#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hm3 h THR 27 N 0.00 1.36 -0.59 2.61 2.02 -2.03 -2.84 112.91 113.43 1hm3 h THR 27 Ca 0.00 -2.35 -0.02 0.00 0.77 0.00 0.00 66.41 64.81 1hm3 h THR 27 Cb 0.00 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1hm3 h THR 27 CO 0.00 0.70 0.29 0.00 0.37 0.00 0.00 175.52 176.89 1hm3 h ALA 28 N 0.27 0.76 -0.68 6.16 0.00 -2.00 -0.03 119.26 123.76 1hm3 h ALA 28 Ca -0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1hm3 h ALA 28 Cb 1.70 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1hm3 h ALA 28 CO 0.19 0.31 0.27 1.49 0.00 0.00 0.00 179.25 181.51 1hm3 h GLU 29 N 0.80 1.01 -0.25 0.00 4.57 -1.96 0.11 114.58 118.86 1hm3 h GLU 29 Ca 0.20 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1hm3 h GLU 29 Cb 0.10 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1hm3 h GLU 29 CO -0.03 0.85 0.14 1.25 -1.18 0.00 0.00 179.01 180.04 1hm3 h LEU 30 N 0.96 0.31 -0.65 1.64 5.85 -1.20 -0.74 115.31 121.49 1hm3 h LEU 30 Ca 0.22 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1hm3 h LEU 30 Cb 0.21 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1hm3 h LEU 30 CO -0.02 0.30 0.35 0.40 -0.34 0.00 0.00 178.44 179.13 1hm3 h ILE 31 N 0.30 1.21 -0.37 4.05 2.04 -0.71 -2.57 117.51 121.45 1hm3 h ILE 31 Ca 0.09 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 1hm3 h ILE 31 Cb 0.05 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1hm3 h ILE 31 CO -0.01 0.23 -0.18 -0.03 0.00 0.00 0.00 178.15 178.15 1hm3 h MET 32 N 0.89 0.70 -0.84 2.37 4.05 -0.72 -1.83 114.93 119.54 1hm3 h MET 32 Ca 0.23 -0.25 0.06 0.00 -0.28 0.00 0.00 59.70 59.45 1hm3 h MET 32 Cb 0.05 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.74 1hm3 h MET 32 CO -0.04 0.83 0.52 -0.22 0.23 0.00 0.00 176.91 178.24 1hm3 h LYS 33 N 0.62 0.92 -0.31 0.39 1.63 -0.89 -0.05 116.57 118.88 1hm3 h LYS 33 Ca 0.10 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1hm3 h LYS 33 Cb 0.65 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1hm3 h LYS 33 CO 0.05 0.61 0.11 0.00 -3.45 0.00 0.00 179.45 176.77 1hm3 h ARG 34 N 0.95 0.47 -0.58 1.90 3.08 -1.01 -1.19 114.38 117.99 1hm3 h ARG 34 Ca 0.36 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.34 1hm3 h ARG 34 Cb 0.16 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1hm3 h ARG 34 CO -0.17 0.49 0.37 0.28 -1.07 0.00 0.00 179.97 179.87 1hm3 h VAL 35 N 0.35 1.10 0.04 2.04 2.07 -0.62 -0.86 116.25 120.36 1hm3 h VAL 35 Ca 0.10 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1hm3 h VAL 35 Cb 0.20 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1hm3 h VAL 35 CO -0.01 0.13 -0.20 -0.03 0.02 0.00 0.00 177.57 177.48 1hm3 h MET 36 N 0.73 -0.34 -0.87 1.57 1.85 -0.77 -0.20 114.93 116.91 1hm3 h MET 36 Ca 0.23 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.40 1hm3 h MET 36 Cb -0.02 0.08 -0.06 0.00 0.43 0.00 0.00 31.60 32.03 1hm3 h MET 36 CO -0.08 -0.23 0.57 -0.07 -0.40 0.00 0.00 176.91 176.71 1hm3 h LEU 37 N -0.35 0.87 -1.28 3.39 3.38 -0.95 -0.39 115.31 119.98 1hm3 h LEU 37 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1hm3 h LEU 37 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1hm3 h LEU 37 CO -0.16 0.56 -0.33 -0.78 0.09 0.00 0.00 178.44 177.83 1hm3 h ASP 38 N 0.99 0.00 1.13 -0.43 3.58 -0.34 -2.92 116.42 118.43 1hm3 h ASP 38 Ca 0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1hm3 h ASP 38 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1hm3 h ASP 38 CO -0.14 0.33 -0.40 -0.07 -2.88 0.00 0.00 179.24 176.08 1hm3 h LEU 39 N 0.00 0.00 -9.80 2.28 3.38 0.62 -3.47 115.31 108.32 1hm3 h LEU 39 Ca -0.00 -0.12 -0.57 0.00 0.09 0.00 0.00 57.88 57.28 1hm3 h LEU 39 Cb 0.68 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.56 1hm3 h LEU 39 CO 0.04 0.06 0.43 0.29 0.09 0.00 0.00 178.44 179.36 1hm3 n LYS 40 N -2.23 1.81 -4.18 1.13 4.76 -0.81 -5.01 118.16 113.63 1hm3 n LYS 40 Ca 0.04 0.65 -0.24 0.00 -2.87 0.00 0.00 58.31 55.88 1hm3 n LYS 40 Cb 0.45 -2.32 -0.06 0.00 -1.84 0.00 0.00 35.03 31.25 1hm3 n LYS 40 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1hm3 s LYS 41 N -2.19 2.61 0.46 1.97 -0.14 -1.26 -5.07 119.74 116.12 1hm3 s LYS 41 Ca 0.62 -1.11 -0.23 0.00 -1.36 0.00 0.00 55.97 53.88 1hm3 s LYS 41 Cb -0.52 -2.42 -0.09 0.00 -1.68 0.00 0.00 37.83 33.12 1hm3 s LYS 41 CO 0.57 0.43 1.10 -2.30 -0.76 0.00 0.00 175.35 174.39 1hm3 n PRO 42 N -0.61 1.47 0.22 -1.68 -0.02 -1.26 -4.90 135.00 128.22 1hm3 n PRO 42 Ca -0.08 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1hm3 n PRO 42 Cb 0.57 -2.20 0.45 0.00 -0.02 0.00 0.00 33.50 32.29 1hm3 n PRO 42 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hm3 h LEU 43 N 1.51 0.00 -9.47 2.45 5.85 -2.01 -3.39 115.31 110.24 1hm3 h LEU 43 Ca -0.47 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 57.72 1hm3 h LEU 43 Cb 1.33 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.37 1hm3 h LEU 43 CO 0.57 0.20 0.85 -0.60 -0.34 0.00 0.00 178.44 179.12 1hm3 s ARG 44 N -3.59 4.26 0.00 1.25 3.52 -1.26 -2.64 118.95 120.49 1hm3 s ARG 44 Ca 0.01 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 1hm3 s ARG 44 Cb 0.10 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 1hm3 s ARG 44 CO 0.63 -0.58 0.00 0.09 -0.81 0.00 0.00 175.30 174.63 1hm3 n ASN 45 N 4.83 -4.51 -0.01 -2.12 3.02 -1.26 -4.86 115.26 110.35 1hm3 n ASN 45 Ca 0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.57 1hm3 n ASN 45 Cb 0.42 -2.76 -0.07 0.00 -0.61 0.00 0.00 39.78 36.76 1hm3 n ASN 45 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1hm3 h MET 46 N 0.26 0.10 -0.04 3.52 1.85 -1.71 -2.17 114.93 116.75 1hm3 h MET 46 Ca 0.00 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 58.99 1hm3 h MET 46 Cb 0.67 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.67 1hm3 h MET 46 CO 0.00 0.25 -0.34 -0.44 -0.40 0.00 0.00 176.91 175.98 1hm3 h ASP 47 N -0.07 0.07 -0.06 1.39 3.32 -1.89 -1.24 116.42 117.93 1hm3 h ASP 47 Ca 0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1hm3 h ASP 47 Cb 0.19 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1hm3 h ASP 47 CO -0.00 0.41 -0.01 0.50 -1.72 0.00 0.00 179.24 178.42 1hm3 h LYS 48 N 0.06 0.12 -0.45 3.56 3.64 -1.91 -1.30 116.57 120.29 1hm3 h LYS 48 Ca 0.01 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1hm3 h LYS 48 Cb 0.64 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1hm3 h LYS 48 CO 0.05 0.45 0.06 0.28 -2.27 0.00 0.00 179.45 178.01 1hm3 h VAL 49 N -0.21 1.25 -0.78 2.00 2.07 -1.31 -2.37 116.25 116.89 1hm3 h VAL 49 Ca 0.02 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1hm3 h VAL 49 Cb 0.40 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1hm3 h VAL 49 CO 0.01 0.33 0.49 0.00 0.02 0.00 0.00 177.57 178.41 1hm3 h ALA 50 N 0.94 1.03 -0.54 1.67 0.00 -1.20 -2.27 119.26 118.88 1hm3 h ALA 50 Ca 0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1hm3 h ALA 50 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1hm3 h ALA 50 CO 0.01 0.28 -0.09 1.49 0.00 0.00 0.00 179.25 180.94 1hm3 h GLU 51 N 0.95 1.01 -0.16 0.00 4.81 -1.11 -0.53 114.58 119.54 1hm3 h GLU 51 Ca 0.32 -0.36 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1hm3 h GLU 51 Cb 0.04 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1hm3 h GLU 51 CO -0.12 1.04 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.89 1hm3 h LYS 52 N 0.90 -0.08 0.00 1.92 3.64 -0.88 0.32 116.57 122.38 1hm3 h LYS 52 Ca 0.14 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 1hm3 h LYS 52 Cb 0.65 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1hm3 h LYS 52 CO 0.05 -0.06 -0.79 -0.91 -2.27 0.00 0.00 179.45 175.47 1hm3 h ASN 53 N -0.09 0.00 -0.51 4.20 2.35 -1.45 -3.06 115.58 117.02 1hm3 h ASN 53 Ca 0.09 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1hm3 h ASN 53 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1hm3 h ASN 53 CO -0.22 0.79 -0.10 0.25 -1.65 0.00 0.00 177.43 176.50 1hm3 h LEU 54 N 0.00 0.98 -0.96 1.61 5.85 -0.63 -1.12 115.31 121.04 1hm3 h LEU 54 Ca -0.01 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1hm3 h LEU 54 Cb 1.42 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1hm3 h LEU 54 CO 0.10 1.10 0.41 -1.13 -0.34 0.00 0.00 178.44 178.59 1hm3 h ASN 55 N 0.84 1.04 0.07 1.25 -1.24 -0.37 -2.77 115.58 114.41 1hm3 h ASN 55 Ca 0.13 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1hm3 h ASN 55 Cb 0.66 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1hm3 h ASN 55 CO 0.05 0.86 -0.11 1.07 -1.29 0.00 0.00 177.43 178.01 1hm3 n THR 56 N -4.32 0.00 -2.35 -3.57 5.66 -1.11 -4.86 114.28 103.72 1hm3 n THR 56 Ca 0.08 -0.22 -0.43 0.00 -3.05 0.00 0.00 64.05 60.43 1hm3 n THR 56 Cb 0.12 0.55 -0.02 0.00 -1.55 0.00 0.00 70.33 69.43 1hm3 n THR 56 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1hm3 s LEU 57 N -2.19 3.90 0.77 1.09 2.96 -0.44 -4.61 118.68 120.16 1hm3 s LEU 57 Ca 0.32 1.33 -0.12 0.00 -0.22 0.00 0.00 54.13 55.44 1hm3 s LEU 57 Cb 0.20 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.42 1hm3 s LEU 57 CO 0.41 -1.10 1.11 -1.10 -1.32 0.00 0.00 176.35 174.35 1hm3 s GLN 58 N 4.24 2.12 0.54 1.98 -0.21 -0.51 -4.86 119.66 122.96 1hm3 s GLN 58 Ca 0.59 1.33 0.25 0.00 0.02 0.00 0.00 55.36 57.55 1hm3 s GLN 58 Cb -0.19 -1.87 1.42 0.00 1.00 0.00 0.00 33.01 33.37 1hm3 s GLN 58 CO 0.24 -1.77 2.02 -1.35 -2.12 0.00 0.00 175.29 172.31 1hm3 h PRO 59 N -0.98 0.00 -0.46 2.91 0.11 -1.94 0.37 132.00 132.00 1hm3 h PRO 59 Ca -0.44 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1hm3 h PRO 59 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1hm3 h PRO 59 CO 0.50 0.00 0.31 0.22 -0.21 0.00 0.00 178.00 178.82 1hm3 h ASP 60 N 0.00 0.34 0.00 -2.05 -0.00 -1.97 -3.45 116.42 109.28 1hm3 h ASP 60 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 1hm3 h ASP 60 Cb 0.83 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.08 1hm3 h ASP 60 CO -0.00 0.23 0.00 0.61 -0.00 0.00 0.00 179.24 180.07 1hm3 n GLY 61 N -1.51 0.91 3.56 -0.78 0.00 0.13 -4.72 105.19 102.77 1hm3 n GLY 61 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1hm3 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hm3 s SER 62 N -2.08 4.06 -0.20 1.61 1.04 -1.25 -4.05 113.70 112.83 1hm3 s SER 62 Ca 0.00 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 1hm3 s SER 62 Cb 0.00 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.53 1hm3 s SER 62 CO 0.00 0.02 -0.02 0.26 0.98 0.00 0.00 173.24 174.48 1hm3 s TRP 63 N -2.39 2.99 0.25 5.02 0.51 -1.26 -1.43 118.94 122.62 1hm3 s TRP 63 Ca 0.30 -0.64 -0.04 0.00 -2.12 0.00 0.00 56.10 53.61 1hm3 s TRP 63 Cb -0.06 -2.08 0.46 0.00 -0.81 0.00 0.00 33.47 30.98 1hm3 s TRP 63 CO 0.17 -0.35 1.74 1.57 -0.51 0.00 0.00 176.95 179.58 1hm3 h LYS 64 N 7.68 0.49 0.00 4.98 2.10 -2.01 -2.13 116.57 127.68 1hm3 h LYS 64 Ca -0.37 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1hm3 h LYS 64 Cb 1.17 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1hm3 h LYS 64 CO 0.60 0.32 0.00 -0.25 -2.00 0.00 0.00 179.45 178.12 1hm3 n ASP 65 N -4.96 0.00 -4.50 7.07 8.00 -1.26 -4.71 116.55 116.20 1hm3 n ASP 65 Ca 0.14 -1.45 -0.40 0.00 0.71 0.00 0.00 54.79 53.80 1hm3 n ASP 65 Cb 0.40 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.39 1hm3 n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1hm3 s VAL 66 N -2.00 5.03 -1.27 2.53 1.01 -0.80 -5.02 120.40 119.88 1hm3 s VAL 66 Ca 0.21 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1hm3 s VAL 66 Cb 0.10 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1hm3 s VAL 66 CO 0.16 0.02 1.83 -2.65 0.00 0.00 0.00 175.10 174.47 1hm3 n PRO 67 N 5.06 2.73 0.15 2.72 -0.02 -1.26 -4.83 135.00 139.55 1hm3 n PRO 67 Ca -0.13 -2.99 0.08 0.00 -2.02 0.00 0.00 63.50 58.44 1hm3 n PRO 67 Cb 0.49 -3.52 0.42 0.00 -0.02 0.00 0.00 33.50 30.88 1hm3 n PRO 67 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1hm3 n TYR 68 N 9.67 0.53 0.49 6.00 4.02 -1.26 -0.70 117.16 135.91 1hm3 n TYR 68 Ca 0.48 0.28 0.12 0.00 -0.01 0.00 0.00 57.90 58.76 1hm3 n TYR 68 Cb 0.45 -0.83 0.08 0.00 -0.02 0.00 0.00 39.34 39.02 1hm3 n TYR 68 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1hm3 n LYS 69 N -2.08 0.34 -1.71 -0.72 4.76 -1.26 -4.63 118.16 112.87 1hm3 n LYS 69 Ca -0.01 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1hm3 n LYS 69 Cb 0.18 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 31.69 1hm3 n LYS 69 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1hm3 n ASP 70 N -2.14 2.97 -1.06 4.39 -0.08 0.12 -4.93 116.55 115.82 1hm3 n ASP 70 Ca 0.02 1.20 0.04 0.00 -1.51 0.00 0.00 54.79 54.55 1hm3 n ASP 70 Cb 0.46 -1.51 0.08 0.00 2.34 0.00 0.00 41.12 42.49 1hm3 n ASP 70 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1hm3 n ASP 71 N 0.89 1.15 -4.53 1.67 3.85 -1.26 -4.63 116.55 113.69 1hm3 n ASP 71 Ca 0.05 -2.57 -0.39 0.00 -0.71 0.00 0.00 54.79 51.17 1hm3 n ASP 71 Cb 0.36 -0.36 0.03 0.00 -1.35 0.00 0.00 41.12 39.81 1hm3 n ASP 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1hm3 n ALA 72 N -0.10 -0.64 0.08 2.12 0.00 -1.26 -1.24 120.51 119.47 1hm3 n ALA 72 Ca 0.09 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 1hm3 n ALA 72 Cb 0.94 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 1hm3 n ALA 72 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1hm3 h MET 73 N 0.59 -0.20 -6.17 0.00 4.05 -1.97 -3.38 114.93 107.85 1hm3 h MET 73 Ca -0.45 0.01 -0.60 0.00 -0.28 0.00 0.00 59.70 58.38 1hm3 h MET 73 Cb 1.38 0.05 -0.13 0.00 -0.80 0.00 0.00 31.60 32.10 1hm3 h MET 73 CO 0.50 0.12 -0.71 0.95 0.23 0.00 0.00 176.91 178.00 1hm3 s THR 74 N -4.80 2.71 -1.20 -0.77 -4.23 -1.26 -4.68 115.64 101.40 1hm3 s THR 74 Ca -0.15 -2.23 -0.05 0.00 -1.18 0.00 0.00 61.69 58.09 1hm3 s THR 74 Cb 0.03 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1hm3 s THR 74 CO 0.61 -0.36 0.82 0.59 -0.54 0.00 0.00 174.62 175.74 1hm3 n ASN 75 N -0.73 -3.26 -4.56 3.99 3.02 -1.26 -4.82 115.26 107.64 1hm3 n ASN 75 Ca -0.05 -0.79 -0.38 0.00 -0.03 0.00 0.00 54.58 53.33 1hm3 n ASN 75 Cb 0.60 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.32 1hm3 n ASN 75 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1hm3 s TRP 76 N -3.51 2.22 0.39 3.10 -0.00 -1.26 -4.77 118.94 115.10 1hm3 s TRP 76 Ca 0.18 -0.14 0.14 0.00 -0.00 0.00 0.00 56.10 56.29 1hm3 s TRP 76 Cb -0.04 -4.49 0.98 0.00 -0.00 0.00 0.00 33.47 29.93 1hm3 s TRP 76 CO 0.79 -2.00 1.84 -0.07 -0.00 0.00 0.00 176.95 177.51 1hm3 h LEU 77 N 14.22 0.51 -2.18 5.86 3.38 -1.89 -2.64 115.31 132.58 1hm3 h LEU 77 Ca -0.02 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1hm3 h LEU 77 Cb 1.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1hm3 h LEU 77 CO 1.32 0.21 0.28 -0.65 0.09 0.00 0.00 178.44 179.69 1hm3 h PRO 78 N 0.51 0.00 -0.24 1.13 0.11 -1.84 -0.67 132.00 131.01 1hm3 h PRO 78 Ca 0.49 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.67 1hm3 h PRO 78 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1hm3 h PRO 78 CO -0.22 0.00 0.21 -0.97 -0.21 0.00 0.00 178.00 176.81 1hm3 h ASN 79 N 0.00 0.00 -0.29 -2.05 -0.00 -1.87 -1.30 115.58 110.07 1hm3 h ASN 79 Ca 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 56.30 56.47 1hm3 h ASN 79 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.95 1hm3 h ASN 79 CO -0.00 0.00 0.28 0.78 -0.00 0.00 0.00 177.43 178.49 1hm3 h ASN 80 N 0.00 0.00 -0.37 1.15 2.35 -1.35 0.14 115.58 117.51 1hm3 h ASN 80 Ca 0.11 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1hm3 h ASN 80 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1hm3 h ASN 80 CO -0.00 0.00 0.13 -0.74 -1.65 0.00 0.00 177.43 175.17 1hm3 h HIS 81 N 0.00 0.57 -0.47 1.19 2.76 -1.44 -0.13 115.15 117.64 1hm3 h HIS 81 Ca 0.14 -0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 1hm3 h HIS 81 Cb 0.69 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1hm3 h HIS 81 CO 0.00 0.54 -0.00 -0.07 -1.30 0.00 0.00 177.93 177.09 1hm3 h LEU 82 N 0.44 0.81 0.10 0.26 3.38 -0.92 -1.02 115.31 118.36 1hm3 h LEU 82 Ca 0.12 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1hm3 h LEU 82 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hm3 h LEU 82 CO -0.01 0.92 -0.05 -0.07 0.09 0.00 0.00 178.44 179.33 1hm3 h LEU 83 N 0.68 -0.11 -0.77 1.67 3.38 -1.09 -0.39 115.31 118.67 1hm3 h LEU 83 Ca 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1hm3 h LEU 83 Cb 0.51 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1hm3 h LEU 83 CO 0.02 -0.04 0.45 1.56 0.09 0.00 0.00 178.44 180.52 1hm3 h GLN 84 N -0.17 1.06 -0.22 1.13 4.20 -0.96 -1.43 115.11 118.72 1hm3 h GLN 84 Ca -0.01 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1hm3 h GLN 84 Cb 0.14 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1hm3 h GLN 84 CO 0.02 0.77 -0.10 1.25 -0.67 0.00 0.00 178.83 180.09 1hm3 h LEU 85 N 1.06 0.33 -0.36 1.46 5.85 -1.03 -2.71 115.31 119.91 1hm3 h LEU 85 Ca 0.28 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1hm3 h LEU 85 Cb -0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1hm3 h LEU 85 CO -0.05 0.47 0.21 -0.08 -0.34 0.00 0.00 178.44 178.65 1hm3 h GLU 86 N 0.33 0.50 0.00 1.25 4.22 0.01 -0.51 114.58 120.37 1hm3 h GLU 86 Ca 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1hm3 h GLU 86 Cb 0.39 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1hm3 h GLU 86 CO 0.02 0.38 -0.06 1.79 -2.18 0.00 0.00 179.01 178.97 1hm3 h THR 87 N 0.47 1.00 0.07 0.32 1.35 -1.13 -1.34 112.91 113.65 1hm3 h THR 87 Ca 0.13 -0.19 -0.24 0.00 -0.55 0.00 0.00 66.41 65.55 1hm3 h THR 87 Cb 0.02 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1hm3 h THR 87 CO -0.02 0.05 -1.10 0.40 -0.25 0.00 0.00 175.52 174.60 1hm3 h ILE 88 N 0.00 1.51 -0.44 6.82 2.04 -1.22 -3.23 117.51 122.98 1hm3 h ILE 88 Ca -0.00 -2.92 -0.09 0.00 1.00 0.00 0.00 64.86 62.85 1hm3 h ILE 88 Cb 0.10 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1hm3 h ILE 88 CO 0.01 0.85 -0.11 0.40 0.00 0.00 0.00 178.15 179.30 1hm3 h ILE 89 N 0.10 1.26 0.23 -0.67 2.04 -0.07 -2.60 117.51 117.80 1hm3 h ILE 89 Ca -0.09 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.60 1hm3 h ILE 89 Cb 1.80 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1hm3 h ILE 89 CO 0.18 0.40 -0.29 1.56 0.00 0.00 0.00 178.15 180.00 1hm3 h GLN 90 N 0.72 -0.55 -0.24 2.37 1.08 -1.32 -2.86 115.11 114.31 1hm3 h GLN 90 Ca 0.12 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1hm3 h GLN 90 Cb 0.59 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 1hm3 h GLN 90 CO 0.04 -0.37 0.08 0.00 -0.95 0.00 0.00 178.83 177.63 1hm3 h ALA 91 N 0.06 0.26 -0.87 3.87 0.00 -1.57 -1.83 119.26 119.17 1hm3 h ALA 91 Ca 0.00 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.15 1hm3 h ALA 91 Cb 0.55 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.23 1hm3 h ALA 91 CO -0.10 -0.34 0.36 -0.92 0.00 0.00 0.00 179.25 178.26 1hm3 h TYR 92 N 0.19 0.59 0.00 0.00 3.20 -1.31 -1.13 116.97 118.51 1hm3 h TYR 92 Ca 0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1hm3 h TYR 92 Cb 0.07 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1hm3 h TYR 92 CO -0.13 -0.05 -0.65 0.44 -1.64 0.00 0.00 178.16 176.13 1hm3 n ILE 93 N -5.06 0.25 -2.68 1.81 -5.35 -1.08 -1.03 119.36 106.21 1hm3 n ILE 93 Ca 0.21 -0.21 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 1hm3 n ILE 93 Cb 0.62 -0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.50 1hm3 n ILE 93 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1hm3 s GLU 94 N -3.13 4.34 0.25 6.28 2.56 -0.43 -4.92 118.70 123.64 1hm3 s GLU 94 Ca 0.07 1.37 -0.05 0.00 0.00 0.00 0.00 54.97 56.36 1hm3 s GLU 94 Cb 0.14 -3.59 0.34 0.00 2.00 0.00 0.00 34.13 33.02 1hm3 s GLU 94 CO 0.73 -0.47 1.87 0.87 -0.56 0.00 0.00 175.26 177.69 1hm3 h LYS 95 N 7.27 1.03 -0.15 4.30 1.57 -1.89 -1.98 116.57 126.71 1hm3 h LYS 95 Ca -0.25 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1hm3 h LYS 95 Cb 1.10 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1hm3 h LYS 95 CO 0.92 0.68 0.00 -0.25 -0.57 0.00 0.00 179.45 180.23 1hm3 n ASP 96 N -4.57 0.88 -4.79 0.86 8.00 -1.26 -4.82 116.55 110.85 1hm3 n ASP 96 Ca 0.13 -1.92 -0.39 0.00 0.71 0.00 0.00 54.79 53.32 1hm3 n ASP 96 Cb 0.16 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 1hm3 n ASP 96 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1hm3 s SER 97 N -1.10 7.24 0.00 -2.24 0.15 -0.75 -4.93 113.70 112.07 1hm3 s SER 97 Ca 0.15 1.48 0.06 0.00 0.70 0.00 0.00 55.95 58.34 1hm3 s SER 97 Cb 0.07 -2.44 0.34 0.00 -1.71 0.00 0.00 66.02 62.29 1hm3 s SER 97 CO 0.10 0.22 1.14 0.00 1.20 0.00 0.00 173.24 175.90 1hm3 n HIS 98 N 1.55 0.00 0.35 3.44 1.44 -1.26 -1.72 115.22 119.02 1hm3 n HIS 98 Ca -0.07 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.68 1hm3 n HIS 98 Cb 0.50 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.63 1hm3 n HIS 98 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1hm3 n TYR 99 N -0.60 0.00 -1.68 -1.40 4.02 -1.26 -4.97 117.16 111.26 1hm3 n TYR 99 Ca 0.04 0.00 -0.62 0.00 -0.01 0.00 0.00 57.90 57.31 1hm3 n TYR 99 Cb 0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.25 1hm3 n TYR 99 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1hm3 n TYR 100 N 0.30 1.84 -1.55 -0.72 9.36 -0.70 -1.01 117.16 124.68 1hm3 n TYR 100 Ca 0.05 0.82 -0.17 0.00 3.32 0.00 0.00 57.90 61.92 1hm3 n TYR 100 Cb 0.20 -2.35 -0.07 0.00 -0.63 0.00 0.00 39.34 36.49 1hm3 n TYR 100 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1hm3 n GLY 101 N 4.46 1.49 3.68 2.98 0.00 -0.20 -4.92 105.19 112.68 1hm3 n GLY 101 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1hm3 n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hm3 s ASP 102 N -2.41 6.65 0.39 1.61 2.15 -0.18 -4.89 116.67 119.99 1hm3 s ASP 102 Ca 0.00 2.34 0.06 0.00 0.43 0.00 0.00 52.55 55.38 1hm3 s ASP 102 Cb 0.00 -2.55 0.79 0.00 -0.30 0.00 0.00 42.92 40.86 1hm3 s ASP 102 CO 0.00 -0.89 2.03 0.44 -0.17 0.00 0.00 175.17 176.58 1hm3 h ASP 103 N 8.89 0.56 -0.33 -0.34 3.45 -1.91 -0.22 116.42 126.52 1hm3 h ASP 103 Ca -0.41 -0.01 -0.13 0.00 0.43 0.00 0.00 57.03 56.91 1hm3 h ASP 103 Cb 1.19 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.82 1hm3 h ASP 103 CO 0.94 0.40 -0.31 0.50 -1.57 0.00 0.00 179.24 179.20 1hm3 h LYS 104 N 0.66 0.79 -0.42 3.56 1.63 -1.98 -2.11 116.57 118.70 1hm3 h LYS 104 Ca 0.19 -0.41 -0.12 0.00 -0.85 0.00 0.00 60.65 59.47 1hm3 h LYS 104 Cb -0.02 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1hm3 h LYS 104 CO -0.05 1.04 -0.21 0.28 -3.45 0.00 0.00 179.45 177.06 1hm3 h VAL 105 N 0.56 1.27 -0.10 2.00 2.07 -1.79 -1.82 116.25 118.44 1hm3 h VAL 105 Ca 0.06 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1hm3 h VAL 105 Cb 0.88 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1hm3 h VAL 105 CO 0.08 0.45 -0.09 0.15 0.02 0.00 0.00 177.57 178.17 1hm3 h PHE 106 N 0.72 -0.23 -0.57 1.57 3.57 -0.93 0.23 116.94 121.29 1hm3 h PHE 106 Ca 0.10 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.70 1hm3 h PHE 106 Cb 0.74 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 1hm3 h PHE 106 CO 0.04 -0.14 0.22 -0.44 -2.23 0.00 0.00 178.31 175.76 1hm3 h ASP 107 N -0.12 0.24 -0.63 0.41 3.32 -1.17 -0.44 116.42 118.03 1hm3 h ASP 107 Ca 0.07 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1hm3 h ASP 107 Cb 0.22 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1hm3 h ASP 107 CO -0.17 0.15 0.15 1.56 -1.72 0.00 0.00 179.24 179.22 1hm3 h GLN 108 N 0.41 1.03 -0.51 3.56 4.20 -0.57 0.07 115.11 123.31 1hm3 h GLN 108 Ca 0.28 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1hm3 h GLN 108 Cb 0.31 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1hm3 h GLN 108 CO -0.27 0.92 0.22 0.82 -0.67 0.00 0.00 178.83 179.84 1hm3 h ILE 109 N 0.98 1.21 -0.62 2.54 2.04 0.22 0.70 117.51 124.57 1hm3 h ILE 109 Ca 0.21 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1hm3 h ILE 109 Cb 0.35 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1hm3 h ILE 109 CO 0.00 0.24 0.37 0.28 0.00 0.00 0.00 178.15 179.04 1hm3 h SER 110 N 0.68 0.75 -0.63 1.72 0.02 -0.72 -1.34 113.55 114.03 1hm3 h SER 110 Ca 0.17 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1hm3 h SER 110 Cb 0.17 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1hm3 h SER 110 CO -0.02 0.60 0.28 0.11 -1.14 0.00 0.00 176.83 176.66 1hm3 h LYS 111 N 0.84 0.92 -0.68 3.45 6.56 -0.51 -0.46 116.57 126.69 1hm3 h LYS 111 Ca 0.22 -0.15 -0.05 0.00 -1.06 0.00 0.00 60.65 59.61 1hm3 h LYS 111 Cb -0.01 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.46 1hm3 h LYS 111 CO -0.04 0.75 0.22 0.00 -2.06 0.00 0.00 179.45 178.32 1hm3 h ALA 112 N 1.12 1.11 -0.09 3.86 0.00 -0.52 -0.13 119.26 124.60 1hm3 h ALA 112 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1hm3 h ALA 112 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1hm3 h ALA 112 CO -0.02 0.62 -0.01 0.74 0.00 0.00 0.00 179.25 180.57 1hm3 h PHE 113 N 1.00 0.18 -1.01 0.00 0.05 -0.96 -2.23 116.94 113.98 1hm3 h PHE 113 Ca 0.22 -0.03 0.09 0.00 3.82 0.00 0.00 57.97 62.07 1hm3 h PHE 113 Cb 0.27 -0.05 -0.08 0.00 2.00 0.00 0.00 35.95 38.10 1hm3 h PHE 113 CO 0.02 0.44 0.64 -0.22 -0.18 0.00 0.00 178.31 179.01 1hm3 h LYS 114 N -0.14 1.06 -0.56 1.51 1.63 -0.74 0.52 116.57 119.85 1hm3 h LYS 114 Ca 0.02 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.66 1hm3 h LYS 114 Cb 0.38 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1hm3 h LYS 114 CO 0.01 0.70 -0.05 -0.92 -3.45 0.00 0.00 179.45 175.74 1hm3 h TYR 115 N 1.10 1.12 -0.61 1.91 3.20 -0.92 -0.45 116.97 122.33 1hm3 h TYR 115 Ca 0.46 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1hm3 h TYR 115 Cb 0.32 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1hm3 h TYR 115 CO -0.00 1.02 0.28 2.35 -1.64 0.00 0.00 178.16 180.17 1hm3 h TRP 116 N 0.90 0.89 0.31 -3.82 2.91 -0.59 0.09 115.95 116.64 1hm3 h TRP 116 Ca 0.15 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 1hm3 h TRP 116 Cb 0.61 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.99 1hm3 h TRP 116 CO 0.04 0.69 -0.15 -0.92 -1.03 0.00 0.00 178.44 177.08 1hm3 h TYR 117 N 0.84 -0.38 -0.97 2.65 3.20 -0.68 -0.41 116.97 121.22 1hm3 h TYR 117 Ca 0.21 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.10 1hm3 h TYR 117 Cb 0.15 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1hm3 h TYR 117 CO 0.00 -0.20 0.64 -0.44 -1.64 0.00 0.00 178.16 176.52 1hm3 h ASP 118 N -0.47 1.07 0.77 -2.11 3.45 -0.92 -2.85 116.42 115.36 1hm3 h ASP 118 Ca -0.04 -0.01 -0.18 0.00 0.43 0.00 0.00 57.03 57.23 1hm3 h ASP 118 Cb 0.36 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 1hm3 h ASP 118 CO 0.07 0.74 -0.83 -1.28 -1.57 0.00 0.00 179.24 176.37 1hm3 h SER 119 N 1.24 0.05 -6.99 6.45 0.87 -0.90 -3.48 113.55 110.80 1hm3 h SER 119 Ca 0.38 -0.04 -0.60 0.00 -1.23 0.00 0.00 61.79 60.29 1hm3 h SER 119 Cb -0.03 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1hm3 h SER 119 CO -0.11 0.86 -1.01 -0.67 -0.53 0.00 0.00 176.83 175.37 1hm3 n ASP 120 N -3.58 -3.94 -4.76 6.23 2.03 -0.17 -4.85 116.55 107.50 1hm3 n ASP 120 Ca -0.01 -1.30 -0.41 0.00 0.52 0.00 0.00 54.79 53.59 1hm3 n ASP 120 Cb 0.79 -1.56 -0.01 0.00 -0.72 0.00 0.00 41.12 39.62 1hm3 n ASP 120 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1hm3 s PRO 121 N -7.49 4.18 0.09 -0.67 0.02 -1.26 -5.03 135.00 124.84 1hm3 s PRO 121 Ca 0.48 2.47 0.04 0.00 0.02 0.00 0.00 61.00 64.01 1hm3 s PRO 121 Cb -0.27 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 1hm3 s PRO 121 CO 0.97 -0.48 -0.11 0.15 -0.33 0.00 0.00 177.00 177.19 1hm3 s LYS 122 N -1.29 0.82 0.17 5.54 1.02 -1.26 -5.01 119.74 119.73 1hm3 s LYS 122 Ca 0.56 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 55.54 1hm3 s LYS 122 Cb -0.45 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1hm3 s LYS 122 CO 0.54 0.12 0.15 0.45 -0.92 0.00 0.00 175.35 175.68 1hm3 s SER 123 N -2.14 5.56 0.29 2.83 0.15 -1.26 -4.29 113.70 114.83 1hm3 s SER 123 Ca 0.02 -0.13 0.25 0.00 0.70 0.00 0.00 55.95 56.79 1hm3 s SER 123 Cb -0.06 -1.46 0.99 0.00 -1.71 0.00 0.00 66.02 63.78 1hm3 s SER 123 CO 0.01 0.06 1.75 0.08 1.20 0.00 0.00 173.24 176.34 1hm3 h ARG 124 N 2.31 0.00 -4.96 5.44 0.11 -1.35 -3.40 114.38 112.52 1hm3 h ARG 124 Ca -0.48 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 58.92 1hm3 h ARG 124 Cb 1.20 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.10 1hm3 h ARG 124 CO 0.63 0.00 -0.11 1.21 0.10 0.00 0.00 179.97 181.80 1hm3 s ASN 125 N -4.52 6.22 0.44 0.08 3.84 -1.26 -4.96 114.94 114.78 1hm3 s ASN 125 Ca 0.05 -0.67 0.27 0.00 0.21 0.00 0.00 52.86 52.72 1hm3 s ASN 125 Cb 0.10 -2.25 1.33 0.00 -0.55 0.00 0.00 41.25 39.88 1hm3 s ASN 125 CO 0.45 -0.67 1.70 4.11 -2.79 0.00 0.00 177.10 179.91 1hm3 h TRP 126 N 8.80 0.47 -0.71 0.43 5.08 -1.96 -1.83 115.95 126.23 1hm3 h TRP 126 Ca -0.26 0.02 0.15 0.00 1.08 0.00 0.00 58.89 59.88 1hm3 h TRP 126 Cb 1.11 -0.13 -0.11 0.00 -3.00 0.00 0.00 29.16 27.03 1hm3 h TRP 126 CO 0.66 -0.06 0.16 2.35 -1.28 0.00 0.00 178.44 180.27 1hm3 h TRP 127 N 0.19 0.24 -0.55 0.12 7.01 -1.94 0.23 115.95 121.24 1hm3 h TRP 127 Ca 0.70 0.04 -0.08 0.00 2.11 0.00 0.00 58.89 61.67 1hm3 h TRP 127 Cb 2.17 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 29.21 1hm3 h TRP 127 CO -0.00 -0.08 0.05 0.45 -2.79 0.00 0.00 178.44 176.06 1hm3 h HIS 128 N 0.26 1.02 -0.00 2.65 3.86 -1.69 0.56 115.15 121.80 1hm3 h HIS 128 Ca 0.40 -0.16 -0.18 0.00 -1.16 0.00 0.00 60.37 59.26 1hm3 h HIS 128 Cb 0.66 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1hm3 h HIS 128 CO -0.27 0.91 -0.83 -0.91 0.86 0.00 0.00 177.93 177.69 1hm3 h ASN 129 N 0.83 0.17 0.07 2.45 2.35 -1.31 -0.93 115.58 119.22 1hm3 h ASN 129 Ca 0.16 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1hm3 h ASN 129 Cb 0.47 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1hm3 h ASN 129 CO 0.02 0.92 -1.55 -0.62 -1.65 0.00 0.00 177.43 174.55 1hm3 n GLU 130 N -3.65 0.41 0.06 0.81 1.02 0.68 -4.47 120.64 115.50 1hm3 n GLU 130 Ca -0.03 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1hm3 n GLU 130 Cb 0.78 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1hm3 n GLU 130 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1hm3 n ILE 131 N -1.99 0.75 0.30 -3.67 5.41 0.16 -4.51 119.36 115.81 1hm3 n ILE 131 Ca -0.01 0.25 -0.17 0.00 1.00 0.00 0.00 62.75 63.82 1hm3 n ILE 131 Cb 0.48 -1.20 -0.09 0.00 -0.71 0.00 0.00 39.64 38.12 1hm3 n ILE 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1hm3 h ALA 132 N 0.00 -0.91 0.13 -1.39 0.00 -1.46 -1.97 119.26 113.65 1hm3 h ALA 132 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hm3 h ALA 132 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1hm3 h ALA 132 CO 0.00 -1.04 -0.06 1.15 0.00 0.00 0.00 179.25 179.30 1hm3 h THR 133 N -0.88 0.88 -0.55 0.00 2.02 -1.44 -1.73 112.91 111.21 1hm3 h THR 133 Ca -0.06 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1hm3 h THR 133 Cb 0.74 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1hm3 h THR 133 CO 0.02 0.01 0.34 -0.65 0.37 0.00 0.00 175.52 175.61 1hm3 h PRO 134 N -0.20 0.74 -0.19 6.66 0.11 -1.78 -0.82 132.00 136.51 1hm3 h PRO 134 Ca -0.02 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1hm3 h PRO 134 Cb 0.16 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1hm3 h PRO 134 CO 0.03 0.51 0.06 1.96 -0.21 0.00 0.00 178.00 180.35 1hm3 h GLN 135 N 0.75 0.30 -0.16 1.05 4.20 -1.10 -0.68 115.11 119.47 1hm3 h GLN 135 Ca 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1hm3 h GLN 135 Cb -0.04 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1hm3 h GLN 135 CO -0.04 0.40 0.09 0.00 -0.67 0.00 0.00 178.83 178.61 1hm3 h ALA 136 N 0.88 0.20 -0.23 3.87 0.00 -0.93 0.12 119.26 123.19 1hm3 h ALA 136 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1hm3 h ALA 136 Cb 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1hm3 h ALA 136 CO -0.00 -0.26 -0.03 -0.07 0.00 0.00 0.00 179.25 178.88 1hm3 h LEU 137 N 0.16 -0.16 -0.72 0.00 4.07 -1.12 0.97 115.31 118.50 1hm3 h LEU 137 Ca 0.06 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.10 1hm3 h LEU 137 Cb 0.06 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1hm3 h LEU 137 CO -0.01 -0.05 0.46 1.23 -1.08 0.00 0.00 178.44 178.99 1hm3 h GLY 138 N 0.03 1.04 0.77 0.83 0.00 -0.76 -0.46 103.07 104.52 1hm3 h GLY 138 Ca 0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1hm3 h GLY 138 CO -0.21 0.32 0.01 0.83 0.00 0.00 0.00 176.54 177.48 1hm3 h GLU 139 N 0.92 0.07 -0.67 4.80 5.08 -0.16 -2.47 114.58 122.15 1hm3 h GLU 139 Ca 0.28 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1hm3 h GLU 139 Cb -0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1hm3 h GLU 139 CO -0.09 0.29 0.23 0.52 -1.00 0.00 0.00 179.01 178.96 1hm3 h MET 140 N -0.17 1.02 -0.43 2.33 2.86 -0.65 -1.96 114.93 117.94 1hm3 h MET 140 Ca 0.01 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 1hm3 h MET 140 Cb 0.26 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1hm3 h MET 140 CO 0.00 0.86 -0.13 -0.07 1.06 0.00 0.00 176.91 178.62 1hm3 h LEU 141 N 0.99 0.78 -0.47 1.22 3.38 -1.08 -2.17 115.31 117.94 1hm3 h LEU 141 Ca 0.22 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1hm3 h LEU 141 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1hm3 h LEU 141 CO -0.01 0.93 -0.08 0.40 0.09 0.00 0.00 178.44 179.76 1hm3 h ILE 142 N 0.70 1.27 -0.80 1.22 2.04 -1.09 -2.69 117.51 118.16 1hm3 h ILE 142 Ca 0.11 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1hm3 h ILE 142 Cb 0.62 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1hm3 h ILE 142 CO 0.04 0.41 0.52 -0.07 0.00 0.00 0.00 178.15 179.05 1hm3 h LEU 143 N 0.74 0.94 0.00 1.44 3.38 -1.19 -1.74 115.31 118.87 1hm3 h LEU 143 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1hm3 h LEU 143 Cb 0.62 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1hm3 h LEU 143 CO 0.04 0.69 0.00 0.23 0.09 0.00 0.00 178.44 179.49 1hm3 n MET 144 N -4.40 0.39 0.00 1.13 2.81 -0.83 -2.32 117.12 113.90 1hm3 n MET 144 Ca 0.09 0.07 0.14 0.00 -1.81 0.00 0.00 57.70 56.19 1hm3 n MET 144 Cb 0.04 -1.50 0.62 0.00 -0.71 0.00 0.00 33.22 31.67 1hm3 n MET 144 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1hm3 n ARG 145 N -1.15 1.00 -0.55 0.03 1.74 -0.65 -3.76 116.66 113.32 1hm3 n ARG 145 Ca 0.10 -0.40 0.07 0.00 -0.77 0.00 0.00 57.85 56.85 1hm3 n ARG 145 Cb 0.10 -1.49 0.18 0.00 -1.02 0.00 0.00 32.46 30.23 1hm3 n ARG 145 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1hm3 n TYR 146 N -0.65 0.00 -3.58 -1.55 4.02 -0.98 -5.04 117.16 109.38 1hm3 n TYR 146 Ca 0.17 -1.33 -0.23 0.00 -0.01 0.00 0.00 57.90 56.50 1hm3 n TYR 146 Cb 0.28 -0.22 0.01 0.00 -0.02 0.00 0.00 39.34 39.38 1hm3 n TYR 146 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1hm3 s GLY 147 N -3.07 2.15 0.00 2.72 0.00 -1.25 -4.87 107.32 103.00 1hm3 s GLY 147 Ca 0.36 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1hm3 s GLY 147 CO -0.06 -1.82 0.99 0.28 0.00 0.00 0.00 173.10 172.50 1hm3 n LYS 148 N -1.84 0.00 -4.38 2.90 4.01 -1.26 -4.60 118.16 112.98 1hm3 n LYS 148 Ca 0.04 0.85 -0.32 0.00 -0.51 0.00 0.00 58.31 58.37 1hm3 n LYS 148 Cb 0.63 -1.49 -0.10 0.00 -0.51 0.00 0.00 35.03 33.56 1hm3 n LYS 148 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1hm3 s LYS 149 N -2.98 2.56 0.34 1.97 -2.85 -1.26 -5.10 119.74 112.41 1hm3 s LYS 149 Ca 0.00 -0.74 -0.27 0.00 -1.00 0.00 0.00 55.97 53.96 1hm3 s LYS 149 Cb 0.00 -2.52 -0.09 0.00 -2.06 0.00 0.00 37.83 33.16 1hm3 s LYS 149 CO 0.00 0.59 1.09 -2.14 0.10 0.00 0.00 175.35 174.99 1hm3 s PRO 150 N -1.57 4.40 0.83 1.78 0.02 -1.26 -5.01 135.00 134.19 1hm3 s PRO 150 Ca 0.18 1.70 -0.12 0.00 0.02 0.00 0.00 61.00 62.78 1hm3 s PRO 150 Cb -0.11 -2.90 0.10 0.00 0.02 0.00 0.00 34.50 31.61 1hm3 s PRO 150 CO 0.09 0.03 1.17 -0.51 -0.33 0.00 0.00 177.00 177.45 1hm3 s LEU 151 N -1.99 3.05 -0.03 -5.54 1.43 -1.26 -4.84 118.68 109.50 1hm3 s LEU 151 Ca 0.51 2.25 -0.33 0.00 -1.03 0.00 0.00 54.13 55.53 1hm3 s LEU 151 Cb -0.28 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.25 1hm3 s LEU 151 CO 0.36 -2.72 1.87 -0.67 0.23 0.00 0.00 176.35 175.42 1hm3 n ASP 152 N -3.58 3.59 0.18 2.29 2.03 -1.26 -4.82 116.55 114.97 1hm3 n ASP 152 Ca 0.12 0.97 0.18 0.00 0.52 0.00 0.00 54.79 56.58 1hm3 n ASP 152 Cb 0.51 -1.42 0.80 0.00 -0.72 0.00 0.00 41.12 40.30 1hm3 n ASP 152 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1hm3 h GLU 153 N 9.09 0.00 0.03 -0.67 4.11 -1.99 0.60 114.58 125.76 1hm3 h GLU 153 Ca -0.48 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.73 1hm3 h GLU 153 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1hm3 h GLU 153 CO 0.94 0.00 -0.98 0.00 0.07 0.00 0.00 179.01 179.04 1hm3 h ALA 154 N 1.73 0.40 -0.20 1.06 0.00 -1.99 -1.66 119.26 118.60 1hm3 h ALA 154 Ca 0.11 -0.80 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 1hm3 h ALA 154 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1hm3 h ALA 154 CO -0.00 1.00 -0.28 1.25 0.00 0.00 0.00 179.25 181.22 1hm3 h LEU 155 N 0.07 0.59 -1.03 0.00 5.85 -1.32 -2.40 115.31 117.07 1hm3 h LEU 155 Ca -0.05 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1hm3 h LEU 155 Cb 1.66 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.48 1hm3 h LEU 155 CO 0.15 0.99 0.51 0.58 -0.34 0.00 0.00 178.44 180.33 1hm3 h VAL 156 N 0.20 1.24 -0.44 1.05 2.07 -1.11 -1.10 116.25 118.16 1hm3 h VAL 156 Ca 0.02 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1hm3 h VAL 156 Cb 0.86 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1hm3 h VAL 156 CO 0.07 0.26 -0.08 -0.74 0.02 0.00 0.00 177.57 177.09 1hm3 h HIS 157 N 1.20 0.94 -0.80 1.57 -0.00 -1.25 -1.23 115.15 115.58 1hm3 h HIS 157 Ca 0.31 -0.19 -0.02 0.00 -0.00 0.00 0.00 60.37 60.47 1hm3 h HIS 157 Cb -0.04 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.10 1hm3 h HIS 157 CO 0.01 0.93 0.41 0.87 -0.00 0.00 0.00 177.93 180.15 1hm3 h LYS 158 N 0.67 1.12 -0.40 5.26 1.57 -0.99 -1.88 116.57 121.91 1hm3 h LYS 158 Ca 0.11 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1hm3 h LYS 158 Cb 0.62 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1hm3 h LYS 158 CO 0.04 0.84 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.52 1hm3 h LEU 159 N 1.12 0.85 -1.03 2.94 3.38 -0.97 -1.75 115.31 119.85 1hm3 h LEU 159 Ca 0.28 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1hm3 h LEU 159 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1hm3 h LEU 159 CO -0.04 1.05 -0.17 0.71 0.09 0.00 0.00 178.44 180.08 1hm3 h THR 160 N 0.64 1.24 -0.41 0.22 1.35 -1.02 -1.69 112.91 113.25 1hm3 h THR 160 Ca 0.09 -1.11 -0.10 0.00 -0.55 0.00 0.00 66.41 64.74 1hm3 h THR 160 Cb 0.72 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1hm3 h THR 160 CO 0.05 0.36 -0.15 -0.33 -0.25 0.00 0.00 175.52 175.21 1hm3 h GLU 161 N 0.46 0.77 0.00 4.72 4.39 -1.20 -1.21 114.58 122.50 1hm3 h GLU 161 Ca 0.08 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1hm3 h GLU 161 Cb 0.56 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1hm3 h GLU 161 CO 0.04 0.87 0.00 -0.09 -1.16 0.00 0.00 179.01 178.67 1hm3 h ARG 162 N 0.69 0.00 0.00 2.33 9.65 -0.66 -1.79 114.38 124.60 1hm3 h ARG 162 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1hm3 h ARG 162 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1hm3 h ARG 162 CO 0.04 0.00 0.00 -1.33 2.80 0.00 0.00 179.97 181.48 1hm3 n MET 163 N -2.45 0.07 -1.59 0.20 2.81 -0.46 -4.45 117.12 111.26 1hm3 n MET 163 Ca 0.01 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 1hm3 n MET 163 Cb 0.22 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.22 1hm3 n MET 163 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1hm3 n LYS 164 N -1.46 2.64 -3.70 0.03 5.02 -0.67 -4.80 118.16 115.21 1hm3 n LYS 164 Ca 0.08 -2.43 -0.21 0.00 -2.02 0.00 0.00 58.31 53.74 1hm3 n LYS 164 Cb 0.32 -3.19 -0.18 0.00 -0.02 0.00 0.00 35.03 31.97 1hm3 n LYS 164 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1hm3 s ARG 165 N 3.47 0.11 0.00 1.97 0.52 -1.26 -5.07 118.95 118.69 1hm3 s ARG 165 Ca 0.50 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.01 1hm3 s ARG 165 Cb 0.14 -0.62 0.00 0.00 0.52 0.00 0.00 34.95 34.99 1hm3 s ARG 165 CO -0.05 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.37 1hm3 n GLY 166 N 5.21 2.45 2.95 -3.53 0.00 -1.26 -4.56 105.19 106.45 1hm3 n GLY 166 Ca -0.05 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1hm3 n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hm3 s GLU 167 N -5.09 1.70 0.32 1.61 2.02 -1.26 -5.03 118.70 112.98 1hm3 s GLU 167 Ca 0.00 -0.95 0.06 0.00 0.02 0.00 0.00 54.97 54.10 1hm3 s GLU 167 Cb 0.00 -2.53 0.72 0.00 0.10 0.00 0.00 34.13 32.41 1hm3 s GLU 167 CO 0.00 -0.56 1.84 -1.00 0.02 0.00 0.00 175.26 175.56 1hm3 h PRO 168 N 7.96 0.78 0.00 0.39 0.13 -1.91 -0.66 132.00 138.70 1hm3 h PRO 168 Ca -0.20 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1hm3 h PRO 168 Cb 1.08 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1hm3 h PRO 168 CO 0.42 0.52 0.00 0.93 -0.23 0.00 0.00 178.00 179.64 1hm3 h GLU 169 N 0.81 0.00 -0.02 0.86 3.07 -1.95 -0.62 114.58 116.73 1hm3 h GLU 169 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1hm3 h GLU 169 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1hm3 h GLU 169 CO -0.26 0.00 -0.08 1.63 -1.40 0.00 0.00 179.01 178.91 1hm3 n LYS 170 N -2.96 1.60 -4.51 2.33 4.76 -0.26 -4.93 118.16 114.19 1hm3 n LYS 170 Ca -0.01 -1.05 -0.24 0.00 -2.87 0.00 0.00 58.31 54.14 1hm3 n LYS 170 Cb 0.15 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 31.76 1hm3 n LYS 170 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1hm3 s LYS 171 N -2.12 1.74 0.18 1.97 -0.14 -0.24 -5.04 119.74 116.08 1hm3 s LYS 171 Ca 0.32 -1.93 0.09 0.00 -1.36 0.00 0.00 55.97 53.09 1hm3 s LYS 171 Cb 0.20 -1.40 -0.04 0.00 -1.68 0.00 0.00 37.83 34.91 1hm3 s LYS 171 CO 0.38 0.02 -0.18 0.95 -0.76 0.00 0.00 175.35 175.76 1hm3 s THR 172 N -2.86 1.84 0.00 2.17 -4.23 -1.26 -4.55 115.64 106.75 1hm3 s THR 172 Ca 0.33 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1hm3 s THR 172 Cb 0.05 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1hm3 s THR 172 CO 0.15 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1hm3 n GLY 173 N 0.13 2.84 0.30 3.99 0.00 -1.26 -1.80 105.19 109.39 1hm3 n GLY 173 Ca -0.12 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1hm3 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hm3 h ALA 174 N -0.30 2.00 -0.16 4.61 0.00 -1.95 0.59 119.26 124.05 1hm3 h ALA 174 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1hm3 h ALA 174 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1hm3 h ALA 174 CO 0.00 -0.04 -0.57 -0.91 0.00 0.00 0.00 179.25 177.72 1hm3 h ASN 175 N 0.21 0.57 -0.20 0.00 2.35 -1.75 -1.41 115.58 115.34 1hm3 h ASN 175 Ca 0.12 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 1hm3 h ASN 175 Cb 0.20 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1hm3 h ASN 175 CO -0.02 1.02 -0.19 0.50 -1.65 0.00 0.00 177.43 177.09 1hm3 h LYS 176 N 0.38 0.49 -0.40 0.81 3.64 -0.83 -2.43 116.57 118.23 1hm3 h LYS 176 Ca 0.00 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1hm3 h LYS 176 Cb 1.12 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1hm3 h LYS 176 CO 0.10 0.83 0.22 1.79 -2.27 0.00 0.00 179.45 180.12 1hm3 h THR 177 N 0.17 1.16 -0.55 1.00 1.35 -0.93 -0.10 112.91 115.00 1hm3 h THR 177 Ca 0.03 -0.41 0.02 0.00 -0.55 0.00 0.00 66.41 65.50 1hm3 h THR 177 Cb 0.73 0.69 -0.03 0.00 -1.73 0.00 0.00 68.15 67.81 1hm3 h THR 177 CO 0.05 0.16 0.35 0.44 -0.25 0.00 0.00 175.52 176.27 1hm3 h ASP 178 N 0.52 0.58 -0.11 5.36 3.32 -1.26 0.45 116.42 125.29 1hm3 h ASP 178 Ca 0.14 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1hm3 h ASP 178 Cb 0.07 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1hm3 h ASP 178 CO -0.02 0.41 -0.02 0.40 -1.72 0.00 0.00 179.24 178.28 1hm3 h ILE 179 N 0.69 1.29 -0.62 0.35 2.04 -1.29 -2.65 117.51 117.33 1hm3 h ILE 179 Ca 0.22 -0.95 0.14 0.00 1.00 0.00 0.00 64.86 65.27 1hm3 h ILE 179 Cb -0.02 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1hm3 h ILE 179 CO -0.08 0.27 0.43 0.00 0.00 0.00 0.00 178.15 178.77 1hm3 h ALA 180 N 0.69 2.29 -0.40 1.87 0.00 -0.77 -1.65 119.26 121.29 1hm3 h ALA 180 Ca 0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hm3 h ALA 180 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1hm3 h ALA 180 CO 0.01 -0.46 0.25 1.25 0.00 0.00 0.00 179.25 180.31 1hm3 h LEU 181 N 0.21 0.43 -0.05 0.00 5.85 -0.53 -0.47 115.31 120.75 1hm3 h LEU 181 Ca 0.30 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1hm3 h LEU 181 Cb 0.88 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1hm3 h LEU 181 CO -0.05 0.31 0.00 1.12 -0.34 0.00 0.00 178.44 179.48 1hm3 h HIS 182 N 0.52 0.00 -0.08 1.25 2.07 -1.30 -1.87 115.15 115.73 1hm3 h HIS 182 Ca 0.15 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.53 1hm3 h HIS 182 Cb -0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.93 1hm3 h HIS 182 CO -0.06 0.00 -0.57 1.88 -3.07 0.00 0.00 177.93 176.12 1hm3 h TYR 183 N 0.00 0.31 0.03 6.12 0.99 -0.97 -0.87 116.97 122.58 1hm3 h TYR 183 Ca 0.00 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 1hm3 h TYR 183 Cb 0.82 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 38.50 1hm3 h TYR 183 CO 0.00 0.76 -0.01 0.35 -0.00 0.00 0.00 178.16 179.25 1hm3 h PHE 184 N 0.19 -0.03 0.02 4.88 3.57 -0.50 -0.46 116.94 124.60 1hm3 h PHE 184 Ca -0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1hm3 h PHE 184 Cb 1.06 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1hm3 h PHE 184 CO 0.02 0.18 -0.10 1.88 -2.23 0.00 0.00 178.31 178.06 1hm3 h TYR 185 N -0.25 -0.25 -0.86 0.41 0.99 -1.17 -2.44 116.97 113.41 1hm3 h TYR 185 Ca -0.00 0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.80 1hm3 h TYR 185 Cb 0.23 0.11 -0.06 0.00 1.00 0.00 0.00 36.73 38.01 1hm3 h TYR 185 CO -0.00 -0.15 0.56 -0.09 -0.00 0.00 0.00 178.16 178.48 1hm3 h ARG 186 N -0.18 0.93 -0.10 4.88 2.43 -1.09 -0.56 114.38 120.68 1hm3 h ARG 186 Ca 0.03 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1hm3 h ARG 186 Cb 0.21 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1hm3 h ARG 186 CO -0.08 0.61 -0.25 0.00 -1.51 0.00 0.00 179.97 178.74 1hm3 h ALA 187 N 1.53 1.39 0.09 2.80 0.00 -0.69 -0.43 119.26 123.96 1hm3 h ALA 187 Ca 0.37 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 1hm3 h ALA 187 Cb 0.22 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.96 1hm3 h ALA 187 CO -0.14 0.43 -1.12 -0.07 0.00 0.00 0.00 179.25 178.36 1hm3 h LEU 188 N 0.17 0.82 -1.16 0.00 3.38 -0.82 -0.40 115.31 117.29 1hm3 h LEU 188 Ca 0.03 -0.81 -0.08 0.00 0.09 0.00 0.00 57.88 57.10 1hm3 h LEU 188 Cb 0.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1hm3 h LEU 188 CO 0.04 1.55 -0.35 -0.07 0.09 0.00 0.00 178.44 179.69 1hm3 h LEU 189 N 0.20 0.12 -2.83 1.67 3.38 -0.90 -3.04 115.31 113.91 1hm3 h LEU 189 Ca -0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1hm3 h LEU 189 Cb 1.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1hm3 h LEU 189 CO 0.21 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.56 1hm3 n THR 190 N -4.09 1.04 -3.98 0.22 -2.24 -0.19 -4.98 114.28 100.05 1hm3 n THR 190 Ca -0.02 -1.02 -0.26 0.00 -2.27 0.00 0.00 64.05 60.49 1hm3 n THR 190 Cb 0.41 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 1hm3 n THR 190 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1hm3 n SER 191 N 1.13 -0.19 -4.13 3.42 7.64 -0.83 -4.92 113.62 115.74 1hm3 n SER 191 Ca 0.19 -1.03 -0.38 0.00 1.01 0.00 0.00 58.87 58.67 1hm3 n SER 191 Cb 0.55 -2.94 -0.08 0.00 -1.01 0.00 0.00 64.21 60.73 1hm3 n SER 191 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1hm3 s ASP 192 N -4.38 5.59 0.44 6.43 -1.08 -0.22 -4.94 116.67 118.52 1hm3 s ASP 192 Ca 0.00 -3.06 0.15 0.00 -0.52 0.00 0.00 52.55 49.12 1hm3 s ASP 192 Cb -0.00 -1.91 1.06 0.00 -1.46 0.00 0.00 42.92 40.61 1hm3 s ASP 192 CO 0.90 -0.34 1.98 -0.33 0.52 0.00 0.00 175.17 177.89 1hm3 h GLU 193 N 6.85 0.36 -0.43 4.34 4.39 -1.91 0.01 114.58 128.20 1hm3 h GLU 193 Ca 0.04 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1hm3 h GLU 193 Cb 0.93 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1hm3 h GLU 193 CO 0.75 0.24 0.02 0.00 -1.16 0.00 0.00 179.01 178.85 1hm3 h ALA 194 N 1.70 0.57 -0.30 3.43 0.00 -1.96 -0.52 119.26 122.18 1hm3 h ALA 194 Ca 0.28 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1hm3 h ALA 194 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1hm3 h ALA 194 CO -0.08 0.34 -0.23 1.25 0.00 0.00 0.00 179.25 180.54 1hm3 h LEU 195 N 0.58 0.58 -0.02 0.00 6.46 -1.68 -2.28 115.31 118.95 1hm3 h LEU 195 Ca 0.12 -0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1hm3 h LEU 195 Cb 0.46 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1hm3 h LEU 195 CO 0.02 0.80 0.01 0.25 -0.62 0.00 0.00 178.44 178.90 1hm3 h LEU 196 N 0.51 0.03 -1.11 2.25 5.85 -0.57 0.96 115.31 123.23 1hm3 h LEU 196 Ca 0.08 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1hm3 h LEU 196 Cb 0.67 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1hm3 h LEU 196 CO 0.05 0.15 0.16 0.28 -0.34 0.00 0.00 178.44 178.73 1hm3 h SER 197 N -0.09 0.73 0.44 1.25 0.02 -1.02 -1.19 113.55 113.69 1hm3 h SER 197 Ca 0.01 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1hm3 h SER 197 Cb 0.12 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1hm3 h SER 197 CO -0.00 0.70 -0.21 0.15 -1.14 0.00 0.00 176.83 176.32 1hm3 h PHE 198 N 0.77 -0.55 -0.26 3.45 3.57 -1.12 -2.15 116.94 120.66 1hm3 h PHE 198 Ca 0.18 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1hm3 h PHE 198 Cb 0.24 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 1hm3 h PHE 198 CO 0.01 -0.27 -0.22 0.00 -2.23 0.00 0.00 178.31 175.61 1hm3 h ALA 199 N -0.26 -0.08 -0.52 2.41 0.00 -0.54 -0.61 119.26 119.66 1hm3 h ALA 199 Ca -0.06 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1hm3 h ALA 199 Cb 0.53 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1hm3 h ALA 199 CO 0.10 -0.64 0.22 0.28 0.00 0.00 0.00 179.25 179.21 1hm3 h VAL 200 N -0.22 0.87 -0.72 0.00 2.07 -1.24 -0.69 116.25 116.32 1hm3 h VAL 200 Ca 0.14 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1hm3 h VAL 200 Cb 0.43 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1hm3 h VAL 200 CO -0.38 0.08 0.38 0.50 0.02 0.00 0.00 177.57 178.16 1hm3 h LYS 201 N 0.42 1.01 -0.47 1.57 3.64 -0.78 -1.49 116.57 120.47 1hm3 h LYS 201 Ca 0.25 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1hm3 h LYS 201 Cb 0.23 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1hm3 h LYS 201 CO -0.22 0.77 -0.19 0.93 -2.27 0.00 0.00 179.45 178.47 1hm3 h GLU 202 N 0.99 0.94 -0.46 1.90 4.39 -0.57 -1.33 114.58 120.44 1hm3 h GLU 202 Ca 0.25 -0.38 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 1hm3 h GLU 202 Cb 0.06 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1hm3 h GLU 202 CO -0.04 1.04 -0.25 1.25 -1.16 0.00 0.00 179.01 179.86 1hm3 h LEU 203 N 0.82 1.01 -0.26 1.33 6.46 -0.94 -3.00 115.31 120.74 1hm3 h LEU 203 Ca 0.11 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1hm3 h LEU 203 Cb 0.75 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1hm3 h LEU 203 CO 0.06 1.20 -0.10 0.49 -0.62 0.00 0.00 178.44 179.47 1hm3 n PHE 204 N -4.12 0.00 0.02 1.25 0.99 -0.58 -4.20 117.46 110.83 1hm3 n PHE 204 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.34 1hm3 n PHE 204 Cb 0.47 -0.16 -0.05 0.00 -1.00 0.00 0.00 39.48 38.75 1hm3 n PHE 204 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1hm3 h TYR 205 N 0.62 -0.18 0.00 1.38 3.20 -1.08 -2.47 116.97 118.44 1hm3 h TYR 205 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1hm3 h TYR 205 Cb 0.34 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1hm3 h TYR 205 CO 0.00 -0.12 0.00 -2.30 -1.64 0.00 0.00 178.16 174.10 1hm3 n PRO 206 N -5.20 0.00 -1.26 1.82 -0.02 -1.26 -3.98 135.00 125.11 1hm3 n PRO 206 Ca -0.05 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.47 1hm3 n PRO 206 Cb 0.13 -1.51 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 1hm3 n PRO 206 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1hm3 n VAL 207 N -1.51 3.35 -3.50 -1.45 0.31 -0.93 -4.41 118.33 110.18 1hm3 n VAL 207 Ca 0.01 -2.29 -0.13 0.00 -0.01 0.00 0.00 64.34 61.93 1hm3 n VAL 207 Cb 0.07 -2.46 -0.04 0.00 -0.91 0.00 0.00 33.84 30.50 1hm3 n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hm3 s GLN 208 N 3.08 1.17 0.10 5.55 -2.07 -1.26 -4.82 119.66 121.41 1hm3 s GLN 208 Ca 0.56 -0.39 -0.29 0.00 -1.82 0.00 0.00 55.36 53.41 1hm3 s GLN 208 Cb 0.15 0.53 -0.06 0.00 -1.09 0.00 0.00 33.01 32.54 1hm3 s GLN 208 CO -0.04 -0.47 0.91 -0.06 -1.32 0.00 0.00 175.29 174.31 1hm3 s PHE 209 N -3.23 3.81 0.13 9.60 0.40 -1.26 -4.15 117.98 123.27 1hm3 s PHE 209 Ca -0.01 1.73 0.04 0.00 -0.60 0.00 0.00 56.93 58.09 1hm3 s PHE 209 Cb -0.00 -2.99 -0.04 0.00 0.51 0.00 0.00 43.02 40.49 1hm3 s PHE 209 CO -0.08 0.24 -0.11 0.14 0.70 0.00 0.00 175.22 176.11 1hm3 s VAL 210 N -0.10 1.12 -0.48 -0.44 -7.23 -0.08 -4.96 120.40 108.23 1hm3 s VAL 210 Ca 0.44 -1.87 -0.16 0.00 -1.81 0.00 0.00 61.98 58.59 1hm3 s VAL 210 Cb -0.23 -1.64 0.08 0.00 0.56 0.00 0.00 36.38 35.15 1hm3 s VAL 210 CO 0.28 -0.63 0.41 -2.28 -0.31 0.00 0.00 175.10 172.57 1hm3 s HIS 211 N -2.85 3.24 0.00 2.82 2.46 -1.26 -3.82 115.29 115.88 1hm3 s HIS 211 Ca 0.12 -0.94 0.00 0.00 0.47 0.00 0.00 55.06 54.71 1hm3 s HIS 211 Cb -0.00 -3.21 0.00 0.00 -0.13 0.00 0.00 32.58 29.23 1hm3 s HIS 211 CO 0.01 -0.81 0.00 0.66 -2.47 0.00 0.00 174.74 172.12 1hm3 n TYR 212 N 5.22 0.00 -1.49 3.88 4.02 -1.26 -4.92 117.16 122.62 1hm3 n TYR 212 Ca -0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.46 1hm3 n TYR 212 Cb 0.43 -0.57 0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1hm3 n TYR 212 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1hm3 s GLU 213 N 0.00 2.62 0.27 -0.72 -1.05 -1.26 -4.22 118.70 114.34 1hm3 s GLU 213 Ca 0.00 0.96 -0.29 0.00 -0.15 0.00 0.00 54.97 55.49 1hm3 s GLU 213 Cb 0.00 -1.95 -0.14 0.00 -0.44 0.00 0.00 34.13 31.59 1hm3 s GLU 213 CO 0.00 -1.32 1.02 0.39 0.95 0.00 0.00 175.26 176.30 1hm3 n GLU 214 N -3.28 1.29 0.00 -4.83 1.02 -1.26 -4.78 120.64 108.79 1hm3 n GLU 214 Ca 0.08 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1hm3 n GLU 214 Cb 0.54 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1hm3 n GLU 214 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hm3 n GLY 215 N 1.38 0.54 3.69 0.62 0.00 0.19 -4.80 105.19 106.81 1hm3 n GLY 215 Ca 0.11 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1hm3 n GLY 215 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hm3 s LEU 216 N 0.00 4.31 0.54 0.99 2.96 -1.26 -1.45 118.68 124.76 1hm3 s LEU 216 Ca 0.00 1.97 -0.00 0.00 -0.22 0.00 0.00 54.13 55.88 1hm3 s LEU 216 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.15 1hm3 s LEU 216 CO 0.00 -0.63 0.77 -1.10 -1.32 0.00 0.00 176.35 174.08 1hm3 s GLN 217 N 2.12 2.68 0.45 1.98 -1.52 -0.28 -0.91 119.66 124.19 1hm3 s GLN 217 Ca 0.60 -0.61 0.22 0.00 -1.95 0.00 0.00 55.36 53.62 1hm3 s GLN 217 Cb -0.28 -2.47 1.04 0.00 -0.22 0.00 0.00 33.01 31.08 1hm3 s GLN 217 CO 0.25 -0.63 1.90 1.88 -0.25 0.00 0.00 175.29 178.43 1hm3 h TYR 218 N 0.09 0.00 -0.29 0.91 -1.99 -1.87 -1.57 116.97 112.25 1hm3 h TYR 218 Ca -0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1hm3 h TYR 218 Cb 1.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.01 1hm3 h TYR 218 CO 0.40 0.24 0.00 -0.40 -0.00 0.00 0.00 178.16 178.40 1hm3 n ASP 219 N -3.63 1.64 -0.18 3.88 5.75 -1.26 -4.89 116.55 117.85 1hm3 n ASP 219 Ca -0.01 -2.01 -0.02 0.00 -0.01 0.00 0.00 54.79 52.73 1hm3 n ASP 219 Cb 0.37 -0.21 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 1hm3 n ASP 219 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1hm3 n TYR 220 N 0.36 0.00 -2.06 2.11 4.02 -0.59 -4.85 117.16 116.15 1hm3 n TYR 220 Ca 0.10 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.71 1hm3 n TYR 220 Cb 0.26 -1.20 0.11 0.00 -0.02 0.00 0.00 39.34 38.50 1hm3 n TYR 220 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1hm3 s SER 221 N -2.21 4.17 -0.05 7.72 1.04 -1.26 -4.78 113.70 118.33 1hm3 s SER 221 Ca 0.00 0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1hm3 s SER 221 Cb 0.00 -0.82 0.02 0.00 0.10 0.00 0.00 66.02 65.32 1hm3 s SER 221 CO 0.00 -2.06 -0.07 -0.47 0.98 0.00 0.00 173.24 171.62 1hm3 s TYR 222 N -3.53 1.00 0.02 5.02 5.04 -1.26 -1.12 117.35 122.52 1hm3 s TYR 222 Ca 0.65 -0.33 0.07 0.00 -2.44 0.00 0.00 57.07 55.03 1hm3 s TYR 222 Cb -0.08 -0.82 -0.02 0.00 0.35 0.00 0.00 41.96 41.39 1hm3 s TYR 222 CO 0.48 -0.23 -0.21 -0.51 -1.34 0.00 0.00 175.55 173.74 1hm3 s LEU 223 N 0.86 2.13 -0.14 6.97 1.43 -0.53 0.15 118.68 129.55 1hm3 s LEU 223 Ca -0.12 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1hm3 s LEU 223 Cb -0.15 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.08 1hm3 s LEU 223 CO 0.01 0.20 0.37 -1.58 0.23 0.00 0.00 176.35 175.58 1hm3 s GLN 224 N -0.96 0.41 -0.14 1.70 2.00 -0.85 0.54 119.66 122.35 1hm3 s GLN 224 Ca 0.08 0.54 -0.00 0.00 -2.00 0.00 0.00 55.36 53.98 1hm3 s GLN 224 Cb -0.09 0.17 0.00 0.00 0.80 0.00 0.00 33.01 33.89 1hm3 s GLN 224 CO 0.01 -0.07 0.14 0.72 -0.50 0.00 0.00 175.29 175.59 1hm3 n HIS 225 N 3.09 -0.58 -3.11 1.67 8.25 -1.26 -4.24 115.22 119.03 1hm3 n HIS 225 Ca -0.15 0.22 0.03 0.00 -0.26 0.00 0.00 57.72 57.56 1hm3 n HIS 225 Cb 0.57 -2.01 -0.01 0.00 1.12 0.00 0.00 29.99 29.66 1hm3 n HIS 225 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hm3 n GLY 226 N -1.14 -1.81 2.65 -1.41 0.00 -1.26 -3.88 105.19 98.34 1hm3 n GLY 226 Ca 0.00 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1hm3 n GLY 226 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hm3 n PRO 227 N -1.26 2.96 -4.34 1.61 -0.04 -1.26 -4.64 135.00 128.03 1hm3 n PRO 227 Ca 0.00 -2.43 -0.34 0.00 -0.04 0.00 0.00 63.50 60.69 1hm3 n PRO 227 Cb 0.08 -3.13 -0.14 0.00 -0.04 0.00 0.00 33.50 30.27 1hm3 n PRO 227 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1hm3 s GLN 228 N 3.07 3.34 -0.20 0.54 0.74 -1.25 -1.02 119.66 124.87 1hm3 s GLN 228 Ca 0.53 -0.68 -0.39 0.00 0.05 0.00 0.00 55.36 54.88 1hm3 s GLN 228 Cb 0.15 -2.78 -0.15 0.00 1.10 0.00 0.00 33.01 31.33 1hm3 s GLN 228 CO -0.07 -0.01 1.72 -0.11 -0.55 0.00 0.00 175.29 176.28 1hm3 n LEU 229 N 4.18 2.51 -3.06 3.68 7.94 -1.26 -2.01 117.00 128.97 1hm3 n LEU 229 Ca -0.19 1.06 -0.16 0.00 -1.11 0.00 0.00 56.01 55.62 1hm3 n LEU 229 Cb 0.52 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.28 1hm3 n LEU 229 CO 0.29 -0.43 -0.08 0.00 -1.11 0.00 0.00 177.39 176.06 1hm3 n GLN 230 N 5.25 0.99 -0.17 1.96 1.13 0.12 -4.50 117.38 122.16 1hm3 n GLN 230 Ca 0.25 -3.01 -0.08 0.00 -1.94 0.00 0.00 57.00 52.21 1hm3 n GLN 230 Cb 0.17 -1.52 0.01 0.00 0.11 0.00 0.00 30.24 29.00 1hm3 n GLN 230 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1hm3 h ILE 231 N 1.53 1.22 -0.78 5.09 1.08 -1.64 -1.59 117.51 122.42 1hm3 h ILE 231 Ca 0.04 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1hm3 h ILE 231 Cb 1.01 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 1hm3 h ILE 231 CO 0.41 0.26 0.00 -0.24 -0.69 0.00 0.00 178.15 177.89 1hm3 n SER 232 N -4.54 0.00 0.00 1.72 2.88 -0.56 -3.75 113.62 109.37 1hm3 n SER 232 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1hm3 n SER 232 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1hm3 n SER 232 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1hm3 n SER 233 N 0.00 0.00 -0.09 -3.46 2.88 -1.24 -0.40 113.62 111.30 1hm3 n SER 233 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1hm3 n SER 233 Cb 0.00 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 1hm3 n SER 233 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1hm3 h TYR 234 N 0.00 0.62 0.00 0.66 -1.99 -1.91 -0.27 116.97 114.09 1hm3 h TYR 234 Ca 0.00 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 1hm3 h TYR 234 Cb 0.00 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 1hm3 h TYR 234 CO 0.00 0.36 -0.18 0.78 -0.00 0.00 0.00 178.16 179.12 1hm3 h GLY 235 N 0.64 0.00 1.51 3.88 0.00 0.33 0.29 103.07 109.72 1hm3 h GLY 235 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.38 1hm3 h GLY 235 CO -0.07 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 175.75 1hm3 h ALA 236 N 1.82 0.56 -0.42 3.60 0.00 -1.03 -1.08 119.26 122.70 1hm3 h ALA 236 Ca -0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 1hm3 h ALA 236 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1hm3 h ALA 236 CO 0.02 0.74 -0.22 0.28 0.00 0.00 0.00 179.25 180.08 1hm3 h VAL 237 N 0.33 1.28 -0.06 0.00 2.07 -0.74 -0.38 116.25 118.74 1hm3 h VAL 237 Ca -0.03 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.16 1hm3 h VAL 237 Cb 1.31 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1hm3 h VAL 237 CO 0.13 0.46 -0.17 0.15 0.02 0.00 0.00 177.57 178.16 1hm3 h PHE 238 N 0.71 -0.45 -0.30 1.57 3.57 -0.86 -0.39 116.94 120.80 1hm3 h PHE 238 Ca 0.09 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1hm3 h PHE 238 Cb 0.78 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1hm3 h PHE 238 CO 0.06 -0.25 0.02 0.82 -2.23 0.00 0.00 178.31 176.73 1hm3 h ILE 239 N -0.25 0.80 -0.06 1.41 2.04 -0.93 -1.67 117.51 118.85 1hm3 h ILE 239 Ca 0.07 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1hm3 h ILE 239 Cb 0.35 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1hm3 h ILE 239 CO -0.21 0.02 -0.17 0.74 0.00 0.00 0.00 178.15 178.53 1hm3 h THR 240 N 0.11 0.58 0.39 -0.27 2.02 -0.55 0.32 112.91 115.51 1hm3 h THR 240 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 1hm3 h THR 240 Cb 0.18 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1hm3 h THR 240 CO -0.22 0.00 -0.19 1.23 0.37 0.00 0.00 175.52 176.71 1hm3 h GLY 241 N -0.25 -0.55 1.02 2.16 0.00 -0.84 -2.31 103.07 102.30 1hm3 h GLY 241 Ca 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1hm3 h GLY 241 CO -0.20 -0.20 0.51 -2.08 0.00 0.00 0.00 176.54 174.56 1hm3 h VAL 242 N -0.57 1.24 -0.21 4.60 2.07 -1.28 -2.22 116.25 119.89 1hm3 h VAL 242 Ca -0.05 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1hm3 h VAL 242 Cb 0.43 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1hm3 h VAL 242 CO 0.09 0.26 0.09 0.25 0.02 0.00 0.00 177.57 178.28 1hm3 h LEU 243 N 1.19 0.29 -0.54 2.57 5.85 -0.87 -0.95 115.31 122.85 1hm3 h LEU 243 Ca 0.31 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 1hm3 h LEU 243 Cb -0.03 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1hm3 h LEU 243 CO -0.06 0.35 -0.39 0.07 -0.34 0.00 0.00 178.44 178.08 1hm3 h LYS 244 N 0.20 0.75 -0.24 1.25 2.10 -1.35 -2.10 116.57 117.18 1hm3 h LYS 244 Ca 0.07 -0.38 -0.02 0.00 -2.00 0.00 0.00 60.65 58.32 1hm3 h LYS 244 Cb 0.15 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1hm3 h LYS 244 CO -0.01 1.01 0.08 1.25 -2.00 0.00 0.00 179.45 179.78 1hm3 h LEU 245 N 0.61 0.35 -0.93 7.07 5.85 -1.31 0.13 115.31 127.09 1hm3 h LEU 245 Ca 0.05 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1hm3 h LEU 245 Cb 0.94 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1hm3 h LEU 245 CO 0.09 0.44 0.57 0.00 -0.34 0.00 0.00 178.44 179.20 1hm3 h ALA 246 N 0.92 1.32 -0.43 1.25 0.00 -1.12 -0.21 119.26 121.00 1hm3 h ALA 246 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1hm3 h ALA 246 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1hm3 h ALA 246 CO -0.00 0.26 0.12 -0.97 0.00 0.00 0.00 179.25 178.66 1hm3 h ASN 247 N 0.99 0.64 -0.42 0.00 -1.24 -0.96 -1.41 115.58 113.17 1hm3 h ASN 247 Ca 0.43 -0.22 -0.04 0.00 0.71 0.00 0.00 56.30 57.18 1hm3 h ASN 247 Cb 0.30 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1hm3 h ASN 247 CO -0.22 0.69 0.10 1.88 -1.29 0.00 0.00 177.43 178.59 1hm3 h TYR 248 N 0.56 0.70 -0.61 0.67 0.99 0.14 -3.23 116.97 116.19 1hm3 h TYR 248 Ca 0.14 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1hm3 h TYR 248 Cb 0.29 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 37.82 1hm3 h TYR 248 CO 0.01 0.66 0.00 1.33 -0.00 0.00 0.00 178.16 180.17 1hm3 n VAL 249 N -4.54 0.86 -1.75 -2.88 0.24 -0.20 -4.64 118.33 105.42 1hm3 n VAL 249 Ca -0.00 -0.83 -0.40 0.00 -2.04 0.00 0.00 64.34 61.07 1hm3 n VAL 249 Cb 0.21 0.39 0.02 0.00 -1.47 0.00 0.00 33.84 32.99 1hm3 n VAL 249 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1hm3 n ARG 250 N 1.27 2.05 -2.90 7.34 1.85 -0.54 -2.48 116.66 123.26 1hm3 n ARG 250 Ca 0.21 0.74 -0.19 0.00 -1.00 0.00 0.00 57.85 57.60 1hm3 n ARG 250 Cb 0.53 -2.57 0.03 0.00 -1.05 0.00 0.00 32.46 29.40 1hm3 n ARG 250 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1hm3 n ASP 251 N -0.32 -5.55 -4.05 2.89 8.00 -1.26 -4.94 116.55 111.32 1hm3 n ASP 251 Ca 0.07 -0.24 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 1hm3 n ASP 251 Cb 0.42 -4.39 -0.09 0.00 -0.02 0.00 0.00 41.12 37.04 1hm3 n ASP 251 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1hm3 s THR 252 N -3.09 0.18 -0.81 -3.53 -4.23 -1.03 -5.01 115.64 98.11 1hm3 s THR 252 Ca 0.26 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1hm3 s THR 252 Cb -0.11 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1hm3 s THR 252 CO 0.32 -0.80 0.89 -0.81 -0.54 0.00 0.00 174.62 173.67 1hm3 n PRO 253 N 0.02 0.00 0.00 3.99 -0.04 -1.26 -0.03 135.00 137.68 1hm3 n PRO 253 Ca -0.12 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 1hm3 n PRO 253 Cb 0.62 -1.60 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 1hm3 n PRO 253 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1hm3 n TYR 254 N -1.39 0.00 -1.57 0.54 4.02 -1.26 -5.00 117.16 112.50 1hm3 n TYR 254 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.44 1hm3 n TYR 254 Cb 0.10 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.40 1hm3 n TYR 254 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hm3 n ALA 255 N 0.67 -0.45 -1.76 -0.72 0.00 0.96 -4.89 120.51 114.32 1hm3 n ALA 255 Ca 0.13 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.54 1hm3 n ALA 255 Cb 0.52 -1.98 -0.00 0.00 0.00 0.00 0.00 19.45 17.99 1hm3 n ALA 255 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hm3 n LEU 256 N 1.26 4.56 -4.66 0.00 7.94 -1.26 -4.96 117.00 119.87 1hm3 n LEU 256 Ca 0.10 1.22 -0.30 0.00 -1.11 0.00 0.00 56.01 55.92 1hm3 n LEU 256 Cb 0.32 -1.60 0.16 0.00 0.53 0.00 0.00 43.42 42.84 1hm3 n LEU 256 CO 0.59 0.05 0.64 -0.94 -1.11 0.00 0.00 177.39 176.63 1hm3 s SER 257 N -0.14 2.90 0.16 1.96 1.04 -1.26 -4.78 113.70 113.58 1hm3 s SER 257 Ca 0.54 1.78 -0.11 0.00 0.48 0.00 0.00 55.95 58.63 1hm3 s SER 257 Cb -0.49 -2.38 0.04 0.00 0.10 0.00 0.00 66.02 63.29 1hm3 s SER 257 CO 0.63 -3.04 1.64 0.71 0.98 0.00 0.00 173.24 174.16 1hm3 h THR 258 N -1.83 1.26 0.09 2.02 1.35 -1.99 -0.92 112.91 112.89 1hm3 h THR 258 Ca -0.49 -1.02 0.01 0.00 -0.55 0.00 0.00 66.41 64.37 1hm3 h THR 258 Cb 1.28 0.85 -0.05 0.00 -1.73 0.00 0.00 68.15 68.51 1hm3 h THR 258 CO 0.49 0.37 -0.50 -0.33 -0.25 0.00 0.00 175.52 175.30 1hm3 h GLU 259 N 0.81 -0.66 -0.33 4.72 3.07 -2.00 -1.07 114.58 119.13 1hm3 h GLU 259 Ca 0.16 0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 1hm3 h GLU 259 Cb 0.45 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1hm3 h GLU 259 CO 0.02 -0.44 0.07 0.87 -1.40 0.00 0.00 179.01 178.13 1hm3 h LYS 260 N -0.68 0.48 -0.55 2.33 1.57 -1.85 -0.66 116.57 117.21 1hm3 h LYS 260 Ca -0.00 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1hm3 h LYS 260 Cb 0.70 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1hm3 h LYS 260 CO -0.28 0.45 0.05 1.25 -0.57 0.00 0.00 179.45 180.34 1hm3 h LEU 261 N 0.47 0.90 -0.39 2.94 7.12 -0.77 0.69 115.31 126.28 1hm3 h LEU 261 Ca 0.11 -0.28 -0.12 0.00 0.13 0.00 0.00 57.88 57.71 1hm3 h LEU 261 Cb 0.20 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.07 1hm3 h LEU 261 CO -0.00 0.96 -0.24 0.00 -0.13 0.00 0.00 178.44 179.03 1hm3 h ALA 262 N 0.97 0.56 -0.07 1.25 0.00 -0.74 0.28 119.26 121.51 1hm3 h ALA 262 Ca 0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1hm3 h ALA 262 Cb 0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1hm3 h ALA 262 CO 0.02 0.55 0.03 0.82 0.00 0.00 0.00 179.25 180.66 1hm3 h ILE 263 N 0.66 1.13 -0.35 0.00 2.04 -0.98 0.60 117.51 120.61 1hm3 h ILE 263 Ca 0.08 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1hm3 h ILE 263 Cb 0.81 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1hm3 h ILE 263 CO 0.07 0.11 0.23 0.15 0.00 0.00 0.00 178.15 178.71 1hm3 h PHE 264 N -0.04 0.44 -0.43 1.37 3.57 -0.78 -0.36 116.94 120.71 1hm3 h PHE 264 Ca 0.02 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1hm3 h PHE 264 Cb 0.16 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1hm3 h PHE 264 CO -0.02 0.29 0.21 1.03 -2.23 0.00 0.00 178.31 177.59 1hm3 h SER 265 N 0.47 0.29 -0.55 0.41 0.87 -0.25 -0.82 113.55 113.96 1hm3 h SER 265 Ca 0.13 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 1hm3 h SER 265 Cb -0.04 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1hm3 h SER 265 CO -0.03 0.21 -0.05 0.50 -0.53 0.00 0.00 176.83 176.93 1hm3 h LYS 266 N 0.42 1.01 -0.50 2.24 3.64 -0.60 -1.39 116.57 121.39 1hm3 h LYS 266 Ca 0.19 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1hm3 h LYS 266 Cb 0.11 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1hm3 h LYS 266 CO -0.14 1.03 0.29 -0.92 -2.27 0.00 0.00 179.45 177.44 1hm3 h TYR 267 N 0.89 0.67 -0.19 1.91 3.20 -0.70 0.24 116.97 122.98 1hm3 h TYR 267 Ca 0.15 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1hm3 h TYR 267 Cb 0.61 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1hm3 h TYR 267 CO 0.04 0.48 0.10 -0.92 -1.64 0.00 0.00 178.16 176.22 1hm3 h TYR 268 N 0.67 0.27 0.01 -3.82 -0.00 -0.99 -1.89 116.97 111.22 1hm3 h TYR 268 Ca 0.18 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.90 1hm3 h TYR 268 Cb 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 36.66 1hm3 h TYR 268 CO -0.02 0.26 -0.01 0.00 -0.00 0.00 0.00 178.16 178.38 1hm3 h ARG 269 N 0.20 -0.02 0.04 1.82 3.08 -1.12 0.14 114.38 118.52 1hm3 h ARG 269 Ca 0.07 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.89 1hm3 h ARG 269 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1hm3 h ARG 269 CO -0.01 0.77 -1.00 -0.44 -1.07 0.00 0.00 179.97 178.22 1hm3 h ASP 270 N -0.90 0.33 0.00 7.04 3.32 -0.64 -2.99 116.42 122.57 1hm3 h ASP 270 Ca -0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1hm3 h ASP 270 Cb 0.79 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1hm3 h ASP 270 CO 0.00 1.14 -0.73 -1.20 -1.72 0.00 0.00 179.24 176.73 1hm3 n SER 271 N -3.62 1.67 0.24 6.45 7.64 -0.77 -4.23 113.62 121.01 1hm3 n SER 271 Ca -0.05 0.39 -0.14 0.00 1.01 0.00 0.00 58.87 60.09 1hm3 n SER 271 Cb 0.88 -0.75 -0.07 0.00 -1.01 0.00 0.00 64.21 63.26 1hm3 n SER 271 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1hm3 h TYR 272 N -0.88 -0.60 -0.35 1.43 3.20 -1.43 -3.13 116.97 115.21 1hm3 h TYR 272 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1hm3 h TYR 272 Cb 0.73 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1hm3 h TYR 272 CO -0.32 -0.28 0.10 -0.07 -1.64 0.00 0.00 178.16 175.95 1hm3 h LEU 273 N -0.99 0.46 0.00 2.82 3.38 -0.78 -1.59 115.31 118.60 1hm3 h LEU 273 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1hm3 h LEU 273 Cb 0.59 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1hm3 h LEU 273 CO 0.11 0.46 0.00 0.29 0.09 0.00 0.00 178.44 179.39 1hm3 n LYS 274 N -4.36 0.27 0.00 1.13 5.02 -1.13 -1.78 118.16 117.31 1hm3 n LYS 274 Ca 0.02 0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1hm3 n LYS 274 Cb 0.17 -1.50 0.35 0.00 -0.02 0.00 0.00 35.03 34.03 1hm3 n LYS 274 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hm3 n ALA 275 N -1.30 3.24 -2.75 7.82 0.00 -0.60 -4.81 120.51 122.10 1hm3 n ALA 275 Ca 0.09 -0.34 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 1hm3 n ALA 275 Cb 0.17 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1hm3 n ALA 275 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hm3 s ILE 276 N -2.78 5.07 -0.31 0.00 1.01 -0.73 -0.92 121.20 122.54 1hm3 s ILE 276 Ca 0.17 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.81 1hm3 s ILE 276 Cb 0.18 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1hm3 s ILE 276 CO 0.61 0.38 0.15 -0.60 0.00 0.00 0.00 174.94 175.47 1hm3 s ARG 277 N 0.91 3.33 5.54 2.79 6.06 0.41 -4.88 118.95 133.11 1hm3 s ARG 277 Ca 0.06 -0.72 0.00 0.00 -2.50 0.00 0.00 55.73 52.57 1hm3 s ARG 277 Cb -0.13 -3.55 0.00 0.00 0.06 0.00 0.00 34.95 31.33 1hm3 s ARG 277 CO 0.03 -0.41 0.00 0.41 -2.50 0.00 0.00 175.30 172.83 1hm3 n GLY 278 N 4.97 1.32 0.20 8.12 0.00 -1.25 -1.32 105.19 117.24 1hm3 n GLY 278 Ca -0.14 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1hm3 n GLY 278 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hm3 n SER 279 N 10.46 1.49 -4.41 1.61 7.64 -1.26 -3.19 113.62 125.96 1hm3 n SER 279 Ca 0.00 -1.27 -0.33 0.00 1.01 0.00 0.00 58.87 58.28 1hm3 n SER 279 Cb 0.00 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 1hm3 n SER 279 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1hm3 s TYR 280 N -0.46 2.71 0.44 1.43 1.51 -0.43 -0.69 117.35 121.87 1hm3 s TYR 280 Ca 0.06 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.48 1hm3 s TYR 280 Cb 0.04 -1.71 -0.10 0.00 -0.11 0.00 0.00 41.96 40.08 1hm3 s TYR 280 CO 0.06 -0.03 0.98 1.41 -1.11 0.00 0.00 175.55 176.86 1hm3 s MET 281 N -0.22 4.12 0.08 -0.62 -2.45 -0.46 -0.45 119.30 119.31 1hm3 s MET 281 Ca 0.00 1.20 -0.31 0.00 -1.25 0.00 0.00 55.69 55.33 1hm3 s MET 281 Cb -0.13 -2.17 -0.08 0.00 1.25 0.00 0.00 34.83 33.69 1hm3 s MET 281 CO 0.03 -0.13 1.53 0.34 1.05 0.00 0.00 175.02 177.84 1hm3 s ASP 282 N -2.11 6.69 0.35 1.11 -1.08 -0.10 -4.88 116.67 116.65 1hm3 s ASP 282 Ca 0.63 2.40 0.26 0.00 -0.52 0.00 0.00 52.55 55.32 1hm3 s ASP 282 Cb -0.11 -2.57 1.20 0.00 -1.46 0.00 0.00 42.92 39.98 1hm3 s ASP 282 CO 0.15 -0.79 1.78 2.19 0.52 0.00 0.00 175.17 179.02 1hm3 h PHE 283 N 7.62 0.00 0.00 -5.34 -5.15 -1.95 -2.79 116.94 109.33 1hm3 h PHE 283 Ca -0.42 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.33 1hm3 h PHE 283 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.37 1hm3 h PHE 283 CO 0.72 0.00 -0.11 -0.91 -2.00 0.00 0.00 178.31 176.02 1hm3 h ASN 284 N 0.00 0.00 -0.46 -0.68 2.35 -1.96 -3.26 115.58 111.57 1hm3 h ASN 284 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hm3 h ASN 284 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1hm3 h ASN 284 CO 0.00 0.11 0.00 1.33 -1.65 0.00 0.00 177.43 177.22 1hm3 n VAL 285 N -3.47 1.58 -0.38 2.81 0.24 -1.05 -4.55 118.33 113.50 1hm3 n VAL 285 Ca -0.01 -1.27 0.11 0.00 -2.04 0.00 0.00 64.34 61.13 1hm3 n VAL 285 Cb 0.26 0.20 0.33 0.00 -1.47 0.00 0.00 33.84 33.16 1hm3 n VAL 285 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1hm3 n GLU 286 N 0.59 3.02 0.00 7.34 -0.58 -1.23 -1.49 120.64 128.28 1hm3 n GLU 286 Ca 0.20 -2.67 0.00 0.00 -0.42 0.00 0.00 57.16 54.27 1hm3 n GLU 286 Cb 0.71 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1hm3 n GLU 286 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hm3 n GLY 287 N 1.47 1.54 0.21 0.62 0.00 -1.26 -1.41 105.19 106.36 1hm3 n GLY 287 Ca 0.25 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.92 1hm3 n GLY 287 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1hm3 h ARG 288 N 0.00 0.00 0.00 1.61 0.11 -1.95 -2.47 114.38 111.67 1hm3 h ARG 288 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1hm3 h ARG 288 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1hm3 h ARG 288 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 1hm3 n GLY 289 N -0.08 -0.80 0.30 0.08 0.00 -0.50 -2.69 105.19 101.50 1hm3 n GLY 289 Ca 0.01 -0.09 0.20 0.00 0.00 0.00 0.00 46.02 46.14 1hm3 n GLY 289 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hm3 h VAL 290 N 0.00 0.00 -0.43 1.61 3.04 -1.26 -1.48 116.25 117.72 1hm3 h VAL 290 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1hm3 h VAL 290 Cb 0.13 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1hm3 h VAL 290 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.02 1hm3 n SER 291 N -3.00 2.46 -4.88 3.17 3.41 -1.10 -4.89 113.62 108.79 1hm3 n SER 291 Ca -0.01 -2.04 -0.36 0.00 -0.26 0.00 0.00 58.87 56.19 1hm3 n SER 291 Cb 0.16 -0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1hm3 n SER 291 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hm3 s ARG 292 N -1.46 3.53 0.36 4.33 0.52 -0.56 -4.60 118.95 121.07 1hm3 s ARG 292 Ca 0.30 -0.08 -0.28 0.00 -0.52 0.00 0.00 55.73 55.14 1hm3 s ARG 292 Cb 0.16 -3.15 -0.11 0.00 0.52 0.00 0.00 34.95 32.36 1hm3 s ARG 292 CO 0.19 0.72 1.49 -2.30 0.02 0.00 0.00 175.30 175.43 1hm3 n PRO 293 N 1.60 2.64 -0.47 3.54 -0.02 -1.26 -3.00 135.00 138.03 1hm3 n PRO 293 Ca -0.16 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1hm3 n PRO 293 Cb 0.54 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1hm3 n PRO 293 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1hm3 n ASP 294 N 0.78 0.00 -0.34 2.55 8.00 -1.26 -4.86 116.55 121.41 1hm3 n ASP 294 Ca 0.03 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.73 1hm3 n ASP 294 Cb 0.38 -1.94 0.42 0.00 -0.02 0.00 0.00 41.12 39.96 1hm3 n ASP 294 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1hm3 h ILE 295 N 0.00 0.47 0.00 0.53 6.09 -1.86 0.11 117.51 122.85 1hm3 h ILE 295 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1hm3 h ILE 295 Cb 0.00 -0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.22 1hm3 h ILE 295 CO 0.00 0.09 0.00 0.18 -3.07 0.00 0.00 178.15 175.35 1hm3 n LEU 296 N -4.91 0.00 -4.61 2.19 4.77 -1.26 -4.67 117.00 108.51 1hm3 n LEU 296 Ca 0.28 0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 56.22 1hm3 n LEU 296 Cb 0.83 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1hm3 n LEU 296 CO 0.15 -0.10 1.04 0.21 -1.33 0.00 0.00 177.39 177.36 1hm3 s ASN 297 N -2.78 6.68 -0.32 -1.43 3.84 0.38 -1.35 114.94 119.96 1hm3 s ASN 297 Ca 0.16 0.69 0.07 0.00 0.21 0.00 0.00 52.86 53.99 1hm3 s ASN 297 Cb 0.15 -2.55 0.46 0.00 -0.55 0.00 0.00 41.25 38.76 1hm3 s ASN 297 CO 0.37 -1.17 1.33 0.29 -2.79 0.00 0.00 177.10 175.13 1hm3 n LYS 298 N 7.61 2.88 0.26 0.43 4.76 0.14 -4.70 118.16 129.53 1hm3 n LYS 298 Ca 0.13 -3.77 0.14 0.00 -2.87 0.00 0.00 58.31 51.94 1hm3 n LYS 298 Cb 0.48 -2.09 0.68 0.00 -1.84 0.00 0.00 35.03 32.26 1hm3 n LYS 298 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1hm3 h LYS 299 N 1.77 0.00 -0.43 1.97 1.57 -1.75 -2.47 116.57 117.23 1hm3 h LYS 299 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1hm3 h LYS 299 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1hm3 h LYS 299 CO 0.66 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 1hm3 n ALA 300 N -2.19 2.53 0.14 3.86 0.00 -1.26 -4.31 120.51 119.28 1hm3 n ALA 300 Ca -0.01 -0.70 0.07 0.00 0.00 0.00 0.00 53.44 52.80 1hm3 n ALA 300 Cb 0.30 -0.98 0.56 0.00 0.00 0.00 0.00 19.45 19.33 1hm3 n ALA 300 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1hm3 h GLU 301 N 2.20 0.20 -0.20 0.00 4.57 -1.78 -2.26 114.58 117.31 1hm3 h GLU 301 Ca 0.00 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1hm3 h GLU 301 Cb 0.60 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1hm3 h GLU 301 CO 0.03 0.14 0.25 1.57 -1.18 0.00 0.00 179.01 179.81 1hm3 h LYS 302 N 0.21 0.00 -0.91 1.92 2.10 -1.84 0.29 116.57 118.34 1hm3 h LYS 302 Ca 0.08 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.81 1hm3 h LYS 302 Cb 0.06 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.32 1hm3 h LYS 302 CO -0.02 0.00 0.56 0.87 -2.00 0.00 0.00 179.45 178.87 1hm3 h LYS 303 N 0.00 0.94 0.10 0.07 1.79 -1.76 0.36 116.57 118.07 1hm3 h LYS 303 Ca 0.09 -0.06 -0.32 0.00 -2.18 0.00 0.00 60.65 58.19 1hm3 h LYS 303 Cb 0.59 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1hm3 h LYS 303 CO -0.00 0.62 -1.70 0.00 -1.08 0.00 0.00 179.45 177.29 1hm3 h ARG 304 N 0.97 0.20 -0.68 3.15 3.08 -1.20 -3.35 114.38 116.56 1hm3 h ARG 304 Ca 0.42 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1hm3 h ARG 304 Cb 0.29 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1hm3 h ARG 304 CO -0.21 1.01 0.38 -0.07 -1.07 0.00 0.00 179.97 180.00 1hm3 h LEU 305 N 0.05 0.83 -1.18 3.04 3.38 -0.78 -0.89 115.31 119.76 1hm3 h LEU 305 Ca -0.30 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1hm3 h LEU 305 Cb 2.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 1hm3 h LEU 305 CO 0.12 0.66 0.56 -0.07 0.09 0.00 0.00 178.44 179.80 1hm3 h LEU 306 N 0.94 0.96 -0.02 1.67 4.07 -0.43 -0.14 115.31 122.35 1hm3 h LEU 306 Ca 0.24 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 1hm3 h LEU 306 Cb 0.01 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.51 1hm3 h LEU 306 CO -0.04 0.69 -0.10 0.58 -1.08 0.00 0.00 178.44 178.49 1hm3 h VAL 307 N 1.13 1.49 -0.96 1.22 2.07 -1.49 -3.03 116.25 116.67 1hm3 h VAL 307 Ca 0.31 -1.59 0.15 0.00 0.82 0.00 0.00 66.70 66.39 1hm3 h VAL 307 Cb -0.11 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 1hm3 h VAL 307 CO -0.07 0.43 0.61 0.00 0.02 0.00 0.00 177.57 178.56 1hm3 h ALA 308 N 0.38 1.70 0.00 1.67 0.00 -0.87 0.31 119.26 122.45 1hm3 h ALA 308 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1hm3 h ALA 308 Cb 0.75 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1hm3 h ALA 308 CO 0.02 0.03 -0.16 -0.22 0.00 0.00 0.00 179.25 178.91 1hm3 h LYS 309 N 0.81 0.00 0.15 0.00 3.64 -1.03 0.34 116.57 120.49 1hm3 h LYS 309 Ca 0.50 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.58 1hm3 h LYS 309 Cb 0.70 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1hm3 h LYS 309 CO -0.27 0.16 -1.42 0.52 -2.27 0.00 0.00 179.45 176.18 1hm3 h MET 310 N 0.00 0.32 0.08 1.90 2.86 -0.33 -3.38 114.93 116.39 1hm3 h MET 310 Ca -0.00 -0.55 -0.30 0.00 -2.06 0.00 0.00 59.70 56.79 1hm3 h MET 310 Cb 0.52 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1hm3 h MET 310 CO 0.02 1.23 -1.55 0.82 1.06 0.00 0.00 176.91 178.49 1hm3 h ILE 311 N 0.09 1.11 -3.11 -1.22 2.04 -0.85 -3.41 117.51 112.15 1hm3 h ILE 311 Ca -0.21 -2.80 -0.66 0.00 1.00 0.00 0.00 64.86 62.20 1hm3 h ILE 311 Cb 2.03 2.68 -0.39 0.00 -0.74 0.00 0.00 36.82 40.40 1hm3 h ILE 311 CO 0.20 0.78 -0.35 -0.67 0.00 0.00 0.00 178.15 178.11 1hm3 n ASP 312 N -3.36 3.62 0.27 1.72 2.03 0.12 -4.92 116.55 116.03 1hm3 n ASP 312 Ca -0.16 -3.20 0.13 0.00 0.52 0.00 0.00 54.79 52.08 1hm3 n ASP 312 Cb 1.03 -0.88 0.76 0.00 -0.72 0.00 0.00 41.12 41.32 1hm3 n ASP 312 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1hm3 h LEU 313 N 5.53 0.00 -2.50 -2.67 4.07 -1.81 -2.92 115.31 115.00 1hm3 h LEU 313 Ca 0.16 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.13 1hm3 h LEU 313 Cb 0.76 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 1hm3 h LEU 313 CO 0.80 0.10 0.04 0.11 -1.08 0.00 0.00 178.44 178.40 1hm3 h LYS 314 N 0.00 0.00 -0.85 1.13 1.57 -1.94 -2.89 116.57 113.59 1hm3 h LYS 314 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1hm3 h LYS 314 Cb 0.28 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.17 1hm3 h LYS 314 CO 0.01 0.00 -0.85 0.72 -0.57 0.00 0.00 179.45 178.77 1hm3 n HIS 315 N -3.71 2.66 -0.08 -1.35 8.25 -1.10 -4.87 115.22 115.02 1hm3 n HIS 315 Ca -0.02 -2.37 -0.06 0.00 -0.26 0.00 0.00 57.72 55.00 1hm3 n HIS 315 Cb 0.12 -0.29 -0.00 0.00 1.12 0.00 0.00 29.99 30.94 1hm3 n HIS 315 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1hm3 h THR 316 N 2.63 0.68 -0.34 1.59 2.02 -1.65 -1.44 112.91 116.40 1hm3 h THR 316 Ca 0.29 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.52 1hm3 h THR 316 Cb 1.40 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 1hm3 h THR 316 CO 0.71 0.00 0.09 -0.08 0.37 0.00 0.00 175.52 176.61 1hm3 h GLU 317 N -0.01 0.22 -0.73 6.66 4.81 -1.89 0.17 114.58 123.81 1hm3 h GLU 317 Ca 0.15 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1hm3 h GLU 317 Cb 0.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1hm3 h GLU 317 CO -0.32 0.14 0.37 0.93 -0.73 0.00 0.00 179.01 179.40 1hm3 h GLU 318 N 0.23 1.04 -0.60 1.92 5.08 -1.88 0.15 114.58 120.52 1hm3 h GLU 318 Ca 0.16 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1hm3 h GLU 318 Cb 0.15 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1hm3 h GLU 318 CO -0.18 0.80 0.32 -1.49 -1.00 0.00 0.00 179.01 177.46 1hm3 h TRP 319 N 1.02 0.83 -0.20 4.33 -0.00 -0.67 -1.19 115.95 120.07 1hm3 h TRP 319 Ca 0.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.11 1hm3 h TRP 319 Cb 0.09 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 28.98 1hm3 h TRP 319 CO 0.00 0.61 0.08 0.00 -0.00 0.00 0.00 178.44 179.13 1hm3 h ALA 320 N 1.15 0.26 -0.75 1.49 0.00 -0.09 -1.59 119.26 119.71 1hm3 h ALA 320 Ca 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1hm3 h ALA 320 Cb 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1hm3 h ALA 320 CO -0.03 -0.16 0.50 -0.44 0.00 0.00 0.00 179.25 179.12 1hm3 h ASP 321 N 0.18 0.86 -0.62 0.00 3.32 -0.52 -0.81 116.42 118.84 1hm3 h ASP 321 Ca 0.07 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1hm3 h ASP 321 Cb 0.16 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1hm3 h ASP 321 CO -0.01 0.63 0.13 0.00 -1.72 0.00 0.00 179.24 178.27 1hm3 h ALA 322 N 1.28 1.02 -0.40 3.45 0.00 -1.05 -0.74 119.26 122.81 1hm3 h ALA 322 Ca 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1hm3 h ALA 322 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1hm3 h ALA 322 CO -0.06 0.63 0.17 0.82 0.00 0.00 0.00 179.25 180.81 1hm3 h ILE 323 N 0.98 1.19 0.11 0.00 2.04 -0.87 -1.06 117.51 119.89 1hm3 h ILE 323 Ca 0.20 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1hm3 h ILE 323 Cb 0.38 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1hm3 h ILE 323 CO 0.01 0.21 -0.19 0.00 0.00 0.00 0.00 178.15 178.18 1hm3 h ALA 324 N 1.02 -0.32 0.25 1.87 0.00 -0.65 0.27 119.26 121.69 1hm3 h ALA 324 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1hm3 h ALA 324 Cb 0.17 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1hm3 h ALA 324 CO -0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 179.25 178.40 1hm3 h ARG 325 N -0.37 -0.32 -0.14 0.00 3.08 -1.04 0.14 114.38 115.73 1hm3 h ARG 325 Ca 0.02 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1hm3 h ARG 325 Cb 0.38 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1hm3 h ARG 325 CO -0.10 -0.18 -0.30 1.79 -1.07 0.00 0.00 179.97 180.11 1hm3 h THR 326 N -0.39 1.26 -0.07 2.04 1.35 -1.14 -2.06 112.91 113.90 1hm3 h THR 326 Ca -0.03 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1hm3 h THR 326 Cb 0.29 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1hm3 h THR 326 CO 0.06 0.38 0.00 -0.67 -0.25 0.00 0.00 175.52 175.03 1hm3 n ASP 327 N -4.12 1.94 -3.53 5.36 4.64 0.08 -4.28 116.55 116.63 1hm3 n ASP 327 Ca -0.01 -1.67 -0.19 0.00 -1.38 0.00 0.00 54.79 51.54 1hm3 n ASP 327 Cb 0.40 -0.04 0.01 0.00 -1.04 0.00 0.00 41.12 40.45 1hm3 n ASP 327 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 1hm3 n SER 328 N 0.51 -5.93 -0.48 1.67 2.88 0.30 -4.91 113.62 107.66 1hm3 n SER 328 Ca 0.18 -0.70 0.07 0.00 -1.33 0.00 0.00 58.87 57.09 1hm3 n SER 328 Cb 0.41 -3.33 0.03 0.00 -0.75 0.00 0.00 64.21 60.57 1hm3 n SER 328 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1hm3 n THR 329 N -2.84 0.00 -4.13 2.46 -2.24 -0.08 -4.98 114.28 102.47 1hm3 n THR 329 Ca -0.15 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 1hm3 n THR 329 Cb 0.60 1.25 -0.09 0.00 -2.10 0.00 0.00 70.33 69.99 1hm3 n THR 329 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1hm3 s VAL 330 N -1.48 0.03 0.79 2.28 -7.23 -1.24 -5.04 120.40 108.51 1hm3 s VAL 330 Ca 0.15 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 1hm3 s VAL 330 Cb 0.12 -2.27 0.07 0.00 0.56 0.00 0.00 36.38 34.86 1hm3 s VAL 330 CO 0.27 -0.15 1.10 0.00 -0.31 0.00 0.00 175.10 176.01 1hm3 s ALA 331 N -4.09 2.15 0.43 1.32 0.00 -1.26 -4.75 121.76 115.56 1hm3 s ALA 331 Ca 0.30 0.34 0.14 0.00 0.00 0.00 0.00 51.96 52.75 1hm3 s ALA 331 Cb 0.05 -3.31 1.03 0.00 0.00 0.00 0.00 23.12 20.90 1hm3 s ALA 331 CO 0.08 -1.89 1.96 0.00 0.00 0.00 0.00 175.76 175.91 1hm3 h ALA 332 N -1.16 2.04 -0.51 0.00 0.00 -1.90 -2.11 119.26 115.63 1hm3 h ALA 332 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1hm3 h ALA 332 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1hm3 h ALA 332 CO 0.50 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1hm3 n GLY 333 N -1.52 1.97 3.66 0.00 0.00 -1.26 -3.89 105.19 104.16 1hm3 n GLY 333 Ca 0.11 -0.63 -0.51 0.00 0.00 0.00 0.00 46.02 45.00 1hm3 n GLY 333 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1hm3 n TYR 334 N 0.87 2.17 -2.14 1.61 9.36 -0.79 -1.82 117.16 126.41 1hm3 n TYR 334 Ca 0.19 0.15 -0.15 0.00 3.32 0.00 0.00 57.90 61.41 1hm3 n TYR 334 Cb 0.65 -2.60 -0.02 0.00 -0.63 0.00 0.00 39.34 36.73 1hm3 n TYR 334 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1hm3 n LYS 335 N 6.61 -1.84 -2.95 2.98 5.02 -1.26 -4.94 118.16 121.78 1hm3 n LYS 335 Ca 0.26 0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 56.91 1hm3 n LYS 335 Cb 0.25 -5.31 -0.05 0.00 -0.02 0.00 0.00 35.03 29.90 1hm3 n LYS 335 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1hm3 s ILE 336 N -2.63 4.71 0.30 -0.18 -1.09 -0.75 -5.04 121.20 116.52 1hm3 s ILE 336 Ca 0.00 0.81 -0.09 0.00 -2.23 0.00 0.00 60.65 59.14 1hm3 s ILE 336 Cb 0.00 -4.24 -0.07 0.00 -1.58 0.00 0.00 42.46 36.58 1hm3 s ILE 336 CO 0.00 -0.50 0.63 -1.61 -1.23 0.00 0.00 174.94 172.23 1hm3 s GLU 337 N 3.16 3.77 0.09 2.79 0.41 -1.26 -3.81 118.70 123.85 1hm3 s GLU 337 Ca 0.31 0.29 -0.35 0.00 -0.41 0.00 0.00 54.97 54.82 1hm3 s GLU 337 Cb -0.13 -2.55 -0.14 0.00 -1.78 0.00 0.00 34.13 29.53 1hm3 s GLU 337 CO 0.18 0.18 1.60 -2.30 -0.49 0.00 0.00 175.26 174.43 1hm3 n PRO 338 N -0.70 1.97 -3.71 0.39 -0.02 -1.26 -4.58 135.00 127.10 1hm3 n PRO 338 Ca 0.01 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1hm3 n PRO 338 Cb 0.53 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1hm3 n PRO 338 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1hm3 s TYR 339 N 1.52 -0.22 -0.20 6.00 5.04 -0.35 -4.79 117.35 124.34 1hm3 s TYR 339 Ca 0.83 0.23 -0.18 0.00 -2.44 0.00 0.00 57.07 55.51 1hm3 s TYR 339 Cb -0.74 0.16 0.05 0.00 0.35 0.00 0.00 41.96 41.79 1hm3 s TYR 339 CO 0.43 -0.51 0.54 -1.58 -1.34 0.00 0.00 175.55 173.09 1hm3 s HIS 340 N -2.11 -0.63 -0.21 4.97 5.65 -0.41 -0.42 115.29 122.14 1hm3 s HIS 340 Ca -0.08 1.48 -0.08 0.00 0.25 0.00 0.00 55.06 56.63 1hm3 s HIS 340 Cb -0.02 0.24 0.09 0.00 -1.18 0.00 0.00 32.58 31.71 1hm3 s HIS 340 CO -0.00 -0.31 0.45 -1.58 -0.65 0.00 0.00 174.74 172.65 1hm3 s HIS 341 N 0.48 -0.84 -0.30 3.88 5.04 -0.53 -3.96 115.29 119.05 1hm3 s HIS 341 Ca -0.02 1.60 -0.16 0.00 -1.54 0.00 0.00 55.06 54.95 1hm3 s HIS 341 Cb -0.04 0.37 -0.02 0.00 0.04 0.00 0.00 32.58 32.92 1hm3 s HIS 341 CO -0.02 -0.48 0.40 -1.14 -2.34 0.00 0.00 174.74 171.16 1hm3 s GLN 342 N 2.44 3.83 -0.90 2.88 2.00 -1.26 -1.59 119.66 127.06 1hm3 s GLN 342 Ca -0.04 -0.11 -0.22 0.00 -2.00 0.00 0.00 55.36 53.00 1hm3 s GLN 342 Cb -0.11 -3.72 0.07 0.00 0.80 0.00 0.00 33.01 30.05 1hm3 s GLN 342 CO -0.14 -0.41 1.26 -0.06 -0.50 0.00 0.00 175.29 175.44 1hm3 s PHE 343 N 2.13 2.69 0.50 1.67 0.40 0.14 -4.85 117.98 120.66 1hm3 s PHE 343 Ca 0.15 -0.86 0.21 0.00 -0.60 0.00 0.00 56.93 55.84 1hm3 s PHE 343 Cb -0.16 -4.51 1.39 0.00 0.51 0.00 0.00 43.02 40.26 1hm3 s PHE 343 CO 0.11 -1.78 2.13 0.11 0.70 0.00 0.00 175.22 176.48 1hm3 h TRP 344 N 9.51 0.00 0.19 0.36 0.09 -1.87 0.19 115.95 124.42 1hm3 h TRP 344 Ca 0.05 0.00 -0.34 0.00 0.09 0.00 0.00 58.89 58.70 1hm3 h TRP 344 Cb 1.03 0.00 0.01 0.00 0.08 0.00 0.00 29.16 30.28 1hm3 h TRP 344 CO 1.18 0.07 -1.63 -0.91 0.09 0.00 0.00 178.44 177.24 1hm3 h ASN 345 N 0.00 0.64 0.90 0.11 -0.26 -1.89 -3.37 115.58 111.71 1hm3 h ASN 345 Ca -0.00 -0.93 0.00 0.00 -0.56 0.00 0.00 56.30 54.81 1hm3 h ASN 345 Cb 0.14 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1hm3 h ASN 345 CO 0.01 1.75 -0.17 0.61 -1.06 0.00 0.00 177.43 178.56 1hm3 n GLY 346 N 1.82 -1.45 3.53 2.83 0.00 -0.91 -4.84 105.19 106.16 1hm3 n GLY 346 Ca -0.23 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 1hm3 n GLY 346 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hm3 n ASP 347 N -1.61 -2.64 -3.72 1.61 10.43 0.62 -4.69 116.55 116.55 1hm3 n ASP 347 Ca 0.06 -0.74 -0.14 0.00 2.57 0.00 0.00 54.79 56.54 1hm3 n ASP 347 Cb 0.35 -4.60 -0.08 0.00 1.84 0.00 0.00 41.12 38.63 1hm3 n ASP 347 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1hm3 s TYR 348 N -3.50 -0.28 -0.01 1.24 5.04 -1.21 -1.16 117.35 117.48 1hm3 s TYR 348 Ca 0.11 0.47 -0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1hm3 s TYR 348 Cb -0.02 0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.45 1hm3 s TYR 348 CO 0.77 -0.40 0.02 0.54 -1.34 0.00 0.00 175.55 175.13 1hm3 s VAL 349 N -1.15 -0.02 -0.01 3.14 0.11 -0.46 0.23 120.40 122.24 1hm3 s VAL 349 Ca -0.12 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1hm3 s VAL 349 Cb -0.04 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.74 1hm3 s VAL 349 CO 0.05 0.03 -0.18 -1.10 -3.33 0.00 0.00 175.10 170.56 1hm3 s GLN 350 N 0.33 2.27 -0.16 1.54 -0.21 -0.62 -0.55 119.66 122.27 1hm3 s GLN 350 Ca -0.03 -0.84 -0.03 0.00 0.02 0.00 0.00 55.36 54.48 1hm3 s GLN 350 Cb -0.04 -2.24 0.05 0.00 1.00 0.00 0.00 33.01 31.79 1hm3 s GLN 350 CO -0.01 0.58 0.04 -1.58 -2.12 0.00 0.00 175.29 172.21 1hm3 s HIS 351 N -0.76 0.72 -0.06 0.91 2.46 -1.11 -1.46 115.29 115.99 1hm3 s HIS 351 Ca 0.12 -0.56 0.02 0.00 0.47 0.00 0.00 55.06 55.12 1hm3 s HIS 351 Cb -0.10 -0.88 -0.03 0.00 -0.13 0.00 0.00 32.58 31.44 1hm3 s HIS 351 CO 0.02 -0.52 -0.12 -0.51 -2.47 0.00 0.00 174.74 171.14 1hm3 s LEU 352 N 1.96 2.88 0.12 8.88 1.02 0.44 -0.48 118.68 133.51 1hm3 s LEU 352 Ca 0.01 -0.14 -0.05 0.00 0.02 0.00 0.00 54.13 53.97 1hm3 s LEU 352 Cb -0.16 -1.60 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 1hm3 s LEU 352 CO -0.08 0.34 0.13 -0.13 0.02 0.00 0.00 176.35 176.64 1hm3 s ARG 353 N -0.70 0.95 0.24 1.70 1.81 0.76 -1.21 118.95 122.50 1hm3 s ARG 353 Ca 0.11 -1.26 -0.04 0.00 -1.72 0.00 0.00 55.73 52.81 1hm3 s ARG 353 Cb -0.11 0.29 0.44 0.00 -0.45 0.00 0.00 34.95 35.12 1hm3 s ARG 353 CO 0.01 -0.29 1.75 -1.35 -0.68 0.00 0.00 175.30 174.74 1hm3 h PRO 354 N 2.79 0.53 -0.01 3.54 0.11 -1.87 -2.60 132.00 134.48 1hm3 h PRO 354 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1hm3 h PRO 354 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1hm3 h PRO 354 CO 0.56 0.35 -0.22 0.00 -0.21 0.00 0.00 178.00 178.48 1hm3 n ALA 355 N -2.45 3.00 -3.77 -0.75 0.00 -1.26 -4.05 120.51 111.23 1hm3 n ALA 355 Ca 0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 1hm3 n ALA 355 Cb 0.37 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1hm3 n ALA 355 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1hm3 s TYR 356 N -2.48 -0.03 -0.01 0.00 -0.85 -0.98 -4.58 117.35 108.42 1hm3 s TYR 356 Ca 0.26 -0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.64 1hm3 s TYR 356 Cb 0.19 0.60 0.01 0.00 0.38 0.00 0.00 41.96 43.14 1hm3 s TYR 356 CO 0.50 -0.51 -0.02 -1.12 -1.52 0.00 0.00 175.55 172.88 1hm3 s SER 357 N -3.21 0.39 -0.31 -0.18 0.01 -0.72 -0.17 113.70 109.52 1hm3 s SER 357 Ca 0.18 -0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.37 1hm3 s SER 357 Cb 0.01 -0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.23 1hm3 s SER 357 CO -0.00 -0.02 0.12 0.12 0.41 0.00 0.00 173.24 173.87 1hm3 s PHE 358 N 0.35 0.97 0.03 2.43 5.36 0.36 -2.02 117.98 125.46 1hm3 s PHE 358 Ca -0.03 -1.32 0.05 0.00 -0.96 0.00 0.00 56.93 54.67 1hm3 s PHE 358 Cb -0.06 -1.27 -0.03 0.00 -0.34 0.00 0.00 43.02 41.31 1hm3 s PHE 358 CO -0.01 -0.85 -0.12 -0.80 -1.46 0.00 0.00 175.22 171.98 1hm3 s ASN 359 N 1.80 4.22 -0.05 6.13 0.01 -0.75 -2.76 114.94 123.54 1hm3 s ASN 359 Ca 0.10 -0.29 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 1hm3 s ASN 359 Cb -0.17 -0.84 -0.00 0.00 0.41 0.00 0.00 41.25 40.64 1hm3 s ASN 359 CO -0.29 0.26 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.69 1hm3 s VAL 360 N -0.98 1.47 -0.17 1.60 1.01 0.29 -0.38 120.40 123.25 1hm3 s VAL 360 Ca 0.16 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1hm3 s VAL 360 Cb -0.11 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1hm3 s VAL 360 CO 0.07 0.42 0.02 -0.60 0.00 0.00 0.00 175.10 175.01 1hm3 s ARG 361 N 0.06 3.85 0.00 2.72 3.52 -0.54 -1.36 118.95 127.20 1hm3 s ARG 361 Ca -0.05 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1hm3 s ARG 361 Cb -0.12 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 1hm3 s ARG 361 CO 0.02 0.26 0.00 -1.33 -0.81 0.00 0.00 175.30 173.45 1hm3 n MET 362 N 3.52 1.57 -3.75 5.12 2.81 -0.31 -1.15 117.12 124.93 1hm3 n MET 362 Ca -0.17 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.63 1hm3 n MET 362 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.01 1hm3 n MET 362 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1hm3 s VAL 363 N -0.98 0.00 0.36 2.03 0.11 -1.23 -4.78 120.40 115.91 1hm3 s VAL 363 Ca 0.00 -0.76 -0.16 0.00 -2.93 0.00 0.00 61.98 58.12 1hm3 s VAL 363 Cb 0.00 -1.72 0.06 0.00 -1.53 0.00 0.00 36.38 33.19 1hm3 s VAL 363 CO 0.00 -0.02 0.85 -1.54 -3.33 0.00 0.00 175.10 171.06 1hm3 n SER 364 N -0.42 -2.21 0.20 3.54 3.41 -1.26 -4.78 113.62 112.10 1hm3 n SER 364 Ca -0.08 -2.47 0.14 0.00 -0.26 0.00 0.00 58.87 56.20 1hm3 n SER 364 Cb 0.61 3.67 0.69 0.00 -0.26 0.00 0.00 64.21 68.92 1hm3 n SER 364 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1hm3 h LYS 365 N 0.00 0.00 0.00 4.33 1.57 -1.00 -0.79 116.57 120.67 1hm3 h LYS 365 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1hm3 h LYS 365 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1hm3 h LYS 365 CO 0.42 0.00 -0.55 0.54 -0.57 0.00 0.00 179.45 179.29 1hm3 n ARG 366 N -2.45 0.01 -3.88 3.15 1.74 -1.26 -4.63 116.66 109.34 1hm3 n ARG 366 Ca -0.01 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.88 1hm3 n ARG 366 Cb 0.09 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 1hm3 n ARG 366 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1hm3 n THR 367 N -1.51 0.00 -4.55 0.55 -2.24 -0.36 -4.76 114.28 101.41 1hm3 n THR 367 Ca 0.05 -1.88 -0.30 0.00 -2.27 0.00 0.00 64.05 59.65 1hm3 n THR 367 Cb 0.34 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 69.15 1hm3 n THR 367 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hm3 s ARG 368 N -3.21 1.92 0.69 -0.78 1.81 -0.19 -1.21 118.95 117.99 1hm3 s ARG 368 Ca 0.18 -1.07 -0.11 0.00 -1.72 0.00 0.00 55.73 53.01 1hm3 s ARG 368 Cb 0.01 -2.13 0.01 0.00 -0.45 0.00 0.00 34.95 32.38 1hm3 s ARG 368 CO 0.13 0.51 1.06 1.03 -0.68 0.00 0.00 175.30 177.35 1hm3 s ARG 369 N -1.68 2.96 0.17 3.54 0.52 0.20 -4.63 118.95 120.03 1hm3 s ARG 369 Ca 0.15 0.97 -0.34 0.00 -0.52 0.00 0.00 55.73 56.00 1hm3 s ARG 369 Cb -0.10 -1.99 -0.15 0.00 0.52 0.00 0.00 34.95 33.23 1hm3 s ARG 369 CO 0.07 -1.08 1.39 0.45 0.02 0.00 0.00 175.30 176.15 1hm3 n SER 370 N -3.07 2.32 -4.90 0.23 2.88 -1.26 -3.89 113.62 105.93 1hm3 n SER 370 Ca 0.08 1.12 -0.28 0.00 -1.33 0.00 0.00 58.87 58.45 1hm3 n SER 370 Cb 0.53 -1.33 -0.01 0.00 -0.75 0.00 0.00 64.21 62.65 1hm3 n SER 370 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1hm3 s GLU 371 N 0.20 3.61 -0.02 -1.46 -1.05 -1.26 -4.67 118.70 114.04 1hm3 s GLU 371 Ca 0.76 0.30 0.07 0.00 -0.15 0.00 0.00 54.97 55.94 1hm3 s GLU 371 Cb -0.77 -2.37 -0.02 0.00 -0.44 0.00 0.00 34.13 30.54 1hm3 s GLU 371 CO 0.46 -0.17 -0.22 0.45 0.95 0.00 0.00 175.26 176.72 1hm3 s SER 372 N -3.84 2.65 -0.19 0.83 0.15 -1.26 -4.35 113.70 107.69 1hm3 s SER 372 Ca 0.49 -0.41 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 1hm3 s SER 372 Cb -0.10 -0.34 0.14 0.00 -1.71 0.00 0.00 66.02 64.01 1hm3 s SER 372 CO 0.42 0.27 1.10 -0.83 1.20 0.00 0.00 173.24 175.40 1hm3 s GLY 373 N -0.49 -0.19 -1.36 9.45 0.00 -1.06 -0.91 107.32 112.77 1hm3 s GLY 373 Ca 0.07 2.14 -0.09 0.00 0.00 0.00 0.00 44.72 46.84 1hm3 s GLY 373 CO -0.00 0.97 0.56 0.70 0.00 0.00 0.00 173.10 175.33 1hm3 n ASN 374 N 0.55 -4.20 -2.30 1.64 3.02 -1.26 -0.16 115.26 112.56 1hm3 n ASN 374 Ca -0.07 -0.43 -0.20 0.00 -0.03 0.00 0.00 54.58 53.86 1hm3 n ASN 374 Cb 0.58 -3.44 -0.01 0.00 -0.61 0.00 0.00 39.78 36.30 1hm3 n ASN 374 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1hm3 n LYS 375 N -3.89 -1.61 -4.21 3.52 5.02 -1.26 -4.82 118.16 110.91 1hm3 n LYS 375 Ca -0.02 0.98 -0.29 0.00 -2.02 0.00 0.00 58.31 56.96 1hm3 n LYS 375 Cb 0.55 -5.60 -0.09 0.00 -0.02 0.00 0.00 35.03 29.87 1hm3 n LYS 375 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hm3 s GLU 376 N -5.00 2.23 -1.43 1.97 2.02 0.78 -1.88 118.70 117.39 1hm3 s GLU 376 Ca 0.00 -1.04 -0.07 0.00 0.02 0.00 0.00 54.97 53.89 1hm3 s GLU 376 Cb 0.00 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.94 1hm3 s GLU 376 CO 0.00 0.49 0.80 -1.71 0.02 0.00 0.00 175.26 174.87 1hm3 n ASN 377 N 0.46 -2.75 0.26 -0.19 5.15 0.83 -2.55 115.26 116.47 1hm3 n ASN 377 Ca -0.12 -0.82 0.13 0.00 -0.60 0.00 0.00 54.58 53.16 1hm3 n ASN 377 Cb 0.53 -3.87 0.78 0.00 -0.53 0.00 0.00 39.78 36.69 1hm3 n ASN 377 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1hm3 h LEU 378 N -1.96 0.00 -2.59 1.20 3.38 -1.49 -2.92 115.31 110.92 1hm3 h LEU 378 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1hm3 h LEU 378 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1hm3 h LEU 378 CO 0.62 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.33 1hm3 n LEU 379 N -4.16 2.74 -1.49 1.67 4.77 -1.26 -1.13 117.00 118.14 1hm3 n LEU 379 Ca -0.02 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 1hm3 n LEU 379 Cb 0.13 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1hm3 n LEU 379 CO 0.31 0.66 0.85 0.61 -1.33 0.00 0.00 177.39 178.49 1hm3 n GLY 380 N 0.55 2.25 0.24 -0.72 0.00 -1.10 -4.43 105.19 101.98 1hm3 n GLY 380 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1hm3 n GLY 380 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hm3 h ARG 381 N 1.18 0.00 -0.08 1.61 2.43 -1.84 -3.15 114.38 114.54 1hm3 h ARG 381 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1hm3 h ARG 381 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1hm3 h ARG 381 CO 0.00 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.23 1hm3 n TYR 382 N -4.27 0.19 0.33 2.20 4.02 -1.26 -4.75 117.16 113.62 1hm3 n TYR 382 Ca -0.03 -0.77 0.22 0.00 -0.01 0.00 0.00 57.90 57.31 1hm3 n TYR 382 Cb 0.19 -0.13 1.18 0.00 -0.02 0.00 0.00 39.34 40.56 1hm3 n TYR 382 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1hm3 h LEU 383 N 0.49 0.00 -1.64 7.72 3.38 -1.88 -2.65 115.31 120.73 1hm3 h LEU 383 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hm3 h LEU 383 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1hm3 h LEU 383 CO 0.03 0.00 -0.10 -1.20 0.09 0.00 0.00 178.44 177.27 1hm3 n SER 384 N -3.16 2.65 -2.91 -0.43 7.64 -1.26 -4.31 113.62 111.83 1hm3 n SER 384 Ca -0.03 -1.84 -0.32 0.00 1.01 0.00 0.00 58.87 57.69 1hm3 n SER 384 Cb 0.08 0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 1hm3 n SER 384 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1hm3 n ASP 385 N 0.94 7.22 -0.70 6.43 8.00 -1.00 -3.54 116.55 133.89 1hm3 n ASP 385 Ca 0.13 -3.01 0.00 0.00 0.71 0.00 0.00 54.79 52.62 1hm3 n ASP 385 Cb 0.55 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1hm3 n ASP 385 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hm3 n GLY 386 N 1.74 0.75 3.69 0.44 0.00 -0.30 -4.31 105.19 107.19 1hm3 n GLY 386 Ca 0.57 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1hm3 n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hm3 s ALA 387 N -3.00 3.51 -0.43 4.61 0.00 -0.87 -3.65 121.76 121.94 1hm3 s ALA 387 Ca 0.00 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 1hm3 s ALA 387 Cb 0.00 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1hm3 s ALA 387 CO 0.00 -0.80 0.30 0.95 0.00 0.00 0.00 175.76 176.21 1hm3 s THR 388 N 2.32 4.76 -0.42 0.00 -4.23 0.16 -1.47 115.64 116.76 1hm3 s THR 388 Ca 0.56 -1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 59.74 1hm3 s THR 388 Cb -0.25 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.82 1hm3 s THR 388 CO 0.21 -0.45 0.87 0.21 -0.54 0.00 0.00 174.62 174.93 1hm3 s ASN 389 N 2.10 6.54 -0.30 3.99 2.47 0.49 -4.58 114.94 125.65 1hm3 s ASN 389 Ca 0.03 0.24 -0.01 0.00 0.42 0.00 0.00 52.86 53.54 1hm3 s ASN 389 Cb -0.22 -2.43 0.06 0.00 -1.45 0.00 0.00 41.25 37.21 1hm3 s ASN 389 CO 0.06 -0.91 -0.00 -0.63 -3.72 0.00 0.00 177.10 171.89 1hm3 s ILE 390 N 3.47 2.82 -0.08 -5.21 1.01 -1.26 -1.81 121.20 120.13 1hm3 s ILE 390 Ca 0.35 -1.53 0.04 0.00 0.00 0.00 0.00 60.65 59.50 1hm3 s ILE 390 Cb -0.12 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1hm3 s ILE 390 CO 0.22 -0.16 -0.20 -1.10 0.00 0.00 0.00 174.94 173.70 1hm3 s GLN 391 N 1.20 2.44 -0.00 2.79 -0.21 -0.86 -4.87 119.66 120.14 1hm3 s GLN 391 Ca -0.04 -0.70 -0.04 0.00 0.02 0.00 0.00 55.36 54.60 1hm3 s GLN 391 Cb -0.20 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.87 1hm3 s GLN 391 CO -0.02 0.15 -0.09 1.28 -2.12 0.00 0.00 175.29 174.49 1hm3 n LEU 392 N 3.53 1.01 0.11 2.90 4.32 -1.26 -1.76 117.00 125.85 1hm3 n LEU 392 Ca -0.20 0.15 -0.19 0.00 -0.02 0.00 0.00 56.01 55.75 1hm3 n LEU 392 Cb 0.52 -0.35 -0.15 0.00 -1.62 0.00 0.00 43.42 41.83 1hm3 n LEU 392 CO 0.27 -0.36 -0.14 0.03 -1.22 0.00 0.00 177.39 175.96 1hm3 h ARG 393 N -0.24 0.36 0.00 3.23 3.08 -1.94 -3.45 114.38 115.42 1hm3 h ARG 393 Ca -0.06 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1hm3 h ARG 393 Cb 0.57 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1hm3 h ARG 393 CO -0.04 1.28 0.00 0.41 -1.07 0.00 0.00 179.97 180.56 1hm3 n GLY 394 N 1.61 2.82 0.74 0.04 0.00 -1.26 -4.68 105.19 104.45 1hm3 n GLY 394 Ca -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1hm3 n GLY 394 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hm3 n PRO 395 N 0.00 1.31 -0.17 1.61 -0.04 -1.26 -4.48 135.00 131.96 1hm3 n PRO 395 Ca 0.00 -0.29 0.29 0.00 -0.04 0.00 0.00 63.50 63.46 1hm3 n PRO 395 Cb 0.00 -1.47 0.73 0.00 -0.04 0.00 0.00 33.50 32.72 1hm3 n PRO 395 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1hm3 h GLU 396 N 0.31 0.00 0.00 0.54 3.07 -1.92 -1.48 114.58 115.09 1hm3 h GLU 396 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1hm3 h GLU 396 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1hm3 h GLU 396 CO 0.06 0.00 -0.01 0.66 -1.40 0.00 0.00 179.01 178.32 1hm3 n TYR 397 N -4.19 0.00 -1.59 4.33 4.02 -1.26 -1.61 117.16 116.86 1hm3 n TYR 397 Ca 0.18 -0.52 -0.46 0.00 -0.01 0.00 0.00 57.90 57.10 1hm3 n TYR 397 Cb 0.97 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 40.19 1hm3 n TYR 397 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1hm3 n TYR 398 N -0.58 2.01 -2.04 -0.72 9.36 -0.56 -1.67 117.16 122.96 1hm3 n TYR 398 Ca 0.02 -0.04 -0.20 0.00 3.32 0.00 0.00 57.90 61.00 1hm3 n TYR 398 Cb 0.33 -2.68 -0.04 0.00 -0.63 0.00 0.00 39.34 36.32 1hm3 n TYR 398 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1hm3 n ASN 399 N 9.80 -5.61 0.11 2.98 3.02 -1.26 -4.85 115.26 119.45 1hm3 n ASN 399 Ca 0.30 0.22 0.13 0.00 -0.03 0.00 0.00 54.58 55.20 1hm3 n ASN 399 Cb 0.36 -4.80 0.28 0.00 -0.61 0.00 0.00 39.78 35.01 1hm3 n ASN 399 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1hm3 h ILE 400 N 0.00 0.00 -0.79 2.41 2.10 -1.70 -3.38 117.51 116.16 1hm3 h ILE 400 Ca -0.45 -0.60 0.16 0.00 1.08 0.00 0.00 64.86 65.05 1hm3 h ILE 400 Cb 1.35 1.47 -0.15 0.00 -1.09 0.00 0.00 36.82 38.40 1hm3 h ILE 400 CO 0.59 0.00 -0.15 0.24 -1.08 0.00 0.00 178.15 177.75 1hm3 h MET 401 N 0.00 0.02 0.00 2.19 2.86 -1.89 -0.66 114.93 117.44 1hm3 h MET 401 Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1hm3 h MET 401 Cb 0.80 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1hm3 h MET 401 CO 0.00 0.01 -0.02 -1.00 1.06 0.00 0.00 176.91 176.96 1hm3 h PRO 402 N 0.02 0.00 -0.33 -0.22 0.13 -1.83 -2.57 132.00 127.20 1hm3 h PRO 402 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 1hm3 h PRO 402 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1hm3 h PRO 402 CO -0.79 0.02 0.00 1.33 -0.23 0.00 0.00 178.00 178.33 1hm3 n VAL 403 N -3.42 1.25 -2.57 1.56 0.24 -0.31 -3.74 118.33 111.34 1hm3 n VAL 403 Ca -0.03 -1.17 -0.35 0.00 -2.04 0.00 0.00 64.34 60.76 1hm3 n VAL 403 Cb 0.12 0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 1hm3 n VAL 403 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1hm3 s TRP 404 N -1.35 3.11 -0.48 6.34 0.52 -0.90 -4.48 118.94 121.71 1hm3 s TRP 404 Ca 0.26 1.60 -0.17 0.00 0.02 0.00 0.00 56.10 57.81 1hm3 s TRP 404 Cb 0.16 -3.07 0.06 0.00 -1.15 0.00 0.00 33.47 29.47 1hm3 s TRP 404 CO 0.14 -0.70 0.49 -2.00 0.02 0.00 0.00 176.95 174.90 1hm3 s GLU 405 N -3.00 3.05 0.11 4.98 2.12 -1.26 -4.94 118.70 119.76 1hm3 s GLU 405 Ca 0.64 -1.06 0.15 0.00 0.36 0.00 0.00 54.97 55.06 1hm3 s GLU 405 Cb -0.17 -4.09 0.66 0.00 0.26 0.00 0.00 34.13 30.79 1hm3 s GLU 405 CO 0.22 -1.07 1.46 0.91 -0.54 0.00 0.00 175.26 176.24 1hm3 n TRP 406 N 5.65 0.31 -0.53 5.30 7.02 -1.26 -1.44 117.44 132.49 1hm3 n TRP 406 Ca -0.09 0.13 0.06 0.00 -1.02 0.00 0.00 57.50 56.58 1hm3 n TRP 406 Cb 0.45 -0.71 0.33 0.00 -2.42 0.00 0.00 31.31 28.96 1hm3 n TRP 406 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1hm3 n ASP 407 N -1.79 4.83 -2.73 -0.99 5.68 -1.26 -3.95 116.55 116.34 1hm3 n ASP 407 Ca 0.02 -2.73 -0.04 0.00 -0.50 0.00 0.00 54.79 51.54 1hm3 n ASP 407 Cb 0.14 -0.64 0.04 0.00 -1.14 0.00 0.00 41.12 39.52 1hm3 n ASP 407 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1hm3 n LYS 408 N 0.56 1.90 -1.79 0.11 5.02 -0.52 -4.70 118.16 118.75 1hm3 n LYS 408 Ca 0.23 -3.57 -0.41 0.00 -2.02 0.00 0.00 58.31 52.53 1hm3 n LYS 408 Cb 1.01 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 34.35 1hm3 n LYS 408 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1hm3 s ILE 409 N -3.86 2.06 -0.11 -0.18 -1.09 -1.25 -4.68 121.20 112.09 1hm3 s ILE 409 Ca 0.30 0.06 -0.40 0.00 -2.23 0.00 0.00 60.65 58.38 1hm3 s ILE 409 Cb 0.34 -3.04 -0.18 0.00 -1.58 0.00 0.00 42.46 38.01 1hm3 s ILE 409 CO -0.03 0.01 1.43 -2.65 -1.23 0.00 0.00 174.94 172.47 1hm3 n PRO 410 N 1.69 0.75 0.00 2.79 -0.02 -1.26 -1.69 135.00 137.27 1hm3 n PRO 410 Ca 0.06 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1hm3 n PRO 410 Cb 0.38 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1hm3 n PRO 410 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hm3 n GLY 411 N 2.96 2.76 3.85 -1.23 0.00 0.24 0.35 105.19 114.14 1hm3 n GLY 411 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1hm3 n GLY 411 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hm3 s ILE 412 N -2.02 4.69 -0.15 -0.61 -4.36 -0.68 -4.66 121.20 113.42 1hm3 s ILE 412 Ca 0.00 0.89 -0.06 0.00 -0.26 0.00 0.00 60.65 61.22 1hm3 s ILE 412 Cb 0.00 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.02 1hm3 s ILE 412 CO 0.00 -0.33 0.07 -0.89 0.24 0.00 0.00 174.94 174.03 1hm3 s THR 413 N -2.16 4.90 0.16 8.37 2.01 -1.26 -0.99 115.64 126.67 1hm3 s THR 413 Ca 0.54 -0.01 -0.24 0.00 0.31 0.00 0.00 61.69 62.29 1hm3 s THR 413 Cb -0.10 -3.16 0.06 0.00 0.01 0.00 0.00 72.50 69.31 1hm3 s THR 413 CO 0.22 0.53 0.83 -0.55 -0.69 0.00 0.00 174.62 174.97 1hm3 s SER 414 N -0.26 -0.29 0.33 3.53 0.15 0.48 -4.98 113.70 112.67 1hm3 s SER 414 Ca 0.09 -0.32 -0.27 0.00 0.70 0.00 0.00 55.95 56.14 1hm3 s SER 414 Cb -0.12 0.54 -0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1hm3 s SER 414 CO 0.01 -0.97 1.07 -0.13 1.20 0.00 0.00 173.24 174.43 1hm3 s ARG 415 N -3.48 4.44 -0.89 5.44 0.52 -1.26 -1.10 118.95 122.62 1hm3 s ARG 415 Ca 0.09 1.67 -0.14 0.00 -0.52 0.00 0.00 55.73 56.83 1hm3 s ARG 415 Cb -0.02 -2.92 0.21 0.00 0.52 0.00 0.00 34.95 32.73 1hm3 s ARG 415 CO -0.01 0.07 0.90 0.34 0.02 0.00 0.00 175.30 176.62 1hm3 s ASP 416 N -1.17 6.81 0.62 0.23 -1.08 -0.20 -4.88 116.67 116.98 1hm3 s ASP 416 Ca 0.50 -2.66 -0.16 0.00 -0.52 0.00 0.00 52.55 49.70 1hm3 s ASP 416 Cb -0.28 -2.25 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 1hm3 s ASP 416 CO 0.35 -0.65 1.10 -0.31 0.52 0.00 0.00 175.17 176.18 1hm3 s TYR 417 N 0.57 2.71 0.03 -5.34 1.51 -1.26 -4.51 117.35 111.06 1hm3 s TYR 417 Ca 0.23 1.54 -0.28 0.00 -1.01 0.00 0.00 57.07 57.56 1hm3 s TYR 417 Cb -0.09 -3.16 -0.17 0.00 -0.11 0.00 0.00 41.96 38.44 1hm3 s TYR 417 CO -0.09 -1.53 1.34 1.25 -1.11 0.00 0.00 175.55 175.42 1hm3 h LEU 418 N 0.36 -0.56 -9.12 -1.29 5.85 -2.02 -3.43 115.31 105.11 1hm3 h LEU 418 Ca -0.47 -0.06 -0.68 0.00 0.84 0.00 0.00 57.88 57.51 1hm3 h LEU 418 Cb 1.24 0.14 -0.19 0.00 0.37 0.00 0.00 40.66 42.23 1hm3 h LEU 418 CO 0.55 -0.25 -0.75 0.42 -0.34 0.00 0.00 178.44 178.07 1hm3 s THR 419 N -5.14 3.26 0.25 1.05 -4.23 -1.26 -5.08 115.64 104.49 1hm3 s THR 419 Ca -0.15 -1.04 -0.31 0.00 -1.18 0.00 0.00 61.69 59.01 1hm3 s THR 419 Cb 0.03 -2.43 -0.13 0.00 1.34 0.00 0.00 72.50 71.31 1hm3 s THR 419 CO 0.55 0.31 1.47 0.47 -0.54 0.00 0.00 174.62 176.88 1hm3 n ASP 420 N 1.37 3.11 -4.58 3.99 8.00 -1.26 -4.96 116.55 122.23 1hm3 n ASP 420 Ca -0.15 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.07 1hm3 n ASP 420 Cb 0.52 -1.48 -0.05 0.00 -0.02 0.00 0.00 41.12 40.09 1hm3 n ASP 420 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1hm3 s ARG 421 N -0.38 3.68 0.85 -1.24 3.52 -1.26 -5.05 118.95 119.07 1hm3 s ARG 421 Ca 0.67 0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 56.35 1hm3 s ARG 421 Cb -0.60 -3.83 0.10 0.00 -1.56 0.00 0.00 34.95 29.06 1hm3 s ARG 421 CO 0.49 -0.87 1.09 -1.25 -0.81 0.00 0.00 175.30 173.95 1hm3 s PRO 422 N 3.04 1.65 0.46 5.12 0.04 -1.26 -4.62 135.00 139.43 1hm3 s PRO 422 Ca 0.30 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 1hm3 s PRO 422 Cb -0.13 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1hm3 s PRO 422 CO 0.17 -1.98 1.03 -0.51 0.04 0.00 0.00 177.00 175.76 1hm3 s LEU 423 N -6.06 3.93 -0.05 -3.56 1.43 -0.29 -4.93 118.68 109.15 1hm3 s LEU 423 Ca 0.62 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1hm3 s LEU 423 Cb -0.17 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 1hm3 s LEU 423 CO 0.56 -0.66 -0.04 0.35 0.23 0.00 0.00 176.35 176.79 1hm3 n THR 424 N -0.70 0.31 -2.58 5.49 -2.24 -1.26 -5.01 114.28 108.29 1hm3 n THR 424 Ca 0.08 -0.12 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 1hm3 n THR 424 Cb 0.52 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 1hm3 n THR 424 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1hm3 s LYS 425 N -2.11 4.14 0.01 -0.78 -0.14 -1.26 -5.04 119.74 114.56 1hm3 s LYS 425 Ca -0.07 1.45 0.04 0.00 -1.36 0.00 0.00 55.97 56.03 1hm3 s LYS 425 Cb 0.02 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.67 1hm3 s LYS 425 CO 0.13 -0.15 -0.11 -0.51 -0.76 0.00 0.00 175.35 173.95 1hm3 s LEU 426 N -2.76 2.97 -0.95 3.17 2.01 -1.26 -4.38 118.68 117.47 1hm3 s LEU 426 Ca 0.59 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.50 1hm3 s LEU 426 Cb -0.20 -1.71 0.00 0.00 0.01 0.00 0.00 46.19 44.29 1hm3 s LEU 426 CO 0.25 0.28 0.00 0.79 1.01 0.00 0.00 176.35 178.68 1hm3 n TRP 427 N 1.63 -0.28 -0.29 0.29 7.02 -0.09 -4.78 117.44 120.95 1hm3 n TRP 427 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 1hm3 n TRP 427 Cb 0.52 -2.24 0.00 0.00 -2.42 0.00 0.00 31.31 27.17 1hm3 n TRP 427 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1hm3 n GLY 428 N -1.31 -0.28 3.78 6.99 0.00 -1.26 -4.83 105.19 108.27 1hm3 n GLY 428 Ca -0.11 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 1hm3 n GLY 428 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hm3 s GLU 429 N -1.45 4.12 0.36 1.61 2.12 -1.25 -4.80 118.70 119.41 1hm3 s GLU 429 Ca 0.00 0.32 -0.28 0.00 0.36 0.00 0.00 54.97 55.37 1hm3 s GLU 429 Cb 0.00 -3.34 -0.11 0.00 0.26 0.00 0.00 34.13 30.95 1hm3 s GLU 429 CO 0.00 0.42 1.40 -1.14 -0.54 0.00 0.00 175.26 175.40 1hm3 s GLN 430 N -0.17 4.22 1.00 4.30 0.74 -1.26 0.63 119.66 129.12 1hm3 s GLN 430 Ca 0.22 2.40 -0.11 0.00 0.05 0.00 0.00 55.36 57.92 1hm3 s GLN 430 Cb -0.15 -3.01 0.19 0.00 1.10 0.00 0.00 33.01 31.14 1hm3 s GLN 430 CO 0.10 -0.37 1.09 0.20 -0.55 0.00 0.00 175.29 175.76 1hm3 s GLY 431 N -0.32 1.63 -0.05 2.59 0.00 -0.35 -4.80 107.32 106.03 1hm3 s GLY 431 Ca 0.51 0.25 0.16 0.00 0.00 0.00 0.00 44.72 45.64 1hm3 s GLY 431 CO 0.58 0.79 0.29 -1.14 0.00 0.00 0.00 173.10 173.62 1hm3 n SER 432 N -4.44 1.29 -4.89 1.64 3.41 -1.26 -3.73 113.62 105.63 1hm3 n SER 432 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.35 1hm3 n SER 432 Cb 0.53 1.54 -0.05 0.00 -0.26 0.00 0.00 64.21 65.97 1hm3 n SER 432 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hm3 s ASN 433 N -4.09 6.47 0.01 4.04 4.22 -1.26 -4.75 114.94 119.58 1hm3 s ASN 433 Ca -0.06 0.52 0.05 0.00 -2.14 0.00 0.00 52.86 51.23 1hm3 s ASN 433 Cb 0.09 -2.07 -0.24 0.00 1.28 0.00 0.00 41.25 40.31 1hm3 s ASN 433 CO 0.66 0.22 0.86 0.44 -2.04 0.00 0.00 177.10 177.24 1hm3 h ASP 434 N 3.71 0.16 -3.58 3.54 3.32 -1.94 0.34 116.42 121.97 1hm3 h ASP 434 Ca -0.49 -0.24 -0.62 0.00 0.02 0.00 0.00 57.03 55.70 1hm3 h ASP 434 Cb 1.19 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 1hm3 h ASP 434 CO 0.68 1.21 0.43 0.12 -1.72 0.00 0.00 179.24 179.96 1hm3 s PHE 435 N -2.63 2.95 -0.29 4.55 5.36 -1.26 -4.41 117.98 122.25 1hm3 s PHE 435 Ca -0.06 0.19 -0.15 0.00 -0.96 0.00 0.00 56.93 55.95 1hm3 s PHE 435 Cb 0.08 -3.79 0.14 0.00 -0.34 0.00 0.00 43.02 39.11 1hm3 s PHE 435 CO 0.83 -1.06 0.89 0.00 -1.46 0.00 0.00 175.22 174.42 1hm3 s ALA 436 N 3.48 -2.29 0.00 11.12 0.00 -1.22 -1.84 121.76 131.00 1hm3 s ALA 436 Ca 0.32 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.50 1hm3 s ALA 436 Cb -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1hm3 s ALA 436 CO 0.23 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1hm3 n GLY 437 N 4.33 -0.53 0.00 0.00 0.00 -0.77 -4.64 105.19 103.58 1hm3 n GLY 437 Ca -0.16 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1hm3 n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hm3 n GLY 438 N 0.00 0.78 3.78 -0.02 0.00 -1.26 -0.76 105.19 107.71 1hm3 n GLY 438 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1hm3 n GLY 438 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hm3 s VAL 439 N -2.00 4.67 -0.17 1.61 0.11 -0.54 -4.77 120.40 119.31 1hm3 s VAL 439 Ca 0.00 -0.49 -0.16 0.00 -2.93 0.00 0.00 61.98 58.40 1hm3 s VAL 439 Cb 0.00 -3.16 0.04 0.00 -1.53 0.00 0.00 36.38 31.73 1hm3 s VAL 439 CO 0.00 0.30 0.46 -0.55 -3.33 0.00 0.00 175.10 171.98 1hm3 s SER 440 N -1.88 -0.47 -0.05 3.54 0.15 -1.26 -2.38 113.70 111.34 1hm3 s SER 440 Ca 0.24 0.90 0.12 0.00 0.70 0.00 0.00 55.95 57.92 1hm3 s SER 440 Cb -0.12 0.92 0.37 0.00 -1.71 0.00 0.00 66.02 65.48 1hm3 s SER 440 CO 0.16 -0.17 1.30 -0.90 1.20 0.00 0.00 173.24 174.83 1hm3 n ASP 441 N 2.78 3.22 0.00 5.45 5.75 -0.83 -4.75 116.55 128.17 1hm3 n ASP 441 Ca -0.13 -2.30 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1hm3 n ASP 441 Cb 0.57 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1hm3 n ASP 441 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hm3 n GLY 442 N 0.21 1.36 1.14 6.12 0.00 -1.25 -4.73 105.19 108.04 1hm3 n GLY 442 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1hm3 n GLY 442 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hm3 n VAL 443 N -2.00 0.00 -4.33 1.61 0.31 -1.26 -1.29 118.33 111.37 1hm3 n VAL 443 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1hm3 n VAL 443 Cb 0.00 -0.58 -0.08 0.00 -0.91 0.00 0.00 33.84 32.26 1hm3 n VAL 443 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1hm3 s TYR 444 N -1.77 2.55 0.00 3.52 1.51 -1.26 -4.04 117.35 117.87 1hm3 s TYR 444 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1hm3 s TYR 444 Cb 0.00 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 1hm3 s TYR 444 CO 0.00 0.47 0.00 0.41 -1.11 0.00 0.00 175.55 175.32 1hm3 n GLY 445 N -0.96 0.27 3.00 0.71 0.00 -1.24 -1.96 105.19 105.00 1hm3 n GLY 445 Ca -0.04 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1hm3 n GLY 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hm3 s ALA 446 N -2.00 -0.23 0.19 4.61 0.00 -1.00 -1.27 121.76 122.05 1hm3 s ALA 446 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1hm3 s ALA 446 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1hm3 s ALA 446 CO 0.00 -0.08 -0.15 -1.12 0.00 0.00 0.00 175.76 174.41 1hm3 s SER 447 N -0.30 2.52 0.04 0.00 0.01 -0.23 -1.47 113.70 114.27 1hm3 s SER 447 Ca -0.04 -0.99 -0.08 0.00 1.31 0.00 0.00 55.95 56.15 1hm3 s SER 447 Cb -0.03 -0.13 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 1hm3 s SER 447 CO 0.00 -0.16 0.15 0.00 0.41 0.00 0.00 173.24 173.64 1hm3 s ALA 448 N -2.86 -0.22 -0.13 1.44 0.00 0.06 -0.56 121.76 119.50 1hm3 s ALA 448 Ca 0.21 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 1hm3 s ALA 448 Cb -0.01 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.46 1hm3 s ALA 448 CO 0.06 -0.36 0.28 -0.47 0.00 0.00 0.00 175.76 175.27 1hm3 s TYR 449 N -2.71 -0.44 -0.89 0.00 5.04 0.10 -1.85 117.35 116.59 1hm3 s TYR 449 Ca -0.04 0.99 -0.16 0.00 -2.44 0.00 0.00 57.07 55.43 1hm3 s TYR 449 Cb -0.00 0.02 0.19 0.00 0.35 0.00 0.00 41.96 42.51 1hm3 s TYR 449 CO -0.05 -0.34 0.94 0.00 -1.34 0.00 0.00 175.55 174.76 1hm3 s ALA 450 N 2.18 3.84 0.37 3.97 0.00 -0.77 -1.04 121.76 130.32 1hm3 s ALA 450 Ca -0.01 -3.14 -0.27 0.00 0.00 0.00 0.00 51.96 48.54 1hm3 s ALA 450 Cb -0.12 -3.74 -0.09 0.00 0.00 0.00 0.00 23.12 19.17 1hm3 s ALA 450 CO -0.09 -2.56 1.28 -1.17 0.00 0.00 0.00 175.76 173.22 1hm3 s LEU 451 N 1.10 4.30 -0.40 0.00 2.96 0.59 -4.62 118.68 122.60 1hm3 s LEU 451 Ca 0.25 2.61 0.07 0.00 -0.22 0.00 0.00 54.13 56.83 1hm3 s LEU 451 Cb -0.08 -3.82 0.18 0.00 0.50 0.00 0.00 46.19 42.97 1hm3 s LEU 451 CO -0.09 -0.68 0.66 -0.62 -1.32 0.00 0.00 176.35 174.30 1hm3 s ASP 452 N -0.71 -1.45 -0.21 3.68 3.68 -1.24 -2.03 116.67 118.39 1hm3 s ASP 452 Ca 0.54 -0.73 -0.22 0.00 2.13 0.00 0.00 52.55 54.27 1hm3 s ASP 452 Cb -0.37 1.85 0.06 0.00 -1.45 0.00 0.00 42.92 43.01 1hm3 s ASP 452 CO 0.48 -0.16 0.62 -0.47 0.13 0.00 0.00 175.17 175.77 1hm3 s TYR 453 N 1.86 -0.67 -1.42 -5.34 5.04 -0.49 -4.70 117.35 111.64 1hm3 s TYR 453 Ca 0.16 1.59 -0.04 0.00 -2.44 0.00 0.00 57.07 56.34 1hm3 s TYR 453 Cb -0.03 0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.54 1hm3 s TYR 453 CO -0.08 -0.35 0.63 -0.25 -1.34 0.00 0.00 175.55 174.17 1hm3 n ASP 454 N 2.59 -1.54 -2.91 4.32 8.00 -1.26 -1.89 116.55 123.85 1hm3 n ASP 454 Ca -0.14 -0.91 -0.22 0.00 0.71 0.00 0.00 54.79 54.23 1hm3 n ASP 454 Cb 0.56 -3.50 0.02 0.00 -0.02 0.00 0.00 41.12 38.18 1hm3 n ASP 454 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hm3 n SER 455 N -2.96 -5.88 -3.79 -2.24 7.64 -1.26 -4.96 113.62 100.16 1hm3 n SER 455 Ca -0.22 -0.23 -0.19 0.00 1.01 0.00 0.00 58.87 59.24 1hm3 n SER 455 Cb 0.64 -4.79 -0.17 0.00 -1.01 0.00 0.00 64.21 58.88 1hm3 n SER 455 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1hm3 s LEU 456 N -6.53 0.88 0.18 -3.43 2.96 -0.79 -3.64 118.68 108.30 1hm3 s LEU 456 Ca 0.25 -0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.22 1hm3 s LEU 456 Cb -0.11 -0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 1hm3 s LEU 456 CO 0.30 -0.14 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.87 1hm3 s GLN 457 N 1.42 1.42 -0.20 1.98 1.11 -0.09 -1.39 119.66 123.91 1hm3 s GLN 457 Ca -0.04 -1.46 -0.31 0.00 0.01 0.00 0.00 55.36 53.56 1hm3 s GLN 457 Cb -0.13 -1.68 0.15 0.00 -1.01 0.00 0.00 33.01 30.34 1hm3 s GLN 457 CO -0.03 0.36 1.18 0.00 0.01 0.00 0.00 175.29 176.81 1hm3 s ALA 458 N -1.69 -2.03 -0.32 6.09 0.00 -0.86 -1.10 121.76 121.85 1hm3 s ALA 458 Ca 0.18 1.66 -0.05 0.00 0.00 0.00 0.00 51.96 53.75 1hm3 s ALA 458 Cb -0.08 -0.72 0.04 0.00 0.00 0.00 0.00 23.12 22.37 1hm3 s ALA 458 CO 0.08 -0.40 0.06 0.15 0.00 0.00 0.00 175.76 175.65 1hm3 s LYS 459 N -1.62 2.62 -0.09 0.00 -0.14 0.41 -0.30 119.74 120.63 1hm3 s LYS 459 Ca 0.06 -1.16 0.01 0.00 -1.36 0.00 0.00 55.97 53.52 1hm3 s LYS 459 Cb -0.01 -3.34 -0.02 0.00 -1.68 0.00 0.00 37.83 32.78 1hm3 s LYS 459 CO -0.04 -0.61 -0.13 0.15 -0.76 0.00 0.00 175.35 173.96 1hm3 s LYS 460 N 1.36 2.97 0.08 1.68 1.02 -0.21 -1.17 119.74 125.48 1hm3 s LYS 460 Ca -0.02 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.31 1hm3 s LYS 460 Cb -0.19 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1hm3 s LYS 460 CO 0.01 0.43 -0.07 0.00 -0.92 0.00 0.00 175.35 174.80 1hm3 s ALA 461 N -0.20 0.83 -0.05 5.17 0.00 -0.05 0.02 121.76 127.48 1hm3 s ALA 461 Ca 0.01 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1hm3 s ALA 461 Cb -0.13 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1hm3 s ALA 461 CO 0.03 -0.18 -0.02 -1.58 0.00 0.00 0.00 175.76 174.01 1hm3 s TRP 462 N -2.99 0.65 -0.31 0.00 0.51 0.27 -1.60 118.94 115.47 1hm3 s TRP 462 Ca 0.05 -0.16 -0.03 0.00 -2.12 0.00 0.00 56.10 53.84 1hm3 s TRP 462 Cb 0.01 -0.69 0.05 0.00 -0.81 0.00 0.00 33.47 32.02 1hm3 s TRP 462 CO -0.04 -0.25 0.02 -0.06 -0.51 0.00 0.00 176.95 176.12 1hm3 s PHE 463 N 1.42 3.25 -0.26 -1.98 0.40 0.99 -1.06 117.98 120.75 1hm3 s PHE 463 Ca -0.03 -1.74 -0.17 0.00 -0.60 0.00 0.00 56.93 54.39 1hm3 s PHE 463 Cb -0.13 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 1hm3 s PHE 463 CO -0.03 -0.78 0.46 -0.06 0.70 0.00 0.00 175.22 175.51 1hm3 s PHE 464 N 1.29 3.27 0.00 0.36 0.40 -0.40 -0.53 117.98 122.37 1hm3 s PHE 464 Ca -0.04 0.56 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 1hm3 s PHE 464 Cb -0.20 -2.65 0.00 0.00 0.51 0.00 0.00 43.02 40.68 1hm3 s PHE 464 CO -0.00 -0.24 0.00 1.19 0.70 0.00 0.00 175.22 176.87 1hm3 n PHE 465 N 5.37 0.00 -0.09 0.36 3.01 -0.17 -3.68 117.46 122.26 1hm3 n PHE 465 Ca -0.06 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.30 1hm3 n PHE 465 Cb 0.50 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.93 1hm3 n PHE 465 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1hm3 n ASP 466 N 0.00 1.87 0.07 4.37 8.00 -1.26 -4.54 116.55 125.05 1hm3 n ASP 466 Ca 0.00 0.49 0.13 0.00 0.71 0.00 0.00 54.79 56.11 1hm3 n ASP 466 Cb 0.00 -0.84 0.39 0.00 -0.02 0.00 0.00 41.12 40.65 1hm3 n ASP 466 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hm3 n LYS 467 N -4.51 0.19 -3.67 -1.24 5.02 -1.26 -4.94 118.16 107.75 1hm3 n LYS 467 Ca -0.17 0.13 -0.10 0.00 -2.02 0.00 0.00 58.31 56.15 1hm3 n LYS 467 Cb 0.46 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1hm3 n LYS 467 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1hm3 s GLU 468 N -3.08 1.34 -0.16 1.97 1.03 -1.26 -3.97 118.70 114.57 1hm3 s GLU 468 Ca 0.10 -0.77 -0.00 0.00 0.03 0.00 0.00 54.97 54.33 1hm3 s GLU 468 Cb 0.14 0.53 0.04 0.00 -0.80 0.00 0.00 34.13 34.04 1hm3 s GLU 468 CO 0.62 -0.57 -0.08 0.42 -1.33 0.00 0.00 175.26 174.31 1hm3 s ILE 469 N -3.84 1.28 -0.21 1.83 1.09 -0.71 -1.00 121.20 119.64 1hm3 s ILE 469 Ca 0.07 -0.66 -0.20 0.00 -1.10 0.00 0.00 60.65 58.76 1hm3 s ILE 469 Cb -0.01 -1.37 -0.02 0.00 -1.06 0.00 0.00 42.46 40.00 1hm3 s ILE 469 CO -0.05 0.23 0.61 -0.69 -0.10 0.00 0.00 174.94 174.93 1hm3 s VAL 470 N 1.57 5.03 -0.25 2.92 1.01 0.31 -1.30 120.40 129.68 1hm3 s VAL 470 Ca 0.02 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 1hm3 s VAL 470 Cb -0.15 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1hm3 s VAL 470 CO -0.08 0.10 0.02 0.00 0.00 0.00 0.00 175.10 175.14 1hm3 s LEU 472 N 1.51 2.23 -0.01 0.00 1.43 -0.63 -1.60 118.68 121.62 1hm3 s LEU 472 Ca 0.05 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1hm3 s LEU 472 Cb -0.15 -1.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 1hm3 s LEU 472 CO -0.00 0.20 -0.04 -0.83 0.23 0.00 0.00 176.35 175.91 1hm3 s GLY 473 N -1.57 0.23 0.18 -3.19 0.00 -0.19 -0.87 107.32 101.91 1hm3 s GLY 473 Ca 0.12 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 1hm3 s GLY 473 CO 0.04 -0.12 0.36 0.00 0.00 0.00 0.00 173.10 173.37 1hm3 s ALA 474 N -0.04 -0.24 -1.66 3.20 0.00 -0.31 -0.92 121.76 121.78 1hm3 s ALA 474 Ca 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1hm3 s ALA 474 Cb -0.03 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1hm3 s ALA 474 CO -0.00 -0.70 0.32 0.41 0.00 0.00 0.00 175.76 175.78 1hm3 n GLY 475 N -0.26 -0.51 3.62 0.00 0.00 -1.04 -0.45 105.19 106.55 1hm3 n GLY 475 Ca -0.07 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1hm3 n GLY 475 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hm3 s ILE 476 N -3.11 4.10 0.05 -0.61 1.01 -0.49 -3.78 121.20 118.37 1hm3 s ILE 476 Ca 0.16 1.20 0.02 0.00 0.00 0.00 0.00 60.65 62.04 1hm3 s ILE 476 Cb -0.07 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1hm3 s ILE 476 CO 0.20 -0.63 -0.08 0.20 0.00 0.00 0.00 174.94 174.62 1hm3 s ASN 477 N 3.00 0.96 -0.28 3.58 0.01 -0.25 -1.93 114.94 120.03 1hm3 s ASN 477 Ca 0.56 -0.58 -0.23 0.00 -0.71 0.00 0.00 52.86 51.89 1hm3 s ASN 477 Cb -0.14 0.03 0.12 0.00 0.41 0.00 0.00 41.25 41.67 1hm3 s ASN 477 CO 0.26 -0.20 0.97 -0.55 -1.51 0.00 0.00 177.10 176.07 1hm3 s SER 478 N -1.68 -0.52 -0.20 -1.22 0.15 -1.16 -0.91 113.70 108.16 1hm3 s SER 478 Ca -0.08 0.96 0.16 0.00 0.70 0.00 0.00 55.95 57.69 1hm3 s SER 478 Cb -0.09 1.02 0.59 0.00 -1.71 0.00 0.00 66.02 65.82 1hm3 s SER 478 CO 0.00 -0.16 1.49 -0.46 1.20 0.00 0.00 173.24 175.31 1hm3 n ASN 479 N 2.58 4.17 -4.93 5.45 0.23 -1.24 -4.00 115.26 117.51 1hm3 n ASN 479 Ca -0.14 -3.05 -0.25 0.00 -0.53 0.00 0.00 54.58 50.62 1hm3 n ASN 479 Cb 0.56 -0.58 0.03 0.00 -2.08 0.00 0.00 39.78 37.71 1hm3 n ASN 479 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hm3 s ALA 480 N -2.85 3.48 0.07 -2.53 0.00 -1.26 -5.00 121.76 113.67 1hm3 s ALA 480 Ca 0.45 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1hm3 s ALA 480 Cb 0.36 -2.42 -0.28 0.00 0.00 0.00 0.00 23.12 20.78 1hm3 s ALA 480 CO 0.10 -0.72 1.13 -1.00 0.00 0.00 0.00 175.76 175.27 1hm3 h PRO 481 N -0.02 0.34 -7.05 0.00 0.13 -1.98 -3.33 132.00 120.09 1hm3 h PRO 481 Ca -0.45 -0.55 -0.55 0.00 -0.87 0.00 0.00 66.00 63.58 1hm3 h PRO 481 Cb 1.26 0.20 0.18 0.00 0.13 0.00 0.00 31.00 32.78 1hm3 h PRO 481 CO 0.59 1.25 0.18 0.39 -0.23 0.00 0.00 178.00 180.18 1hm3 n GLU 482 N -3.59 0.38 -2.28 0.86 4.71 -1.26 -4.67 120.64 114.79 1hm3 n GLU 482 Ca -0.10 0.19 -0.35 0.00 -0.01 0.00 0.00 57.16 56.90 1hm3 n GLU 482 Cb 1.02 -2.30 -0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1hm3 n GLU 482 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1hm3 s ASN 483 N -1.82 5.77 -0.16 1.62 2.47 -1.26 -4.23 114.94 117.33 1hm3 s ASN 483 Ca 0.73 2.15 -0.06 0.00 0.42 0.00 0.00 52.86 56.10 1hm3 s ASN 483 Cb -0.32 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 36.87 1hm3 s ASN 483 CO 0.51 -1.18 0.02 -0.63 -3.72 0.00 0.00 177.10 172.10 1hm3 s ILE 484 N -1.80 4.42 0.16 -5.21 -1.09 -0.64 -1.03 121.20 116.00 1hm3 s ILE 484 Ca 0.72 -0.17 0.07 0.00 -2.23 0.00 0.00 60.65 59.04 1hm3 s ILE 484 Cb -0.23 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 1hm3 s ILE 484 CO 0.26 0.49 -0.14 0.42 -1.23 0.00 0.00 174.94 174.74 1hm3 s THR 485 N 0.25 1.50 -0.19 2.92 -4.23 -0.26 0.02 115.64 115.65 1hm3 s THR 485 Ca 0.01 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1hm3 s THR 485 Cb -0.13 -1.81 0.05 0.00 1.34 0.00 0.00 72.50 71.95 1hm3 s THR 485 CO 0.01 -0.53 -0.06 -0.89 -0.54 0.00 0.00 174.62 172.61 1hm3 s THR 486 N -2.64 1.30 -0.14 3.99 2.01 -0.62 -0.38 115.64 119.15 1hm3 s THR 486 Ca 0.16 -0.82 -0.23 0.00 0.31 0.00 0.00 61.69 61.11 1hm3 s THR 486 Cb -0.02 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1hm3 s THR 486 CO 0.04 0.09 0.71 -0.89 -0.69 0.00 0.00 174.62 173.88 1hm3 s THR 487 N 1.54 5.00 0.09 -0.82 2.01 -0.17 -0.33 115.64 122.96 1hm3 s THR 487 Ca -0.01 1.40 -0.05 0.00 0.31 0.00 0.00 61.69 63.35 1hm3 s THR 487 Cb -0.16 -4.03 -0.26 0.00 0.01 0.00 0.00 72.50 68.05 1hm3 s THR 487 CO -0.08 0.15 1.18 -0.07 -0.69 0.00 0.00 174.62 175.11 1hm3 h LEU 488 N 7.65 0.47 -7.19 4.42 4.07 -0.67 0.69 115.31 124.75 1hm3 h LEU 488 Ca -0.35 -0.47 0.18 0.00 0.08 0.00 0.00 57.88 57.33 1hm3 h LEU 488 Cb 1.16 -0.15 -0.14 0.00 1.08 0.00 0.00 40.66 42.61 1hm3 h LEU 488 CO 0.78 1.34 0.59 0.21 -1.08 0.00 0.00 178.44 180.28 1hm3 s ASN 489 N -7.15 -0.24 -0.48 -0.43 3.84 -1.11 -3.90 114.94 105.47 1hm3 s ASN 489 Ca -0.05 -0.12 0.07 0.00 0.21 0.00 0.00 52.86 52.98 1hm3 s ASN 489 Cb 0.07 0.34 0.18 0.00 -0.55 0.00 0.00 41.25 41.30 1hm3 s ASN 489 CO 0.88 -0.58 0.67 -1.58 -2.79 0.00 0.00 177.10 173.70 1hm3 s GLN 490 N -2.95 0.97 0.44 0.43 0.74 -1.24 -1.85 119.66 116.21 1hm3 s GLN 490 Ca 0.09 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.67 1hm3 s GLN 490 Cb -0.00 -0.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.99 1hm3 s GLN 490 CO -0.05 -1.28 0.05 -1.54 -0.55 0.00 0.00 175.29 171.92 1hm3 s SER 491 N 1.16 3.41 0.32 6.67 1.04 -0.37 -4.83 113.70 121.11 1hm3 s SER 491 Ca 0.25 -1.59 -0.29 0.00 0.48 0.00 0.00 55.95 54.80 1hm3 s SER 491 Cb -0.02 0.33 -0.10 0.00 0.10 0.00 0.00 66.02 66.33 1hm3 s SER 491 CO -0.06 -0.80 1.34 0.26 0.98 0.00 0.00 173.24 174.96 1hm3 s TRP 492 N -3.03 2.99 0.27 5.02 0.52 -0.63 0.56 118.94 124.65 1hm3 s TRP 492 Ca 0.20 1.33 -0.29 0.00 0.02 0.00 0.00 56.10 57.36 1hm3 s TRP 492 Cb 0.04 -3.74 -0.10 0.00 -1.15 0.00 0.00 33.47 28.52 1hm3 s TRP 492 CO 0.10 -2.09 1.34 -1.17 0.02 0.00 0.00 176.95 175.15 1hm3 s LEU 493 N -1.62 4.41 -0.38 2.99 2.96 0.22 -4.44 118.68 122.82 1hm3 s LEU 493 Ca 0.51 2.61 0.04 0.00 -0.22 0.00 0.00 54.13 57.07 1hm3 s LEU 493 Cb -0.41 -3.63 0.16 0.00 0.50 0.00 0.00 46.19 42.81 1hm3 s LEU 493 CO 0.53 -0.58 0.43 0.21 -1.32 0.00 0.00 176.35 175.63 1hm3 s ASN 494 N -0.04 0.57 0.00 3.68 2.47 -1.26 -4.92 114.94 115.45 1hm3 s ASN 494 Ca 0.54 -1.47 0.00 0.00 0.42 0.00 0.00 52.86 52.35 1hm3 s ASN 494 Cb -0.39 0.85 0.00 0.00 -1.45 0.00 0.00 41.25 40.25 1hm3 s ASN 494 CO 0.46 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 174.22 1hm3 n GLY 495 N 4.20 -0.22 3.78 1.21 0.00 -1.26 -4.07 105.19 108.83 1hm3 n GLY 495 Ca 0.12 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 1hm3 n GLY 495 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hm3 s PRO 496 N -1.31 2.91 -0.32 1.61 0.04 -1.26 -4.89 135.00 131.78 1hm3 s PRO 496 Ca 0.00 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.28 1hm3 s PRO 496 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1hm3 s PRO 496 CO 0.00 -1.15 0.14 0.08 0.04 0.00 0.00 177.00 176.11 1hm3 s VAL 497 N -2.40 4.32 -0.10 -0.36 1.01 -1.02 -4.58 120.40 117.26 1hm3 s VAL 497 Ca 0.66 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1hm3 s VAL 497 Cb -0.19 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1hm3 s VAL 497 CO 0.41 -0.03 0.11 -0.63 0.00 0.00 0.00 175.10 174.96 1hm3 s ILE 498 N 1.54 5.21 0.15 2.22 1.01 -0.14 -0.60 121.20 130.59 1hm3 s ILE 498 Ca 0.03 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1hm3 s ILE 498 Cb -0.18 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1hm3 s ILE 498 CO 0.05 0.59 0.14 -1.54 0.00 0.00 0.00 174.94 174.18 1hm3 n SER 499 N 1.92 -0.36 -4.54 3.58 3.41 -0.30 0.12 113.62 117.44 1hm3 n SER 499 Ca -0.19 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.02 1hm3 n SER 499 Cb 0.54 0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 65.26 1hm3 n SER 499 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1hm3 n THR 500 N -0.29 0.08 -3.20 6.66 -1.04 -0.89 -3.26 114.28 112.35 1hm3 n THR 500 Ca 0.03 -0.53 -0.17 0.00 -2.04 0.00 0.00 64.05 61.34 1hm3 n THR 500 Cb 0.28 -2.29 0.02 0.00 -1.82 0.00 0.00 70.33 66.51 1hm3 n THR 500 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hm3 n ALA 501 N 13.19 -2.49 0.00 2.41 0.00 -1.26 -5.00 120.51 127.37 1hm3 n ALA 501 Ca 0.39 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1hm3 n ALA 501 Cb 0.41 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1hm3 n ALA 501 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hm3 n GLY 502 N 0.37 3.84 3.35 0.00 0.00 -1.20 -5.14 105.19 106.41 1hm3 n GLY 502 Ca -0.01 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1hm3 n GLY 502 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hm3 s LYS 503 N -1.64 3.34 -0.18 1.61 0.00 -1.26 -1.15 119.74 120.45 1hm3 s LYS 503 Ca 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 55.97 55.23 1hm3 s LYS 503 Cb 0.00 -2.59 -0.02 0.00 0.00 0.00 0.00 37.83 35.22 1hm3 s LYS 503 CO 0.00 0.22 -0.05 0.99 0.00 0.00 0.00 175.35 176.50 1hm3 s THR 504 N 0.34 3.53 0.42 3.79 2.01 0.23 -4.99 115.64 120.97 1hm3 s THR 504 Ca -0.12 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.47 1hm3 s THR 504 Cb -0.16 -2.57 0.07 0.00 0.01 0.00 0.00 72.50 69.86 1hm3 s THR 504 CO 0.06 0.46 0.58 0.61 -0.69 0.00 0.00 174.62 175.64 1hm3 n GLY 505 N 4.13 1.62 3.62 4.40 0.00 -1.26 -2.44 105.19 115.25 1hm3 n GLY 505 Ca -0.18 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.34 1hm3 n GLY 505 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hm3 n ARG 506 N -1.96 0.55 -2.09 1.61 0.63 -1.26 -3.82 116.66 110.31 1hm3 n ARG 506 Ca 0.11 0.24 -0.17 0.00 -0.92 0.00 0.00 57.85 57.12 1hm3 n ARG 506 Cb 0.41 -2.22 -0.03 0.00 0.45 0.00 0.00 32.46 31.07 1hm3 n ARG 506 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hm3 n GLY 507 N 1.11 0.24 3.50 5.14 0.00 -0.33 -4.93 105.19 109.92 1hm3 n GLY 507 Ca 0.13 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1hm3 n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hm3 s LYS 508 N -4.44 1.77 -0.05 1.61 -0.14 -1.25 -4.72 119.74 112.52 1hm3 s LYS 508 Ca 0.00 -1.76 -0.02 0.00 -1.36 0.00 0.00 55.97 52.83 1hm3 s LYS 508 Cb 0.00 -1.80 0.04 0.00 -1.68 0.00 0.00 37.83 34.39 1hm3 s LYS 508 CO 0.00 0.30 0.10 -1.50 -0.76 0.00 0.00 175.35 173.49 1hm3 s ILE 509 N -2.51 -0.08 -0.04 2.17 -1.16 -1.26 -0.13 121.20 118.19 1hm3 s ILE 509 Ca 0.31 0.23 -0.02 0.00 -0.51 0.00 0.00 60.65 60.66 1hm3 s ILE 509 Cb -0.04 -0.19 0.02 0.00 0.61 0.00 0.00 42.46 42.86 1hm3 s ILE 509 CO 0.16 0.10 0.09 0.28 -2.81 0.00 0.00 174.94 172.75 1hm3 s THR 510 N 1.35 -0.02 -0.13 4.00 -1.32 0.26 -5.00 115.64 114.78 1hm3 s THR 510 Ca -0.07 0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.51 1hm3 s THR 510 Cb -0.12 -0.14 0.01 0.00 -1.51 0.00 0.00 72.50 70.74 1hm3 s THR 510 CO -0.05 0.03 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.32 1hm3 s THR 511 N 0.47 1.82 0.09 5.08 2.01 -1.26 -0.02 115.64 123.82 1hm3 s THR 511 Ca -0.04 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1hm3 s THR 511 Cb -0.05 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.86 1hm3 s THR 511 CO -0.02 0.50 0.41 0.72 -0.69 0.00 0.00 174.62 175.55 1hm3 s PHE 512 N 0.96 -0.24 -0.53 4.92 -0.12 -0.45 -5.00 117.98 117.52 1hm3 s PHE 512 Ca -0.05 0.07 -0.21 0.00 -0.05 0.00 0.00 56.93 56.69 1hm3 s PHE 512 Cb -0.15 0.25 0.05 0.00 -0.63 0.00 0.00 43.02 42.54 1hm3 s PHE 512 CO -0.03 -0.64 0.75 0.21 -0.05 0.00 0.00 175.22 175.46 1hm3 s LYS 513 N -3.15 3.20 0.28 1.99 2.20 -1.26 -0.69 119.74 122.31 1hm3 s LYS 513 Ca -0.01 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 1hm3 s LYS 513 Cb 0.01 -4.09 -0.10 0.00 -1.51 0.00 0.00 37.83 32.14 1hm3 s LYS 513 CO -0.07 -1.35 1.11 0.00 -0.36 0.00 0.00 175.35 174.68 1hm3 s ALA 514 N 3.16 3.41 0.67 3.13 0.00 0.19 -4.89 121.76 127.43 1hm3 s ALA 514 Ca 0.21 0.91 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 1hm3 s ALA 514 Cb -0.17 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.69 1hm3 s ALA 514 CO 0.14 -0.18 0.95 -0.65 0.00 0.00 0.00 175.76 176.03 1hm3 s GLN 515 N -1.45 2.12 0.33 0.00 -1.52 -1.26 -1.35 119.66 116.53 1hm3 s GLN 515 Ca 0.45 -0.59 -0.28 0.00 -1.95 0.00 0.00 55.36 52.99 1hm3 s GLN 515 Cb -0.32 -2.28 -0.13 0.00 -0.22 0.00 0.00 33.01 30.06 1hm3 s GLN 515 CO 0.42 -1.18 1.17 0.41 -0.25 0.00 0.00 175.29 175.85 1hm3 n GLY 516 N -2.78 0.23 2.43 3.09 0.00 -1.26 -2.10 105.19 104.80 1hm3 n GLY 516 Ca 0.10 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.35 1hm3 n GLY 516 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hm3 n GLN 517 N 0.55 -0.93 -1.90 1.61 6.02 0.13 -4.83 117.38 118.04 1hm3 n GLN 517 Ca 0.07 0.62 -0.34 0.00 -0.01 0.00 0.00 57.00 57.34 1hm3 n GLN 517 Cb 0.35 -4.53 0.03 0.00 1.02 0.00 0.00 30.24 27.11 1hm3 n GLN 517 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1hm3 s PHE 518 N -1.98 2.65 -0.03 1.08 5.36 -0.89 -4.75 117.98 119.42 1hm3 s PHE 518 Ca 0.00 1.55 -0.15 0.00 -0.96 0.00 0.00 56.93 57.37 1hm3 s PHE 518 Cb 0.00 -3.19 0.02 0.00 -0.34 0.00 0.00 43.02 39.51 1hm3 s PHE 518 CO 0.00 -1.63 0.31 1.67 -1.46 0.00 0.00 175.22 174.11 1hm3 s TRP 519 N -2.20 -0.20 0.09 10.12 1.48 -1.26 -1.01 118.94 125.95 1hm3 s TRP 519 Ca 0.68 0.34 0.08 0.00 -1.06 0.00 0.00 56.10 56.14 1hm3 s TRP 519 Cb -0.21 0.10 -0.03 0.00 -1.16 0.00 0.00 33.47 32.17 1hm3 s TRP 519 CO 0.38 -0.37 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.19 1hm3 s LEU 520 N -1.17 2.28 -0.05 -4.66 1.43 -0.54 -2.09 118.68 113.88 1hm3 s LEU 520 Ca -0.12 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1hm3 s LEU 520 Cb -0.05 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.36 1hm3 s LEU 520 CO 0.04 0.05 -0.03 -0.22 0.23 0.00 0.00 176.35 176.42 1hm3 s LEU 521 N -1.77 1.13 -0.21 1.79 2.96 0.32 -0.50 118.68 122.39 1hm3 s LEU 521 Ca 0.05 -0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 1hm3 s LEU 521 Cb -0.10 -0.43 0.06 0.00 0.50 0.00 0.00 46.19 46.23 1hm3 s LEU 521 CO 0.04 -0.09 0.52 -2.28 -1.32 0.00 0.00 176.35 173.21 1hm3 s HIS 522 N 1.20 -0.74 -1.52 5.38 5.65 -0.64 -0.97 115.29 123.65 1hm3 s HIS 522 Ca -0.07 1.58 -0.12 0.00 0.25 0.00 0.00 55.06 56.70 1hm3 s HIS 522 Cb -0.14 0.37 0.08 0.00 -1.18 0.00 0.00 32.58 31.71 1hm3 s HIS 522 CO -0.02 -0.39 0.91 -3.47 -0.65 0.00 0.00 174.74 171.13 1hm3 n ASP 523 N 3.95 -4.07 0.00 9.88 2.03 -1.26 -0.73 116.55 126.35 1hm3 n ASP 523 Ca -0.20 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1hm3 n ASP 523 Cb 0.57 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.20 1hm3 n ASP 523 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hm3 n ALA 524 N -4.60 0.00 -3.04 -1.67 0.00 -1.26 -4.91 120.51 105.02 1hm3 n ALA 524 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 1hm3 n ALA 524 Cb 0.55 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 19.31 1hm3 n ALA 524 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hm3 s ILE 525 N -2.06 4.13 -0.00 0.00 1.01 0.09 -0.61 121.20 123.75 1hm3 s ILE 525 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1hm3 s ILE 525 Cb 0.00 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1hm3 s ILE 525 CO 0.00 0.42 0.24 -0.83 0.00 0.00 0.00 174.94 174.77 1hm3 s GLY 526 N 1.00 2.23 -0.25 6.18 0.00 0.11 -1.62 107.32 114.97 1hm3 s GLY 526 Ca 0.02 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1hm3 s GLY 526 CO 0.02 -0.45 -0.03 -0.19 0.00 0.00 0.00 173.10 172.45 1hm3 s TYR 527 N -1.30 2.49 -0.16 1.90 1.51 0.34 0.20 117.35 122.33 1hm3 s TYR 527 Ca 0.27 -1.89 -0.06 0.00 -1.01 0.00 0.00 57.07 54.38 1hm3 s TYR 527 Cb -0.13 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1hm3 s TYR 527 CO 0.16 -0.80 0.03 -0.47 -1.11 0.00 0.00 175.55 173.36 1hm3 s TYR 528 N 1.36 3.20 -0.43 2.71 5.04 0.31 -1.47 117.35 128.07 1hm3 s TYR 528 Ca -0.03 0.03 -0.02 0.00 -2.44 0.00 0.00 57.07 54.61 1hm3 s TYR 528 Cb -0.19 -1.99 0.12 0.00 0.35 0.00 0.00 41.96 40.25 1hm3 s TYR 528 CO -0.08 0.20 0.23 -0.06 -1.34 0.00 0.00 175.55 174.49 1hm3 s PHE 529 N 0.07 3.57 0.20 4.97 0.40 -0.18 0.12 117.98 127.13 1hm3 s PHE 529 Ca 0.04 -2.50 -0.12 0.00 -0.60 0.00 0.00 56.93 53.75 1hm3 s PHE 529 Cb -0.13 -3.20 0.25 0.00 0.51 0.00 0.00 43.02 40.46 1hm3 s PHE 529 CO 0.01 -0.95 1.68 -1.35 0.70 0.00 0.00 175.22 175.31 1hm3 h PRO 530 N 7.87 0.13 -0.33 0.24 0.11 -1.86 0.38 132.00 138.55 1hm3 h PRO 530 Ca -0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1hm3 h PRO 530 Cb 1.03 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1hm3 h PRO 530 CO 0.69 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.96 1hm3 n GLU 531 N -5.24 3.03 0.00 1.05 1.02 -1.26 -2.88 120.64 116.35 1hm3 n GLU 531 Ca 0.08 -2.57 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 1hm3 n GLU 531 Cb 0.32 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1hm3 n GLU 531 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hm3 n GLY 532 N 0.01 -1.49 0.00 0.62 0.00 -1.03 -4.38 105.19 98.92 1hm3 n GLY 532 Ca 0.18 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1hm3 n GLY 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hm3 n ALA 533 N 0.83 0.00 -2.88 4.61 0.00 -0.46 -4.84 120.51 117.77 1hm3 n ALA 533 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1hm3 n ALA 533 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1hm3 n ALA 533 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1hm3 s ASN 534 N 0.00 6.19 0.27 0.00 0.01 -1.26 0.57 114.94 120.72 1hm3 s ASN 534 Ca 0.00 -1.07 0.04 0.00 -0.71 0.00 0.00 52.86 51.11 1hm3 s ASN 534 Cb 0.00 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 1hm3 s ASN 534 CO 0.00 -1.40 0.42 -0.76 -1.51 0.00 0.00 177.10 173.85 1hm3 s LEU 535 N 3.89 4.22 -0.11 0.60 1.43 0.13 -0.66 118.68 128.19 1hm3 s LEU 535 Ca 0.22 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1hm3 s LEU 535 Cb -0.17 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.10 1hm3 s LEU 535 CO 0.09 -0.14 0.11 -0.44 0.23 0.00 0.00 176.35 176.19 1hm3 s SER 536 N -4.00 1.51 -0.17 2.29 0.01 -0.54 -1.34 113.70 111.46 1hm3 s SER 536 Ca 0.36 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.46 1hm3 s SER 536 Cb -0.09 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 1hm3 s SER 536 CO 0.31 -0.29 -0.10 -0.22 0.41 0.00 0.00 173.24 173.35 1hm3 s LEU 537 N 2.20 2.74 -0.01 2.44 2.96 0.98 -1.91 118.68 128.07 1hm3 s LEU 537 Ca 0.04 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1hm3 s LEU 537 Cb -0.14 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1hm3 s LEU 537 CO -0.07 0.08 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.30 1hm3 s SER 538 N 0.87 2.30 -0.04 3.68 0.15 0.33 -0.58 113.70 120.41 1hm3 s SER 538 Ca -0.03 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.32 1hm3 s SER 538 Cb -0.15 -0.25 0.09 0.00 -1.71 0.00 0.00 66.02 64.00 1hm3 s SER 538 CO 0.00 0.24 1.02 0.35 1.20 0.00 0.00 173.24 176.04 1hm3 n THR 539 N 2.57 0.62 -1.35 6.45 -2.24 0.82 -0.96 114.28 120.19 1hm3 n THR 539 Ca -0.15 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 1hm3 n THR 539 Cb 0.53 0.30 0.09 0.00 -2.10 0.00 0.00 70.33 69.16 1hm3 n THR 539 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1hm3 s GLN 540 N -0.93 2.11 0.22 -0.78 -0.21 -1.22 -1.18 119.66 117.67 1hm3 s GLN 540 Ca 0.10 0.95 -0.30 0.00 0.02 0.00 0.00 55.36 56.13 1hm3 s GLN 540 Cb 0.09 -1.90 -0.09 0.00 1.00 0.00 0.00 33.01 32.12 1hm3 s GLN 540 CO 0.01 -1.68 0.94 0.45 -2.12 0.00 0.00 175.29 172.89 1hm3 s SER 541 N -3.56 7.63 0.13 5.90 0.15 -1.26 -1.16 113.70 121.52 1hm3 s SER 541 Ca 0.61 1.93 0.08 0.00 0.70 0.00 0.00 55.95 59.28 1hm3 s SER 541 Cb -0.16 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1hm3 s SER 541 CO 0.56 0.13 -0.20 -1.10 1.20 0.00 0.00 173.24 173.82 1hm3 s GLN 542 N -1.02 1.20 0.16 5.44 -0.21 -0.32 -4.90 119.66 120.01 1hm3 s GLN 542 Ca 0.42 -1.27 -0.04 0.00 0.02 0.00 0.00 55.36 54.49 1hm3 s GLN 542 Cb -0.26 -1.39 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 1hm3 s GLN 542 CO 0.32 0.31 0.16 -1.59 -2.12 0.00 0.00 175.29 172.37 1hm3 s LYS 543 N -2.26 1.08 0.00 2.91 0.00 -1.26 -2.33 119.74 117.87 1hm3 s LYS 543 Ca 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 55.97 54.69 1hm3 s LYS 543 Cb -0.08 0.30 0.00 0.00 0.00 0.00 0.00 37.83 38.05 1hm3 s LYS 543 CO 0.05 -0.35 0.00 0.41 0.00 0.00 0.00 175.35 175.46 1hm3 n GLY 544 N -0.18 1.48 3.75 0.59 0.00 -0.85 -4.69 105.19 105.30 1hm3 n GLY 544 Ca -0.05 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 1hm3 n GLY 544 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hm3 s ASN 545 N 0.00 4.48 0.20 1.61 2.20 -1.25 -0.98 114.94 121.19 1hm3 s ASN 545 Ca 0.00 -1.05 0.03 0.00 -0.94 0.00 0.00 52.86 50.89 1hm3 s ASN 545 Cb 0.00 -0.49 0.12 0.00 -2.00 0.00 0.00 41.25 38.88 1hm3 s ASN 545 CO 0.00 -0.55 1.47 -0.50 -2.94 0.00 0.00 177.10 174.57 1hm3 h TRP 546 N 1.39 0.34 -0.57 1.54 4.06 -1.74 -3.31 115.95 117.66 1hm3 h TRP 546 Ca -0.43 -0.16 0.12 0.00 2.06 0.00 0.00 58.89 60.48 1hm3 h TRP 546 Cb 1.25 -0.05 -0.10 0.00 -1.00 0.00 0.00 29.16 29.26 1hm3 h TRP 546 CO 0.62 0.89 -0.02 0.35 -3.56 0.00 0.00 178.44 176.72 1hm3 h PHE 547 N 0.17 -0.08 0.00 0.49 3.57 -1.37 0.23 116.94 119.95 1hm3 h PHE 547 Ca -0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1hm3 h PHE 547 Cb 1.30 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1hm3 h PHE 547 CO 0.03 -0.16 0.00 -2.39 -2.23 0.00 0.00 178.31 173.56 1hm3 n HIS 548 N -5.29 0.00 0.16 0.41 1.44 -1.25 -1.56 115.22 109.15 1hm3 n HIS 548 Ca 0.07 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.81 1hm3 n HIS 548 Cb 0.32 -0.48 -0.03 0.00 0.12 0.00 0.00 29.99 29.92 1hm3 n HIS 548 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1hm3 n ILE 549 N -1.48 0.00 -3.15 0.61 -5.35 -0.51 -4.65 119.36 104.83 1hm3 n ILE 549 Ca 0.02 -0.31 0.04 0.00 -0.27 0.00 0.00 62.75 62.23 1hm3 n ILE 549 Cb 0.10 0.83 -0.00 0.00 -1.74 0.00 0.00 39.64 38.83 1hm3 n ILE 549 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1hm3 s ASN 550 N -1.76 -1.55 0.00 7.28 3.84 0.70 -0.12 114.94 123.34 1hm3 s ASN 550 Ca 0.01 0.37 0.04 0.00 0.21 0.00 0.00 52.86 53.49 1hm3 s ASN 550 Cb 0.04 2.06 0.23 0.00 -0.55 0.00 0.00 41.25 43.03 1hm3 s ASN 550 CO 0.20 -0.29 0.95 0.59 -2.79 0.00 0.00 177.10 175.76 1hm3 n ASN 551 N 5.42 0.00 -0.29 -4.21 5.03 -0.79 -1.72 115.26 118.71 1hm3 n ASN 551 Ca 0.03 0.18 0.13 0.00 0.87 0.00 0.00 54.58 55.79 1hm3 n ASN 551 Cb 0.53 -0.26 0.59 0.00 -1.02 0.00 0.00 39.78 39.63 1hm3 n ASN 551 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1hm3 n SER 552 N -1.26 0.89 -4.41 6.41 7.64 -1.26 -4.92 113.62 116.72 1hm3 n SER 552 Ca 0.02 -1.42 -0.20 0.00 1.01 0.00 0.00 58.87 58.28 1hm3 n SER 552 Cb 0.03 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1hm3 n SER 552 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1hm3 s HIS 553 N -1.94 1.84 0.18 1.43 3.76 -0.70 -4.97 115.29 114.88 1hm3 s HIS 553 Ca 0.37 -0.92 -0.31 0.00 -0.15 0.00 0.00 55.06 54.05 1hm3 s HIS 553 Cb 0.19 -1.14 -0.16 0.00 1.11 0.00 0.00 32.58 32.58 1hm3 s HIS 553 CO 0.30 0.02 0.90 0.45 -0.85 0.00 0.00 174.74 175.56 1hm3 n SER 554 N -0.59 0.26 -0.41 1.40 2.88 -1.26 -3.58 113.62 112.32 1hm3 n SER 554 Ca -0.03 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.79 1hm3 n SER 554 Cb 0.65 -1.10 0.57 0.00 -0.75 0.00 0.00 64.21 63.59 1hm3 n SER 554 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1hm3 n LYS 555 N 1.26 1.57 -2.08 -1.46 5.02 -1.26 -1.65 118.16 119.55 1hm3 n LYS 555 Ca 0.16 -0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 55.21 1hm3 n LYS 555 Cb 0.24 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1hm3 n LYS 555 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hm3 s ASP 556 N -1.96 6.73 0.22 4.39 1.01 -1.26 -4.77 116.67 121.02 1hm3 s ASP 556 Ca 0.39 2.70 -0.30 0.00 0.71 0.00 0.00 52.55 56.05 1hm3 s ASP 556 Cb 0.21 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.41 1hm3 s ASP 556 CO 0.33 -0.59 1.16 -0.70 0.21 0.00 0.00 175.17 175.59 1hm3 s GLU 557 N -1.48 4.54 0.11 8.23 2.12 -1.26 -4.38 118.70 126.57 1hm3 s GLU 557 Ca 0.51 1.86 0.10 0.00 0.36 0.00 0.00 54.97 57.80 1hm3 s GLU 557 Cb -0.40 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1hm3 s GLU 557 CO 0.51 0.01 -0.23 0.14 -0.54 0.00 0.00 175.26 175.14 1hm3 s VAL 558 N -0.43 2.47 0.09 3.70 -7.23 -0.16 -4.95 120.40 113.90 1hm3 s VAL 558 Ca 0.50 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1hm3 s VAL 558 Cb -0.32 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1hm3 s VAL 558 CO 0.38 0.15 0.06 -0.44 -0.31 0.00 0.00 175.10 174.95 1hm3 s SER 559 N -1.93 0.33 0.00 4.85 0.01 -1.26 -2.00 113.70 113.70 1hm3 s SER 559 Ca 0.15 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1hm3 s SER 559 Cb -0.10 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1hm3 s SER 559 CO 0.07 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1hm3 n GLY 560 N -0.01 1.86 3.71 3.44 0.00 -0.99 -5.00 105.19 108.21 1hm3 n GLY 560 Ca -0.11 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1hm3 n GLY 560 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hm3 s ASP 561 N 0.00 7.01 -0.10 1.61 -0.00 -1.26 -1.18 116.67 122.75 1hm3 s ASP 561 Ca 0.00 2.09 0.04 0.00 -0.00 0.00 0.00 52.55 54.68 1hm3 s ASP 561 Cb 0.00 -2.58 -0.00 0.00 -0.00 0.00 0.00 42.92 40.34 1hm3 s ASP 561 CO 0.00 -0.52 -0.24 -0.69 -0.00 0.00 0.00 175.17 173.72 1hm3 s VAL 562 N 1.11 2.05 -0.42 -1.27 1.01 -0.31 -0.61 120.40 121.96 1hm3 s VAL 562 Ca 0.60 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1hm3 s VAL 562 Cb -0.31 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1hm3 s VAL 562 CO 0.29 0.56 0.81 0.12 0.00 0.00 0.00 175.10 176.88 1hm3 s PHE 563 N 0.33 3.03 -0.12 5.22 5.36 0.19 -3.66 117.98 128.34 1hm3 s PHE 563 Ca -0.19 0.36 0.01 0.00 -0.96 0.00 0.00 56.93 56.15 1hm3 s PHE 563 Cb -0.18 -3.61 0.02 0.00 -0.34 0.00 0.00 43.02 38.91 1hm3 s PHE 563 CO 0.09 -0.90 -0.13 0.21 -1.46 0.00 0.00 175.22 173.03 1hm3 s LYS 564 N 3.29 2.00 -0.06 10.12 2.20 -0.13 -1.24 119.74 135.93 1hm3 s LYS 564 Ca 0.32 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1hm3 s LYS 564 Cb -0.12 -1.83 0.02 0.00 -1.51 0.00 0.00 37.83 34.39 1hm3 s LYS 564 CO 0.21 -0.17 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.80 1hm3 s LEU 565 N 1.31 1.36 0.23 5.43 2.96 -0.77 -0.51 118.68 128.69 1hm3 s LEU 565 Ca -0.00 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.61 1hm3 s LEU 565 Cb -0.14 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.94 1hm3 s LEU 565 CO -0.06 -0.04 0.40 -1.66 -1.32 0.00 0.00 176.35 173.67 1hm3 s TRP 566 N 0.99 0.53 -0.09 5.38 -2.14 -0.80 0.11 118.94 122.91 1hm3 s TRP 566 Ca -0.09 -0.86 -0.01 0.00 2.66 0.00 0.00 56.10 57.80 1hm3 s TRP 566 Cb -0.14 0.02 -0.03 0.00 -3.10 0.00 0.00 33.47 30.22 1hm3 s TRP 566 CO 0.00 -0.91 -0.05 0.42 -2.66 0.00 0.00 176.95 173.75 1hm3 s ILE 567 N -4.04 3.82 -0.28 0.66 1.01 0.55 -1.46 121.20 121.45 1hm3 s ILE 567 Ca 0.26 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 1hm3 s ILE 567 Cb 0.01 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 1hm3 s ILE 567 CO 0.09 0.57 0.18 0.20 0.00 0.00 0.00 174.94 175.99 1hm3 s ASN 568 N -0.51 5.95 0.00 3.58 0.01 0.17 -1.59 114.94 122.54 1hm3 s ASN 568 Ca 0.08 -0.04 0.22 0.00 -0.71 0.00 0.00 52.86 52.41 1hm3 s ASN 568 Cb -0.12 -2.10 -0.06 0.00 0.41 0.00 0.00 41.25 39.38 1hm3 s ASN 568 CO 0.02 -0.05 1.00 1.41 -1.51 0.00 0.00 177.10 177.96 1hm3 n HIS 569 N 5.05 0.02 0.00 2.20 8.25 0.10 -4.63 115.22 126.21 1hm3 n HIS 569 Ca -0.14 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1hm3 n HIS 569 Cb 0.52 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1hm3 n HIS 569 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hm3 n GLY 570 N 1.48 -1.07 3.81 -1.41 0.00 -1.21 -4.63 105.19 102.16 1hm3 n GLY 570 Ca 0.04 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 1hm3 n GLY 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hm3 s ALA 571 N -1.89 2.95 -1.34 4.61 0.00 -1.26 -1.62 121.76 123.21 1hm3 s ALA 571 Ca 0.00 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 1hm3 s ALA 571 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.94 1hm3 s ALA 571 CO 0.00 -0.16 0.46 0.54 0.00 0.00 0.00 175.76 176.60 1hm3 n ARG 572 N -0.99 -1.65 -1.23 0.00 1.74 -1.25 -4.92 116.66 108.36 1hm3 n ARG 572 Ca 0.08 0.27 -0.32 0.00 -0.77 0.00 0.00 57.85 57.11 1hm3 n ARG 572 Cb 0.53 -3.78 0.10 0.00 -1.02 0.00 0.00 32.46 28.30 1hm3 n ARG 572 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hm3 s PRO 573 N -6.83 1.99 -0.18 5.56 0.04 -1.26 -4.80 135.00 129.52 1hm3 s PRO 573 Ca 0.21 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 1hm3 s PRO 573 Cb -0.10 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.65 1hm3 s PRO 573 CO 0.93 -1.88 0.04 -2.00 0.04 0.00 0.00 177.00 174.12 1hm3 s GLU 574 N -4.48 0.58 -1.62 4.56 2.12 -1.24 -2.99 118.70 115.63 1hm3 s GLU 574 Ca 0.66 -0.34 -0.00 0.00 0.36 0.00 0.00 54.97 55.65 1hm3 s GLU 574 Cb -0.22 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.18 1hm3 s GLU 574 CO 0.52 -0.62 0.03 -1.71 -0.54 0.00 0.00 175.26 172.93 1hm3 n ASN 575 N 5.08 -5.48 -4.69 -1.70 5.15 -0.95 -4.95 115.26 107.73 1hm3 n ASN 575 Ca -0.09 0.02 -0.29 0.00 -0.60 0.00 0.00 54.58 53.62 1hm3 n ASN 575 Cb 0.48 -4.57 0.16 0.00 -0.53 0.00 0.00 39.78 35.32 1hm3 n ASN 575 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hm3 s ALA 576 N -2.95 1.14 0.32 5.20 0.00 -0.81 -4.38 121.76 120.27 1hm3 s ALA 576 Ca 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.65 1hm3 s ALA 576 Cb -0.01 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1hm3 s ALA 576 CO 0.02 -2.68 0.54 1.14 0.00 0.00 0.00 175.76 174.77 1hm3 s GLN 577 N -4.94 1.84 0.15 0.00 -2.07 -1.26 -1.40 119.66 111.98 1hm3 s GLN 577 Ca 0.65 -1.51 -0.19 0.00 -1.82 0.00 0.00 55.36 52.48 1hm3 s GLN 577 Cb -0.19 0.49 0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1hm3 s GLN 577 CO 0.58 -0.79 0.50 1.52 -1.32 0.00 0.00 175.29 175.78 1hm3 s TYR 578 N -3.26 -0.36 -0.26 9.60 -0.85 -0.10 -4.95 117.35 117.16 1hm3 s TYR 578 Ca 0.25 0.09 -0.10 0.00 -0.52 0.00 0.00 57.07 56.79 1hm3 s TYR 578 Cb -0.01 0.41 0.11 0.00 0.38 0.00 0.00 41.96 42.85 1hm3 s TYR 578 CO 0.14 -0.79 0.58 0.00 -1.52 0.00 0.00 175.55 173.97 1hm3 s ALA 579 N -3.78 -1.74 -0.05 9.51 0.00 -1.26 -1.02 121.76 123.42 1hm3 s ALA 579 Ca 0.02 2.09 -0.12 0.00 0.00 0.00 0.00 51.96 53.95 1hm3 s ALA 579 Cb 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1hm3 s ALA 579 CO -0.12 -0.78 0.29 1.52 0.00 0.00 0.00 175.76 176.66 1hm3 s TYR 580 N 2.60 -0.22 -0.12 0.00 -0.85 -0.63 -4.34 117.35 113.80 1hm3 s TYR 580 Ca -0.06 0.44 0.01 0.00 -0.52 0.00 0.00 57.07 56.94 1hm3 s TYR 580 Cb -0.11 0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 1hm3 s TYR 580 CO -0.17 -0.29 -0.14 0.42 -1.52 0.00 0.00 175.55 173.86 1hm3 s ILE 581 N -0.74 3.02 -0.20 -3.49 1.01 0.12 -0.83 121.20 120.09 1hm3 s ILE 581 Ca -0.08 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 1hm3 s ILE 581 Cb -0.04 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1hm3 s ILE 581 CO 0.02 0.54 0.12 -0.69 0.00 0.00 0.00 174.94 174.93 1hm3 s VAL 582 N 0.18 5.24 -0.42 2.92 1.01 -0.42 -0.53 120.40 128.38 1hm3 s VAL 582 Ca -0.08 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1hm3 s VAL 582 Cb -0.15 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 32.94 1hm3 s VAL 582 CO 0.05 0.43 0.14 -0.76 0.00 0.00 0.00 175.10 174.96 1hm3 s LEU 583 N 0.50 4.60 0.29 3.92 1.02 0.13 -1.74 118.68 127.39 1hm3 s LEU 583 Ca 0.07 -2.52 -0.28 0.00 0.02 0.00 0.00 54.13 51.42 1hm3 s LEU 583 Cb -0.12 -1.64 -0.09 0.00 0.02 0.00 0.00 46.19 44.36 1hm3 s LEU 583 CO -0.00 -0.32 0.95 -2.84 0.02 0.00 0.00 176.35 174.16 1hm3 s PRO 584 N 0.40 4.69 0.00 1.29 0.02 -1.25 0.08 135.00 140.22 1hm3 s PRO 584 Ca 0.13 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1hm3 s PRO 584 Cb -0.22 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1hm3 s PRO 584 CO -0.05 0.37 0.00 0.41 -0.33 0.00 0.00 177.00 177.40 1hm3 n GLY 585 N 0.99 0.86 3.63 0.52 0.00 0.05 -4.95 105.19 106.30 1hm3 n GLY 585 Ca 0.00 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1hm3 n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hm3 s ILE 586 N -2.56 5.06 -0.72 -0.61 -1.09 0.21 -4.93 121.20 116.56 1hm3 s ILE 586 Ca 0.00 0.96 0.17 0.00 -2.23 0.00 0.00 60.65 59.55 1hm3 s ILE 586 Cb 0.00 -3.86 -0.20 0.00 -1.58 0.00 0.00 42.46 36.83 1hm3 s ILE 586 CO 0.00 0.10 0.69 0.59 -1.23 0.00 0.00 174.94 175.08 1hm3 n ASN 587 N 5.38 0.82 -3.77 3.58 3.02 -1.26 -4.39 115.26 118.65 1hm3 n ASN 587 Ca -0.03 -0.80 -0.13 0.00 -0.03 0.00 0.00 54.58 53.59 1hm3 n ASN 587 Cb 0.50 1.09 -0.12 0.00 -0.61 0.00 0.00 39.78 40.64 1hm3 n ASN 587 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hm3 s LYS 588 N -2.68 0.25 0.36 3.52 1.02 -1.26 -5.03 119.74 115.91 1hm3 s LYS 588 Ca 0.05 0.40 0.13 0.00 0.02 0.00 0.00 55.97 56.58 1hm3 s LYS 588 Cb 0.13 0.04 0.97 0.00 -0.52 0.00 0.00 37.83 38.44 1hm3 s LYS 588 CO 0.70 -0.08 1.77 -1.35 -0.92 0.00 0.00 175.35 175.47 1hm3 h PRO 589 N 6.32 0.51 -0.83 -1.68 0.11 -2.01 0.28 132.00 134.70 1hm3 h PRO 589 Ca -0.31 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.90 1hm3 h PRO 589 Cb 1.18 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 1hm3 h PRO 589 CO 0.37 0.34 0.43 0.93 -0.21 0.00 0.00 178.00 179.85 1hm3 h GLU 590 N 0.52 0.62 -0.20 1.05 5.08 -1.98 -0.10 114.58 119.57 1hm3 h GLU 590 Ca 0.60 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.98 1hm3 h GLU 590 Cb 1.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1hm3 h GLU 590 CO -0.35 0.41 0.34 0.93 -1.00 0.00 0.00 179.01 179.34 1hm3 h GLU 591 N 0.64 0.00 0.00 2.33 5.08 -0.84 -2.49 114.58 119.30 1hm3 h GLU 591 Ca 0.44 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1hm3 h GLU 591 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1hm3 h GLU 591 CO -0.34 0.00 -1.37 0.44 -1.00 0.00 0.00 179.01 176.74 1hm3 n ILE 592 N -3.40 0.16 -0.19 3.13 -5.35 -0.50 -4.52 119.36 108.69 1hm3 n ILE 592 Ca 0.02 -0.20 0.27 0.00 -0.27 0.00 0.00 62.75 62.57 1hm3 n ILE 592 Cb 0.46 -0.08 0.68 0.00 -1.74 0.00 0.00 39.64 38.95 1hm3 n ILE 592 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1hm3 h LYS 593 N 0.00 0.09 -0.15 6.28 3.11 -0.58 0.09 116.57 125.40 1hm3 h LYS 593 Ca -0.06 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.73 1hm3 h LYS 593 Cb 0.72 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.90 1hm3 h LYS 593 CO 0.00 0.06 -0.11 1.17 -2.81 0.00 0.00 179.45 177.76 1hm3 n LYS 594 N -4.33 1.91 -0.03 1.90 0.00 -1.24 -4.69 118.16 111.69 1hm3 n LYS 594 Ca 0.19 -2.93 -0.07 0.00 0.00 0.00 0.00 58.31 55.50 1hm3 n LYS 594 Cb 0.91 -1.69 0.11 0.00 0.00 0.00 0.00 35.03 34.36 1hm3 n LYS 594 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1hm3 h TYR 595 N 0.90 0.72 -1.01 5.64 3.20 -1.20 -3.09 116.97 122.13 1hm3 h TYR 595 Ca 0.05 -0.18 0.29 0.00 3.14 0.00 0.00 58.73 62.03 1hm3 h TYR 595 Cb 1.28 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 1hm3 h TYR 595 CO 0.52 0.87 0.99 -0.97 -1.64 0.00 0.00 178.16 177.93 1hm3 h ASN 596 N 0.53 0.00 0.42 -2.11 -1.24 -1.84 0.66 115.58 112.01 1hm3 h ASN 596 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1hm3 h ASN 596 Cb 0.81 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.86 1hm3 h ASN 596 CO 0.07 0.00 -0.13 0.61 -1.29 0.00 0.00 177.43 176.69 1hm3 n GLY 597 N -1.69 -1.01 0.21 1.57 0.00 -1.17 -4.04 105.19 99.06 1hm3 n GLY 597 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1hm3 n GLY 597 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hm3 n THR 598 N -1.04 0.11 -2.38 2.61 -2.24 0.22 -5.11 114.28 106.46 1hm3 n THR 598 Ca 0.13 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1hm3 n THR 598 Cb 0.29 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 1hm3 n THR 598 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hm3 s ALA 599 N -0.14 2.78 0.67 6.98 0.00 -0.68 -4.88 121.76 126.49 1hm3 s ALA 599 Ca 0.01 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 1hm3 s ALA 599 Cb 0.01 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.84 1hm3 s ALA 599 CO 0.00 -0.55 1.25 -2.14 0.00 0.00 0.00 175.76 174.32 1hm3 s PRO 600 N -3.34 2.43 -0.24 0.00 0.02 -1.26 -4.84 135.00 127.77 1hm3 s PRO 600 Ca 0.69 1.93 -0.11 0.00 0.02 0.00 0.00 61.00 63.53 1hm3 s PRO 600 Cb -0.19 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1hm3 s PRO 600 CO 0.24 -1.66 0.18 0.21 -0.33 0.00 0.00 177.00 175.65 1hm3 s LYS 601 N -3.57 4.07 -0.28 5.54 2.20 0.11 -4.93 119.74 122.87 1hm3 s LYS 601 Ca 0.79 -0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.87 1hm3 s LYS 601 Cb -0.34 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1hm3 s LYS 601 CO 0.41 0.03 1.46 0.08 -0.36 0.00 0.00 175.35 176.96 1hm3 s VAL 602 N 1.15 3.91 0.03 4.02 1.01 -1.26 -0.47 120.40 128.79 1hm3 s VAL 602 Ca 0.08 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.98 1hm3 s VAL 602 Cb -0.14 -3.97 -0.32 0.00 0.00 0.00 0.00 36.38 31.96 1hm3 s VAL 602 CO 0.05 -0.43 0.97 -0.07 0.00 0.00 0.00 175.10 175.62 1hm3 h LEU 603 N 11.45 0.63 -7.00 3.92 3.38 -0.87 -3.48 115.31 123.34 1hm3 h LEU 603 Ca -0.30 -0.73 -0.05 0.00 0.09 0.00 0.00 57.88 56.89 1hm3 h LEU 603 Cb 1.12 -0.21 -0.20 0.00 0.09 0.00 0.00 40.66 41.47 1hm3 h LEU 603 CO 1.03 1.59 0.19 0.00 0.09 0.00 0.00 178.44 181.33 1hm3 s ALA 604 N -2.62 -1.78 -0.47 1.53 0.00 -1.13 -4.93 121.76 112.37 1hm3 s ALA 604 Ca -0.09 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.44 1hm3 s ALA 604 Cb 0.05 -0.33 0.18 0.00 0.00 0.00 0.00 23.12 23.03 1hm3 s ALA 604 CO 0.90 -0.36 0.54 -1.71 0.00 0.00 0.00 175.76 175.14 1hm3 n ASN 605 N 1.36 -2.01 -4.21 0.00 5.15 -1.17 -1.12 115.26 113.26 1hm3 n ASN 605 Ca -0.17 -2.66 -0.21 0.00 -0.60 0.00 0.00 54.58 50.94 1hm3 n ASN 605 Cb 0.57 0.63 -0.10 0.00 -0.53 0.00 0.00 39.78 40.35 1hm3 n ASN 605 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1hm3 s THR 606 N 0.47 0.66 -1.99 -0.44 -4.23 0.43 -4.83 115.64 105.71 1hm3 s THR 606 Ca 0.31 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.04 1hm3 s THR 606 Cb 0.02 -2.57 0.61 0.00 1.34 0.00 0.00 72.50 71.90 1hm3 s THR 606 CO -0.12 0.00 1.66 -0.46 -0.54 0.00 0.00 174.62 175.16 1hm3 n ASN 607 N -0.85 0.00 -0.01 3.99 6.94 -1.26 -2.53 115.26 121.54 1hm3 n ASN 607 Ca -0.02 -0.67 0.03 0.00 -0.02 0.00 0.00 54.58 53.90 1hm3 n ASN 607 Cb 0.66 -0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.01 1hm3 n ASN 607 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hm3 n GLN 608 N -1.00 0.74 -3.64 -3.83 6.02 -1.26 -4.80 117.38 109.61 1hm3 n GLN 608 Ca 0.16 -0.06 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 1hm3 n GLN 608 Cb 0.07 -1.19 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 1hm3 n GLN 608 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1hm3 s LEU 609 N -3.76 -0.91 -0.08 1.08 2.96 -1.05 -1.74 118.68 115.18 1hm3 s LEU 609 Ca -0.03 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1hm3 s LEU 609 Cb 0.05 2.37 0.02 0.00 0.50 0.00 0.00 46.19 49.13 1hm3 s LEU 609 CO 0.33 -0.24 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.97 1hm3 s GLN 610 N 1.46 1.16 0.01 1.98 -0.21 -0.93 -0.43 119.66 122.71 1hm3 s GLN 610 Ca -0.09 -0.15 -0.15 0.00 0.02 0.00 0.00 55.36 54.99 1hm3 s GLN 610 Cb -0.05 -1.23 0.02 0.00 1.00 0.00 0.00 33.01 32.76 1hm3 s GLN 610 CO -0.17 -0.18 0.33 0.00 -2.12 0.00 0.00 175.29 173.14 1hm3 s ALA 611 N 1.42 -0.80 -0.01 6.09 0.00 -0.27 -0.18 121.76 128.01 1hm3 s ALA 611 Ca -0.02 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1hm3 s ALA 611 Cb -0.13 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1hm3 s ALA 611 CO -0.04 -0.34 -0.11 0.08 0.00 0.00 0.00 175.76 175.36 1hm3 s VAL 612 N -1.86 0.85 -0.21 0.00 1.01 -0.02 -0.13 120.40 120.04 1hm3 s VAL 612 Ca -0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1hm3 s VAL 612 Cb -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1hm3 s VAL 612 CO 0.01 0.22 -0.09 -0.47 0.00 0.00 0.00 175.10 174.77 1hm3 s TYR 613 N -0.30 2.90 -0.48 5.22 5.04 0.38 -1.44 117.35 128.68 1hm3 s TYR 613 Ca 0.04 -1.16 -0.13 0.00 -2.44 0.00 0.00 57.07 53.38 1hm3 s TYR 613 Cb -0.04 -2.05 0.10 0.00 0.35 0.00 0.00 41.96 40.32 1hm3 s TYR 613 CO -0.00 -0.63 0.38 -1.58 -1.34 0.00 0.00 175.55 172.38 1hm3 s HIS 614 N 1.42 3.31 0.13 4.97 5.65 0.14 0.04 115.29 130.94 1hm3 s HIS 614 Ca 0.05 -1.37 -0.19 0.00 0.25 0.00 0.00 55.06 53.81 1hm3 s HIS 614 Cb -0.14 -3.35 -0.05 0.00 -1.18 0.00 0.00 32.58 27.86 1hm3 s HIS 614 CO -0.06 -0.91 1.79 0.37 -0.65 0.00 0.00 174.74 175.27 1hm3 h GLN 615 N 8.64 0.32 -0.32 2.88 -0.00 -1.88 0.25 115.11 125.00 1hm3 h GLN 615 Ca -0.26 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1hm3 h GLN 615 Cb 1.09 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.48 1hm3 h GLN 615 CO 0.89 0.21 0.20 1.96 0.00 0.00 0.00 178.83 182.09 1hm3 h GLN 616 N 0.33 0.44 -0.00 1.69 1.08 -1.93 -1.67 115.11 115.05 1hm3 h GLN 616 Ca 0.09 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1hm3 h GLN 616 Cb -0.03 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1hm3 h GLN 616 CO -0.02 0.33 -0.01 1.28 -0.95 0.00 0.00 178.83 179.46 1hm3 n LEU 617 N -4.83 0.01 -3.78 1.46 4.77 -1.19 -4.90 117.00 108.54 1hm3 n LEU 617 Ca -0.01 0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 56.14 1hm3 n LEU 617 Cb 0.05 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1hm3 n LEU 617 CO 0.35 0.00 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.61 1hm3 n ASP 618 N -1.41 -1.20 -4.19 -1.43 2.03 0.68 -4.54 116.55 106.48 1hm3 n ASP 618 Ca 0.10 -0.90 -0.20 0.00 0.52 0.00 0.00 54.79 54.30 1hm3 n ASP 618 Cb 0.30 -3.66 -0.13 0.00 -0.72 0.00 0.00 41.12 36.92 1hm3 n ASP 618 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1hm3 s MET 619 N -6.16 0.95 -0.04 -0.67 1.75 -0.07 -1.72 119.30 113.34 1hm3 s MET 619 Ca 0.04 -0.94 0.04 0.00 -1.25 0.00 0.00 55.69 53.58 1hm3 s MET 619 Cb -0.01 -1.02 0.00 0.00 2.84 0.00 0.00 34.83 36.64 1hm3 s MET 619 CO 0.84 0.24 -0.14 0.08 -0.65 0.00 0.00 175.02 175.39 1hm3 s VAL 620 N -1.09 1.21 -0.06 10.11 1.01 -0.12 0.29 120.40 131.75 1hm3 s VAL 620 Ca 0.01 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1hm3 s VAL 620 Cb -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1hm3 s VAL 620 CO 0.02 0.36 -0.15 -1.10 0.00 0.00 0.00 175.10 174.23 1hm3 s GLN 621 N 0.14 1.87 -0.02 2.72 -0.21 -0.52 -0.43 119.66 123.20 1hm3 s GLN 621 Ca -0.04 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 54.75 1hm3 s GLN 621 Cb -0.11 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.36 1hm3 s GLN 621 CO 0.02 0.13 0.11 0.00 -2.12 0.00 0.00 175.29 173.43 1hm3 s ALA 622 N 0.36 -0.26 -0.29 6.09 0.00 0.22 -0.84 121.76 127.05 1hm3 s ALA 622 Ca -0.11 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1hm3 s ALA 622 Cb -0.14 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.00 1hm3 s ALA 622 CO 0.04 -0.13 -0.04 0.42 0.00 0.00 0.00 175.76 176.05 1hm3 s ILE 623 N -0.69 2.66 -0.49 0.00 -1.09 0.75 -0.48 121.20 121.86 1hm3 s ILE 623 Ca -0.08 -1.51 -0.16 0.00 -2.23 0.00 0.00 60.65 56.68 1hm3 s ILE 623 Cb -0.05 -2.55 0.08 0.00 -1.58 0.00 0.00 42.46 38.37 1hm3 s ILE 623 CO 0.01 -0.09 0.43 -0.36 -1.23 0.00 0.00 174.94 173.69 1hm3 s PHE 624 N 1.19 3.24 0.08 3.97 0.40 0.16 -2.18 117.98 124.83 1hm3 s PHE 624 Ca -0.06 -0.99 0.20 0.00 -0.60 0.00 0.00 56.93 55.47 1hm3 s PHE 624 Cb -0.20 -3.33 0.62 0.00 0.51 0.00 0.00 43.02 40.63 1hm3 s PHE 624 CO -0.03 -0.86 1.70 1.88 0.70 0.00 0.00 175.22 178.61 1hm3 h TYR 625 N 8.80 0.00 -4.14 0.36 -1.99 -1.58 0.17 116.97 118.58 1hm3 h TYR 625 Ca -0.29 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.29 1hm3 h TYR 625 Cb 1.11 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 39.69 1hm3 h TYR 625 CO 0.66 0.35 -0.68 0.95 -0.00 0.00 0.00 178.16 179.44 1hm3 s THR 626 N -3.48 0.33 0.50 -2.88 -4.23 -1.23 -4.66 115.64 99.99 1hm3 s THR 626 Ca 0.01 -1.85 -0.22 0.00 -1.18 0.00 0.00 61.69 58.45 1hm3 s THR 626 Cb 0.10 -1.61 -0.08 0.00 1.34 0.00 0.00 72.50 72.25 1hm3 s THR 626 CO 0.68 -0.92 1.05 0.00 -0.54 0.00 0.00 174.62 174.89 1hm3 n ALA 627 N 0.05 0.43 -3.66 3.99 0.00 -1.26 -4.58 120.51 115.49 1hm3 n ALA 627 Ca -0.13 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1hm3 n ALA 627 Cb 0.61 -2.14 0.01 0.00 0.00 0.00 0.00 19.45 17.93 1hm3 n ALA 627 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hm3 n GLY 628 N 1.14 0.21 3.34 0.00 0.00 -0.98 -4.98 105.19 103.93 1hm3 n GLY 628 Ca 0.11 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 1hm3 n GLY 628 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hm3 s LYS 629 N -2.00 1.33 -0.09 1.61 -2.85 -1.26 -1.61 119.74 114.87 1hm3 s LYS 629 Ca 0.21 -1.63 -0.05 0.00 -1.00 0.00 0.00 55.97 53.50 1hm3 s LYS 629 Cb -0.00 -0.92 0.04 0.00 -2.06 0.00 0.00 37.83 34.89 1hm3 s LYS 629 CO -0.02 0.07 0.21 -1.17 0.10 0.00 0.00 175.35 174.54 1hm3 s LEU 630 N -3.31 0.69 -0.12 2.77 2.96 0.19 -4.96 118.68 116.89 1hm3 s LEU 630 Ca 0.24 0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 1hm3 s LEU 630 Cb 0.02 0.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.30 1hm3 s LEU 630 CO 0.07 -0.14 0.01 -0.44 -1.32 0.00 0.00 176.35 174.54 1hm3 s SER 631 N 0.97 5.30 -0.29 3.68 0.01 -1.26 0.49 113.70 122.60 1hm3 s SER 631 Ca -0.07 0.11 -0.24 0.00 1.31 0.00 0.00 55.95 57.05 1hm3 s SER 631 Cb -0.09 -1.65 0.15 0.00 0.21 0.00 0.00 66.02 64.64 1hm3 s SER 631 CO -0.06 0.31 1.18 0.54 0.41 0.00 0.00 173.24 175.62 1hm3 s VAL 632 N -0.45 0.00 -1.64 3.43 0.11 -0.33 -5.00 120.40 116.53 1hm3 s VAL 632 Ca 0.08 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1hm3 s VAL 632 Cb -0.12 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.86 1hm3 s VAL 632 CO 0.02 0.00 0.88 0.00 -3.33 0.00 0.00 175.10 172.67 1hm3 n ALA 633 N 2.13 -1.26 -1.00 1.54 0.00 -1.26 -1.51 120.51 119.16 1hm3 n ALA 633 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1hm3 n ALA 633 Cb 0.56 -3.94 0.00 0.00 0.00 0.00 0.00 19.45 16.07 1hm3 n ALA 633 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hm3 n GLY 634 N -1.51 0.63 3.30 0.00 0.00 -1.26 -4.99 105.19 101.36 1hm3 n GLY 634 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1hm3 n GLY 634 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hm3 s ILE 635 N -2.56 1.22 -0.16 -0.61 -4.36 -0.57 -1.24 121.20 112.92 1hm3 s ILE 635 Ca 0.00 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1hm3 s ILE 635 Cb 0.00 -2.06 0.03 0.00 1.25 0.00 0.00 42.46 41.68 1hm3 s ILE 635 CO 0.00 -0.57 -0.12 -0.70 0.24 0.00 0.00 174.94 173.79 1hm3 s GLU 636 N -3.77 2.09 -0.19 0.37 2.12 0.14 -1.18 118.70 118.27 1hm3 s GLU 636 Ca 0.22 -0.61 -0.13 0.00 0.36 0.00 0.00 54.97 54.81 1hm3 s GLU 636 Cb 0.03 -2.14 -0.05 0.00 0.26 0.00 0.00 34.13 32.24 1hm3 s GLU 636 CO 0.04 -0.31 0.28 0.42 -0.54 0.00 0.00 175.26 175.16 1hm3 s ILE 637 N 1.49 5.30 0.04 -3.70 1.01 0.18 -0.69 121.20 124.82 1hm3 s ILE 637 Ca 0.03 0.48 0.04 0.00 0.00 0.00 0.00 60.65 61.20 1hm3 s ILE 637 Cb -0.14 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1hm3 s ILE 637 CO -0.10 0.34 -0.11 -0.70 0.00 0.00 0.00 174.94 174.38 1hm3 s GLU 638 N 0.84 0.73 0.04 2.79 2.12 0.27 0.54 118.70 126.04 1hm3 s GLU 638 Ca 0.15 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.81 1hm3 s GLU 638 Cb -0.13 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.56 1hm3 s GLU 638 CO 0.05 0.16 -0.10 -0.08 -0.54 0.00 0.00 175.26 174.75 1hm3 s THR 639 N -0.93 0.73 -2.17 -1.70 -1.32 -0.63 0.29 115.64 109.91 1hm3 s THR 639 Ca -0.02 -1.00 0.23 0.00 -1.21 0.00 0.00 61.69 59.69 1hm3 s THR 639 Cb -0.08 -0.73 0.57 0.00 -1.51 0.00 0.00 72.50 70.75 1hm3 s THR 639 CO 0.01 -0.22 1.49 -0.90 -2.21 0.00 0.00 174.62 172.79 1hm3 n ASP 640 N 1.70 3.73 -3.89 8.08 5.75 -1.14 -2.32 116.55 128.46 1hm3 n ASP 640 Ca -0.20 -2.00 -0.10 0.00 -0.01 0.00 0.00 54.79 52.48 1hm3 n ASP 640 Cb 0.55 -0.40 -0.09 0.00 -1.03 0.00 0.00 41.12 40.14 1hm3 n ASP 640 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1hm3 s LYS 641 N -1.19 0.58 0.50 0.11 -0.14 -1.26 -4.74 119.74 113.60 1hm3 s LYS 641 Ca 0.45 -0.60 -0.22 0.00 -1.36 0.00 0.00 55.97 54.24 1hm3 s LYS 641 Cb 0.24 0.23 -0.06 0.00 -1.68 0.00 0.00 37.83 36.57 1hm3 s LYS 641 CO 0.33 -0.15 1.29 -2.14 -0.76 0.00 0.00 175.35 173.92 1hm3 s PRO 642 N -2.17 3.42 -0.04 -1.68 0.02 -1.26 -4.44 135.00 128.85 1hm3 s PRO 642 Ca -0.08 2.07 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 1hm3 s PRO 642 Cb -0.03 -2.35 0.11 0.00 0.02 0.00 0.00 34.50 32.24 1hm3 s PRO 642 CO -0.02 -0.91 1.32 0.00 -0.33 0.00 0.00 177.00 177.06 1hm3 s ALA 644 N -2.09 1.84 0.08 0.00 0.00 -0.10 0.39 121.76 121.89 1hm3 s ALA 644 Ca 0.26 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1hm3 s ALA 644 Cb 0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1hm3 s ALA 644 CO -0.02 0.05 -0.15 0.14 0.00 0.00 0.00 175.76 175.77 1hm3 s VAL 645 N 0.76 1.21 -0.09 0.00 -7.23 0.37 -1.34 120.40 114.08 1hm3 s VAL 645 Ca -0.11 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1hm3 s VAL 645 Cb -0.16 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.59 1hm3 s VAL 645 CO 0.02 -0.25 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.28 1hm3 s LEU 646 N -1.91 1.10 -0.13 1.32 2.96 -0.37 -0.61 118.68 121.04 1hm3 s LEU 646 Ca 0.01 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1hm3 s LEU 646 Cb -0.09 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 45.91 1hm3 s LEU 646 CO 0.03 -0.12 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.12 1hm3 s ILE 647 N 1.59 1.83 0.15 6.68 1.01 0.42 -0.93 121.20 131.96 1hm3 s ILE 647 Ca 0.01 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1hm3 s ILE 647 Cb -0.13 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1hm3 s ILE 647 CO -0.05 0.51 0.17 -0.54 0.00 0.00 0.00 174.94 175.02 1hm3 s LYS 648 N 0.93 3.04 -1.30 2.79 1.02 -0.09 -0.94 119.74 125.19 1hm3 s LYS 648 Ca -0.06 -0.78 -0.08 0.00 0.02 0.00 0.00 55.97 55.08 1hm3 s LYS 648 Cb -0.15 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1hm3 s LYS 648 CO -0.03 0.50 0.57 0.72 -0.92 0.00 0.00 175.35 176.20 1hm3 n HIS 649 N -0.31 -1.75 0.30 3.18 8.25 -0.70 -2.23 115.22 121.97 1hm3 n HIS 649 Ca -0.08 0.65 0.17 0.00 -0.26 0.00 0.00 57.72 58.19 1hm3 n HIS 649 Cb 0.54 -3.70 0.93 0.00 1.12 0.00 0.00 29.99 28.88 1hm3 n HIS 649 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1hm3 h ILE 650 N -1.88 0.37 -0.49 1.59 3.07 -1.76 -0.27 117.51 118.14 1hm3 h ILE 650 Ca -0.64 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.57 1hm3 h ILE 650 Cb 1.37 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 1hm3 h ILE 650 CO 0.57 0.04 0.00 0.59 -1.05 0.00 0.00 178.15 178.30 1hm3 n ASN 651 N -3.53 4.92 0.00 2.16 3.02 -1.26 -4.89 115.26 115.67 1hm3 n ASN 651 Ca -0.02 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 1hm3 n ASN 651 Cb 0.14 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1hm3 n ASN 651 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hm3 n GLY 652 N 0.38 4.78 3.56 7.41 0.00 -0.12 -5.05 105.19 116.14 1hm3 n GLY 652 Ca 0.25 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 1hm3 n GLY 652 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hm3 s LYS 653 N 4.97 3.21 0.35 1.61 0.00 -1.25 -4.96 119.74 123.67 1hm3 s LYS 653 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 55.97 55.12 1hm3 s LYS 653 Cb 0.00 -4.89 -0.10 0.00 0.00 0.00 0.00 37.83 32.84 1hm3 s LYS 653 CO 0.00 -2.45 1.31 -0.65 0.00 0.00 0.00 175.35 173.56 1hm3 s GLN 654 N 5.74 4.27 -0.06 1.78 -0.21 -1.16 -4.63 119.66 125.39 1hm3 s GLN 654 Ca 0.49 2.20 0.02 0.00 0.02 0.00 0.00 55.36 58.09 1hm3 s GLN 654 Cb -0.05 -3.00 0.02 0.00 1.00 0.00 0.00 33.01 30.98 1hm3 s GLN 654 CO 0.01 -0.26 -0.09 0.08 -2.12 0.00 0.00 175.29 172.92 1hm3 s VAL 655 N -1.17 0.86 -0.02 1.09 1.01 -0.94 -4.97 120.40 116.25 1hm3 s VAL 655 Ca 0.51 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1hm3 s VAL 655 Cb -0.39 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1hm3 s VAL 655 CO 0.52 0.29 -0.22 -0.63 0.00 0.00 0.00 175.10 175.07 1hm3 s ILE 656 N 0.78 2.43 -0.02 2.22 1.01 -1.26 -0.91 121.20 125.44 1hm3 s ILE 656 Ca -0.13 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.54 1hm3 s ILE 656 Cb -0.15 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1hm3 s ILE 656 CO 0.02 0.54 -0.17 0.26 0.00 0.00 0.00 174.94 175.59 1hm3 s TRP 657 N -0.70 1.56 0.05 3.97 0.51 -0.10 -0.06 118.94 124.17 1hm3 s TRP 657 Ca 0.11 -0.36 0.00 0.00 -2.12 0.00 0.00 56.10 53.73 1hm3 s TRP 657 Cb -0.10 -1.03 -0.03 0.00 -0.81 0.00 0.00 33.47 31.50 1hm3 s TRP 657 CO 0.00 -0.08 -0.04 0.00 -0.51 0.00 0.00 176.95 176.32 1hm3 s ALA 658 N -0.21 0.50 -0.01 0.98 0.00 -0.58 -1.23 121.76 121.21 1hm3 s ALA 658 Ca 0.02 -1.03 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1hm3 s ALA 658 Cb -0.08 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.28 1hm3 s ALA 658 CO 0.00 -0.26 0.46 0.00 0.00 0.00 0.00 175.76 175.97 1hm3 s ALA 659 N -2.98 -1.18 -0.45 0.00 0.00 -0.45 -1.22 121.76 115.48 1hm3 s ALA 659 Ca 0.00 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 1hm3 s ALA 659 Cb 0.01 0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.39 1hm3 s ALA 659 CO -0.06 -0.36 0.29 0.34 0.00 0.00 0.00 175.76 175.97 1hm3 s ASP 660 N -1.50 5.49 0.66 0.00 2.15 -1.26 -0.92 116.67 121.29 1hm3 s ASP 660 Ca -0.10 -2.01 0.40 0.00 0.43 0.00 0.00 52.55 51.27 1hm3 s ASP 660 Cb -0.02 -1.92 2.18 0.00 -0.30 0.00 0.00 42.92 42.86 1hm3 s ASP 660 CO 0.04 -0.61 2.24 -0.65 -0.17 0.00 0.00 175.17 176.02 1hm3 h PRO 661 N 8.21 0.00 0.00 4.34 0.11 -1.88 -0.47 132.00 142.31 1hm3 h PRO 661 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1hm3 h PRO 661 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1hm3 h PRO 661 CO 0.78 0.00 -0.40 1.28 -0.21 0.00 0.00 178.00 179.45 1hm3 n LEU 662 N -3.08 0.48 -4.07 2.35 4.77 -1.26 -3.43 117.00 112.76 1hm3 n LEU 662 Ca -0.03 0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.89 1hm3 n LEU 662 Cb 0.16 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1hm3 n LEU 662 CO 0.19 0.02 -0.31 0.00 -1.33 0.00 0.00 177.39 175.96 1hm3 n GLN 663 N -1.74 -2.48 0.00 3.23 6.02 -0.19 -4.84 117.38 117.39 1hm3 n GLN 663 Ca 0.05 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1hm3 n GLN 663 Cb 0.37 -4.20 0.00 0.00 1.02 0.00 0.00 30.24 27.44 1hm3 n GLN 663 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1hm3 n LYS 664 N -4.47 0.00 -2.27 -1.09 4.81 -1.26 -4.96 118.16 108.93 1hm3 n LYS 664 Ca -0.31 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.80 1hm3 n LYS 664 Cb 0.69 -0.60 -0.01 0.00 0.02 0.00 0.00 35.03 35.12 1hm3 n LYS 664 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1hm3 s GLU 665 N -1.86 3.64 -0.20 1.64 0.41 -1.26 -5.00 118.70 116.08 1hm3 s GLU 665 Ca 0.00 1.14 -0.06 0.00 -0.41 0.00 0.00 54.97 55.64 1hm3 s GLU 665 Cb 0.00 -2.08 -0.21 0.00 -1.78 0.00 0.00 34.13 30.06 1hm3 s GLU 665 CO 0.00 -0.54 0.06 1.63 -0.49 0.00 0.00 175.26 175.92 1hm3 n LYS 666 N -1.66 0.68 -4.08 1.61 4.76 -1.26 -4.72 118.16 113.49 1hm3 n LYS 666 Ca 0.08 0.25 -0.13 0.00 -2.87 0.00 0.00 58.31 55.64 1hm3 n LYS 666 Cb 0.53 -1.62 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 1hm3 n LYS 666 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1hm3 s THR 667 N -2.52 0.00 0.04 -0.18 -4.23 -1.26 -1.57 115.64 105.92 1hm3 s THR 667 Ca -0.29 -1.60 -0.28 0.00 -1.18 0.00 0.00 61.69 58.34 1hm3 s THR 667 Cb 0.08 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 71.49 1hm3 s THR 667 CO 0.66 0.00 0.86 0.00 -0.54 0.00 0.00 174.62 175.60 1hm3 s ALA 668 N -3.38 -1.77 -0.09 3.99 0.00 -0.70 -4.95 121.76 114.86 1hm3 s ALA 668 Ca 0.30 0.83 0.04 0.00 0.00 0.00 0.00 51.96 53.13 1hm3 s ALA 668 Cb 0.00 0.50 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 1hm3 s ALA 668 CO 0.17 -0.74 -0.24 0.08 0.00 0.00 0.00 175.76 175.02 1hm3 s VAL 669 N -3.22 2.05 -0.14 0.00 1.01 -1.26 -0.55 120.40 118.29 1hm3 s VAL 669 Ca 0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1hm3 s VAL 669 Cb -0.01 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1hm3 s VAL 669 CO -0.08 0.56 -0.07 -0.22 0.00 0.00 0.00 175.10 175.29 1hm3 s LEU 670 N 0.22 3.08 0.01 3.92 2.96 -0.03 -2.90 118.68 125.94 1hm3 s LEU 670 Ca -0.15 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1hm3 s LEU 670 Cb -0.17 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1hm3 s LEU 670 CO 0.08 0.18 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.69 1hm3 s SER 671 N 0.29 3.94 -0.32 3.68 0.01 0.14 -0.32 113.70 121.13 1hm3 s SER 671 Ca -0.06 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1hm3 s SER 671 Cb -0.15 -0.72 0.10 0.00 0.21 0.00 0.00 66.02 65.47 1hm3 s SER 671 CO 0.04 0.28 0.08 -0.63 0.41 0.00 0.00 173.24 173.42 1hm3 s ILE 672 N -0.88 1.36 -0.22 1.44 -1.09 -0.11 -0.56 121.20 121.14 1hm3 s ILE 672 Ca 0.14 -1.71 -0.12 0.00 -2.23 0.00 0.00 60.65 56.73 1hm3 s ILE 672 Cb -0.11 -2.01 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 1hm3 s ILE 672 CO 0.04 -0.64 0.23 -0.60 -1.23 0.00 0.00 174.94 172.74 1hm3 s ARG 673 N 1.37 4.12 -0.27 2.79 3.52 0.13 -1.86 118.95 128.75 1hm3 s ARG 673 Ca 0.10 -0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.29 1hm3 s ARG 673 Cb -0.18 -3.52 0.01 0.00 -1.56 0.00 0.00 34.95 29.71 1hm3 s ARG 673 CO -0.19 0.07 1.04 0.34 -0.81 0.00 0.00 175.30 175.75 1hm3 s ASP 674 N 0.94 7.01 0.36 -2.12 -1.08 -0.29 0.25 116.67 121.74 1hm3 s ASP 674 Ca 0.11 1.22 0.08 0.00 -0.52 0.00 0.00 52.55 53.44 1hm3 s ASP 674 Cb -0.13 -2.53 0.79 0.00 -1.46 0.00 0.00 42.92 39.58 1hm3 s ASP 674 CO 0.05 -0.75 1.90 -0.07 0.52 0.00 0.00 175.17 176.82 1hm3 h LEU 675 N 9.69 0.66 0.13 -1.34 4.07 -1.51 0.45 115.31 127.46 1hm3 h LEU 675 Ca -0.20 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1hm3 h LEU 675 Cb 1.06 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1hm3 h LEU 675 CO 0.99 0.37 -0.06 0.50 -1.08 0.00 0.00 178.44 179.16 1hm3 h LYS 676 N 0.72 -0.17 0.00 1.13 3.11 -1.92 -3.37 116.57 116.08 1hm3 h LYS 676 Ca 0.39 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.21 1hm3 h LYS 676 Cb 0.54 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.80 1hm3 h LYS 676 CO -0.16 0.26 -0.62 1.79 -2.81 0.00 0.00 179.45 177.91 1hm3 h THR 677 N -0.92 0.19 0.00 1.00 1.35 -1.94 -3.47 112.91 109.12 1hm3 h THR 677 Ca -0.02 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1hm3 h THR 677 Cb 0.51 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1hm3 h THR 677 CO 0.03 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1hm3 n GLY 678 N 1.18 0.83 3.75 5.82 0.00 0.16 -4.98 105.19 111.95 1hm3 n GLY 678 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1hm3 n GLY 678 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hm3 s LYS 679 N -0.15 4.50 -0.04 1.61 -0.14 -1.25 -4.73 119.74 119.54 1hm3 s LYS 679 Ca 0.00 1.94 0.04 0.00 -1.36 0.00 0.00 55.97 56.59 1hm3 s LYS 679 Cb 0.00 -3.18 -0.00 0.00 -1.68 0.00 0.00 37.83 32.97 1hm3 s LYS 679 CO 0.00 -0.02 -0.16 0.99 -0.76 0.00 0.00 175.35 175.40 1hm3 s THR 680 N -0.64 1.32 -0.06 2.17 2.01 -1.26 -1.14 115.64 118.03 1hm3 s THR 680 Ca 0.50 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1hm3 s THR 680 Cb -0.34 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1hm3 s THR 680 CO 0.42 0.38 -0.04 0.20 -0.69 0.00 0.00 174.62 174.89 1hm3 s ASN 681 N 0.10 4.90 -0.05 3.53 0.01 -0.78 -4.96 114.94 117.70 1hm3 s ASN 681 Ca -0.05 0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.19 1hm3 s ASN 681 Cb -0.11 -1.28 -0.01 0.00 0.41 0.00 0.00 41.25 40.25 1hm3 s ASN 681 CO 0.02 0.35 -0.23 -0.13 -1.51 0.00 0.00 177.10 175.60 1hm3 s ARG 682 N -0.97 2.29 -0.11 -0.60 0.52 -1.26 -0.93 118.95 117.90 1hm3 s ARG 682 Ca 0.14 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.55 1hm3 s ARG 682 Cb -0.11 -1.98 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1hm3 s ARG 682 CO 0.03 0.36 -0.20 0.08 0.02 0.00 0.00 175.30 175.59 1hm3 s VAL 683 N -0.15 1.80 0.14 3.52 1.01 0.57 -4.99 120.40 122.31 1hm3 s VAL 683 Ca -0.02 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 1hm3 s VAL 683 Cb -0.13 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.59 1hm3 s VAL 683 CO 0.03 0.50 0.88 -0.75 0.00 0.00 0.00 175.10 175.76 1hm3 s LYS 684 N 0.65 4.67 -0.27 2.72 2.47 -1.26 -0.85 119.74 127.87 1hm3 s LYS 684 Ca -0.13 1.32 -0.02 0.00 -1.56 0.00 0.00 55.97 55.58 1hm3 s LYS 684 Cb -0.16 -3.32 0.03 0.00 -1.46 0.00 0.00 37.83 32.91 1hm3 s LYS 684 CO 0.03 0.38 -0.03 0.42 0.16 0.00 0.00 175.35 176.32 1hm3 s ILE 685 N -0.56 3.02 -0.48 5.43 1.01 0.29 -4.94 121.20 124.96 1hm3 s ILE 685 Ca 0.41 -1.11 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 1hm3 s ILE 685 Cb -0.23 -2.60 0.09 0.00 0.01 0.00 0.00 42.46 39.73 1hm3 s ILE 685 CO 0.28 0.09 0.39 -1.81 0.00 0.00 0.00 174.94 173.89 1hm3 s ASP 686 N 1.32 6.01 0.19 3.58 1.01 -1.26 -1.73 116.67 125.78 1hm3 s ASP 686 Ca -0.01 -1.55 -0.30 0.00 0.71 0.00 0.00 52.55 51.40 1hm3 s ASP 686 Cb -0.18 -2.13 -0.08 0.00 1.01 0.00 0.00 42.92 41.54 1hm3 s ASP 686 CO -0.03 -0.69 1.14 -0.36 0.21 0.00 0.00 175.17 175.45 1hm3 s PHE 687 N 1.56 3.52 0.47 4.23 0.40 -0.61 -4.91 117.98 122.64 1hm3 s PHE 687 Ca 0.04 1.53 -0.24 0.00 -0.60 0.00 0.00 56.93 57.66 1hm3 s PHE 687 Cb -0.26 -3.34 -0.08 0.00 0.51 0.00 0.00 43.02 39.86 1hm3 s PHE 687 CO 0.04 -0.84 1.37 -2.30 0.70 0.00 0.00 175.22 174.18 1hm3 n PRO 688 N 2.35 2.00 -4.05 0.24 -0.02 -1.26 -4.87 135.00 129.39 1hm3 n PRO 688 Ca 0.03 0.72 -0.24 0.00 -2.02 0.00 0.00 63.50 61.99 1hm3 n PRO 688 Cb 0.45 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1hm3 n PRO 688 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1hm3 s GLN 689 N -2.52 2.27 7.92 -0.52 -1.52 -1.26 -3.73 119.66 120.29 1hm3 s GLN 689 Ca 0.64 -1.82 0.00 0.00 -1.95 0.00 0.00 55.36 52.23 1hm3 s GLN 689 Cb -0.45 -2.03 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 1hm3 s GLN 689 CO 0.55 -0.15 0.00 1.04 -0.25 0.00 0.00 175.29 176.48 1hm3 n GLN 690 N -1.30 0.00 0.03 2.91 3.00 -1.26 -2.51 117.38 118.25 1hm3 n GLN 690 Ca -0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.18 1hm3 n GLN 690 Cb 0.64 0.00 0.71 0.00 0.00 0.00 0.00 30.24 31.59 1hm3 n GLN 690 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1hm3 h GLU 691 N 0.00 0.00 -0.48 -1.09 3.07 -2.00 0.03 114.58 114.11 1hm3 h GLU 691 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1hm3 h GLU 691 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1hm3 h GLU 691 CO 0.00 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.80 1hm3 n PHE 692 N -4.24 0.63 -1.69 4.33 3.01 -1.04 -4.83 117.46 113.63 1hm3 n PHE 692 Ca 0.09 -0.32 -0.43 0.00 1.01 0.00 0.00 57.45 57.81 1hm3 n PHE 692 Cb 0.59 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.03 1hm3 n PHE 692 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hm3 n ALA 693 N 1.10 2.10 0.00 4.37 0.00 -0.01 -1.04 120.51 127.04 1hm3 n ALA 693 Ca 0.19 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1hm3 n ALA 693 Cb 0.48 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1hm3 n ALA 693 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hm3 n GLY 694 N 4.25 2.41 3.79 0.00 0.00 -1.26 -4.82 105.19 109.57 1hm3 n GLY 694 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1hm3 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hm3 s ALA 695 N -2.50 2.53 0.28 4.61 0.00 -0.20 -4.52 121.76 121.96 1hm3 s ALA 695 Ca 0.00 0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 1hm3 s ALA 695 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 1hm3 s ALA 695 CO 0.00 -1.30 0.76 0.99 0.00 0.00 0.00 175.76 176.21 1hm3 s THR 696 N -2.74 4.56 -0.07 0.00 2.01 -1.26 -4.57 115.64 113.57 1hm3 s THR 696 Ca 0.62 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.87 1hm3 s THR 696 Cb -0.17 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.59 1hm3 s THR 696 CO 0.49 0.03 -0.14 0.54 -0.69 0.00 0.00 174.62 174.84 1hm3 s VAL 697 N -1.74 1.27 -0.11 3.82 0.11 -0.35 -4.97 120.40 118.42 1hm3 s VAL 697 Ca 0.49 -0.56 -0.24 0.00 -2.93 0.00 0.00 61.98 58.74 1hm3 s VAL 697 Cb -0.14 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1hm3 s VAL 697 CO 0.19 0.38 0.74 -0.70 -3.33 0.00 0.00 175.10 172.39 1hm3 s GLU 698 N 0.62 4.38 0.00 1.54 2.12 -1.26 -1.53 118.70 124.57 1hm3 s GLU 698 Ca -0.15 0.91 0.31 0.00 0.36 0.00 0.00 54.97 56.39 1hm3 s GLU 698 Cb -0.16 -3.50 1.59 0.00 0.26 0.00 0.00 34.13 32.32 1hm3 s GLU 698 CO 0.04 -0.08 2.05 1.28 -0.54 0.00 0.00 175.26 178.01