s TYR 220 N -3.06 0.07 -0.02 -1.35 2.02 -0.26 -4.60 117.35 110.15 1pn0 s TYR 220 Ca -0.07 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1pn0 s TYR 220 Cb 0.07 -0.07 0.00 0.00 -0.40 0.00 0.00 41.96 41.56 1pn0 s TYR 220 CO 0.90 -0.26 -0.08 0.08 -1.57 0.00 0.00 175.55 174.62 1pn0 s VAL 221 N -1.32 0.65 -0.22 0.71 1.01 -0.44 -1.35 120.40 119.44 1pn0 s VAL 221 Ca -0.14 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1pn0 s VAL 221 Cb -0.08 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.77 1pn0 s VAL 221 CO 0.01 0.20 -0.14 -0.63 0.00 0.00 0.00 175.10 174.54 1pn0 s ILE 222 N 0.07 2.04 -0.55 2.22 1.01 -0.16 -0.96 121.20 124.87 1pn0 s ILE 222 Ca -0.01 -1.29 -0.26 0.00 0.00 0.00 0.00 60.65 59.10 1pn0 s ILE 222 Cb -0.06 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.41 1pn0 s ILE 222 CO -0.00 0.20 1.03 -0.83 0.00 0.00 0.00 174.94 175.33 1pn0 s GLY 223 N 1.22 1.32 -0.39 6.18 0.00 0.20 -0.78 107.32 115.07 1pn0 s GLY 223 Ca -0.03 -1.04 0.06 0.00 0.00 0.00 0.00 44.72 43.70 1pn0 s GLY 223 CO -0.08 2.20 1.18 0.00 0.00 0.00 0.00 173.10 176.40 1pn0 n ASP 225 N -0.58 4.53 0.00 0.00 5.75 -1.07 -4.30 116.55 120.87 1pn0 n ASP 225 Ca 0.42 -3.31 0.00 0.00 -0.01 0.00 0.00 54.79 51.89 1pn0 n ASP 225 Cb 0.78 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1pn0 n ASP 225 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pn0 n GLY 226 N -0.37 -2.66 0.27 6.12 0.00 -1.26 -3.92 105.19 103.37 1pn0 n GLY 226 Ca 0.43 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.87 1pn0 n GLY 226 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pn0 h GLY 227 N 0.00 0.00 -3.22 -0.02 0.00 -1.93 -0.13 103.07 97.77 1pn0 h GLY 227 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1pn0 h GLY 227 CO 0.00 0.00 0.08 1.42 0.00 0.00 0.00 176.54 178.04 1pn0 n HIS 228 N -4.41 1.99 -0.22 5.60 8.25 -1.26 -4.81 115.22 120.35 1pn0 n HIS 228 Ca -0.03 -0.92 -0.10 0.00 -0.26 0.00 0.00 57.72 56.41 1pn0 n HIS 228 Cb 0.10 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 30.65 1pn0 n HIS 228 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pn0 n SER 229 N 0.15 0.14 -0.06 0.41 2.88 -0.08 -4.82 113.62 112.25 1pn0 n SER 229 Ca 0.31 0.13 -0.05 0.00 -1.33 0.00 0.00 58.87 57.93 1pn0 n SER 229 Cb 1.20 -0.15 0.16 0.00 -0.75 0.00 0.00 64.21 64.68 1pn0 n SER 229 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1pn0 h TRP 230 N 1.30 0.74 -0.10 0.66 7.01 -1.88 -2.05 115.95 121.63 1pn0 h TRP 230 Ca -0.03 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 60.83 1pn0 h TRP 230 Cb 0.23 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1pn0 h TRP 230 CO 0.15 0.78 0.04 0.28 -2.79 0.00 0.00 178.44 176.89 1pn0 h VAL 231 N 0.61 1.15 -0.19 2.65 2.07 -1.95 -0.26 116.25 120.33 1pn0 h VAL 231 Ca 0.10 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1pn0 h VAL 231 Cb 0.59 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1pn0 h VAL 231 CO 0.04 0.13 -0.00 -0.09 0.02 0.00 0.00 177.57 177.66 1pn0 h ARG 232 N 0.00 0.05 -0.30 1.57 2.43 -1.87 -1.06 114.38 115.20 1pn0 h ARG 232 Ca 0.03 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1pn0 h ARG 232 Cb 0.17 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1pn0 h ARG 232 CO -0.00 0.04 -0.02 0.00 -1.51 0.00 0.00 179.97 178.47 1pn0 h ARG 233 N 0.06 0.47 -0.20 0.20 3.08 -1.22 -1.11 114.38 115.65 1pn0 h ARG 233 Ca 0.09 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1pn0 h ARG 233 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1pn0 h ARG 233 CO -0.15 0.51 -0.48 1.15 -1.07 0.00 0.00 179.97 179.93 1pn0 h THR 234 N 0.45 1.31 0.00 2.04 2.02 -0.55 -2.01 112.91 116.17 1pn0 h THR 234 Ca 0.10 -1.69 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 1pn0 h THR 234 Cb 0.33 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1pn0 h THR 234 CO 0.01 0.53 -0.10 -0.07 0.37 0.00 0.00 175.52 176.26 1pn0 h LEU 235 N 0.42 0.00 0.00 2.58 3.38 -0.60 -3.46 115.31 117.63 1pn0 h LEU 235 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pn0 h LEU 235 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1pn0 h LEU 235 CO 0.09 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1pn0 n GLY 236 N 0.06 0.49 3.59 0.83 0.00 -0.48 -5.00 105.19 104.68 1pn0 n GLY 236 Ca 0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1pn0 n GLY 236 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pn0 s PHE 237 N -2.00 2.82 0.40 1.61 0.08 -0.98 -5.00 117.98 114.90 1pn0 s PHE 237 Ca 0.00 0.57 -0.26 0.00 0.12 0.00 0.00 56.93 57.35 1pn0 s PHE 237 Cb 0.00 -4.31 -0.09 0.00 -0.57 0.00 0.00 43.02 38.05 1pn0 s PHE 237 CO 0.00 -1.26 1.30 -2.00 -0.10 0.00 0.00 175.22 173.16 1pn0 s GLU 238 N 4.30 4.02 -0.23 0.44 2.12 -1.26 -4.73 118.70 123.37 1pn0 s GLU 238 Ca 0.44 2.16 -0.04 0.00 0.36 0.00 0.00 54.97 57.89 1pn0 s GLU 238 Cb -0.08 -2.80 -0.00 0.00 0.26 0.00 0.00 34.13 31.51 1pn0 s GLU 238 CO 0.29 -0.45 -0.04 -1.64 -0.54 0.00 0.00 175.26 172.88 1pn0 s MET 239 N -2.18 3.26 -0.11 4.30 -1.94 -1.26 -4.05 119.30 117.33 1pn0 s MET 239 Ca 0.56 -0.70 -0.15 0.00 -1.71 0.00 0.00 55.69 53.69 1pn0 s MET 239 Cb -0.38 -3.01 -0.05 0.00 2.01 0.00 0.00 34.83 33.40 1pn0 s MET 239 CO 0.49 -0.24 0.37 0.42 -0.01 0.00 0.00 175.02 176.05 1pn0 s ILE 240 N 1.45 5.21 0.00 2.53 1.01 -0.40 -4.78 121.20 126.22 1pn0 s ILE 240 Ca 0.05 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.44 1pn0 s ILE 240 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1pn0 s ILE 240 CO -0.03 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1pn0 n GLY 241 N 2.90 4.62 3.19 6.18 0.00 -1.26 -2.02 105.19 118.80 1pn0 n GLY 241 Ca -0.11 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 1pn0 n GLY 241 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pn0 s GLU 242 N -3.88 1.10 0.24 1.61 2.56 -1.22 -4.83 118.70 114.29 1pn0 s GLU 242 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 54.97 53.88 1pn0 s GLU 242 Cb 0.00 -1.16 -0.09 0.00 2.00 0.00 0.00 34.13 34.88 1pn0 s GLU 242 CO 0.00 0.29 0.86 -1.14 -0.56 0.00 0.00 175.26 174.71 1pn0 s GLN 243 N -1.18 4.57 0.76 4.30 0.74 -1.26 -4.17 119.66 123.42 1pn0 s GLN 243 Ca 0.04 1.23 -0.04 0.00 0.05 0.00 0.00 55.36 56.63 1pn0 s GLN 243 Cb -0.08 -3.04 0.16 0.00 1.10 0.00 0.00 33.01 31.15 1pn0 s GLN 243 CO 0.02 0.43 1.03 0.25 -0.55 0.00 0.00 175.29 176.47 1pn0 n THR 244 N 1.06 0.00 1.24 -0.34 -2.24 -0.02 -5.00 114.28 108.98 1pn0 n THR 244 Ca -0.02 -1.36 0.13 0.00 -2.27 0.00 0.00 64.05 60.53 1pn0 n THR 244 Cb 0.49 -1.07 0.30 0.00 -2.10 0.00 0.00 70.33 67.95 1pn0 n THR 244 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pn0 n ASP 245 N -3.14 1.79 -4.76 3.42 8.00 -1.26 -4.58 116.55 116.01 1pn0 n ASP 245 Ca 0.16 -1.44 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 1pn0 n ASP 245 Cb 0.56 0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.77 1pn0 n ASP 245 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pn0 s TYR 246 N -2.22 2.83 -0.03 1.24 2.02 -1.26 -4.79 117.35 115.14 1pn0 s TYR 246 Ca 0.29 1.10 0.01 0.00 -0.37 0.00 0.00 57.07 58.10 1pn0 s TYR 246 Cb 0.20 -3.91 0.01 0.00 -0.40 0.00 0.00 41.96 37.86 1pn0 s TYR 246 CO 0.42 -2.80 -0.05 -1.50 -1.57 0.00 0.00 175.55 170.05 1pn0 s ILE 247 N -0.59 0.53 0.14 2.71 1.10 -1.26 -2.35 121.20 121.48 1pn0 s ILE 247 Ca 0.56 -0.18 0.07 0.00 -0.51 0.00 0.00 60.65 60.59 1pn0 s ILE 247 Cb -0.44 -0.52 -0.04 0.00 0.15 0.00 0.00 42.46 41.61 1pn0 s ILE 247 CO 0.52 0.20 -0.15 0.26 -2.11 0.00 0.00 174.94 173.66 1pn0 s TRP 248 N 0.54 1.52 0.33 3.50 0.52 -0.15 -0.51 118.94 124.69 1pn0 s TRP 248 Ca -0.07 -0.54 0.09 0.00 0.02 0.00 0.00 56.10 55.61 1pn0 s TRP 248 Cb -0.11 -0.78 -0.05 0.00 -1.15 0.00 0.00 33.47 31.38 1pn0 s TRP 248 CO 0.00 0.20 -0.03 0.20 0.02 0.00 0.00 176.95 177.34 1pn0 s GLY 249 N -2.55 2.05 -0.02 0.98 0.00 0.13 -1.09 107.32 106.82 1pn0 s GLY 249 Ca 0.11 -1.96 0.02 0.00 0.00 0.00 0.00 44.72 42.89 1pn0 s GLY 249 CO 0.04 -1.92 -0.05 0.14 0.00 0.00 0.00 173.10 171.31 1pn0 s VAL 250 N -2.52 0.52 -0.09 1.40 1.01 0.33 -0.27 120.40 120.77 1pn0 s VAL 250 Ca 0.34 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1pn0 s VAL 250 Cb -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1pn0 s VAL 250 CO 0.18 0.19 -0.14 -0.76 0.00 0.00 0.00 175.10 174.57 1pn0 s LEU 251 N 0.40 1.66 -0.43 3.92 1.43 -0.16 -1.67 118.68 123.84 1pn0 s LEU 251 Ca -0.05 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 1pn0 s LEU 251 Cb -0.09 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.21 1pn0 s LEU 251 CO -0.00 0.02 0.29 -1.81 0.23 0.00 0.00 176.35 175.08 1pn0 s ASP 252 N 0.89 5.84 0.09 2.29 1.11 -0.44 -0.26 116.67 126.19 1pn0 s ASP 252 Ca -0.09 -1.31 -0.06 0.00 0.18 0.00 0.00 52.55 51.26 1pn0 s ASP 252 Cb -0.15 -2.07 -0.01 0.00 1.07 0.00 0.00 42.92 41.76 1pn0 s ASP 252 CO 0.01 -0.54 0.14 0.00 1.18 0.00 0.00 175.17 175.96 1pn0 s ALA 253 N 1.53 0.05 -0.36 5.23 0.00 -0.56 -0.59 121.76 127.05 1pn0 s ALA 253 Ca 0.03 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 1pn0 s ALA 253 Cb -0.22 0.51 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1pn0 s ALA 253 CO 0.05 -0.49 0.51 0.08 0.00 0.00 0.00 175.76 175.90 1pn0 s VAL 254 N -3.90 5.02 0.46 0.00 1.01 -0.38 0.03 120.40 122.63 1pn0 s VAL 254 Ca 0.08 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1pn0 s VAL 254 Cb 0.06 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1pn0 s VAL 254 CO -0.09 -0.24 0.78 -2.16 0.00 0.00 0.00 175.10 173.40 1pn0 s PRO 255 N 2.38 3.62 -0.30 2.72 0.04 -1.26 -0.16 135.00 142.04 1pn0 s PRO 255 Ca 0.18 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1pn0 s PRO 255 Cb -0.15 -2.38 0.09 0.00 0.04 0.00 0.00 34.50 32.10 1pn0 s PRO 255 CO 0.13 -0.15 0.07 0.00 0.04 0.00 0.00 177.00 177.09 1pn0 s ALA 256 N -2.62 1.88 -0.06 8.56 0.00 0.40 -4.66 121.76 125.27 1pn0 s ALA 256 Ca 0.49 -1.80 -0.21 0.00 0.00 0.00 0.00 51.96 50.43 1pn0 s ALA 256 Cb -0.10 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.40 1pn0 s ALA 256 CO 0.40 -1.60 0.48 0.45 0.00 0.00 0.00 175.76 175.49 1pn0 s SER 257 N 1.43 -0.42 -0.05 0.00 0.15 -1.26 -0.89 113.70 112.66 1pn0 s SER 257 Ca 0.08 0.47 0.18 0.00 0.70 0.00 0.00 55.95 57.38 1pn0 s SER 257 Cb -0.18 0.51 0.62 0.00 -1.71 0.00 0.00 66.02 65.26 1pn0 s SER 257 CO -0.18 -0.46 1.51 -0.46 1.20 0.00 0.00 173.24 174.85 1pn0 n ASN 258 N 1.39 3.93 -4.68 5.45 6.94 -1.25 -4.93 115.26 122.12 1pn0 n ASN 258 Ca -0.19 -2.20 -0.42 0.00 -0.02 0.00 0.00 54.58 51.74 1pn0 n ASN 258 Cb 0.56 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1pn0 n ASN 258 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pn0 s PHE 259 N -1.47 2.13 0.38 -2.53 5.36 -1.26 -4.87 117.98 115.70 1pn0 s PHE 259 Ca 0.45 0.13 0.07 0.00 -0.96 0.00 0.00 56.93 56.61 1pn0 s PHE 259 Cb 0.26 -4.03 0.78 0.00 -0.34 0.00 0.00 43.02 39.70 1pn0 s PHE 259 CO 0.26 -4.27 1.98 -1.35 -1.46 0.00 0.00 175.22 170.38 1pn0 h PRO 260 N 8.93 0.67 -0.74 10.12 0.11 -1.99 -2.87 132.00 146.23 1pn0 h PRO 260 Ca -0.44 -0.04 -0.43 0.00 0.11 0.00 0.00 66.00 65.20 1pn0 h PRO 260 Cb 1.20 -0.15 -0.25 0.00 0.11 0.00 0.00 31.00 31.92 1pn0 h PRO 260 CO 0.94 0.44 0.28 -0.25 -0.21 0.00 0.00 178.00 179.20 1pn0 n ASP 261 N -4.47 4.19 0.30 -2.05 8.00 -1.26 -4.70 116.55 116.56 1pn0 n ASP 261 Ca 0.09 -3.73 0.16 0.00 0.71 0.00 0.00 54.79 52.02 1pn0 n ASP 261 Cb 0.20 -0.74 0.94 0.00 -0.02 0.00 0.00 41.12 41.50 1pn0 n ASP 261 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1pn0 h ILE 262 N 1.12 0.45 -0.42 0.53 6.09 -1.90 -1.13 117.51 122.25 1pn0 h ILE 262 Ca 0.46 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.89 1pn0 h ILE 262 Cb 1.89 1.04 0.00 0.00 0.47 0.00 0.00 36.82 40.21 1pn0 h ILE 262 CO 0.91 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 176.54 1pn0 n ARG 263 N -3.72 2.52 -4.06 2.19 5.12 -1.26 -4.76 116.66 112.69 1pn0 n ARG 263 Ca -0.03 -2.32 -0.27 0.00 -1.93 0.00 0.00 57.85 53.31 1pn0 n ARG 263 Cb 0.10 -1.51 -0.05 0.00 -1.16 0.00 0.00 32.46 29.83 1pn0 n ARG 263 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1pn0 s SER 264 N -1.42 5.62 0.43 0.55 0.15 -0.43 -4.68 113.70 113.91 1pn0 s SER 264 Ca 0.39 -0.08 -0.26 0.00 0.70 0.00 0.00 55.95 56.71 1pn0 s SER 264 Cb 0.23 -1.50 -0.08 0.00 -1.71 0.00 0.00 66.02 62.95 1pn0 s SER 264 CO 0.31 0.08 1.35 -0.60 1.20 0.00 0.00 173.24 175.59 1pn0 s ARG 265 N -3.04 3.84 0.01 5.44 3.52 -0.75 -4.42 118.95 123.54 1pn0 s ARG 265 Ca 0.31 2.26 -0.08 0.00 -0.13 0.00 0.00 55.73 58.10 1pn0 s ARG 265 Cb -0.10 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1pn0 s ARG 265 CO 0.24 -0.63 0.15 0.00 -0.81 0.00 0.00 175.30 174.24 1pn0 s ALA 267 N -1.52 2.42 -0.13 0.00 0.00 0.01 -1.39 121.76 121.15 1pn0 s ALA 267 Ca -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1pn0 s ALA 267 Cb -0.07 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 22.02 1pn0 s ALA 267 CO 0.01 0.21 -0.12 0.42 0.00 0.00 0.00 175.76 176.28 1pn0 s ILE 268 N 0.43 1.41 -0.30 0.00 1.01 -0.03 -0.51 121.20 123.20 1pn0 s ILE 268 Ca -0.13 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1pn0 s ILE 268 Cb -0.17 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1pn0 s ILE 268 CO 0.06 0.43 0.11 -1.00 0.00 0.00 0.00 174.94 174.54 1pn0 s HIS 269 N 1.48 3.16 0.65 3.97 3.76 -0.57 -0.78 115.29 126.96 1pn0 s HIS 269 Ca 0.04 -0.80 -0.07 0.00 -0.15 0.00 0.00 55.06 54.08 1pn0 s HIS 269 Cb -0.13 -2.30 0.03 0.00 1.11 0.00 0.00 32.58 31.29 1pn0 s HIS 269 CO -0.09 -0.52 0.97 -1.54 -0.85 0.00 0.00 174.74 172.70 1pn0 s SER 270 N 1.55 5.25 0.16 1.40 1.04 -0.75 -3.71 113.70 118.65 1pn0 s SER 270 Ca 0.03 0.64 -0.15 0.00 0.48 0.00 0.00 55.95 56.96 1pn0 s SER 270 Cb -0.17 -1.47 0.04 0.00 0.10 0.00 0.00 66.02 64.52 1pn0 s SER 270 CO 0.04 -1.31 1.81 0.00 0.98 0.00 0.00 173.24 174.76 1pn0 h ALA 271 N -0.39 0.61 0.00 5.32 0.00 -1.87 -3.39 119.26 119.53 1pn0 h ALA 271 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1pn0 h ALA 271 Cb 1.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pn0 h ALA 271 CO 0.61 0.08 0.00 0.39 0.00 0.00 0.00 179.25 180.33 1pn0 n GLU 272 N -4.73 0.00 -0.12 0.00 -0.58 -1.26 -4.65 120.64 109.30 1pn0 n GLU 272 Ca 0.02 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.85 1pn0 n GLU 272 Cb 0.04 -0.40 0.15 0.00 -0.57 0.00 0.00 31.44 30.66 1pn0 n GLU 272 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1pn0 n SER 273 N 0.00 3.00 0.00 1.62 7.64 -1.26 -5.09 113.62 119.53 1pn0 n SER 273 Ca 0.00 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1pn0 n SER 273 Cb 0.25 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1pn0 n SER 273 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn0 n GLY 274 N 1.15 -2.33 3.62 0.23 0.00 -1.26 -4.80 105.19 101.79 1pn0 n GLY 274 Ca 0.15 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 1pn0 n GLY 274 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pn0 s SER 275 N -1.72 4.20 0.03 1.61 0.01 -1.26 -1.80 113.70 114.77 1pn0 s SER 275 Ca 0.00 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.39 1pn0 s SER 275 Cb 0.00 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.63 1pn0 s SER 275 CO 0.00 -0.15 -0.11 -0.63 0.41 0.00 0.00 173.24 172.77 1pn0 s ILE 276 N -2.47 0.82 -0.14 1.44 1.01 0.04 -1.25 121.20 120.65 1pn0 s ILE 276 Ca 0.33 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1pn0 s ILE 276 Cb -0.02 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.70 1pn0 s ILE 276 CO 0.19 -0.04 -0.22 -0.32 0.00 0.00 0.00 174.94 174.56 1pn0 s MET 277 N -0.95 3.03 -0.15 2.79 -2.45 -0.24 -0.85 119.30 120.47 1pn0 s MET 277 Ca -0.01 -0.85 -0.13 0.00 -1.25 0.00 0.00 55.69 53.45 1pn0 s MET 277 Cb -0.07 -2.45 -0.05 0.00 1.25 0.00 0.00 34.83 33.51 1pn0 s MET 277 CO 0.01 -0.02 0.28 0.42 1.05 0.00 0.00 175.02 176.76 1pn0 s ILE 278 N 0.83 5.31 -0.41 10.11 1.01 -0.49 -0.90 121.20 136.66 1pn0 s ILE 278 Ca -0.07 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.12 1pn0 s ILE 278 Cb -0.15 -3.61 0.12 0.00 0.01 0.00 0.00 42.46 38.82 1pn0 s ILE 278 CO -0.02 0.41 0.18 -0.63 0.00 0.00 0.00 174.94 174.88 1pn0 s ILE 279 N 0.31 1.66 0.23 2.92 -1.09 0.16 -2.12 121.20 123.27 1pn0 s ILE 279 Ca 0.16 -2.42 -0.30 0.00 -2.23 0.00 0.00 60.65 55.86 1pn0 s ILE 279 Cb -0.13 -2.19 -0.09 0.00 -1.58 0.00 0.00 42.46 38.47 1pn0 s ILE 279 CO 0.04 -0.78 1.32 -2.16 -1.23 0.00 0.00 174.94 172.13 1pn0 s PRO 280 N 0.59 4.38 0.02 2.79 0.04 -1.26 -0.34 135.00 141.21 1pn0 s PRO 280 Ca 0.15 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1pn0 s PRO 280 Cb -0.22 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1pn0 s PRO 280 CO -0.06 -0.25 0.00 0.54 0.04 0.00 0.00 177.00 177.27 1pn0 n ARG 281 N 2.27 1.86 -1.54 4.56 5.12 0.04 -4.72 116.66 124.24 1pn0 n ARG 281 Ca 0.05 -0.14 -0.31 0.00 -1.93 0.00 0.00 57.85 55.52 1pn0 n ARG 281 Cb 0.42 0.03 0.06 0.00 -1.16 0.00 0.00 32.46 31.81 1pn0 n ARG 281 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1pn0 s GLU 282 N -2.07 2.82 -1.43 5.56 1.03 -1.26 -4.29 118.70 119.06 1pn0 s GLU 282 Ca 0.00 0.95 -0.02 0.00 0.03 0.00 0.00 54.97 55.92 1pn0 s GLU 282 Cb -0.00 -1.98 0.02 0.00 -0.80 0.00 0.00 34.13 31.37 1pn0 s GLU 282 CO 0.00 -1.18 0.51 0.09 -1.33 0.00 0.00 175.26 173.35 1pn0 n ASN 283 N -3.18 -0.90 0.00 0.83 3.02 -1.26 -1.29 115.26 112.48 1pn0 n ASN 283 Ca 0.08 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1pn0 n ASN 283 Cb 0.54 -3.19 0.00 0.00 -0.61 0.00 0.00 39.78 36.52 1pn0 n ASN 283 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pn0 n ASN 284 N -2.96 -0.84 -4.82 6.41 3.02 -1.26 -4.99 115.26 109.82 1pn0 n ASN 284 Ca -0.26 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 53.97 1pn0 n ASN 284 Cb 0.66 -1.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.10 1pn0 n ASN 284 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pn0 s LEU 285 N 0.00 3.75 -0.02 3.41 1.43 -0.41 -4.46 118.68 122.38 1pn0 s LEU 285 Ca 0.00 1.68 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 1pn0 s LEU 285 Cb 0.00 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.70 1pn0 s LEU 285 CO 0.00 -0.60 -0.02 -0.69 0.23 0.00 0.00 176.35 175.28 1pn0 s VAL 286 N -2.37 0.23 -0.12 -1.59 1.01 0.10 -0.78 120.40 116.88 1pn0 s VAL 286 Ca 0.62 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 1pn0 s VAL 286 Cb -0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1pn0 s VAL 286 CO 0.24 0.11 0.31 -0.60 0.00 0.00 0.00 175.10 175.16 1pn0 s ARG 287 N 0.47 4.09 -0.18 2.72 3.52 0.53 -1.50 118.95 128.60 1pn0 s ARG 287 Ca -0.05 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1pn0 s ARG 287 Cb -0.08 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1pn0 s ARG 287 CO -0.01 0.39 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.65 1pn0 s PHE 288 N -0.02 2.81 -0.30 5.12 0.40 0.64 -0.66 117.98 125.96 1pn0 s PHE 288 Ca 0.18 -1.44 -0.17 0.00 -0.60 0.00 0.00 56.93 54.91 1pn0 s PHE 288 Cb -0.14 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1pn0 s PHE 288 CO 0.06 -0.72 0.46 0.71 0.70 0.00 0.00 175.22 176.43 1pn0 s TYR 289 N 1.25 3.23 -0.18 0.36 1.51 -0.07 -0.99 117.35 122.45 1pn0 s TYR 289 Ca 0.03 0.36 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 1pn0 s TYR 289 Cb -0.14 -2.73 0.02 0.00 -0.11 0.00 0.00 41.96 39.01 1pn0 s TYR 289 CO -0.09 -0.36 -0.17 0.08 -1.11 0.00 0.00 175.55 173.90 1pn0 s VAL 290 N 2.23 1.90 0.36 0.71 1.01 0.63 -1.08 120.40 126.16 1pn0 s VAL 290 Ca 0.18 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 1pn0 s VAL 290 Cb -0.16 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1pn0 s VAL 290 CO 0.11 0.46 1.17 -1.58 0.00 0.00 0.00 175.10 175.26 1pn0 s GLN 291 N 1.34 4.25 0.34 2.72 0.74 -0.38 0.20 119.66 128.88 1pn0 s GLN 291 Ca 0.04 1.88 0.09 0.00 0.05 0.00 0.00 55.36 57.42 1pn0 s GLN 291 Cb -0.14 -2.86 -0.05 0.00 1.10 0.00 0.00 33.01 31.07 1pn0 s GLN 291 CO -0.12 -0.16 0.04 -0.51 -0.55 0.00 0.00 175.29 174.00 1pn0 s LEU 292 N -2.13 3.05 -0.11 3.68 1.43 0.33 -4.73 118.68 120.19 1pn0 s LEU 292 Ca 0.53 -0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 1pn0 s LEU 292 Cb -0.32 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1pn0 s LEU 292 CO 0.41 -0.26 0.51 -1.10 0.23 0.00 0.00 176.35 176.14 1pn0 s GLN 293 N -3.75 4.35 0.00 1.70 -1.52 -1.26 -4.46 119.66 114.72 1pn0 s GLN 293 Ca 0.35 0.51 0.00 0.00 -1.95 0.00 0.00 55.36 54.27 1pn0 s GLN 293 Cb -0.01 -3.44 0.00 0.00 -0.22 0.00 0.00 33.01 29.35 1pn0 s GLN 293 CO 0.20 0.15 0.00 0.00 -0.25 0.00 0.00 175.29 175.39 1pn0 n ALA 294 N 3.67 0.00 -1.67 6.09 0.00 -1.26 -5.04 120.51 122.31 1pn0 n ALA 294 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.93 1pn0 n ALA 294 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1pn0 n ALA 294 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1pn0 n ARG 301 N 0.00 2.63 -2.52 0.00 3.00 -1.26 -4.65 116.66 113.85 1pn0 n ARG 301 Ca 0.00 0.96 -0.43 0.00 -0.00 0.00 0.00 57.85 58.39 1pn0 n ARG 301 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 32.46 29.54 1pn0 n ARG 301 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1pn0 s VAL 302 N 4.42 4.43 -0.35 5.15 1.01 -1.26 -4.98 120.40 128.82 1pn0 s VAL 302 Ca 0.91 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 64.33 1pn0 s VAL 302 Cb -0.52 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 31.74 1pn0 s VAL 302 CO 0.45 -0.07 1.46 -0.62 0.00 0.00 0.00 175.10 176.32 1pn0 s ASP 303 N 1.50 6.38 0.46 3.32 -1.08 -1.26 -4.90 116.67 121.09 1pn0 s ASP 303 Ca 0.52 1.10 0.22 0.00 -0.52 0.00 0.00 52.55 53.87 1pn0 s ASP 303 Cb -0.21 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 39.83 1pn0 s ASP 303 CO 0.16 -1.35 1.94 0.03 0.52 0.00 0.00 175.17 176.48 1pn0 h ARG 304 N 10.60 0.00 0.00 4.34 3.08 -1.95 -0.84 114.38 129.61 1pn0 h ARG 304 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1pn0 h ARG 304 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1pn0 h ARG 304 CO 1.05 0.22 0.00 1.79 -1.07 0.00 0.00 179.97 181.96 1pn0 h THR 305 N 0.00 0.00 -0.01 2.04 1.35 -1.91 -2.91 112.91 111.47 1pn0 h THR 305 Ca -0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1pn0 h THR 305 Cb 0.52 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1pn0 h THR 305 CO 0.03 0.00 -0.40 0.29 -0.25 0.00 0.00 175.52 175.19 1pn0 n LYS 306 N -3.00 1.14 -2.90 4.72 5.02 -0.36 -4.72 118.16 118.06 1pn0 n LYS 306 Ca 0.02 -0.88 -0.44 0.00 -2.02 0.00 0.00 58.31 54.99 1pn0 n LYS 306 Cb 0.36 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1pn0 n LYS 306 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1pn0 s PHE 307 N -2.47 3.04 0.30 2.13 2.19 -1.00 -4.94 117.98 117.23 1pn0 s PHE 307 Ca 0.21 -1.26 0.07 0.00 0.33 0.00 0.00 56.93 56.28 1pn0 s PHE 307 Cb 0.18 -4.30 -0.03 0.00 -1.31 0.00 0.00 43.02 37.57 1pn0 s PHE 307 CO 0.55 -1.53 0.27 0.95 1.83 0.00 0.00 175.22 177.30 1pn0 s THR 308 N 2.96 3.94 0.26 0.12 -4.23 -1.26 -5.01 115.64 112.42 1pn0 s THR 308 Ca 0.32 -1.34 -0.02 0.00 -1.18 0.00 0.00 61.69 59.46 1pn0 s THR 308 Cb -0.06 -3.30 0.25 0.00 1.34 0.00 0.00 72.50 70.73 1pn0 s THR 308 CO -0.07 -0.24 1.85 -0.65 -0.54 0.00 0.00 174.62 174.97 1pn0 h PRO 309 N 1.31 0.98 -0.64 3.99 0.11 -1.99 -2.09 132.00 133.66 1pn0 h PRO 309 Ca -0.46 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 65.67 1pn0 h PRO 309 Cb 1.25 -0.22 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 1pn0 h PRO 309 CO 0.59 0.65 0.29 0.93 -0.21 0.00 0.00 178.00 180.24 1pn0 h GLU 310 N 1.01 0.49 -0.34 1.05 3.07 -1.98 0.19 114.58 118.07 1pn0 h GLU 310 Ca 0.43 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1pn0 h GLU 310 Cb 0.30 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1pn0 h GLU 310 CO -0.21 0.33 0.23 0.28 -1.40 0.00 0.00 179.01 178.23 1pn0 h VAL 311 N 0.51 1.08 -0.25 3.13 2.07 -1.75 0.10 116.25 121.13 1pn0 h VAL 311 Ca 0.31 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1pn0 h VAL 311 Cb 0.34 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1pn0 h VAL 311 CO -0.27 0.08 0.13 0.58 0.02 0.00 0.00 177.57 178.12 1pn0 h VAL 312 N 0.46 1.13 -0.89 2.57 2.07 -0.95 -2.66 116.25 117.98 1pn0 h VAL 312 Ca 0.13 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1pn0 h VAL 312 Cb -0.05 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1pn0 h VAL 312 CO -0.03 0.13 0.58 0.40 0.02 0.00 0.00 177.57 178.68 1pn0 h ILE 313 N 0.28 1.23 -0.25 4.57 2.04 -0.48 -1.36 117.51 123.55 1pn0 h ILE 313 Ca 0.09 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1pn0 h ILE 313 Cb 0.10 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 1pn0 h ILE 313 CO -0.01 0.23 0.14 0.00 0.00 0.00 0.00 178.15 178.51 1pn0 h ALA 314 N 1.43 0.31 -0.01 1.87 0.00 -0.65 -1.45 119.26 120.77 1pn0 h ALA 314 Ca 0.33 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1pn0 h ALA 314 Cb -0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pn0 h ALA 314 CO -0.07 -0.25 -0.62 -0.97 0.00 0.00 0.00 179.25 177.34 1pn0 h ASN 315 N 0.30 0.02 -0.27 0.00 -1.24 -1.17 -2.85 115.58 110.36 1pn0 h ASN 315 Ca 0.10 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 1pn0 h ASN 315 Cb -0.00 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1pn0 h ASN 315 CO -0.05 0.64 0.16 0.00 -1.29 0.00 0.00 177.43 176.90 1pn0 h ALA 316 N 1.36 0.35 -0.80 1.57 0.00 -0.82 -0.31 119.26 120.60 1pn0 h ALA 316 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1pn0 h ALA 316 Cb 1.11 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1pn0 h ALA 316 CO 0.08 -0.15 0.53 0.87 0.00 0.00 0.00 179.25 180.58 1pn0 h LYS 317 N 0.34 0.94 -0.28 0.00 1.57 -1.19 0.17 116.57 118.12 1pn0 h LYS 317 Ca 0.10 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1pn0 h LYS 317 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1pn0 h LYS 317 CO -0.02 0.62 -0.40 0.87 -0.57 0.00 0.00 179.45 179.96 1pn0 h LYS 318 N 0.97 0.67 -0.21 3.15 6.56 -1.19 -2.48 116.57 124.04 1pn0 h LYS 318 Ca 0.32 -0.34 -0.16 0.00 -1.06 0.00 0.00 60.65 59.41 1pn0 h LYS 318 Cb 0.07 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 1pn0 h LYS 318 CO -0.10 0.95 -0.54 0.82 -2.06 0.00 0.00 179.45 178.52 1pn0 h ILE 319 N 0.55 1.31 0.00 1.86 2.04 -0.04 -3.11 117.51 120.12 1pn0 h ILE 319 Ca 0.05 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1pn0 h ILE 319 Cb 0.92 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1pn0 h ILE 319 CO 0.08 0.56 0.00 -0.26 0.00 0.00 0.00 178.15 178.53 1pn0 h PHE 320 N 0.47 0.00 -1.63 1.37 0.04 -0.64 -3.44 116.94 113.11 1pn0 h PHE 320 Ca 0.01 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.10 1pn0 h PHE 320 Cb 1.10 0.00 0.07 0.00 2.20 0.00 0.00 35.95 39.32 1pn0 h PHE 320 CO 0.05 0.00 0.21 1.58 -0.60 0.00 0.00 178.31 179.55 1pn0 n HIS 321 N -3.01 1.09 0.14 -0.55 -0.00 -0.94 -0.28 115.22 111.66 1pn0 n HIS 321 Ca 0.02 0.76 0.07 0.00 0.46 0.00 0.00 57.72 59.03 1pn0 n HIS 321 Cb 0.37 -2.23 0.24 0.00 -0.12 0.00 0.00 29.99 28.25 1pn0 n HIS 321 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1pn0 n PRO 322 N 1.84 2.75 -1.91 1.57 -0.04 -1.26 -4.35 135.00 133.60 1pn0 n PRO 322 Ca 0.17 -1.93 -0.32 0.00 -0.04 0.00 0.00 63.50 61.38 1pn0 n PRO 322 Cb 0.20 -1.64 0.02 0.00 -0.04 0.00 0.00 33.50 32.04 1pn0 n PRO 322 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pn0 s TYR 323 N -1.68 2.99 0.41 0.54 2.02 0.61 -5.03 117.35 117.21 1pn0 s TYR 323 Ca 0.35 1.49 -0.09 0.00 -0.37 0.00 0.00 57.07 58.46 1pn0 s TYR 323 Cb 0.22 -2.99 -0.06 0.00 -0.40 0.00 0.00 41.96 38.73 1pn0 s TYR 323 CO 0.18 -1.18 0.75 0.95 -1.57 0.00 0.00 175.55 174.67 1pn0 s THR 324 N -2.59 4.84 -0.19 -0.71 -4.23 -1.26 -4.77 115.64 106.73 1pn0 s THR 324 Ca 0.62 0.45 -0.05 0.00 -1.18 0.00 0.00 61.69 61.53 1pn0 s THR 324 Cb -0.16 -3.76 0.10 0.00 1.34 0.00 0.00 72.50 70.01 1pn0 s THR 324 CO 0.42 -0.58 0.37 0.12 -0.54 0.00 0.00 174.62 174.41 1pn0 s PHE 325 N -2.43 -0.70 0.16 3.99 5.36 -1.26 -3.76 117.98 119.35 1pn0 s PHE 325 Ca 0.49 1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 57.66 1pn0 s PHE 325 Cb -0.10 0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.67 1pn0 s PHE 325 CO 0.34 -0.51 0.05 -0.51 -1.46 0.00 0.00 175.22 173.13 1pn0 s ASP 326 N 2.54 0.63 -0.18 6.13 1.01 -0.07 -4.82 116.67 121.92 1pn0 s ASP 326 Ca 0.03 -1.23 -0.01 0.00 0.71 0.00 0.00 52.55 52.05 1pn0 s ASP 326 Cb -0.13 0.24 0.00 0.00 1.01 0.00 0.00 42.92 44.05 1pn0 s ASP 326 CO -0.12 -0.69 -0.14 -0.69 0.21 0.00 0.00 175.17 173.73 1pn0 s VAL 327 N -3.92 2.64 0.11 -1.27 1.01 -1.26 -0.45 120.40 117.26 1pn0 s VAL 327 Ca 0.27 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1pn0 s VAL 327 Cb 0.07 -2.14 -0.22 0.00 0.00 0.00 0.00 36.38 34.09 1pn0 s VAL 327 CO 0.04 0.50 1.26 1.56 0.00 0.00 0.00 175.10 178.46 1pn0 h GLN 328 N 7.73 0.07 -2.03 2.72 4.20 -0.82 -3.47 115.11 123.52 1pn0 h GLN 328 Ca -0.40 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.15 1pn0 h GLN 328 Cb 1.16 0.05 -0.21 0.00 0.30 0.00 0.00 27.48 28.78 1pn0 h GLN 328 CO 0.60 1.05 0.10 -1.14 -0.67 0.00 0.00 178.83 178.77 1pn0 s GLN 329 N -2.73 0.81 -0.21 1.46 0.74 -1.18 -4.97 119.66 113.58 1pn0 s GLN 329 Ca -0.00 1.00 0.01 0.00 0.05 0.00 0.00 55.36 56.42 1pn0 s GLN 329 Cb 0.09 0.38 0.03 0.00 1.10 0.00 0.00 33.01 34.61 1pn0 s GLN 329 CO 0.84 -0.10 -0.16 -1.17 -0.55 0.00 0.00 175.29 174.14 1pn0 s LEU 330 N 0.49 2.58 -0.03 3.68 2.96 -1.26 -1.25 118.68 125.84 1pn0 s LEU 330 Ca -0.01 -0.85 0.03 0.00 -0.22 0.00 0.00 54.13 53.08 1pn0 s LEU 330 Cb -0.05 -1.52 -0.25 0.00 0.50 0.00 0.00 46.19 44.87 1pn0 s LEU 330 CO -0.01 -0.06 0.70 0.44 -1.32 0.00 0.00 176.35 176.10 1pn0 h ASP 331 N 7.91 0.22 -4.46 3.68 5.19 -1.24 -3.48 116.42 124.24 1pn0 h ASP 331 Ca -0.38 -0.39 0.14 0.00 -0.62 0.00 0.00 57.03 55.78 1pn0 h ASP 331 Cb 1.11 -0.07 -0.17 0.00 0.18 0.00 0.00 39.33 40.38 1pn0 h ASP 331 CO 0.59 1.34 0.59 0.86 -3.12 0.00 0.00 179.24 179.50 1pn0 s TRP 332 N -2.60 -0.29 0.18 4.55 -0.00 -1.22 -4.43 118.94 115.13 1pn0 s TRP 332 Ca -0.10 0.23 -0.17 0.00 -0.00 0.00 0.00 56.10 56.07 1pn0 s TRP 332 Cb 0.07 0.52 0.03 0.00 -0.00 0.00 0.00 33.47 34.09 1pn0 s TRP 332 CO 0.82 -0.43 0.49 -0.59 -0.00 0.00 0.00 176.95 177.24 1pn0 s PHE 333 N -2.66 -0.09 0.07 5.86 -0.71 -1.07 -1.33 117.98 118.04 1pn0 s PHE 333 Ca 0.05 -0.25 -0.02 0.00 -1.04 0.00 0.00 56.93 55.67 1pn0 s PHE 333 Cb -0.01 0.34 0.01 0.00 -1.21 0.00 0.00 43.02 42.15 1pn0 s PHE 333 CO -0.07 -0.88 0.13 -2.37 -1.34 0.00 0.00 175.22 170.70 1pn0 n THR 334 N -0.32 0.00 -3.81 -4.49 5.66 -0.67 -1.64 114.28 109.01 1pn0 n THR 334 Ca -0.11 -0.17 -0.09 0.00 -3.05 0.00 0.00 64.05 60.63 1pn0 n THR 334 Cb 0.63 0.17 -0.06 0.00 -1.55 0.00 0.00 70.33 69.52 1pn0 n THR 334 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pn0 s ALA 335 N -1.20 -0.43 -0.03 1.79 0.00 -1.26 -0.51 121.76 120.11 1pn0 s ALA 335 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 1pn0 s ALA 335 Cb -0.01 0.67 0.10 0.00 0.00 0.00 0.00 23.12 23.89 1pn0 s ALA 335 CO 0.02 -0.61 0.86 1.52 0.00 0.00 0.00 175.76 177.55 1pn0 s TYR 336 N -3.87 -0.42 0.31 0.00 -0.85 -0.25 -4.58 117.35 107.69 1pn0 s TYR 336 Ca 0.08 0.47 -0.02 0.00 -0.52 0.00 0.00 57.07 57.08 1pn0 s TYR 336 Cb 0.03 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1pn0 s TYR 336 CO -0.08 -0.53 0.53 -1.01 -1.52 0.00 0.00 175.55 172.94 1pn0 s HIS 337 N -2.38 3.49 -0.19 -3.49 3.76 -1.26 -0.98 115.29 114.24 1pn0 s HIS 337 Ca 0.00 0.46 -0.22 0.00 -0.15 0.00 0.00 55.06 55.16 1pn0 s HIS 337 Cb -0.01 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 1pn0 s HIS 337 CO -0.04 0.17 0.68 0.42 -0.85 0.00 0.00 174.74 175.12 1pn0 s ILE 338 N -2.17 4.99 0.00 0.60 -1.09 -0.99 -4.89 121.20 117.64 1pn0 s ILE 338 Ca 0.41 1.30 -0.29 0.00 -2.23 0.00 0.00 60.65 59.84 1pn0 s ILE 338 Cb -0.10 -3.99 0.10 0.00 -1.58 0.00 0.00 42.46 36.88 1pn0 s ILE 338 CO 0.33 0.10 0.98 -0.83 -1.23 0.00 0.00 174.94 174.28 1pn0 s GLY 339 N 1.17 -0.38 -0.01 6.18 0.00 -1.26 -0.84 107.32 112.18 1pn0 s GLY 339 Ca 0.31 0.87 0.03 0.00 0.00 0.00 0.00 44.72 45.93 1pn0 s GLY 339 CO 0.11 0.27 -0.09 1.20 0.00 0.00 0.00 173.10 174.59 1pn0 s GLN 340 N -3.01 0.74 -0.06 2.90 1.11 -1.26 -3.68 119.66 116.40 1pn0 s GLN 340 Ca 0.08 -0.32 -0.08 0.00 0.01 0.00 0.00 55.36 55.04 1pn0 s GLN 340 Cb -0.01 -0.71 0.02 0.00 -1.01 0.00 0.00 33.01 31.30 1pn0 s GLN 340 CO -0.05 0.19 0.21 1.03 0.01 0.00 0.00 175.29 176.68 1pn0 s ARG 341 N -0.21 0.33 -0.10 2.91 0.52 -0.29 -3.41 118.95 118.70 1pn0 s ARG 341 Ca 0.03 0.14 -0.17 0.00 -0.52 0.00 0.00 55.73 55.22 1pn0 s ARG 341 Cb -0.04 0.15 0.04 0.00 0.52 0.00 0.00 34.95 35.62 1pn0 s ARG 341 CO -0.00 -0.06 0.42 0.54 0.02 0.00 0.00 175.30 176.22 1pn0 s VAL 342 N -0.26 0.02 0.46 3.52 0.11 -0.86 -0.54 120.40 122.85 1pn0 s VAL 342 Ca -0.04 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1pn0 s VAL 342 Cb -0.03 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1pn0 s VAL 342 CO 0.01 -0.09 0.67 0.42 -3.33 0.00 0.00 175.10 172.78 1pn0 s THR 343 N -0.51 3.76 -0.12 5.04 -4.23 -0.69 -1.27 115.64 117.61 1pn0 s THR 343 Ca -0.06 -0.57 0.17 0.00 -1.18 0.00 0.00 61.69 60.05 1pn0 s THR 343 Cb -0.03 -3.38 -0.19 0.00 1.34 0.00 0.00 72.50 70.23 1pn0 s THR 343 CO 0.03 -0.26 0.62 -0.62 -0.54 0.00 0.00 174.62 173.85 1pn0 n GLU 344 N -2.09 0.64 -5.01 3.99 -0.58 -1.26 -4.92 120.64 111.41 1pn0 n GLU 344 Ca 0.02 0.14 -0.32 0.00 -0.42 0.00 0.00 57.16 56.58 1pn0 n GLU 344 Cb 0.58 -1.72 -0.14 0.00 -0.57 0.00 0.00 31.44 29.59 1pn0 n GLU 344 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1pn0 s LYS 345 N -2.87 2.62 0.00 3.49 1.02 -1.26 -5.00 119.74 117.75 1pn0 s LYS 345 Ca -0.05 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.22 1pn0 s LYS 345 Cb 0.09 -2.33 0.06 0.00 -0.52 0.00 0.00 37.83 35.12 1pn0 s LYS 345 CO 0.83 0.49 0.75 1.19 -0.92 0.00 0.00 175.35 177.68 1pn0 n PHE 346 N 2.69 0.04 -3.66 3.18 3.01 -1.26 -4.94 117.46 116.52 1pn0 n PHE 346 Ca -0.17 -0.10 -0.14 0.00 1.01 0.00 0.00 57.45 58.05 1pn0 n PHE 346 Cb 0.52 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.90 1pn0 n PHE 346 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pn0 s SER 347 N -0.54 -0.58 -0.22 4.37 0.15 -1.26 -1.33 113.70 114.30 1pn0 s SER 347 Ca 0.07 1.00 -0.02 0.00 0.70 0.00 0.00 55.95 57.69 1pn0 s SER 347 Cb 0.04 1.00 0.01 0.00 -1.71 0.00 0.00 66.02 65.36 1pn0 s SER 347 CO 0.07 -0.29 -0.09 -0.75 1.20 0.00 0.00 173.24 173.37 1pn0 s LYS 348 N -0.09 3.14 -1.06 5.44 2.47 0.26 -4.69 119.74 125.22 1pn0 s LYS 348 Ca -0.03 -0.77 0.00 0.00 -1.56 0.00 0.00 55.97 53.61 1pn0 s LYS 348 Cb -0.03 -2.88 0.00 0.00 -1.46 0.00 0.00 37.83 33.45 1pn0 s LYS 348 CO 0.03 -0.25 0.00 -0.25 0.16 0.00 0.00 175.35 175.04 1pn0 n ASP 349 N 4.72 -5.74 -3.51 1.43 8.00 -1.26 -1.02 116.55 119.17 1pn0 n ASP 349 Ca -0.19 0.25 -0.26 0.00 0.71 0.00 0.00 54.79 55.30 1pn0 n ASP 349 Cb 0.50 -4.11 0.01 0.00 -0.02 0.00 0.00 41.12 37.49 1pn0 n ASP 349 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pn0 n GLU 350 N -0.66 -4.02 0.00 -1.24 4.71 -1.26 -4.82 120.64 113.35 1pn0 n GLU 350 Ca -0.10 0.55 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 1pn0 n GLU 350 Cb 0.58 -5.32 0.00 0.00 -1.01 0.00 0.00 31.44 25.70 1pn0 n GLU 350 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1pn0 n ARG 351 N -4.03 0.00 -4.17 3.49 5.12 -0.19 -4.99 116.66 111.90 1pn0 n ARG 351 Ca -0.01 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.57 1pn0 n ARG 351 Cb 0.54 -0.74 -0.14 0.00 -1.16 0.00 0.00 32.46 30.96 1pn0 n ARG 351 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1pn0 s VAL 352 N -1.86 3.13 0.18 1.55 1.01 -0.74 -1.33 120.40 122.34 1pn0 s VAL 352 Ca 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1pn0 s VAL 352 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1pn0 s VAL 352 CO 0.00 0.47 -0.09 -0.36 0.00 0.00 0.00 175.10 175.12 1pn0 s PHE 353 N 1.14 2.64 0.16 5.22 0.08 -0.13 -0.57 117.98 126.52 1pn0 s PHE 353 Ca 0.01 -0.22 0.10 0.00 0.12 0.00 0.00 56.93 56.95 1pn0 s PHE 353 Cb -0.14 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1pn0 s PHE 353 CO -0.02 0.52 -0.23 0.96 -0.10 0.00 0.00 175.22 176.35 1pn0 s ILE 354 N -1.73 2.12 0.10 0.64 -4.36 -0.44 0.63 121.20 118.14 1pn0 s ILE 354 Ca 0.25 -1.89 -0.11 0.00 -0.26 0.00 0.00 60.65 58.64 1pn0 s ILE 354 Cb -0.09 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.68 1pn0 s ILE 354 CO 0.15 -0.12 0.26 0.00 0.24 0.00 0.00 174.94 175.48 1pn0 s ALA 355 N -1.58 -0.47 0.00 2.27 0.00 -0.57 -4.86 121.76 116.55 1pn0 s ALA 355 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1pn0 s ALA 355 Cb -0.08 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1pn0 s ALA 355 CO 0.08 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1pn0 n GLY 356 N -0.09 0.34 0.33 0.00 0.00 -1.26 -3.27 105.19 101.24 1pn0 n GLY 356 Ca -0.15 -0.92 0.17 0.00 0.00 0.00 0.00 46.02 45.12 1pn0 n GLY 356 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pn0 h ASP 357 N 8.65 0.00 -0.14 1.61 5.19 -1.86 0.19 116.42 130.05 1pn0 h ASP 357 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1pn0 h ASP 357 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1pn0 h ASP 357 CO 0.00 0.00 0.13 0.00 -3.12 0.00 0.00 179.24 176.25 1pn0 h ALA 358 N 1.79 1.89 0.00 3.45 0.00 -1.49 -3.01 119.26 121.89 1pn0 h ALA 358 Ca 0.07 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1pn0 h ALA 358 Cb 0.41 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1pn0 h ALA 358 CO -0.00 -0.21 -2.07 0.00 0.00 0.00 0.00 179.25 176.98 1pn0 s HIS 360 N -2.49 -0.69 0.12 0.00 0.00 -0.80 -1.71 115.29 109.72 1pn0 s HIS 360 Ca -0.08 1.43 0.06 0.00 -3.00 0.00 0.00 55.06 53.47 1pn0 s HIS 360 Cb 0.06 0.32 -0.04 0.00 -4.00 0.00 0.00 32.58 28.92 1pn0 s HIS 360 CO 0.67 -0.39 -0.16 0.95 -1.00 0.00 0.00 174.74 174.82 1pn0 s THR 361 N 1.61 1.42 0.11 -5.38 -4.23 0.30 -4.02 115.64 105.44 1pn0 s THR 361 Ca -0.09 -1.66 -0.20 0.00 -1.18 0.00 0.00 61.69 58.56 1pn0 s THR 361 Cb -0.09 -1.51 0.07 0.00 1.34 0.00 0.00 72.50 72.32 1pn0 s THR 361 CO -0.14 -0.33 0.96 0.00 -0.54 0.00 0.00 174.62 174.58 1pn0 n HIS 362 N 0.69 -1.01 -1.66 3.99 1.44 -1.25 -1.14 115.22 116.28 1pn0 n HIS 362 Ca -0.17 -0.98 -0.31 0.00 -2.01 0.00 0.00 57.72 54.26 1pn0 n HIS 362 Cb 0.56 0.47 0.05 0.00 0.12 0.00 0.00 29.99 31.19 1pn0 n HIS 362 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1pn0 s SER 363 N -3.22 5.33 -0.04 4.39 1.04 -1.24 -4.87 113.70 115.08 1pn0 s SER 363 Ca 0.22 1.45 0.10 0.00 0.48 0.00 0.00 55.95 58.20 1pn0 s SER 363 Cb -0.02 -2.31 0.38 0.00 0.10 0.00 0.00 66.02 64.17 1pn0 s SER 363 CO 0.03 -1.45 1.25 -0.81 0.98 0.00 0.00 173.24 173.24 1pn0 n PRO 364 N -3.12 2.30 0.19 4.02 -0.04 -1.26 -4.52 135.00 132.58 1pn0 n PRO 364 Ca 0.07 -1.50 0.15 0.00 -0.04 0.00 0.00 63.50 62.18 1pn0 n PRO 364 Cb 0.55 -1.51 0.77 0.00 -0.04 0.00 0.00 33.50 33.27 1pn0 n PRO 364 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1pn0 h LYS 365 N 2.23 0.00 -0.02 0.54 1.79 -1.99 -1.45 116.57 117.68 1pn0 h LYS 365 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pn0 h LYS 365 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1pn0 h LYS 365 CO 0.09 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.46 1pn0 n ALA 366 N -2.44 2.22 -3.98 3.86 0.00 -1.26 -5.02 120.51 113.89 1pn0 n ALA 366 Ca 0.01 -2.11 -0.41 0.00 0.00 0.00 0.00 53.44 50.93 1pn0 n ALA 366 Cb 0.29 -0.29 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1pn0 n ALA 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn0 n GLY 367 N -1.08 -0.95 0.01 0.00 0.00 -0.55 -4.90 105.19 97.73 1pn0 n GLY 367 Ca 0.12 0.40 0.07 0.00 0.00 0.00 0.00 46.02 46.61 1pn0 n GLY 367 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pn0 n GLN 368 N -4.49 0.56 0.27 1.61 1.13 -1.26 -4.67 117.38 110.52 1pn0 n GLN 368 Ca -0.15 -0.14 -0.14 0.00 -1.94 0.00 0.00 57.00 54.64 1pn0 n GLN 368 Cb 0.59 -1.38 -0.07 0.00 0.11 0.00 0.00 30.24 29.49 1pn0 n GLN 368 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1pn0 h GLY 369 N 2.93 -0.74 0.47 1.08 0.00 -1.90 0.10 103.07 105.01 1pn0 h GLY 369 Ca -0.03 0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.68 1pn0 h GLY 369 CO 0.00 -0.27 0.45 1.98 0.00 0.00 0.00 176.54 178.70 1pn0 h MET 370 N -1.05 0.72 0.23 4.80 1.85 -1.90 0.71 114.93 120.30 1pn0 h MET 370 Ca -0.07 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 58.97 1pn0 h MET 370 Cb 0.62 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.48 1pn0 h MET 370 CO 0.12 0.47 -0.15 -0.91 -0.40 0.00 0.00 176.91 176.04 1pn0 h ASN 371 N 0.74 -0.39 -0.53 1.39 2.35 -1.79 0.26 115.58 117.62 1pn0 h ASN 371 Ca 0.40 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 56.10 1pn0 h ASN 371 Cb 0.41 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1pn0 h ASN 371 CO -0.27 -0.24 0.05 0.74 -1.65 0.00 0.00 177.43 176.06 1pn0 h THR 372 N -0.38 1.25 -0.27 2.81 2.02 -0.47 -0.55 112.91 117.32 1pn0 h THR 372 Ca -0.02 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 1pn0 h THR 372 Cb 0.32 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1pn0 h THR 372 CO 0.01 0.37 0.02 0.28 0.37 0.00 0.00 175.52 176.58 1pn0 h SER 373 N 0.89 0.45 -0.51 4.18 0.02 -0.68 0.21 113.55 118.11 1pn0 h SER 373 Ca 0.17 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1pn0 h SER 373 Cb 0.45 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1pn0 h SER 373 CO 0.02 0.62 0.05 0.24 -1.14 0.00 0.00 176.83 176.62 1pn0 h MET 374 N 0.26 0.92 0.00 3.45 2.07 -0.73 -2.75 114.93 118.15 1pn0 h MET 374 Ca 0.08 -0.25 -0.06 0.00 -2.07 0.00 0.00 59.70 57.40 1pn0 h MET 374 Cb 0.38 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 1pn0 h MET 374 CO 0.01 0.89 -0.30 0.52 1.07 0.00 0.00 176.91 179.10 1pn0 h MET 375 N 0.86 0.00 -0.05 1.72 2.86 -0.67 -0.08 114.93 119.57 1pn0 h MET 375 Ca 0.17 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1pn0 h MET 375 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1pn0 h MET 375 CO 0.02 0.30 0.02 -0.44 1.06 0.00 0.00 176.91 177.87 1pn0 h ASP 376 N 0.00 0.07 1.81 1.22 3.32 -0.29 -1.88 116.42 120.67 1pn0 h ASP 376 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1pn0 h ASP 376 Cb 0.57 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1pn0 h ASP 376 CO 0.04 0.20 0.00 0.71 -1.72 0.00 0.00 179.24 178.47 1pn0 h THR 377 N -0.07 0.00 -0.56 0.35 1.35 -1.35 -1.01 112.91 111.62 1pn0 h THR 377 Ca 0.02 -0.85 -0.09 0.00 -0.55 0.00 0.00 66.41 64.94 1pn0 h THR 377 Cb 0.15 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1pn0 h THR 377 CO -0.00 0.00 0.00 0.22 -0.25 0.00 0.00 175.52 175.49 1pn0 h TYR 378 N 0.00 1.03 0.11 4.73 3.20 -0.92 0.12 116.97 125.25 1pn0 h TYR 378 Ca 0.00 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 1pn0 h TYR 378 Cb 0.91 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1pn0 h TYR 378 CO 0.00 0.92 -0.05 -0.97 -1.64 0.00 0.00 178.16 176.42 1pn0 h ASN 379 N 0.88 -0.13 0.05 -2.11 -0.73 -0.97 -3.31 115.58 109.27 1pn0 h ASN 379 Ca 0.16 -0.34 -0.12 0.00 1.87 0.00 0.00 56.30 57.87 1pn0 h ASN 379 Cb 0.51 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 1pn0 h ASN 379 CO 0.03 0.30 -0.40 0.25 -0.37 0.00 0.00 177.43 177.23 1pn0 h LEU 380 N -0.58 0.47 -0.82 0.34 5.85 -1.18 -3.30 115.31 116.09 1pn0 h LEU 380 Ca -0.02 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1pn0 h LEU 380 Cb 0.46 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1pn0 h LEU 380 CO 0.03 0.83 0.42 1.23 -0.34 0.00 0.00 178.44 180.60 1pn0 h GLY 381 N 1.12 1.25 1.86 3.75 0.00 -0.83 -1.02 103.07 109.21 1pn0 h GLY 381 Ca 0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 1pn0 h GLY 381 CO 0.07 0.57 -0.62 0.11 0.00 0.00 0.00 176.54 176.67 1pn0 h TRP 382 N 1.16 0.18 -0.12 5.60 5.08 -1.66 0.75 115.95 126.95 1pn0 h TRP 382 Ca 0.29 -0.07 -0.04 0.00 1.08 0.00 0.00 58.89 60.14 1pn0 h TRP 382 Cb 0.08 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 26.20 1pn0 h TRP 382 CO 0.01 0.72 -0.09 0.87 -1.28 0.00 0.00 178.44 178.67 1pn0 h LYS 383 N 0.10 0.27 -0.56 0.12 1.57 -1.51 -1.12 116.57 115.44 1pn0 h LYS 383 Ca -0.01 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1pn0 h LYS 383 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1pn0 h LYS 383 CO 0.09 0.65 0.02 1.25 -0.57 0.00 0.00 179.45 180.90 1pn0 h LEU 384 N -0.12 0.95 -0.39 2.94 5.85 -1.17 -1.80 115.31 121.57 1pn0 h LEU 384 Ca 0.02 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1pn0 h LEU 384 Cb 0.60 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1pn0 h LEU 384 CO 0.02 1.01 0.14 1.23 -0.34 0.00 0.00 178.44 180.51 1pn0 h GLY 385 N 0.86 0.50 1.54 3.75 0.00 -0.67 0.11 103.07 109.16 1pn0 h GLY 385 Ca 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1pn0 h GLY 385 CO 0.02 0.03 -0.05 1.41 0.00 0.00 0.00 176.54 177.96 1pn0 h LEU 386 N 0.30 0.54 -0.21 3.11 3.38 -1.08 -1.94 115.31 119.42 1pn0 h LEU 386 Ca 0.18 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1pn0 h LEU 386 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1pn0 h LEU 386 CO -0.18 0.64 -0.10 0.58 0.09 0.00 0.00 178.44 179.48 1pn0 h VAL 387 N 0.53 1.30 0.00 1.22 2.07 -0.77 0.14 116.25 120.75 1pn0 h VAL 387 Ca 0.11 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1pn0 h VAL 387 Cb 0.42 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1pn0 h VAL 387 CO 0.02 0.35 -0.25 -0.07 0.02 0.00 0.00 177.57 177.64 1pn0 h LEU 388 N 0.13 0.00 -1.21 2.57 3.38 -0.65 -1.68 115.31 117.85 1pn0 h LEU 388 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pn0 h LEU 388 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pn0 h LEU 388 CO 0.03 0.25 0.00 0.35 0.09 0.00 0.00 178.44 179.16 1pn0 n THR 389 N -4.13 0.38 -1.28 0.22 -2.24 -0.74 -4.92 114.28 101.57 1pn0 n THR 389 Ca -0.02 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 1pn0 n THR 389 Cb 0.31 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1pn0 n THR 389 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pn0 n GLY 390 N 1.07 1.12 0.06 3.38 0.00 -0.63 -4.90 105.19 105.29 1pn0 n GLY 390 Ca 0.13 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.61 1pn0 n GLY 390 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pn0 n ARG 391 N -2.72 0.65 -4.17 1.61 1.74 0.40 -4.67 116.66 109.49 1pn0 n ARG 391 Ca -0.10 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.82 1pn0 n ARG 391 Cb 0.32 -1.63 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 1pn0 n ARG 391 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pn0 s ALA 392 N -3.20 1.10 0.28 7.54 0.00 -0.68 -0.84 121.76 125.96 1pn0 s ALA 392 Ca -0.06 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 1pn0 s ALA 392 Cb 0.11 0.04 -0.10 0.00 0.00 0.00 0.00 23.12 23.17 1pn0 s ALA 392 CO 0.85 -0.06 1.12 0.15 0.00 0.00 0.00 175.76 177.83 1pn0 s LYS 393 N -2.88 4.61 0.45 0.00 1.02 -0.32 -4.36 119.74 118.26 1pn0 s LYS 393 Ca 0.06 1.85 0.23 0.00 0.02 0.00 0.00 55.97 58.13 1pn0 s LYS 393 Cb -0.02 -3.18 1.23 0.00 -0.52 0.00 0.00 37.83 35.34 1pn0 s LYS 393 CO -0.00 0.17 1.81 -0.09 -0.92 0.00 0.00 175.35 176.31 1pn0 h ARG 394 N 3.80 0.26 -0.22 1.68 2.43 -1.94 -1.42 114.38 118.97 1pn0 h ARG 394 Ca -0.47 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1pn0 h ARG 394 Cb 1.21 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1pn0 h ARG 394 CO 0.67 0.17 0.34 -0.44 -1.51 0.00 0.00 179.97 179.20 1pn0 h ASP 395 N 0.27 0.00 0.28 -3.80 3.32 -1.96 -1.01 116.42 113.53 1pn0 h ASP 395 Ca 0.55 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.59 1pn0 h ASP 395 Cb 1.62 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.17 1pn0 h ASP 395 CO -0.19 0.00 -0.04 0.16 -1.72 0.00 0.00 179.24 177.46 1pn0 h ILE 396 N 0.00 0.27 0.00 0.35 3.07 -1.61 -2.49 117.51 117.09 1pn0 h ILE 396 Ca 0.11 -0.25 -0.01 0.00 1.55 0.00 0.00 64.86 66.25 1pn0 h ILE 396 Cb 0.79 1.19 -0.00 0.00 -0.27 0.00 0.00 36.82 38.53 1pn0 h ILE 396 CO -0.00 0.04 -0.07 -0.07 -1.05 0.00 0.00 178.15 177.00 1pn0 h LEU 397 N 0.00 0.00 -2.33 0.16 3.38 -1.40 -1.64 115.31 113.48 1pn0 h LEU 397 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pn0 h LEU 397 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1pn0 h LEU 397 CO 0.00 0.07 -0.04 0.11 0.09 0.00 0.00 178.44 178.67 1pn0 h LYS 398 N 0.00 0.00 0.00 1.13 1.57 -1.64 -2.32 116.57 115.31 1pn0 h LYS 398 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pn0 h LYS 398 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1pn0 h LYS 398 CO 0.01 0.04 0.00 0.25 -0.57 0.00 0.00 179.45 179.18 1pn0 n THR 399 N -3.65 0.77 0.26 -0.16 -2.24 -0.62 -2.79 114.28 105.85 1pn0 n THR 399 Ca -0.02 0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1pn0 n THR 399 Cb 0.14 -1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 67.27 1pn0 n THR 399 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1pn0 h TYR 400 N 0.00 -0.60 -0.86 4.78 3.20 -1.58 -1.00 116.97 120.90 1pn0 h TYR 400 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1pn0 h TYR 400 Cb 0.43 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1pn0 h TYR 400 CO 0.00 -0.29 0.42 1.49 -1.64 0.00 0.00 178.16 178.15 1pn0 h GLU 401 N -0.87 1.23 -0.33 1.82 4.81 -1.75 0.14 114.58 119.64 1pn0 h GLU 401 Ca -0.07 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1pn0 h GLU 401 Cb 0.58 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1pn0 h GLU 401 CO 0.11 0.94 0.22 0.93 -0.73 0.00 0.00 179.01 180.47 1pn0 h GLU 402 N 1.22 0.29 0.06 1.92 5.08 -1.36 -1.49 114.58 120.30 1pn0 h GLU 402 Ca 0.30 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 58.27 1pn0 h GLU 402 Cb 0.10 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1pn0 h GLU 402 CO -0.04 0.19 -2.10 0.39 -1.00 0.00 0.00 179.01 176.45 1pn0 n GLU 403 N -4.49 0.69 0.04 2.33 1.02 -0.39 -4.51 120.64 115.33 1pn0 n GLU 403 Ca 0.03 0.27 0.02 0.00 -0.02 0.00 0.00 57.16 57.46 1pn0 n GLU 403 Cb 0.18 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 29.89 1pn0 n GLU 403 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pn0 n ARG 404 N -3.60 0.62 -0.05 3.49 5.12 0.45 -3.66 116.66 119.04 1pn0 n ARG 404 Ca -0.38 0.20 -0.15 0.00 -1.93 0.00 0.00 57.85 55.59 1pn0 n ARG 404 Cb 0.97 -1.80 -0.07 0.00 -1.16 0.00 0.00 32.46 30.40 1pn0 n ARG 404 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1pn0 h GLN 405 N 0.00 0.64 -0.09 5.56 -0.00 -1.44 -1.99 115.11 117.79 1pn0 h GLN 405 Ca -0.14 -0.46 -0.04 0.00 -0.00 0.00 0.00 58.65 58.01 1pn0 h GLN 405 Cb 1.50 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 29.05 1pn0 h GLN 405 CO 0.04 1.08 -0.12 -1.35 0.00 0.00 0.00 178.83 178.48 1pn0 h PRO 406 N 0.31 0.13 -0.60 -2.39 0.11 -1.75 -1.20 132.00 126.61 1pn0 h PRO 406 Ca -0.01 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1pn0 h PRO 406 Cb 1.12 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1pn0 h PRO 406 CO 0.11 0.26 -0.03 0.35 -0.21 0.00 0.00 178.00 178.48 1pn0 h PHE 407 N 0.13 1.17 -0.60 0.65 3.57 -1.59 -1.74 116.94 118.53 1pn0 h PHE 407 Ca 0.03 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1pn0 h PHE 407 Cb 0.29 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1pn0 h PHE 407 CO 0.00 1.04 0.35 0.00 -2.23 0.00 0.00 178.31 177.47 1pn0 h ALA 408 N 0.99 0.76 -0.96 2.41 0.00 -0.57 0.40 119.26 122.29 1pn0 h ALA 408 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pn0 h ALA 408 Cb 0.59 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1pn0 h ALA 408 CO 0.04 0.25 0.60 0.37 0.00 0.00 0.00 179.25 180.50 1pn0 h GLN 409 N 0.80 1.29 -0.50 0.00 5.75 -1.01 -0.33 115.11 121.12 1pn0 h GLN 409 Ca 0.21 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.52 1pn0 h GLN 409 Cb 0.00 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.25 1pn0 h GLN 409 CO -0.04 0.89 -0.05 0.00 -2.65 0.00 0.00 178.83 176.98 1pn0 h ALA 410 N 1.33 0.97 -0.17 3.38 0.00 -0.58 0.04 119.26 124.24 1pn0 h ALA 410 Ca 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pn0 h ALA 410 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1pn0 h ALA 410 CO -0.07 0.62 0.06 1.25 0.00 0.00 0.00 179.25 181.11 1pn0 h LEU 411 N 0.80 0.23 -0.87 0.00 5.85 -0.39 -0.50 115.31 120.43 1pn0 h LEU 411 Ca 0.14 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1pn0 h LEU 411 Cb 0.55 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1pn0 h LEU 411 CO 0.03 0.35 0.56 0.40 -0.34 0.00 0.00 178.44 179.44 1pn0 h ILE 412 N 0.11 1.23 -0.53 4.05 5.03 -0.79 0.33 117.51 126.93 1pn0 h ILE 412 Ca 0.06 -0.43 -0.04 0.00 -0.12 0.00 0.00 64.86 64.32 1pn0 h ILE 412 Cb 0.19 -0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 33.92 1pn0 h ILE 412 CO -0.00 0.22 0.16 0.44 -0.68 0.00 0.00 178.15 178.29 1pn0 h ASP 413 N 1.18 0.78 0.18 1.72 3.32 -0.71 0.20 116.42 123.10 1pn0 h ASP 413 Ca 0.32 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1pn0 h ASP 413 Cb -0.12 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.23 1pn0 h ASP 413 CO -0.07 0.79 -0.09 0.15 -1.72 0.00 0.00 179.24 178.31 1pn0 h PHE 414 N 0.74 -0.22 -0.40 4.55 3.57 -0.76 -3.01 116.94 121.41 1pn0 h PHE 414 Ca 0.17 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1pn0 h PHE 414 Cb 0.29 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1pn0 h PHE 414 CO 0.02 -0.11 -0.05 0.22 -2.23 0.00 0.00 178.31 176.16 1pn0 h ASP 415 N -0.28 0.63 -0.41 0.41 3.58 -0.73 -1.81 116.42 117.82 1pn0 h ASP 415 Ca -0.02 -0.15 0.09 0.00 0.42 0.00 0.00 57.03 57.36 1pn0 h ASP 415 Cb 0.22 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.01 1pn0 h ASP 415 CO 0.04 0.73 -0.16 -0.74 -2.88 0.00 0.00 179.24 176.23 1pn0 h HIS 416 N 0.62 -0.39 -0.03 0.28 2.76 -0.47 0.27 115.15 118.19 1pn0 h HIS 416 Ca 0.12 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1pn0 h HIS 416 Cb 0.45 0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1pn0 h HIS 416 CO 0.02 -0.24 -0.05 0.37 -1.30 0.00 0.00 177.93 176.72 1pn0 h GLN 417 N -0.08 0.09 -0.50 5.26 4.15 -1.46 -3.19 115.11 119.37 1pn0 h GLN 417 Ca 0.20 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1pn0 h GLN 417 Cb 0.39 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 1pn0 h GLN 417 CO -0.46 0.63 0.23 0.35 -1.93 0.00 0.00 178.83 177.64 1pn0 h PHE 418 N -0.45 0.74 -0.49 3.99 3.57 -1.10 -0.84 116.94 122.36 1pn0 h PHE 418 Ca 0.00 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1pn0 h PHE 418 Cb 0.63 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1pn0 h PHE 418 CO 0.12 0.60 0.16 0.66 -2.23 0.00 0.00 178.31 177.61 1pn0 h SER 419 N 0.67 0.65 0.04 0.41 4.64 -1.08 -0.53 113.55 118.35 1pn0 h SER 419 Ca 0.17 -0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 61.20 1pn0 h SER 419 Cb 0.15 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1pn0 h SER 419 CO -0.02 0.62 -0.74 0.03 -0.87 0.00 0.00 176.83 175.85 1pn0 h ARG 420 N 0.70 0.62 -0.53 4.77 3.08 -1.41 -1.34 114.38 120.27 1pn0 h ARG 420 Ca 0.16 -0.50 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 1pn0 h ARG 420 Cb 0.20 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1pn0 h ARG 420 CO -0.01 1.12 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.91 1pn0 h LEU 421 N 0.42 0.89 -1.04 3.04 3.38 -0.81 -1.27 115.31 119.92 1pn0 h LEU 421 Ca -0.04 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1pn0 h LEU 421 Cb 1.35 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1pn0 h LEU 421 CO 0.14 0.97 -0.45 0.15 0.09 0.00 0.00 178.44 179.34 1pn0 h PHE 422 N 0.84 0.00 -0.00 1.13 3.04 -0.96 -3.16 116.94 117.82 1pn0 h PHE 422 Ca 0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1pn0 h PHE 422 Cb 0.54 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.05 1pn0 h PHE 422 CO 0.03 0.45 -0.67 0.43 -2.02 0.00 0.00 178.31 176.53 1pn0 n SER 423 N -3.84 0.92 -4.90 0.41 7.64 -0.52 -4.60 113.62 108.73 1pn0 n SER 423 Ca -0.01 -0.76 -0.28 0.00 1.01 0.00 0.00 58.87 58.83 1pn0 n SER 423 Cb 0.50 0.56 0.02 0.00 -1.01 0.00 0.00 64.21 64.27 1pn0 n SER 423 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1pn0 s GLY 424 N -2.89 1.58 0.14 0.23 0.00 -0.52 -4.87 107.32 100.99 1pn0 s GLY 424 Ca 0.12 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.08 1pn0 s GLY 424 CO 0.74 -0.22 1.04 -1.60 0.00 0.00 0.00 173.10 173.06 1pn0 s ARG 425 N -4.97 4.63 0.35 2.90 3.52 -1.26 -4.81 118.95 119.31 1pn0 s ARG 425 Ca 0.52 1.60 -0.28 0.00 -0.13 0.00 0.00 55.73 57.44 1pn0 s ARG 425 Cb -0.11 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 1pn0 s ARG 425 CO 0.48 0.12 1.27 -1.25 -0.81 0.00 0.00 175.30 175.10 1pn0 s PRO 426 N -0.13 4.27 0.39 5.12 0.04 -1.26 -0.15 135.00 143.28 1pn0 s PRO 426 Ca 0.49 2.12 -0.27 0.00 0.04 0.00 0.00 61.00 63.38 1pn0 s PRO 426 Cb -0.27 -2.97 -0.09 0.00 0.04 0.00 0.00 34.50 31.21 1pn0 s PRO 426 CO 0.32 -0.22 1.30 0.00 0.04 0.00 0.00 177.00 178.44 1pn0 s ALA 427 N -1.20 3.32 0.08 8.56 0.00 0.01 -4.58 121.76 127.96 1pn0 s ALA 427 Ca 0.51 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.73 1pn0 s ALA 427 Cb -0.38 -3.49 -0.25 0.00 0.00 0.00 0.00 23.12 19.01 1pn0 s ALA 427 CO 0.49 -0.78 1.14 0.87 0.00 0.00 0.00 175.76 177.48 1pn0 h LYS 428 N 2.84 0.12 0.00 0.00 1.57 -1.91 -3.48 116.57 115.72 1pn0 h LYS 428 Ca -0.49 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.07 1pn0 h LYS 428 Cb 1.24 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1pn0 h LYS 428 CO 0.63 1.05 0.03 -0.40 -0.57 0.00 0.00 179.45 180.20 1pn0 n ASP 429 N -3.40 -0.25 0.17 0.86 5.68 -1.26 -5.01 116.55 113.33 1pn0 n ASP 429 Ca -0.06 -1.18 0.13 0.00 -0.50 0.00 0.00 54.79 53.18 1pn0 n ASP 429 Cb 0.99 0.42 0.52 0.00 -1.14 0.00 0.00 41.12 41.92 1pn0 n ASP 429 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1pn0 h VAL 430 N 1.11 0.00 -0.00 2.12 -1.51 -2.04 -2.67 116.25 113.25 1pn0 h VAL 430 Ca -0.04 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1pn0 h VAL 430 Cb 0.14 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1pn0 h VAL 430 CO 0.05 0.00 -0.36 0.00 -1.23 0.00 0.00 177.57 176.03 1pn0 n ALA 431 N -1.86 3.27 -2.05 5.19 0.00 -1.26 -4.61 120.51 119.19 1pn0 n ALA 431 Ca 0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1pn0 n ALA 431 Cb 0.28 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1pn0 n ALA 431 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pn0 n ASP 432 N -1.10 4.43 -0.31 0.00 -0.08 -1.01 -4.81 116.55 113.67 1pn0 n ASP 432 Ca 0.09 -2.95 0.14 0.00 -1.51 0.00 0.00 54.79 50.56 1pn0 n ASP 432 Cb 0.34 -1.60 0.39 0.00 2.34 0.00 0.00 41.12 42.59 1pn0 n ASP 432 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1pn0 h GLU 433 N 6.05 0.64 -0.05 -0.67 4.11 -1.86 -2.20 114.58 120.59 1pn0 h GLU 433 Ca 0.49 -0.04 -0.18 0.00 0.07 0.00 0.00 59.36 59.70 1pn0 h GLU 433 Cb 0.66 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1pn0 h GLU 433 CO 1.74 0.42 -0.74 0.52 0.07 0.00 0.00 179.01 181.03 1pn0 h MET 434 N 0.66 0.30 -7.32 1.06 2.86 -1.98 -3.46 114.93 107.05 1pn0 h MET 434 Ca 0.51 -0.26 -0.50 0.00 -2.06 0.00 0.00 59.70 57.40 1pn0 h MET 434 Cb 0.93 0.06 0.14 0.00 0.06 0.00 0.00 31.60 32.78 1pn0 h MET 434 CO -0.27 0.91 0.28 0.20 1.06 0.00 0.00 176.91 179.09 1pn0 s GLY 435 N -4.37 1.64 -0.07 8.32 0.00 -0.83 -4.88 107.32 107.13 1pn0 s GLY 435 Ca -0.04 0.10 -0.23 0.00 0.00 0.00 0.00 44.72 44.54 1pn0 s GLY 435 CO 0.83 0.53 0.69 0.14 0.00 0.00 0.00 173.10 175.28 1pn0 s VAL 436 N -2.91 5.05 0.02 1.40 1.01 0.79 -4.50 120.40 121.25 1pn0 s VAL 436 Ca 0.63 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 1pn0 s VAL 436 Cb -0.18 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1pn0 s VAL 436 CO 0.57 0.24 1.33 -0.55 0.00 0.00 0.00 175.10 176.69 1pn0 s SER 437 N 0.81 6.92 0.34 3.32 0.15 -1.26 -0.81 113.70 123.18 1pn0 s SER 437 Ca 0.37 2.07 0.12 0.00 0.70 0.00 0.00 55.95 59.22 1pn0 s SER 437 Cb -0.18 -2.57 0.62 0.00 -1.71 0.00 0.00 66.02 62.19 1pn0 s SER 437 CO 0.17 -0.64 1.76 0.24 1.20 0.00 0.00 173.24 175.97 1pn0 h MET 438 N 7.44 0.00 -0.43 5.44 2.86 -1.96 -0.81 114.93 127.47 1pn0 h MET 438 Ca -0.38 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.19 1pn0 h MET 438 Cb 1.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 1pn0 h MET 438 CO 0.88 0.44 0.02 -0.44 1.06 0.00 0.00 176.91 178.87 1pn0 h ASP 439 N 0.00 0.73 -0.71 1.22 3.32 -2.00 -1.31 116.42 117.67 1pn0 h ASP 439 Ca -0.00 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 1pn0 h ASP 439 Cb 0.80 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1pn0 h ASP 439 CO 0.06 0.85 0.22 0.58 -1.72 0.00 0.00 179.24 179.22 1pn0 h VAL 440 N 0.60 1.26 -0.35 -1.35 2.07 -1.85 -2.25 116.25 114.37 1pn0 h VAL 440 Ca 0.13 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1pn0 h VAL 440 Cb 0.46 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1pn0 h VAL 440 CO 0.02 0.35 0.17 0.15 0.02 0.00 0.00 177.57 178.28 1pn0 h PHE 441 N 1.05 0.51 -0.39 1.57 3.57 -1.00 0.05 116.94 122.31 1pn0 h PHE 441 Ca 0.23 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1pn0 h PHE 441 Cb 0.31 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1pn0 h PHE 441 CO 0.02 0.43 0.19 -0.22 -2.23 0.00 0.00 178.31 176.50 1pn0 h LYS 442 N 0.44 0.38 -0.70 1.11 3.64 -1.08 0.62 116.57 120.98 1pn0 h LYS 442 Ca 0.12 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1pn0 h LYS 442 Cb 0.11 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1pn0 h LYS 442 CO -0.02 0.25 0.26 1.49 -2.27 0.00 0.00 179.45 179.16 1pn0 h GLU 443 N 0.39 1.06 -0.31 1.90 4.57 -1.13 0.16 114.58 121.22 1pn0 h GLU 443 Ca 0.16 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1pn0 h GLU 443 Cb 0.07 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1pn0 h GLU 443 CO -0.12 0.90 -0.04 0.00 -1.18 0.00 0.00 179.01 178.57 1pn0 h ALA 444 N 1.12 1.36 0.00 2.92 0.00 -0.53 0.12 119.26 124.25 1pn0 h ALA 444 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pn0 h ALA 444 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pn0 h ALA 444 CO -0.01 0.44 -0.00 0.35 0.00 0.00 0.00 179.25 180.03 1pn0 h PHE 445 N 0.47 -0.00 -0.18 0.00 3.04 0.09 0.16 116.94 120.52 1pn0 h PHE 445 Ca 0.10 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.06 1pn0 h PHE 445 Cb 0.36 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1pn0 h PHE 445 CO 0.01 0.40 0.09 0.28 -2.02 0.00 0.00 178.31 177.08 1pn0 h VAL 446 N -0.41 1.01 -0.69 1.41 2.07 -0.72 0.11 116.25 119.03 1pn0 h VAL 446 Ca -0.00 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1pn0 h VAL 446 Cb 0.41 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1pn0 h VAL 446 CO 0.00 0.04 0.26 0.50 0.02 0.00 0.00 177.57 178.39 1pn0 h LYS 447 N 0.20 1.03 -0.49 1.57 3.64 -1.01 -2.63 116.57 118.88 1pn0 h LYS 447 Ca 0.07 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1pn0 h LYS 447 Cb 0.01 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1pn0 h LYS 447 CO -0.04 0.87 0.32 0.78 -2.27 0.00 0.00 179.45 179.11 1pn0 h GLY 448 N 0.98 0.69 2.00 5.01 0.00 -0.13 -2.16 103.07 109.46 1pn0 h GLY 448 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1pn0 h GLY 448 CO -0.02 0.26 -0.06 3.43 0.00 0.00 0.00 176.54 180.15 1pn0 h ASN 449 N 0.67 0.00 -0.04 0.19 -0.26 -0.41 0.50 115.58 116.23 1pn0 h ASN 449 Ca 0.18 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 1pn0 h ASN 449 Cb -0.07 -0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1pn0 h ASN 449 CO -0.04 0.06 -0.03 -0.08 -1.06 0.00 0.00 177.43 176.28 1pn0 h GLU 450 N 0.00 0.10 -0.42 0.81 4.81 -1.42 -2.61 114.58 115.85 1pn0 h GLU 450 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1pn0 h GLU 450 Cb 0.10 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1pn0 h GLU 450 CO 0.01 0.52 0.19 0.35 -0.73 0.00 0.00 179.01 179.34 1pn0 h PHE 451 N -0.32 0.62 0.00 0.92 3.57 -1.30 -2.97 116.94 117.46 1pn0 h PHE 451 Ca 0.01 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1pn0 h PHE 451 Cb 0.49 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1pn0 h PHE 451 CO 0.08 0.53 -0.06 0.00 -2.23 0.00 0.00 178.31 176.62 1pn0 h ALA 452 N 1.03 1.65 0.00 2.41 0.00 -0.06 -0.89 119.26 123.40 1pn0 h ALA 452 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pn0 h ALA 452 Cb 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pn0 h ALA 452 CO -0.02 0.08 -0.02 0.66 0.00 0.00 0.00 179.25 179.96 1pn0 h SER 453 N 0.00 0.00 0.00 0.00 4.64 -1.29 -3.45 113.55 113.45 1pn0 h SER 453 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn0 h SER 453 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1pn0 h SER 453 CO 0.01 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1pn0 n GLY 454 N -1.01 0.77 0.38 -0.77 0.00 -0.34 -1.64 105.19 102.58 1pn0 n GLY 454 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1pn0 n GLY 454 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pn0 n THR 455 N -2.17 0.00 0.70 2.61 -2.24 -1.26 -4.26 114.28 107.65 1pn0 n THR 455 Ca 0.00 -0.20 0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1pn0 n THR 455 Cb 0.01 0.83 0.20 0.00 -2.10 0.00 0.00 70.33 69.27 1pn0 n THR 455 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pn0 n ALA 456 N -0.31 2.45 -1.71 6.98 0.00 -1.26 -4.70 120.51 121.95 1pn0 n ALA 456 Ca 0.11 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 52.30 1pn0 n ALA 456 Cb 0.41 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1pn0 n ALA 456 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1pn0 n ILE 457 N 1.31 1.11 -3.69 0.00 5.41 -1.26 -4.99 119.36 117.26 1pn0 n ILE 457 Ca 0.17 -0.28 -0.29 0.00 1.00 0.00 0.00 62.75 63.35 1pn0 n ILE 457 Cb 0.58 -1.72 -0.15 0.00 -0.71 0.00 0.00 39.64 37.63 1pn0 n ILE 457 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1pn0 s ASN 458 N 0.31 3.61 0.27 4.38 3.84 -1.26 -4.20 114.94 121.89 1pn0 s ASN 458 Ca 0.65 -1.33 -0.29 0.00 0.21 0.00 0.00 52.86 52.09 1pn0 s ASN 458 Cb -0.57 -0.67 -0.09 0.00 -0.55 0.00 0.00 41.25 39.37 1pn0 s ASN 458 CO 0.51 -0.39 1.21 -0.31 -2.79 0.00 0.00 177.10 175.33 1pn0 s TYR 459 N 1.80 3.34 0.74 0.43 2.02 0.18 -4.95 117.35 120.90 1pn0 s TYR 459 Ca 0.07 1.49 -0.13 0.00 -0.37 0.00 0.00 57.07 58.13 1pn0 s TYR 459 Cb -0.17 -3.48 0.04 0.00 -0.40 0.00 0.00 41.96 37.95 1pn0 s TYR 459 CO -0.23 -1.26 1.11 -0.51 -1.57 0.00 0.00 175.55 173.09 1pn0 s ASP 460 N -0.40 4.58 0.18 2.29 1.01 -1.26 -4.51 116.67 118.56 1pn0 s ASP 460 Ca 0.49 1.98 -0.32 0.00 0.71 0.00 0.00 52.55 55.40 1pn0 s ASP 460 Cb -0.35 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 40.88 1pn0 s ASP 460 CO 0.43 -1.99 1.17 1.21 0.21 0.00 0.00 175.17 176.20 1pn0 n GLU 461 N -3.06 1.23 -2.25 8.23 2.13 -1.26 -4.86 120.64 120.80 1pn0 n GLU 461 Ca 0.10 0.44 -0.03 0.00 0.66 0.00 0.00 57.16 58.33 1pn0 n GLU 461 Cb 0.52 -1.94 0.01 0.00 0.27 0.00 0.00 31.44 30.31 1pn0 n GLU 461 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1pn0 n ASN 462 N 1.98 -0.86 0.01 4.31 0.23 -0.77 -4.97 115.26 115.19 1pn0 n ASN 462 Ca 0.14 -1.55 0.16 0.00 -0.53 0.00 0.00 54.58 52.81 1pn0 n ASN 462 Cb 0.25 1.43 0.63 0.00 -2.08 0.00 0.00 39.78 40.01 1pn0 n ASN 462 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1pn0 h LEU 463 N 0.00 0.10 -3.11 -4.53 5.85 -1.95 -1.10 115.31 110.58 1pn0 h LEU 463 Ca -0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1pn0 h LEU 463 Cb 0.50 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1pn0 h LEU 463 CO 0.17 0.06 0.00 1.33 -0.34 0.00 0.00 178.44 179.66 1pn0 n VAL 464 N -4.43 1.76 -3.56 1.05 0.24 -1.26 -4.84 118.33 107.30 1pn0 n VAL 464 Ca 0.08 -1.45 -0.28 0.00 -2.04 0.00 0.00 64.34 60.65 1pn0 n VAL 464 Cb 0.47 0.08 -0.16 0.00 -1.47 0.00 0.00 33.84 32.76 1pn0 n VAL 464 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1pn0 s THR 465 N -2.02 -0.08 -0.64 3.34 2.01 -0.41 -4.74 115.64 113.10 1pn0 s THR 465 Ca 0.36 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1pn0 s THR 465 Cb 0.26 -0.85 0.17 0.00 0.01 0.00 0.00 72.50 72.09 1pn0 s THR 465 CO 0.14 -0.58 0.50 -0.62 -0.69 0.00 0.00 174.62 173.36 1pn0 s ASP 466 N 2.12 5.72 -0.04 3.53 -1.08 0.00 -1.85 116.67 125.07 1pn0 s ASP 466 Ca 0.07 -2.59 -0.15 0.00 -0.52 0.00 0.00 52.55 49.35 1pn0 s ASP 466 Cb -0.16 -1.97 -0.31 0.00 -1.46 0.00 0.00 42.92 39.01 1pn0 s ASP 466 CO -0.28 -0.49 0.76 0.11 0.52 0.00 0.00 175.17 175.79 1pn0 h LYS 467 N 7.54 0.39 0.00 4.34 1.57 -1.93 -3.33 116.57 125.16 1pn0 h LYS 467 Ca -0.03 -0.67 -0.03 0.00 -1.87 0.00 0.00 60.65 58.05 1pn0 h LYS 467 Cb 1.00 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 1pn0 h LYS 467 CO 0.75 1.32 -0.15 0.87 -0.57 0.00 0.00 179.45 181.68 1pn0 h LYS 468 N -0.04 0.00 -0.03 3.15 1.57 -1.98 -1.00 116.57 118.25 1pn0 h LYS 468 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1pn0 h LYS 468 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1pn0 h LYS 468 CO 0.18 0.15 -0.01 0.43 -0.57 0.00 0.00 179.45 179.62 1pn0 n SER 469 N -3.82 2.55 -4.89 0.86 7.64 -1.26 -4.97 113.62 109.73 1pn0 n SER 469 Ca -0.02 -1.84 -0.30 0.00 1.01 0.00 0.00 58.87 57.72 1pn0 n SER 469 Cb 0.25 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 1pn0 n SER 469 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pn0 s SER 470 N -2.02 6.50 -0.82 6.43 0.01 -0.38 -4.90 113.70 118.52 1pn0 s SER 470 Ca 0.30 0.94 -0.03 0.00 1.31 0.00 0.00 55.95 58.47 1pn0 s SER 470 Cb 0.20 -2.24 0.20 0.00 0.21 0.00 0.00 66.02 64.40 1pn0 s SER 470 CO 0.32 -0.29 0.69 -0.54 0.41 0.00 0.00 173.24 173.83 1pn0 s LYS 471 N -3.64 3.11 0.49 12.44 1.02 0.55 -4.93 119.74 128.78 1pn0 s LYS 471 Ca 0.48 -3.04 0.20 0.00 0.02 0.00 0.00 55.97 53.62 1pn0 s LYS 471 Cb -0.11 -3.92 1.25 0.00 -0.52 0.00 0.00 37.83 34.53 1pn0 s LYS 471 CO 0.30 -1.24 2.06 0.37 -0.92 0.00 0.00 175.35 175.92 1pn0 h GLN 472 N 6.37 0.00 0.00 1.68 5.75 -1.91 -1.97 115.11 125.03 1pn0 h GLN 472 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1pn0 h GLN 472 Cb 0.86 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1pn0 h GLN 472 CO 0.81 0.12 0.00 -0.85 -2.65 0.00 0.00 178.83 176.27 1pn0 n GLU 473 N -4.12 0.06 0.20 1.69 0.00 -1.26 -1.75 120.64 115.46 1pn0 n GLU 473 Ca -0.02 0.44 0.12 0.00 0.00 0.00 0.00 57.16 57.69 1pn0 n GLU 473 Cb 0.20 -1.65 0.15 0.00 0.00 0.00 0.00 31.44 30.14 1pn0 n GLU 473 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1pn0 h LEU 474 N 0.00 0.00 -6.16 -1.84 3.38 -1.65 -3.38 115.31 105.67 1pn0 h LEU 474 Ca 0.00 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1pn0 h LEU 474 Cb 0.14 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.55 1pn0 h LEU 474 CO 0.00 0.00 -0.90 0.00 0.09 0.00 0.00 178.44 177.63 1pn0 s ALA 475 N -3.23 0.84 0.51 1.53 0.00 -0.72 -4.19 121.76 116.49 1pn0 s ALA 475 Ca 0.06 -2.13 0.15 0.00 0.00 0.00 0.00 51.96 50.04 1pn0 s ALA 475 Cb 0.06 -1.76 1.22 0.00 0.00 0.00 0.00 23.12 22.63 1pn0 s ALA 475 CO 0.69 -2.01 2.13 0.87 0.00 0.00 0.00 175.76 177.44 1pn0 h LYS 476 N 5.56 0.07 -0.27 0.00 1.57 -0.92 -1.23 116.57 121.35 1pn0 h LYS 476 Ca 0.23 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1pn0 h LYS 476 Cb 0.94 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 1pn0 h LYS 476 CO 0.31 0.05 -0.07 0.09 -0.57 0.00 0.00 179.45 179.26 1pn0 n ASN 477 N -4.53 2.83 -3.39 0.86 3.02 -0.38 -4.59 115.26 109.08 1pn0 n ASN 477 Ca -0.02 -3.49 -0.27 0.00 -0.03 0.00 0.00 54.58 50.78 1pn0 n ASN 477 Cb 0.10 -0.58 -0.08 0.00 -0.61 0.00 0.00 39.78 38.61 1pn0 n ASN 477 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pn0 s VAL 479 N -2.34 3.89 0.23 0.00 1.01 -1.26 -4.92 120.40 117.01 1pn0 s VAL 479 Ca 0.39 1.30 -0.32 0.00 0.00 0.00 0.00 61.98 63.35 1pn0 s VAL 479 Cb 0.15 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.57 1pn0 s VAL 479 CO -0.02 0.03 1.54 0.52 0.00 0.00 0.00 175.10 177.17 1pn0 n VAL 480 N 4.40 0.57 0.00 2.92 0.31 -1.26 -1.04 118.33 124.22 1pn0 n VAL 480 Ca 0.11 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1pn0 n VAL 480 Cb 0.45 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1pn0 n VAL 480 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pn0 n GLY 481 N 2.76 0.82 3.86 2.92 0.00 -0.18 -4.80 105.19 110.56 1pn0 n GLY 481 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1pn0 n GLY 481 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pn0 s THR 482 N -2.22 4.08 0.38 2.61 -4.23 -0.21 -0.65 115.64 115.40 1pn0 s THR 482 Ca 0.00 -1.33 -0.27 0.00 -1.18 0.00 0.00 61.69 58.91 1pn0 s THR 482 Cb 0.00 -3.34 -0.09 0.00 1.34 0.00 0.00 72.50 70.41 1pn0 s THR 482 CO 0.00 -0.26 1.28 0.00 -0.54 0.00 0.00 174.62 175.10 1pn0 s ARG 483 N -3.94 4.11 -0.32 3.99 1.04 -1.26 -1.04 118.95 121.53 1pn0 s ARG 483 Ca 0.37 2.12 -0.29 0.00 -1.04 0.00 0.00 55.73 56.90 1pn0 s ARG 483 Cb -0.07 -2.85 -0.00 0.00 -2.04 0.00 0.00 34.95 29.98 1pn0 s ARG 483 CO 0.26 -0.36 1.45 0.12 -0.04 0.00 0.00 175.30 176.73 1pn0 s PHE 484 N -1.24 2.39 0.02 5.89 5.36 0.73 -4.74 117.98 126.39 1pn0 s PHE 484 Ca 0.54 0.71 -0.30 0.00 -0.96 0.00 0.00 56.93 56.92 1pn0 s PHE 484 Cb -0.37 -4.07 -0.04 0.00 -0.34 0.00 0.00 43.02 38.20 1pn0 s PHE 484 CO 0.48 -2.18 1.00 0.21 -1.46 0.00 0.00 175.22 173.27 1pn0 s LYS 485 N 4.64 4.56 0.48 10.12 2.20 -1.26 -4.97 119.74 135.50 1pn0 s LYS 485 Ca 0.63 1.46 -0.24 0.00 -0.36 0.00 0.00 55.97 57.46 1pn0 s LYS 485 Cb -0.18 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.63 1pn0 s LYS 485 CO 0.28 -0.04 1.39 0.45 -0.36 0.00 0.00 175.35 177.07 1pn0 s SER 486 N 0.90 5.74 0.04 1.43 0.15 -1.26 -4.90 113.70 115.80 1pn0 s SER 486 Ca 0.52 2.83 0.01 0.00 0.70 0.00 0.00 55.95 60.01 1pn0 s SER 486 Cb -0.22 -2.65 -0.02 0.00 -1.71 0.00 0.00 66.02 61.42 1pn0 s SER 486 CO 0.28 -1.26 -0.06 -1.10 1.20 0.00 0.00 173.24 172.31 1pn0 s GLN 487 N -2.58 0.48 0.42 5.44 -1.52 -1.26 -4.91 119.66 115.74 1pn0 s GLN 487 Ca 0.64 -0.78 -0.25 0.00 -1.95 0.00 0.00 55.36 53.02 1pn0 s GLN 487 Cb -0.42 -0.12 -0.08 0.00 -0.22 0.00 0.00 33.01 32.17 1pn0 s GLN 487 CO 0.52 0.00 1.30 -2.14 -0.25 0.00 0.00 175.29 174.72 1pn0 s PRO 488 N -1.84 3.89 0.21 2.91 0.02 -1.26 -1.23 135.00 137.70 1pn0 s PRO 488 Ca -0.09 2.14 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 1pn0 s PRO 488 Cb -0.08 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 31.71 1pn0 s PRO 488 CO -0.01 -0.55 0.16 0.14 -0.33 0.00 0.00 177.00 176.41 1pn0 s VAL 489 N -1.28 0.00 -0.27 3.83 -7.23 0.22 -4.69 120.40 110.98 1pn0 s VAL 489 Ca 0.58 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1pn0 s VAL 489 Cb -0.38 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.10 1pn0 s VAL 489 CO 0.48 0.00 0.00 -0.69 -0.31 0.00 0.00 175.10 174.58 1pn0 s VAL 490 N -4.11 3.39 0.16 1.32 1.01 0.66 -1.03 120.40 121.81 1pn0 s VAL 490 Ca 0.38 -0.86 -0.32 0.00 0.00 0.00 0.00 61.98 61.19 1pn0 s VAL 490 Cb 0.06 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 1pn0 s VAL 490 CO 0.13 0.15 1.60 -0.60 0.00 0.00 0.00 175.10 176.38 1pn0 s ARG 491 N 1.41 4.20 0.20 2.72 3.52 0.63 -0.38 118.95 131.24 1pn0 s ARG 491 Ca 0.01 2.40 -0.07 0.00 -0.13 0.00 0.00 55.73 57.94 1pn0 s ARG 491 Cb -0.17 -3.18 0.12 0.00 -1.56 0.00 0.00 34.95 30.16 1pn0 s ARG 491 CO -0.01 -0.64 1.65 1.25 -0.81 0.00 0.00 175.30 176.73 1pn0 h HIS 492 N 6.95 1.07 -0.44 5.12 -0.00 -1.50 0.10 115.15 126.46 1pn0 h HIS 492 Ca -0.43 -0.20 0.08 0.00 -0.00 0.00 0.00 60.37 59.82 1pn0 h HIS 492 Cb 1.20 -0.27 -0.07 0.00 -0.00 0.00 0.00 27.41 28.27 1pn0 h HIS 492 CO 0.66 0.99 0.01 0.66 -0.00 0.00 0.00 177.93 180.25 1pn0 h SER 493 N 0.88 -0.17 0.00 3.26 4.64 -1.83 -3.30 113.55 117.04 1pn0 h SER 493 Ca 0.15 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1pn0 h SER 493 Cb 0.61 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1pn0 h SER 493 CO 0.04 -0.05 0.00 -1.84 -0.87 0.00 0.00 176.83 174.11 1pn0 n GLU 494 N -5.20 2.24 -0.81 4.77 0.00 -1.24 -5.02 120.64 115.38 1pn0 n GLU 494 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 57.16 56.99 1pn0 n GLU 494 Cb 0.23 -0.65 0.00 0.00 0.00 0.00 0.00 31.44 31.02 1pn0 n GLU 494 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pn0 n GLY 495 N 0.38 0.73 3.68 -1.84 0.00 0.35 -5.03 105.19 103.46 1pn0 n GLY 495 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1pn0 n GLY 495 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pn0 s LEU 496 N 0.00 4.30 0.06 0.99 2.96 -1.19 -4.71 118.68 121.10 1pn0 s LEU 496 Ca 0.00 2.11 -0.30 0.00 -0.22 0.00 0.00 54.13 55.72 1pn0 s LEU 496 Cb 0.00 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1pn0 s LEU 496 CO 0.00 -0.78 1.08 0.86 -1.32 0.00 0.00 176.35 176.19 1pn0 s TRP 497 N 2.89 3.58 0.13 5.38 -0.00 -1.26 -0.27 118.94 129.38 1pn0 s TRP 497 Ca 0.65 1.55 -0.20 0.00 -0.00 0.00 0.00 56.10 58.10 1pn0 s TRP 497 Cb -0.31 -3.25 0.05 0.00 -0.00 0.00 0.00 33.47 29.96 1pn0 s TRP 497 CO 0.26 -0.55 0.49 0.00 -0.00 0.00 0.00 176.95 177.15 1pn0 s MET 498 N 0.74 1.14 -0.16 5.86 0.23 -0.20 -4.97 119.30 121.94 1pn0 s MET 498 Ca 0.54 -0.55 -0.29 0.00 -1.03 0.00 0.00 55.69 54.36 1pn0 s MET 498 Cb -0.26 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1pn0 s MET 498 CO 0.30 -0.46 1.12 -1.01 -2.03 0.00 0.00 175.02 172.93 1pn0 s HIS 499 N -3.57 3.22 0.49 3.16 3.76 -1.26 -0.61 115.29 120.48 1pn0 s HIS 499 Ca 0.01 1.33 0.14 0.00 -0.15 0.00 0.00 55.06 56.39 1pn0 s HIS 499 Cb 0.00 -3.34 1.16 0.00 1.11 0.00 0.00 32.58 31.51 1pn0 s HIS 499 CO -0.11 -0.88 2.12 0.35 -0.85 0.00 0.00 174.74 175.37 1pn0 h PHE 500 N 7.58 0.13 -0.29 1.40 3.57 -1.49 -1.12 116.94 126.72 1pn0 h PHE 500 Ca -0.26 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.33 1pn0 h PHE 500 Cb 1.10 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1pn0 h PHE 500 CO 0.75 0.09 0.31 0.78 -2.23 0.00 0.00 178.31 178.01 1pn0 h GLY 501 N 0.15 0.00 2.00 2.40 0.00 -1.91 -0.33 103.07 105.39 1pn0 h GLY 501 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1pn0 h GLY 501 CO -0.01 0.00 -0.16 -0.55 0.00 0.00 0.00 176.54 175.83 1pn0 h ASP 502 N 0.00 0.00 1.44 0.19 5.19 -1.60 -1.69 116.42 119.95 1pn0 h ASP 502 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1pn0 h ASP 502 Cb 0.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1pn0 h ASP 502 CO -0.00 0.16 0.00 -0.09 -3.12 0.00 0.00 179.24 176.18 1pn0 h ARG 503 N 0.00 0.00 -2.42 3.56 9.65 -1.21 -3.37 114.38 120.59 1pn0 h ARG 503 Ca -0.00 0.00 -0.62 0.00 -1.10 0.00 0.00 59.98 58.26 1pn0 h ARG 503 Cb 0.38 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 28.84 1pn0 h ARG 503 CO 0.02 0.00 1.72 1.28 2.80 0.00 0.00 179.97 185.79 1pn0 n LEU 504 N -2.97 7.43 -4.69 3.80 4.77 -0.64 -4.96 117.00 119.74 1pn0 n LEU 504 Ca 0.02 -4.46 -0.44 0.00 -0.03 0.00 0.00 56.01 51.10 1pn0 n LEU 504 Cb 0.40 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1pn0 n LEU 504 CO 0.30 1.94 1.34 0.52 -1.33 0.00 0.00 177.39 180.15 1pn0 n VAL 505 N 1.69 0.16 -2.70 4.08 0.31 -1.26 -4.78 118.33 115.83 1pn0 n VAL 505 Ca 0.58 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 64.46 1pn0 n VAL 505 Cb 0.39 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 1pn0 n VAL 505 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1pn0 s THR 506 N 1.77 4.50 0.00 2.52 2.01 0.43 -4.77 115.64 122.11 1pn0 s THR 506 Ca 0.80 1.49 0.01 0.00 0.31 0.00 0.00 61.69 64.30 1pn0 s THR 506 Cb -0.59 -4.41 0.01 0.00 0.01 0.00 0.00 72.50 67.53 1pn0 s THR 506 CO 0.38 -0.56 0.68 -0.90 -0.69 0.00 0.00 174.62 173.54 1pn0 n ASP 507 N 6.94 -0.05 0.00 3.53 5.68 -1.26 -4.80 116.55 126.59 1pn0 n ASP 507 Ca 0.10 -1.36 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 1pn0 n ASP 507 Cb 0.48 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1pn0 n ASP 507 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pn0 n GLY 508 N 0.02 1.59 3.76 6.12 0.00 -1.26 -4.95 105.19 110.47 1pn0 n GLY 508 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1pn0 n GLY 508 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pn0 s ARG 509 N -0.93 4.73 0.61 1.61 0.52 -1.26 -4.79 118.95 119.43 1pn0 s ARG 509 Ca 0.00 1.38 -0.09 0.00 -0.52 0.00 0.00 55.73 56.50 1pn0 s ARG 509 Cb 0.00 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 1pn0 s ARG 509 CO 0.00 0.46 0.98 -0.06 0.02 0.00 0.00 175.30 176.70 1pn0 s PHE 510 N -1.30 3.47 0.06 -0.53 0.40 -1.09 -3.54 117.98 115.45 1pn0 s PHE 510 Ca 0.43 1.02 0.09 0.00 -0.60 0.00 0.00 56.93 57.87 1pn0 s PHE 510 Cb -0.23 -2.73 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 1pn0 s PHE 510 CO 0.29 -0.76 -0.25 1.03 0.70 0.00 0.00 175.22 176.22 1pn0 s ARG 511 N -5.11 1.65 -0.28 0.44 3.00 0.15 -0.96 118.95 117.84 1pn0 s ARG 511 Ca 0.54 -1.12 -0.04 0.00 0.00 0.00 0.00 55.73 55.12 1pn0 s ARG 511 Cb -0.11 -1.87 0.03 0.00 0.00 0.00 0.00 34.95 33.00 1pn0 s ARG 511 CO 0.50 0.48 0.01 0.42 0.00 0.00 0.00 175.30 176.71 1pn0 s ILE 512 N -0.85 3.30 -0.37 1.52 1.01 -0.58 -0.69 121.20 124.55 1pn0 s ILE 512 Ca 0.11 -1.02 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 1pn0 s ILE 512 Cb -0.10 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1pn0 s ILE 512 CO 0.03 0.06 0.53 -0.63 0.00 0.00 0.00 174.94 174.93 1pn0 s ILE 513 N 1.37 4.99 -0.55 2.92 -1.09 0.11 -1.10 121.20 127.84 1pn0 s ILE 513 Ca -0.01 0.26 -0.19 0.00 -2.23 0.00 0.00 60.65 58.49 1pn0 s ILE 513 Cb -0.18 -4.01 0.08 0.00 -1.58 0.00 0.00 42.46 36.78 1pn0 s ILE 513 CO -0.01 -0.29 0.65 -0.69 -1.23 0.00 0.00 174.94 173.37 1pn0 s VAL 514 N 2.45 4.87 -0.98 2.92 1.01 0.10 -1.19 120.40 129.59 1pn0 s VAL 514 Ca 0.19 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1pn0 s VAL 514 Cb -0.15 -4.39 0.05 0.00 0.00 0.00 0.00 36.38 31.89 1pn0 s VAL 514 CO 0.14 -0.97 1.41 -0.36 0.00 0.00 0.00 175.10 175.33 1pn0 s PHE 515 N 2.58 2.54 -0.77 5.22 0.08 0.41 -1.06 117.98 126.98 1pn0 s PHE 515 Ca 0.12 -0.79 0.20 0.00 0.12 0.00 0.00 56.93 56.59 1pn0 s PHE 515 Cb -0.22 -4.67 0.83 0.00 -0.57 0.00 0.00 43.02 38.39 1pn0 s PHE 515 CO 0.08 -1.93 1.62 0.00 -0.10 0.00 0.00 175.22 174.90 1pn0 n ALA 516 N 8.80 1.76 -0.65 5.36 0.00 -0.83 -1.76 120.51 133.19 1pn0 n ALA 516 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1pn0 n ALA 516 Cb 0.51 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1pn0 n ALA 516 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn0 n GLY 517 N 0.21 0.82 3.57 0.00 0.00 -1.26 -4.17 105.19 104.36 1pn0 n GLY 517 Ca 0.03 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1pn0 n GLY 517 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pn0 s LYS 518 N 0.00 3.92 0.33 1.61 2.20 -0.64 -1.57 119.74 125.59 1pn0 s LYS 518 Ca 0.00 -1.86 0.26 0.00 -0.36 0.00 0.00 55.97 54.01 1pn0 s LYS 518 Cb 0.00 -5.50 1.16 0.00 -1.51 0.00 0.00 37.83 31.98 1pn0 s LYS 518 CO 0.00 -2.24 1.77 0.00 -0.36 0.00 0.00 175.35 174.52 1pn0 h ALA 519 N 7.96 1.00 0.00 3.13 0.00 -1.88 -1.23 119.26 128.24 1pn0 h ALA 519 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1pn0 h ALA 519 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pn0 h ALA 519 CO 1.45 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.95 1pn0 n THR 520 N -2.40 0.64 -2.71 0.00 -2.24 -1.26 -4.37 114.28 101.95 1pn0 n THR 520 Ca 0.01 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1pn0 n THR 520 Cb 0.18 -0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 1pn0 n THR 520 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pn0 s ASP 521 N -4.36 7.30 0.22 3.42 2.15 -0.47 -4.96 116.67 119.97 1pn0 s ASP 521 Ca 0.09 1.59 -0.09 0.00 0.43 0.00 0.00 52.55 54.57 1pn0 s ASP 521 Cb 0.12 -2.56 0.22 0.00 -0.30 0.00 0.00 42.92 40.40 1pn0 s ASP 521 CO 0.53 -0.34 1.86 0.00 -0.17 0.00 0.00 175.17 177.04 1pn0 h ALA 522 N 6.94 1.00 -0.53 3.66 0.00 -1.87 0.73 119.26 129.18 1pn0 h ALA 522 Ca -0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1pn0 h ALA 522 Cb 1.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1pn0 h ALA 522 CO 0.80 0.27 0.22 1.15 0.00 0.00 0.00 179.25 181.68 1pn0 h THR 523 N 0.93 1.22 -0.49 0.00 2.02 -1.95 -0.89 112.91 113.74 1pn0 h THR 523 Ca 0.31 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 1pn0 h THR 523 Cb 0.03 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1pn0 h THR 523 CO -0.12 0.26 -0.04 -0.61 0.37 0.00 0.00 175.52 175.37 1pn0 h GLN 524 N 0.72 0.90 -0.29 6.66 5.75 -1.69 -2.57 115.11 124.59 1pn0 h GLN 524 Ca 0.18 -0.31 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 1pn0 h GLN 524 Cb 0.19 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1pn0 h GLN 524 CO -0.02 0.95 -0.03 1.98 -2.65 0.00 0.00 178.83 179.07 1pn0 h MET 525 N 0.76 0.44 -0.89 1.69 4.05 -0.71 -1.09 114.93 119.17 1pn0 h MET 525 Ca 0.13 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1pn0 h MET 525 Cb 0.58 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 1pn0 h MET 525 CO 0.03 0.49 0.57 0.77 0.23 0.00 0.00 176.91 179.01 1pn0 h SER 526 N 0.43 1.04 -0.18 1.39 0.02 -0.80 0.12 113.55 115.57 1pn0 h SER 526 Ca 0.09 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1pn0 h SER 526 Cb 0.32 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1pn0 h SER 526 CO 0.01 0.77 -0.31 0.03 -1.14 0.00 0.00 176.83 176.19 1pn0 h ARG 527 N 1.22 0.68 -0.56 3.45 3.08 -0.89 -1.96 114.38 119.41 1pn0 h ARG 527 Ca 0.32 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1pn0 h ARG 527 Cb -0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1pn0 h ARG 527 CO -0.07 0.91 0.16 0.82 -1.07 0.00 0.00 179.97 180.72 1pn0 h ILE 528 N 0.58 1.24 -0.64 2.04 2.04 -0.50 -1.94 117.51 120.34 1pn0 h ILE 528 Ca 0.07 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1pn0 h ILE 528 Cb 0.82 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1pn0 h ILE 528 CO 0.07 0.31 0.11 0.11 0.00 0.00 0.00 178.15 178.75 1pn0 h LYS 529 N 0.79 1.04 -0.45 2.37 1.57 -0.68 -0.90 116.57 120.31 1pn0 h LYS 529 Ca 0.18 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1pn0 h LYS 529 Cb 0.30 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1pn0 h LYS 529 CO -0.00 0.95 0.00 0.87 -0.57 0.00 0.00 179.45 180.70 1pn0 h LYS 530 N 0.98 0.73 -0.35 3.15 1.57 -1.20 -0.05 116.57 121.40 1pn0 h LYS 530 Ca 0.20 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1pn0 h LYS 530 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1pn0 h LYS 530 CO 0.01 0.75 -0.29 0.35 -0.57 0.00 0.00 179.45 179.69 1pn0 h PHE 531 N 0.69 0.96 -0.30 -1.35 3.57 -0.92 -1.21 116.94 118.39 1pn0 h PHE 531 Ca 0.14 -0.28 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 1pn0 h PHE 531 Cb 0.42 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1pn0 h PHE 531 CO 0.02 1.05 -0.05 0.00 -2.23 0.00 0.00 178.31 177.11 1pn0 h ALA 532 N 0.75 1.36 -0.39 2.41 0.00 -0.85 0.10 119.26 122.64 1pn0 h ALA 532 Ca 0.06 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1pn0 h ALA 532 Cb 0.87 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1pn0 h ALA 532 CO 0.08 0.44 -0.12 0.00 0.00 0.00 0.00 179.25 179.64 1pn0 h ALA 533 N 1.51 1.05 0.06 0.00 0.00 -0.59 -0.35 119.26 120.94 1pn0 h ALA 533 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1pn0 h ALA 533 Cb 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1pn0 h ALA 533 CO 0.02 0.58 -0.03 -0.92 0.00 0.00 0.00 179.25 178.90 1pn0 h TYR 534 N 0.64 -0.07 -1.01 0.00 3.20 -0.02 -1.83 116.97 117.88 1pn0 h TYR 534 Ca 0.11 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.13 1pn0 h TYR 534 Cb 0.58 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.77 1pn0 h TYR 534 CO 0.03 0.06 0.62 -0.07 -1.64 0.00 0.00 178.16 177.16 1pn0 h LEU 535 N -0.19 0.87 -0.11 2.82 3.38 -0.27 -1.11 115.31 120.70 1pn0 h LEU 535 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pn0 h LEU 535 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1pn0 h LEU 535 CO 0.01 0.40 0.00 0.47 0.09 0.00 0.00 178.44 179.41 1pn0 n ASP 536 N -4.68 0.80 -4.75 -0.43 8.00 -0.21 -4.35 116.55 110.93 1pn0 n ASP 536 Ca 0.21 0.59 -0.35 0.00 0.71 0.00 0.00 54.79 55.95 1pn0 n ASP 536 Cb 0.45 -0.80 0.06 0.00 -0.02 0.00 0.00 41.12 40.81 1pn0 n ASP 536 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1pn0 s SER 537 N -4.50 4.86 0.34 -2.24 1.04 -0.42 -0.65 113.70 112.13 1pn0 s SER 537 Ca 0.10 2.30 0.12 0.00 0.48 0.00 0.00 55.95 58.94 1pn0 s SER 537 Cb 0.12 -2.59 0.93 0.00 0.10 0.00 0.00 66.02 64.58 1pn0 s SER 537 CO 0.57 -1.81 1.75 -0.08 0.98 0.00 0.00 173.24 174.65 1pn0 h GLU 538 N 0.34 0.54 -0.31 4.02 4.57 -1.87 -2.63 114.58 119.24 1pn0 h GLU 538 Ca -0.49 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1pn0 h GLU 538 Cb 1.29 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1pn0 h GLU 538 CO 0.53 0.36 0.00 0.09 -1.18 0.00 0.00 179.01 178.81 1pn0 n ASN 539 N -4.77 3.90 -4.72 1.04 3.02 -1.26 -4.20 115.26 108.27 1pn0 n ASN 539 Ca 0.26 -2.83 -0.29 0.00 -0.03 0.00 0.00 54.58 51.69 1pn0 n ASN 539 Cb 0.75 -0.51 0.15 0.00 -0.61 0.00 0.00 39.78 39.56 1pn0 n ASN 539 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pn0 s SER 540 N -1.66 3.14 0.46 6.41 1.04 -0.99 -4.74 113.70 117.36 1pn0 s SER 540 Ca 0.40 1.22 0.18 0.00 0.48 0.00 0.00 55.95 58.23 1pn0 s SER 540 Cb 0.31 -1.88 1.09 0.00 0.10 0.00 0.00 66.02 65.65 1pn0 s SER 540 CO 0.11 -2.81 2.00 -0.37 0.98 0.00 0.00 173.24 173.15 1pn0 h VAL 541 N -1.67 1.00 -0.09 5.02 -1.51 -1.89 -0.26 116.25 116.84 1pn0 h VAL 541 Ca -0.52 -0.68 -0.03 0.00 -1.23 0.00 0.00 66.70 64.25 1pn0 h VAL 541 Cb 1.31 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1pn0 h VAL 541 CO 0.58 0.18 -0.05 0.40 -1.23 0.00 0.00 177.57 177.45 1pn0 h ILE 542 N 0.00 1.33 0.00 7.19 1.08 -1.91 -1.84 117.51 123.36 1pn0 h ILE 542 Ca -0.00 -1.10 -0.09 0.00 -0.39 0.00 0.00 64.86 63.28 1pn0 h ILE 542 Cb 0.36 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 1pn0 h ILE 542 CO 0.02 0.31 -0.43 0.28 -0.69 0.00 0.00 178.15 177.64 1pn0 h SER 543 N -0.17 0.00 0.39 1.72 0.02 -1.63 -2.27 113.55 111.61 1pn0 h SER 543 Ca 0.02 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.66 1pn0 h SER 543 Cb 0.51 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1pn0 h SER 543 CO 0.02 0.43 -1.75 -0.09 -1.14 0.00 0.00 176.83 174.29 1pn0 h ARG 544 N 0.00 0.10 -0.02 3.45 2.43 -1.08 -0.47 114.38 118.79 1pn0 h ARG 544 Ca -0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1pn0 h ARG 544 Cb 0.90 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1pn0 h ARG 544 CO 0.06 0.78 -0.10 0.66 -1.51 0.00 0.00 179.97 179.86 1pn0 n TYR 545 N -3.22 0.00 -3.29 2.20 4.01 -0.69 -4.22 117.16 111.94 1pn0 n TYR 545 Ca -0.21 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.14 1pn0 n TYR 545 Cb 1.05 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 40.01 1pn0 n TYR 545 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1pn0 s THR 546 N -1.61 5.14 0.52 -0.72 2.01 -0.86 -4.78 115.64 115.34 1pn0 s THR 546 Ca 0.19 0.88 -0.22 0.00 0.31 0.00 0.00 61.69 62.84 1pn0 s THR 546 Cb 0.14 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 1pn0 s THR 546 CO 0.28 0.20 1.31 -2.84 -0.69 0.00 0.00 174.62 172.88 1pn0 s PRO 547 N 1.50 3.30 0.18 4.92 0.02 -1.26 -0.36 135.00 143.30 1pn0 s PRO 547 Ca 0.23 2.12 -0.33 0.00 0.02 0.00 0.00 61.00 63.04 1pn0 s PRO 547 Cb -0.15 -2.30 -0.15 0.00 0.02 0.00 0.00 34.50 31.92 1pn0 s PRO 547 CO 0.09 -1.02 1.31 1.17 -0.33 0.00 0.00 177.00 178.22 1pn0 n LYS 548 N -0.88 1.53 0.00 5.54 4.81 0.44 -1.45 118.16 128.15 1pn0 n LYS 548 Ca 0.09 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1pn0 n LYS 548 Cb 0.46 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.36 1pn0 n LYS 548 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pn0 n GLY 549 N 2.29 2.07 3.91 3.14 0.00 -1.26 -4.92 105.19 110.43 1pn0 n GLY 549 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1pn0 n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn0 s ALA 550 N -2.41 3.67 0.25 4.61 0.00 -0.53 -5.04 121.76 122.32 1pn0 s ALA 550 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 1pn0 s ALA 550 Cb 0.00 -2.21 -0.12 0.00 0.00 0.00 0.00 23.12 20.79 1pn0 s ALA 550 CO 0.00 0.23 1.66 0.34 0.00 0.00 0.00 175.76 177.99 1pn0 s ASP 551 N -3.32 6.37 0.00 0.00 -1.08 -1.26 -4.86 116.67 112.52 1pn0 s ASP 551 Ca 0.42 2.91 0.17 0.00 -0.52 0.00 0.00 52.55 55.53 1pn0 s ASP 551 Cb -0.11 -2.62 1.00 0.00 -1.46 0.00 0.00 42.92 39.73 1pn0 s ASP 551 CO 0.31 -0.95 1.42 0.54 0.52 0.00 0.00 175.17 177.02 1pn0 n ARG 552 N 3.06 0.50 -0.22 4.34 1.74 -1.26 -1.32 116.66 123.51 1pn0 n ARG 552 Ca 0.12 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.28 1pn0 n ARG 552 Cb 0.36 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.46 1pn0 n ARG 552 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pn0 n ASN 553 N -1.02 2.99 -0.01 0.55 3.02 -1.26 -4.64 115.26 114.89 1pn0 n ASN 553 Ca 0.12 -2.54 0.12 0.00 -0.03 0.00 0.00 54.58 52.25 1pn0 n ASN 553 Cb 0.06 -0.33 0.25 0.00 -0.61 0.00 0.00 39.78 39.16 1pn0 n ASN 553 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pn0 n SER 554 N -0.35 0.53 -0.01 6.41 3.41 -0.43 -4.08 113.62 119.10 1pn0 n SER 554 Ca 0.14 -0.29 -0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1pn0 n SER 554 Cb 0.59 0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1pn0 n SER 554 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pn0 n ARG 555 N -1.45 0.02 -4.42 4.33 5.12 -1.26 -4.83 116.66 114.17 1pn0 n ARG 555 Ca 0.06 0.01 -0.31 0.00 -1.93 0.00 0.00 57.85 55.68 1pn0 n ARG 555 Cb 0.34 -0.62 -0.16 0.00 -1.16 0.00 0.00 32.46 30.85 1pn0 n ARG 555 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1pn0 s ILE 556 N -2.02 1.81 -0.40 0.55 1.01 -1.26 -2.66 121.20 118.23 1pn0 s ILE 556 Ca -0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 1pn0 s ILE 556 Cb 0.01 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1pn0 s ILE 556 CO 0.02 0.50 0.27 -0.62 0.00 0.00 0.00 174.94 175.11 1pn0 s ASP 557 N 1.05 5.98 -0.37 3.58 2.15 -0.14 -4.20 116.67 124.72 1pn0 s ASP 557 Ca -0.03 -0.94 -0.14 0.00 0.43 0.00 0.00 52.55 51.87 1pn0 s ASP 557 Cb -0.15 -2.11 -0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1pn0 s ASP 557 CO -0.05 -0.43 0.27 -0.69 -0.17 0.00 0.00 175.17 174.10 1pn0 s VAL 558 N 1.63 5.27 -0.03 1.11 1.01 -1.26 -1.52 120.40 126.62 1pn0 s VAL 558 Ca 0.04 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1pn0 s VAL 558 Cb -0.19 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1pn0 s VAL 558 CO 0.09 -0.13 -0.20 -0.63 0.00 0.00 0.00 175.10 174.22 1pn0 s ILE 559 N 1.73 1.63 -0.14 2.22 1.01 -0.26 -4.94 121.20 122.44 1pn0 s ILE 559 Ca 0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1pn0 s ILE 559 Cb -0.18 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1pn0 s ILE 559 CO 0.10 0.46 -0.12 -0.89 0.00 0.00 0.00 174.94 174.50 1pn0 s THR 560 N -0.33 3.11 -0.20 2.92 2.01 0.25 0.02 115.64 123.42 1pn0 s THR 560 Ca 0.04 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1pn0 s THR 560 Cb -0.09 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.14 1pn0 s THR 560 CO 0.00 0.51 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.72 1pn0 s ILE 561 N 0.47 1.63 0.41 1.82 1.01 -0.22 -1.11 121.20 125.22 1pn0 s ILE 561 Ca -0.09 -1.04 0.08 0.00 0.00 0.00 0.00 60.65 59.61 1pn0 s ILE 561 Cb -0.16 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 1pn0 s ILE 561 CO 0.04 0.14 0.42 -1.38 0.00 0.00 0.00 174.94 174.16 1pn0 s HIS 562 N 1.39 2.75 -0.47 3.97 -3.43 -0.09 -1.96 115.29 117.45 1pn0 s HIS 562 Ca -0.02 -0.45 0.16 0.00 -0.80 0.00 0.00 55.06 53.94 1pn0 s HIS 562 Cb -0.17 -2.19 0.61 0.00 -1.43 0.00 0.00 32.58 29.40 1pn0 s HIS 562 CO -0.08 -0.17 1.52 -1.13 -2.00 0.00 0.00 174.74 172.88 1pn0 n SER 563 N -1.61 4.37 -4.98 7.38 3.41 -0.61 -0.92 113.62 120.66 1pn0 n SER 563 Ca 0.04 -2.76 -0.20 0.00 -0.26 0.00 0.00 58.87 55.69 1pn0 n SER 563 Cb 0.61 -0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1pn0 n SER 563 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pn0 s HIS 565 N -2.08 3.79 -0.48 0.00 2.46 -1.26 -4.39 115.29 113.33 1pn0 s HIS 565 Ca 0.39 1.80 0.20 0.00 0.47 0.00 0.00 55.06 57.92 1pn0 s HIS 565 Cb -0.09 -2.92 0.93 0.00 -0.13 0.00 0.00 32.58 30.37 1pn0 s HIS 565 CO 0.30 0.31 1.60 2.89 -2.47 0.00 0.00 174.74 177.38 1pn0 n ARG 566 N 0.91 0.14 0.12 2.88 1.85 -1.26 -0.77 116.66 120.53 1pn0 n ARG 566 Ca 0.00 0.49 0.13 0.00 -1.00 0.00 0.00 57.85 57.47 1pn0 n ARG 566 Cb 0.49 -1.83 0.44 0.00 -1.05 0.00 0.00 32.46 30.50 1pn0 n ARG 566 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1pn0 n ASP 567 N -2.11 0.80 -0.16 2.89 9.92 -1.26 -3.86 116.55 122.77 1pn0 n ASP 567 Ca 0.01 0.62 0.09 0.00 -0.53 0.00 0.00 54.79 54.97 1pn0 n ASP 567 Cb 0.13 -0.82 -0.07 0.00 -0.64 0.00 0.00 41.12 39.73 1pn0 n ASP 567 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1pn0 n ASP 568 N -2.29 1.23 -3.54 -2.24 8.00 0.05 -4.98 116.55 112.78 1pn0 n ASP 568 Ca 0.04 -1.12 -0.17 0.00 0.71 0.00 0.00 54.79 54.25 1pn0 n ASP 568 Cb 0.36 0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 42.21 1pn0 n ASP 568 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1pn0 s ILE 569 N -2.56 0.01 0.26 0.53 2.07 -1.23 -4.96 121.20 115.31 1pn0 s ILE 569 Ca 0.10 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.37 1pn0 s ILE 569 Cb 0.15 -0.96 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 1pn0 s ILE 569 CO 0.66 -0.03 0.21 -1.61 -1.91 0.00 0.00 174.94 172.26 1pn0 s GLU 570 N -1.25 2.90 0.26 3.50 0.41 -1.26 -4.71 118.70 118.55 1pn0 s GLU 570 Ca -0.11 -1.08 -0.03 0.00 -0.41 0.00 0.00 54.97 53.34 1pn0 s GLU 570 Cb -0.01 -2.55 0.41 0.00 -1.78 0.00 0.00 34.13 30.20 1pn0 s GLU 570 CO 0.09 0.37 1.88 0.52 -0.49 0.00 0.00 175.26 177.63 1pn0 h MET 571 N 1.47 1.12 0.00 1.61 2.86 -1.94 -1.36 114.93 118.68 1pn0 h MET 571 Ca -0.48 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1pn0 h MET 571 Cb 1.24 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1pn0 h MET 571 CO 0.60 0.74 0.00 -2.39 1.06 0.00 0.00 176.91 176.93 1pn0 n HIS 572 N -4.52 0.00 0.99 -0.22 1.44 -1.26 -1.77 115.22 109.88 1pn0 n HIS 572 Ca 0.15 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.00 1pn0 n HIS 572 Cb 0.19 -0.13 0.53 0.00 0.12 0.00 0.00 29.99 30.70 1pn0 n HIS 572 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1pn0 n ASP 573 N -1.13 0.13 -4.89 4.39 8.00 -0.51 -4.83 116.55 117.71 1pn0 n ASP 573 Ca 0.11 0.33 -0.31 0.00 0.71 0.00 0.00 54.79 55.64 1pn0 n ASP 573 Cb 0.10 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 1pn0 n ASP 573 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pn0 s PHE 574 N -3.00 3.45 0.03 1.24 0.40 -0.73 -5.02 117.98 114.35 1pn0 s PHE 574 Ca 0.13 0.72 -0.37 0.00 -0.60 0.00 0.00 56.93 56.81 1pn0 s PHE 574 Cb 0.18 -2.14 -0.16 0.00 0.51 0.00 0.00 43.02 41.41 1pn0 s PHE 574 CO 0.57 0.31 1.42 -2.30 0.70 0.00 0.00 175.22 175.92 1pn0 n PRO 575 N -0.21 1.22 -4.50 0.24 -0.02 -1.26 -4.69 135.00 125.78 1pn0 n PRO 575 Ca -0.01 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.69 1pn0 n PRO 575 Cb 0.52 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.75 1pn0 n PRO 575 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pn0 s ALA 576 N 1.01 1.06 -1.77 3.55 0.00 -1.26 -0.83 121.76 123.51 1pn0 s ALA 576 Ca 0.86 -0.40 0.12 0.00 0.00 0.00 0.00 51.96 52.54 1pn0 s ALA 576 Cb -0.95 -0.41 0.38 0.00 0.00 0.00 0.00 23.12 22.13 1pn0 s ALA 576 CO 0.49 0.15 1.29 -0.35 0.00 0.00 0.00 175.76 177.34 1pn0 n PRO 577 N 3.41 2.15 -0.17 0.00 -0.04 -1.26 -4.27 135.00 134.82 1pn0 n PRO 577 Ca -0.20 -1.52 -0.05 0.00 -0.04 0.00 0.00 63.50 61.69 1pn0 n PRO 577 Cb 0.53 -1.42 0.05 0.00 -0.04 0.00 0.00 33.50 32.62 1pn0 n PRO 577 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pn0 h ALA 578 N 3.65 0.66 0.00 0.55 0.00 -1.92 -3.24 119.26 118.97 1pn0 h ALA 578 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1pn0 h ALA 578 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1pn0 h ALA 578 CO 0.04 -0.03 -1.46 1.28 0.00 0.00 0.00 179.25 179.08 1pn0 n LEU 579 N -4.83 0.00 -3.91 0.00 4.77 -0.01 -4.82 117.00 108.19 1pn0 n LEU 579 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 1pn0 n LEU 579 Cb 0.11 0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.12 1pn0 n LEU 579 CO 0.31 0.06 -0.12 -2.28 -1.33 0.00 0.00 177.39 174.02 1pn0 s HIS 580 N -2.52 3.28 0.69 -1.77 2.46 -0.51 -4.68 115.29 112.25 1pn0 s HIS 580 Ca -0.04 -3.21 -0.14 0.00 0.47 0.00 0.00 55.06 52.14 1pn0 s HIS 580 Cb 0.05 -2.72 0.02 0.00 -0.13 0.00 0.00 32.58 29.80 1pn0 s HIS 580 CO 0.37 -0.66 1.13 -2.14 -2.47 0.00 0.00 174.74 170.96 1pn0 s PRO 581 N -0.75 2.58 -0.03 2.88 0.02 -1.22 -4.20 135.00 134.28 1pn0 s PRO 581 Ca 0.20 1.44 -0.30 0.00 0.02 0.00 0.00 61.00 62.37 1pn0 s PRO 581 Cb -0.17 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.37 1pn0 s PRO 581 CO -0.07 -1.43 1.82 0.21 -0.33 0.00 0.00 177.00 177.19 1pn0 s LYS 582 N -4.15 4.10 -1.29 5.54 2.20 -1.26 -2.30 119.74 122.58 1pn0 s LYS 582 Ca 0.68 2.35 -0.02 0.00 -0.36 0.00 0.00 55.97 58.62 1pn0 s LYS 582 Cb -0.22 -4.08 0.01 0.00 -1.51 0.00 0.00 37.83 32.03 1pn0 s LYS 582 CO 0.44 -0.97 0.15 0.91 -0.36 0.00 0.00 175.35 175.52 1pn0 n TRP 583 N 7.56 -1.46 -4.61 4.03 8.01 -1.26 -4.98 117.44 124.73 1pn0 n TRP 583 Ca 0.19 0.13 -0.25 0.00 -1.31 0.00 0.00 57.50 56.27 1pn0 n TRP 583 Cb 0.42 -3.24 -0.14 0.00 -2.01 0.00 0.00 31.31 26.34 1pn0 n TRP 583 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1pn0 s GLN 584 N -5.26 1.33 -0.06 -0.99 -0.21 -0.97 -5.07 119.66 108.43 1pn0 s GLN 584 Ca 0.10 -0.90 0.09 0.00 0.02 0.00 0.00 55.36 54.67 1pn0 s GLN 584 Cb -0.05 -1.42 0.15 0.00 1.00 0.00 0.00 33.01 32.69 1pn0 s GLN 584 CO 0.12 0.36 1.07 0.66 -2.12 0.00 0.00 175.29 175.38 1pn0 n TYR 585 N 1.89 0.00 -2.14 0.91 4.01 -1.26 -4.55 117.16 116.02 1pn0 n TYR 585 Ca -0.17 -0.45 -0.30 0.00 -0.16 0.00 0.00 57.90 56.81 1pn0 n TYR 585 Cb 0.54 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.49 1pn0 n TYR 585 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1pn0 n ASP 586 N -0.54 5.72 0.00 7.72 8.00 -1.26 -4.64 116.55 131.55 1pn0 n ASP 586 Ca 0.07 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.81 1pn0 n ASP 586 Cb 0.70 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1pn0 n ASP 586 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1pn0 n PHE 587 N -0.58 0.00 -4.28 1.24 3.72 -1.26 -5.00 117.46 111.29 1pn0 n PHE 587 Ca 0.46 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.53 1pn0 n PHE 587 Cb 0.62 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.01 1pn0 n PHE 587 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1pn0 s ILE 588 N -1.14 2.45 0.13 4.37 1.01 -1.26 -0.58 121.20 126.19 1pn0 s ILE 588 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.88 1pn0 s ILE 588 Cb 0.00 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1pn0 s ILE 588 CO 0.00 0.51 -0.12 -0.31 0.00 0.00 0.00 174.94 175.02 1pn0 s TYR 589 N 1.12 1.30 0.00 3.97 1.51 -0.26 -1.22 117.35 123.77 1pn0 s TYR 589 Ca 0.00 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.48 1pn0 s TYR 589 Cb -0.14 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1pn0 s TYR 589 CO -0.06 0.11 -0.16 0.00 -1.11 0.00 0.00 175.55 174.33 1pn0 s ALA 590 N -2.59 1.34 -0.93 3.71 0.00 0.48 -0.91 121.76 122.86 1pn0 s ALA 590 Ca 0.11 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 1pn0 s ALA 590 Cb -0.02 -0.31 0.19 0.00 0.00 0.00 0.00 23.12 22.98 1pn0 s ALA 590 CO 0.02 0.31 0.99 0.34 0.00 0.00 0.00 175.76 177.42 1pn0 s ASP 591 N -0.61 6.80 0.29 0.00 2.15 -0.10 -0.24 116.67 124.96 1pn0 s ASP 591 Ca 0.05 -2.58 -0.13 0.00 0.43 0.00 0.00 52.55 50.32 1pn0 s ASP 591 Cb -0.07 -2.29 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1pn0 s ASP 591 CO 0.00 -0.73 0.57 0.00 -0.17 0.00 0.00 175.17 174.84 1pn0 s ASP 593 N -3.04 5.00 0.28 0.00 2.15 -1.26 -4.32 116.67 115.48 1pn0 s ASP 593 Ca 0.20 2.28 0.04 0.00 0.43 0.00 0.00 52.55 55.50 1pn0 s ASP 593 Cb -0.02 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 40.00 1pn0 s ASP 593 CO 0.11 -1.71 0.28 -1.54 -0.17 0.00 0.00 175.17 172.14 1pn0 n SER 594 N -1.98 -0.74 -0.22 -0.34 3.41 -0.85 -4.90 113.62 108.00 1pn0 n SER 594 Ca 0.13 -2.72 -0.08 0.00 -0.26 0.00 0.00 58.87 55.94 1pn0 n SER 594 Cb 0.50 1.58 0.03 0.00 -0.26 0.00 0.00 64.21 66.06 1pn0 n SER 594 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1pn0 h TRP 595 N 1.86 1.08 -0.02 7.33 4.06 -1.97 -3.28 115.95 125.01 1pn0 h TRP 595 Ca -0.20 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.61 1pn0 h TRP 595 Cb 0.98 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1pn0 h TRP 595 CO 0.00 0.91 -0.01 0.72 -3.56 0.00 0.00 178.44 176.50 1pn0 n HIS 596 N -4.30 0.00 -3.89 0.49 8.25 -1.26 -4.99 115.22 109.53 1pn0 n HIS 596 Ca 0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 1pn0 n HIS 596 Cb 0.26 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.27 1pn0 n HIS 596 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1pn0 s HIS 597 N -1.06 0.07 0.97 4.41 3.76 -1.24 -5.16 115.29 117.04 1pn0 s HIS 597 Ca 0.14 -0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.75 1pn0 s HIS 597 Cb 0.10 -0.06 0.17 0.00 1.11 0.00 0.00 32.58 33.90 1pn0 s HIS 597 CO 0.16 -0.26 1.15 -1.25 -0.85 0.00 0.00 174.74 173.70 1pn0 s PRO 598 N -1.30 0.63 0.06 8.40 0.04 -1.26 -2.00 135.00 139.57 1pn0 s PRO 598 Ca -0.14 0.15 -0.34 0.00 0.04 0.00 0.00 61.00 60.71 1pn0 s PRO 598 Cb -0.08 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.54 1pn0 s PRO 598 CO 0.01 -2.52 1.65 1.58 0.04 0.00 0.00 177.00 177.77 1pn0 n HIS 599 N -3.96 2.21 1.55 0.56 -0.00 -1.26 -4.56 115.22 109.76 1pn0 n HIS 599 Ca 0.09 0.23 0.15 0.00 -0.00 0.00 0.00 57.72 58.19 1pn0 n HIS 599 Cb 0.59 -2.56 0.80 0.00 -0.00 0.00 0.00 29.99 28.82 1pn0 n HIS 599 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1pn0 n PRO 600 N 4.38 0.56 -4.00 1.57 -0.04 -1.26 -4.90 135.00 131.30 1pn0 n PRO 600 Ca 0.19 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.38 1pn0 n PRO 600 Cb 0.27 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1pn0 n PRO 600 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pn0 n LYS 601 N -1.22 -3.40 0.10 0.54 5.02 -1.26 -4.88 118.16 113.05 1pn0 n LYS 601 Ca 0.16 0.41 -0.15 0.00 -2.02 0.00 0.00 58.31 56.72 1pn0 n LYS 601 Cb 0.21 -4.68 -0.11 0.00 -0.02 0.00 0.00 35.03 30.43 1pn0 n LYS 601 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1pn0 h SER 602 N -1.79 0.41 -0.62 4.39 0.02 -1.91 -1.39 113.55 112.66 1pn0 h SER 602 Ca -0.62 -0.42 0.09 0.00 -0.84 0.00 0.00 61.79 60.00 1pn0 h SER 602 Cb 1.38 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1pn0 h SER 602 CO 0.65 1.30 0.26 1.88 -1.14 0.00 0.00 176.83 179.78 1pn0 h TYR 603 N 0.10 0.45 -0.57 3.45 -1.99 -1.90 0.99 116.97 117.50 1pn0 h TYR 603 Ca -0.11 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.59 1pn0 h TYR 603 Cb 1.87 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 40.47 1pn0 h TYR 603 CO 0.06 0.14 0.14 1.96 -0.00 0.00 0.00 178.16 180.46 1pn0 h GLN 604 N 0.45 0.91 -0.21 4.88 4.20 -1.72 0.20 115.11 123.82 1pn0 h GLN 604 Ca 0.31 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1pn0 h GLN 604 Cb 0.36 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1pn0 h GLN 604 CO -0.29 0.84 -0.07 0.00 -0.67 0.00 0.00 178.83 178.64 1pn0 h ALA 605 N 1.03 1.49 0.00 3.87 0.00 -0.78 -1.72 119.26 123.14 1pn0 h ALA 605 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pn0 h ALA 605 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pn0 h ALA 605 CO 0.00 0.36 -0.06 0.91 0.00 0.00 0.00 179.25 180.47 1pn0 n TRP 606 N -4.29 0.80 -2.07 0.00 8.01 0.30 -4.69 117.44 115.49 1pn0 n TRP 606 Ca 0.00 0.23 -0.04 0.00 -1.31 0.00 0.00 57.50 56.38 1pn0 n TRP 606 Cb 0.25 -0.87 -0.00 0.00 -2.01 0.00 0.00 31.31 28.68 1pn0 n TRP 606 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pn0 n GLY 607 N 1.33 0.20 3.68 6.99 0.00 0.48 -1.24 105.19 116.62 1pn0 n GLY 607 Ca 0.06 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 1pn0 n GLY 607 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pn0 s VAL 608 N -2.21 4.65 0.20 1.61 1.01 0.07 -0.70 120.40 125.03 1pn0 s VAL 608 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.56 1pn0 s VAL 608 Cb 0.00 -3.03 -0.12 0.00 0.00 0.00 0.00 36.38 33.23 1pn0 s VAL 608 CO 0.00 0.54 1.69 -0.62 0.00 0.00 0.00 175.10 176.71 1pn0 s ASP 609 N -0.28 6.42 0.46 3.32 2.15 -1.26 -4.36 116.67 123.12 1pn0 s ASP 609 Ca 0.08 2.82 0.21 0.00 0.43 0.00 0.00 52.55 56.09 1pn0 s ASP 609 Cb -0.12 -2.60 1.14 0.00 -0.30 0.00 0.00 42.92 41.04 1pn0 s ASP 609 CO 0.02 -0.94 1.97 -0.33 -0.17 0.00 0.00 175.17 175.72 1pn0 h GLU 610 N 6.76 0.00 0.00 4.34 5.08 -1.94 -0.69 114.58 128.13 1pn0 h GLU 610 Ca -0.43 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.80 1pn0 h GLU 610 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1pn0 h GLU 610 CO 0.95 0.20 -0.89 1.15 -1.00 0.00 0.00 179.01 179.43 1pn0 h THR 611 N 0.00 0.58 0.00 1.13 2.02 -1.92 -2.65 112.91 112.08 1pn0 h THR 611 Ca -0.00 -1.71 -0.11 0.00 0.77 0.00 0.00 66.41 65.36 1pn0 h THR 611 Cb 0.46 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1pn0 h THR 611 CO 0.03 0.20 -0.78 0.11 0.37 0.00 0.00 175.52 175.44 1pn0 h LYS 612 N -1.00 0.00 0.00 6.66 1.57 -1.91 -1.71 116.57 120.18 1pn0 h LYS 612 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1pn0 h LYS 612 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1pn0 h LYS 612 CO -0.12 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 1pn0 n GLY 613 N 1.26 0.31 3.76 3.86 0.00 -0.27 -4.68 105.19 109.44 1pn0 n GLY 613 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.11 1pn0 n GLY 613 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn0 s ALA 614 N -1.67 -2.19 -0.07 4.61 0.00 -0.72 -4.54 121.76 117.18 1pn0 s ALA 614 Ca 0.00 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.34 1pn0 s ALA 614 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1pn0 s ALA 614 CO 0.00 -1.08 -0.18 0.08 0.00 0.00 0.00 175.76 174.58 1pn0 s VAL 615 N -2.35 1.55 -0.09 0.00 1.01 0.36 -0.44 120.40 120.43 1pn0 s VAL 615 Ca 0.19 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1pn0 s VAL 615 Cb 0.02 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1pn0 s VAL 615 CO -0.01 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.73 1pn0 s VAL 616 N 0.41 1.14 -0.03 2.92 1.01 -0.33 -0.42 120.40 125.10 1pn0 s VAL 616 Ca -0.14 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1pn0 s VAL 616 Cb -0.16 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1pn0 s VAL 616 CO 0.05 0.37 0.41 -0.69 0.00 0.00 0.00 175.10 175.25 1pn0 s VAL 617 N 1.05 5.06 -0.05 2.92 1.01 0.00 0.09 120.40 130.48 1pn0 s VAL 617 Ca -0.07 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.79 1pn0 s VAL 617 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1pn0 s VAL 617 CO -0.01 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 1pn0 s VAL 618 N -0.74 1.32 0.87 2.92 1.01 0.13 -0.95 120.40 124.96 1pn0 s VAL 618 Ca 0.24 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1pn0 s VAL 618 Cb -0.16 -1.15 0.12 0.00 0.00 0.00 0.00 36.38 35.18 1pn0 s VAL 618 CO 0.12 0.39 1.09 -0.13 0.00 0.00 0.00 175.10 176.57 1pn0 s ARG 619 N 0.19 1.44 0.59 2.72 0.52 0.37 -0.67 118.95 124.11 1pn0 s ARG 619 Ca -0.07 0.82 0.29 0.00 -0.52 0.00 0.00 55.73 56.26 1pn0 s ARG 619 Cb -0.12 -1.83 1.76 0.00 0.52 0.00 0.00 34.95 35.28 1pn0 s ARG 619 CO 0.03 -2.11 2.20 -1.35 0.02 0.00 0.00 175.30 174.08 1pn0 h PRO 620 N -1.46 0.00 -0.40 3.54 0.11 -1.87 0.35 132.00 132.28 1pn0 h PRO 620 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pn0 h PRO 620 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pn0 h PRO 620 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1pn0 n ASP 621 N -3.83 1.89 0.00 -2.05 5.68 -1.26 -4.60 116.55 112.38 1pn0 n ASP 621 Ca -0.01 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1pn0 n ASP 621 Cb 0.17 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1pn0 n ASP 621 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pn0 n GLY 622 N 0.88 0.48 3.80 6.12 0.00 0.11 -5.00 105.19 111.59 1pn0 n GLY 622 Ca 0.11 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1pn0 n GLY 622 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pn0 s TYR 623 N -2.00 3.60 0.17 1.61 1.51 -1.26 -0.19 117.35 120.79 1pn0 s TYR 623 Ca 0.00 0.76 -0.31 0.00 -1.01 0.00 0.00 57.07 56.51 1pn0 s TYR 623 Cb 0.00 -2.25 -0.09 0.00 -0.11 0.00 0.00 41.96 39.51 1pn0 s TYR 623 CO 0.00 0.50 1.37 0.99 -1.11 0.00 0.00 175.55 177.30 1pn0 s THR 624 N -0.44 3.15 0.00 -0.71 2.01 -0.21 -0.48 115.64 118.96 1pn0 s THR 624 Ca 0.20 0.89 0.00 0.00 0.31 0.00 0.00 61.69 63.08 1pn0 s THR 624 Cb -0.14 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1pn0 s THR 624 CO 0.08 0.10 0.00 -1.54 -0.69 0.00 0.00 174.62 172.57 1pn0 n SER 625 N 3.19 0.84 -3.63 3.53 3.41 -0.13 -1.01 113.62 119.82 1pn0 n SER 625 Ca 0.09 -0.36 -0.11 0.00 -0.26 0.00 0.00 58.87 58.23 1pn0 n SER 625 Cb 0.42 0.88 -0.07 0.00 -0.26 0.00 0.00 64.21 65.18 1pn0 n SER 625 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pn0 s LEU 626 N -1.94 -0.64 -0.09 1.04 2.96 -1.21 -0.82 118.68 117.98 1pn0 s LEU 626 Ca 0.00 1.20 0.02 0.00 -0.22 0.00 0.00 54.13 55.13 1pn0 s LEU 626 Cb 0.00 2.20 0.01 0.00 0.50 0.00 0.00 46.19 48.90 1pn0 s LEU 626 CO 0.00 -0.20 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.99 1pn0 s VAL 627 N 0.48 1.41 0.09 1.68 1.01 -1.26 -0.82 120.40 122.98 1pn0 s VAL 627 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1pn0 s VAL 627 Cb -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1pn0 s VAL 627 CO -0.04 0.42 0.12 1.07 0.00 0.00 0.00 175.10 176.67 1pn0 n THR 628 N 4.06 0.00 -3.20 3.92 5.66 0.44 -0.33 114.28 124.82 1pn0 n THR 628 Ca -0.20 -0.47 -0.20 0.00 -3.05 0.00 0.00 64.05 60.13 1pn0 n THR 628 Cb 0.51 0.28 0.02 0.00 -1.55 0.00 0.00 70.33 69.60 1pn0 n THR 628 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1pn0 s ASP 629 N -1.56 5.22 0.60 1.09 1.47 -1.26 -0.49 116.67 121.74 1pn0 s ASP 629 Ca 0.08 -0.74 0.32 0.00 1.18 0.00 0.00 52.55 53.38 1pn0 s ASP 629 Cb -0.00 -0.12 1.92 0.00 -0.34 0.00 0.00 42.92 44.38 1pn0 s ASP 629 CO 0.05 -1.03 2.28 -0.07 0.68 0.00 0.00 175.17 177.08 1pn0 h LEU 630 N 0.51 0.00 0.00 2.11 3.38 -1.91 -0.85 115.31 118.56 1pn0 h LEU 630 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1pn0 h LEU 630 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1pn0 h LEU 630 CO 0.46 0.00 -0.10 -0.62 0.09 0.00 0.00 178.44 178.28 1pn0 n GLU 631 N -3.72 0.03 -0.60 1.13 4.71 -1.26 -4.39 120.64 116.53 1pn0 n GLU 631 Ca -0.03 0.02 -0.03 0.00 -0.01 0.00 0.00 57.16 57.11 1pn0 n GLU 631 Cb 0.08 -1.53 -0.01 0.00 -1.01 0.00 0.00 31.44 28.97 1pn0 n GLU 631 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pn0 n GLY 632 N 1.48 2.76 0.20 0.62 0.00 -0.32 -4.46 105.19 105.47 1pn0 n GLY 632 Ca 0.07 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.86 1pn0 n GLY 632 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pn0 h THR 633 N 1.10 1.21 -0.54 2.61 1.35 -1.81 -2.40 112.91 114.43 1pn0 h THR 633 Ca 0.06 -1.01 -0.08 0.00 -0.55 0.00 0.00 66.41 64.82 1pn0 h THR 633 Cb 1.03 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 1pn0 h THR 633 CO 0.12 0.29 0.00 0.00 -0.25 0.00 0.00 175.52 175.69 1pn0 h ALA 634 N 1.70 0.98 -0.36 6.62 0.00 -1.98 -0.39 119.26 125.84 1pn0 h ALA 634 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1pn0 h ALA 634 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1pn0 h ALA 634 CO 0.04 0.62 -0.25 0.93 0.00 0.00 0.00 179.25 180.59 1pn0 h GLU 635 N 0.86 0.73 -0.37 0.00 3.07 -1.82 -0.83 114.58 116.22 1pn0 h GLU 635 Ca 0.16 -0.30 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 1pn0 h GLU 635 Cb 0.50 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1pn0 h GLU 635 CO 0.02 0.90 0.09 0.82 -1.40 0.00 0.00 179.01 179.45 1pn0 h ILE 636 N 0.63 1.23 -0.45 3.13 2.04 -1.11 -1.46 117.51 121.52 1pn0 h ILE 636 Ca 0.08 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.21 1pn0 h ILE 636 Cb 0.75 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1pn0 h ILE 636 CO 0.06 0.26 0.23 0.44 0.00 0.00 0.00 178.15 179.14 1pn0 h ASP 637 N 0.45 0.33 -0.55 1.72 3.32 -0.81 -2.21 116.42 118.68 1pn0 h ASP 637 Ca 0.12 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1pn0 h ASP 637 Cb 0.31 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1pn0 h ASP 637 CO 0.00 0.24 0.02 -0.09 -1.72 0.00 0.00 179.24 177.69 1pn0 h ARG 638 N 0.46 0.99 0.01 3.56 2.43 -1.01 -0.78 114.38 120.04 1pn0 h ARG 638 Ca 0.19 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1pn0 h ARG 638 Cb 0.10 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1pn0 h ARG 638 CO -0.13 0.96 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.36 1pn0 h TYR 639 N 0.91 -0.02 -0.04 2.20 3.20 -1.00 -3.00 116.97 119.22 1pn0 h TYR 639 Ca 0.17 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 1pn0 h TYR 639 Cb 0.50 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1pn0 h TYR 639 CO 0.03 0.16 -0.58 0.74 -1.64 0.00 0.00 178.16 176.87 1pn0 h PHE 640 N -0.19 0.18 0.00 -3.82 0.04 -1.30 -3.03 116.94 108.82 1pn0 h PHE 640 Ca -0.00 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1pn0 h PHE 640 Cb 0.19 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 1pn0 h PHE 640 CO -0.02 0.69 -0.04 0.77 -0.60 0.00 0.00 178.31 179.12 1pn0 h SER 641 N 0.10 0.00 0.49 2.17 0.02 -1.02 0.12 113.55 115.43 1pn0 h SER 641 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pn0 h SER 641 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1pn0 h SER 641 CO 0.08 0.04 -0.18 0.61 -1.14 0.00 0.00 176.83 176.24 1pn0 n GLY 642 N -1.31 -1.07 0.97 -3.77 0.00 -1.14 -4.43 105.19 94.44 1pn0 n GLY 642 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1pn0 n GLY 642 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pn0 n ILE 643 N -1.13 0.00 -3.37 -0.61 5.41 -0.38 -4.84 119.36 114.44 1pn0 n ILE 643 Ca 0.11 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.57 1pn0 n ILE 643 Cb 0.31 -1.47 -0.04 0.00 -0.71 0.00 0.00 39.64 37.73 1pn0 n ILE 643 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1pn0 s LEU 644 N -5.97 4.09 -0.18 1.39 1.43 0.29 -1.17 118.68 118.55 1pn0 s LEU 644 Ca 0.00 0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1pn0 s LEU 644 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1pn0 s LEU 644 CO 0.00 -0.16 0.03 -0.69 0.23 0.00 0.00 176.35 175.76 1pn0 s VAL 645 N -2.01 4.40 0.31 -1.59 1.01 -0.02 -4.79 120.40 117.71 1pn0 s VAL 645 Ca 0.44 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 1pn0 s VAL 645 Cb -0.11 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.19 1pn0 s VAL 645 CO 0.28 0.45 1.50 -1.61 0.00 0.00 0.00 175.10 175.73 1pn0 s GLU 646 N 0.57 4.18 0.83 2.72 2.02 -1.26 -4.81 118.70 122.95 1pn0 s GLU 646 Ca 0.01 2.47 -0.11 0.00 0.02 0.00 0.00 54.97 57.37 1pn0 s GLU 646 Cb -0.13 -3.04 0.10 0.00 0.10 0.00 0.00 34.13 31.16 1pn0 s GLU 646 CO 0.02 -0.51 1.13 -2.14 0.02 0.00 0.00 175.26 173.77 1pn0 s PRO 647 N -0.99 1.65 0.22 0.39 0.02 -1.26 -4.92 135.00 130.11 1pn0 s PRO 647 Ca 0.58 1.42 -0.08 0.00 0.02 0.00 0.00 61.00 62.94 1pn0 s PRO 647 Cb -0.45 -1.81 0.30 0.00 0.02 0.00 0.00 34.50 32.56 1pn0 s PRO 647 CO 0.51 -2.14 1.77 -0.22 -0.33 0.00 0.00 177.00 176.59 1pn0 h LYS 648 N -1.38 0.50 -4.78 5.54 3.64 -1.97 -3.36 116.57 114.76 1pn0 h LYS 648 Ca -0.44 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.27 1pn0 h LYS 648 Cb 1.26 -0.11 -0.36 0.00 -0.41 0.00 0.00 32.23 32.60 1pn0 h LYS 648 CO 0.46 0.33 -0.82 -1.21 -2.27 0.00 0.00 179.45 175.94 1pn0 s GLU 649 N -6.08 2.36 0.48 1.90 2.02 -1.26 -5.10 118.70 113.02 1pn0 s GLU 649 Ca -0.13 -0.95 -0.08 0.00 0.02 0.00 0.00 54.97 53.84 1pn0 s GLU 649 Cb 0.17 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.80 1pn0 s GLU 649 CO 0.75 -0.39 0.82 -1.59 0.02 0.00 0.00 175.26 174.87 1pn0 s LYS 650 N 1.30 3.64 0.19 1.61 -2.85 -1.26 -0.42 119.74 121.95 1pn0 s LYS 650 Ca -0.01 0.39 -0.10 0.00 -1.00 0.00 0.00 55.97 55.25 1pn0 s LYS 650 Cb -0.16 -2.33 0.10 0.00 -2.06 0.00 0.00 37.83 33.38 1pn0 s LYS 650 CO -0.09 -0.20 1.72 1.03 0.10 0.00 0.00 175.35 177.91 1pn0 h SER 651 N 0.52 0.96 -3.08 0.03 0.87 -0.47 -3.33 113.55 109.06 1pn0 h SER 651 Ca -0.47 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 1pn0 h SER 651 Cb 1.20 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1pn0 h SER 651 CO 0.62 0.91 0.00 0.61 -0.53 0.00 0.00 176.83 178.45 1pn0 n GLY 652 N -0.73 -1.77 3.61 5.77 0.00 -0.21 -4.88 105.19 106.98 1pn0 n GLY 652 Ca 0.04 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1pn0 n GLY 652 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn0 n ALA 653 N 0.12 0.15 -1.83 4.61 0.00 -1.26 -4.59 120.51 117.72 1pn0 n ALA 653 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1pn0 n ALA 653 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 1pn0 n ALA 653 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pn0 s GLN 654 N -2.02 4.17 -0.05 0.00 -0.44 0.18 -4.90 119.66 116.60 1pn0 s GLN 654 Ca 0.63 2.43 0.21 0.00 -2.50 0.00 0.00 55.36 56.14 1pn0 s GLN 654 Cb -0.56 -3.80 -0.31 0.00 -1.64 0.00 0.00 33.01 26.71 1pn0 s GLN 654 CO 0.57 -0.83 0.44 0.25 0.50 0.00 0.00 175.29 176.21 1pn0 n THR 655 N 5.06 0.27 -2.53 -0.34 -2.24 -1.26 -5.00 114.28 108.24 1pn0 n THR 655 Ca 0.17 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 1pn0 n THR 655 Cb 0.40 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 1pn0 n THR 655 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pn0 s GLU 656 N -3.33 4.37 0.64 -0.78 0.41 -1.26 -5.04 118.70 113.70 1pn0 s GLU 656 Ca -0.08 1.62 -0.14 0.00 -0.41 0.00 0.00 54.97 55.96 1pn0 s GLU 656 Cb 0.12 -2.81 -0.02 0.00 -1.78 0.00 0.00 34.13 29.64 1pn0 s GLU 656 CO 0.89 0.02 1.06 0.00 -0.49 0.00 0.00 175.26 176.74 1pn0 s ALA 657 N -1.45 2.69 -0.32 5.21 0.00 -1.26 -4.80 121.76 121.83 1pn0 s ALA 657 Ca 0.52 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 52.49 1pn0 s ALA 657 Cb -0.26 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1pn0 s ALA 657 CO 0.33 -1.01 2.29 -3.47 0.00 0.00 0.00 175.76 173.90 1pn0 n ASP 658 N -2.47 2.87 0.25 0.00 -0.08 -1.26 -4.76 116.55 111.10 1pn0 n ASP 658 Ca 0.08 0.01 0.17 0.00 -1.51 0.00 0.00 54.79 53.54 1pn0 n ASP 658 Cb 0.53 -1.54 0.85 0.00 2.34 0.00 0.00 41.12 43.31 1pn0 n ASP 658 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1pn0 h TRP 659 N 16.17 0.00 0.00 -0.67 5.08 -1.92 -2.08 115.95 132.53 1pn0 h TRP 659 Ca -0.35 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.62 1pn0 h TRP 659 Cb 1.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.42 1pn0 h TRP 659 CO 0.95 0.00 -0.06 0.25 -1.28 0.00 0.00 178.44 178.30 1pn0 n THR 660 N -2.73 0.38 -3.47 0.12 -2.24 -1.26 -4.75 114.28 100.33 1pn0 n THR 660 Ca -0.01 -0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 1pn0 n THR 660 Cb 0.12 -0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 1pn0 n THR 660 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pn0 s LYS 661 N -3.07 4.23 0.00 -0.78 -0.14 -0.78 -5.15 119.74 114.05 1pn0 s LYS 661 Ca 0.11 0.15 0.00 0.00 -1.36 0.00 0.00 55.97 54.87 1pn0 s LYS 661 Cb 0.15 -3.47 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 1pn0 s LYS 661 CO 0.59 0.13 0.33 0.45 -0.76 0.00 0.00 175.35 176.10