#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hu2 n SER 13 N 0.00 1.63 0.04 1.45 3.41 -1.26 -4.16 113.62 114.73 3hu2 n SER 13 Ca 0.00 -0.03 0.02 0.00 -0.26 0.00 0.00 58.87 58.59 3hu2 n SER 13 Cb 0.00 -0.24 0.09 0.00 -0.26 0.00 0.00 64.21 63.81 3hu2 n SER 13 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3hu2 n THR 14 N -3.20 1.05 -0.37 6.66 5.66 -1.26 -3.95 114.28 118.87 3hu2 n THR 14 Ca -0.40 0.56 0.32 0.00 -3.05 0.00 0.00 64.05 61.48 3hu2 n THR 14 Cb 1.03 -1.56 0.58 0.00 -1.55 0.00 0.00 70.33 68.83 3hu2 n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hu2 h ALA 15 N 1.20 2.33 0.00 1.79 0.00 -2.00 -0.46 119.26 122.13 3hu2 h ALA 15 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hu2 h ALA 15 Cb 0.45 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hu2 h ALA 15 CO 0.00 -1.01 -0.03 0.97 0.00 0.00 0.00 179.25 179.18 3hu2 h ILE 16 N 0.13 0.44 0.00 0.00 2.10 -1.92 -2.97 117.51 115.29 3hu2 h ILE 16 Ca 0.81 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 66.61 3hu2 h ILE 16 Cb 2.21 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 39.03 3hu2 h ILE 16 CO -0.59 0.03 -0.78 -0.07 -1.08 0.00 0.00 178.15 175.66 3hu2 h LEU 17 N 0.00 0.00 -9.86 2.19 3.38 -1.40 -3.48 115.31 106.14 3hu2 h LEU 17 Ca -0.00 -0.21 -0.53 0.00 0.09 0.00 0.00 57.88 57.23 3hu2 h LEU 17 Cb 0.09 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.92 3hu2 h LEU 17 CO 0.00 0.10 0.78 -0.75 0.09 0.00 0.00 178.44 178.67 3hu2 s LYS 18 N -3.21 4.18 0.27 1.13 2.20 -1.12 -4.92 119.74 118.27 3hu2 s LYS 18 Ca 0.04 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 3hu2 s LYS 18 Cb 0.13 -3.03 0.56 0.00 -1.51 0.00 0.00 37.83 33.98 3hu2 s LYS 18 CO 0.75 -0.48 1.79 1.96 -0.36 0.00 0.00 175.35 179.01 3hu2 h GLN 19 N 3.91 0.73 -4.38 4.03 4.20 -1.93 -3.49 115.11 118.18 3hu2 h GLN 19 Ca -0.49 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.18 3hu2 h GLN 19 Cb 1.23 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3hu2 h GLN 19 CO 0.71 0.48 -0.91 1.17 -0.67 0.00 0.00 178.83 179.61 3hu2 n LYS 20 N -4.78 -4.46 -2.19 1.46 3.00 -1.26 -4.93 118.16 104.99 3hu2 n LYS 20 Ca 0.18 3.31 -0.42 0.00 -0.00 0.00 0.00 58.31 61.38 3hu2 n LYS 20 Cb 0.42 -4.21 -0.03 0.00 0.00 0.00 0.00 35.03 31.22 3hu2 n LYS 20 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3hu2 s ASN 21 N -0.53 6.82 0.04 3.14 0.01 -1.26 -4.98 114.94 118.19 3hu2 s ASN 21 Ca -0.03 2.14 0.02 0.00 -0.71 0.00 0.00 52.86 54.28 3hu2 s ASN 21 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 3hu2 s ASN 21 CO 0.07 -0.74 -0.07 -0.13 -1.51 0.00 0.00 177.10 174.72 3hu2 s ARG 22 N 2.49 0.49 0.21 -0.60 0.52 -1.26 -5.05 118.95 115.74 3hu2 s ARG 22 Ca 0.65 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 55.12 3hu2 s ARG 22 Cb -0.32 -0.23 0.45 0.00 0.52 0.00 0.00 34.95 35.37 3hu2 s ARG 22 CO 0.27 0.03 1.08 -2.30 0.02 0.00 0.00 175.30 174.40 3hu2 n PRO 23 N 1.51 -0.06 0.01 3.54 -0.02 -1.26 -2.83 135.00 135.89 3hu2 n PRO 23 Ca -0.23 1.05 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 3hu2 n PRO 23 Cb 0.55 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3hu2 n PRO 23 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3hu2 n ASN 24 N -5.01 0.64 -4.60 2.55 6.94 -1.26 -4.83 115.26 109.69 3hu2 n ASN 24 Ca 0.14 -0.43 -0.43 0.00 -0.02 0.00 0.00 54.58 53.84 3hu2 n ASN 24 Cb 0.46 0.97 -0.02 0.00 -2.36 0.00 0.00 39.78 38.83 3hu2 n ASN 24 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3hu2 s ARG 25 N -3.16 3.60 0.01 -3.83 3.52 -1.13 -2.60 118.95 115.36 3hu2 s ARG 25 Ca 0.04 0.96 0.04 0.00 -0.13 0.00 0.00 55.73 56.65 3hu2 s ARG 25 Cb 0.15 -4.02 -0.02 0.00 -1.56 0.00 0.00 34.95 29.51 3hu2 s ARG 25 CO 0.83 -1.54 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.14 3hu2 s LEU 26 N 5.37 2.10 0.12 -0.88 1.43 -0.79 -4.72 118.68 121.31 3hu2 s LEU 26 Ca 0.61 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 3hu2 s LEU 26 Cb -0.14 -0.63 -0.06 0.00 0.03 0.00 0.00 46.19 45.38 3hu2 s LEU 26 CO 0.32 0.09 1.13 -0.63 0.23 0.00 0.00 176.35 177.49 3hu2 s ILE 27 N -0.58 4.00 -0.46 -0.59 1.01 -0.71 -2.18 121.20 121.68 3hu2 s ILE 27 Ca 0.03 1.59 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 3hu2 s ILE 27 Cb -0.06 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.42 3hu2 s ILE 27 CO 0.00 0.21 1.22 0.68 0.00 0.00 0.00 174.94 177.05 3hu2 s VAL 28 N 0.34 4.11 0.19 2.92 -7.23 -0.53 0.18 120.40 120.38 3hu2 s VAL 28 Ca 0.53 1.12 0.04 0.00 -1.81 0.00 0.00 61.98 61.86 3hu2 s VAL 28 Cb -0.29 -4.49 -0.03 0.00 0.56 0.00 0.00 36.38 32.13 3hu2 s VAL 28 CO 0.32 -0.95 0.30 -0.62 -0.31 0.00 0.00 175.10 173.85 3hu2 s ASP 29 N 2.92 6.24 0.37 4.85 3.68 0.23 -0.41 116.67 134.55 3hu2 s ASP 29 Ca 0.52 0.09 -0.28 0.00 2.13 0.00 0.00 52.55 55.01 3hu2 s ASP 29 Cb -0.09 -1.83 -0.10 0.00 -1.45 0.00 0.00 42.92 39.44 3hu2 s ASP 29 CO 0.32 -0.00 1.41 -0.70 0.13 0.00 0.00 175.17 176.33 3hu2 s GLU 30 N -3.57 4.16 0.22 4.34 2.56 -1.26 -1.18 118.70 123.97 3hu2 s GLU 30 Ca 0.34 2.43 -0.27 0.00 0.00 0.00 0.00 54.97 57.46 3hu2 s GLU 30 Cb -0.10 -2.97 -0.09 0.00 2.00 0.00 0.00 34.13 32.97 3hu2 s GLU 30 CO 0.28 -0.44 0.87 0.00 -0.56 0.00 0.00 175.26 175.41 3hu2 s ALA 31 N -1.14 3.37 -0.08 6.30 0.00 -1.22 -4.47 121.76 124.52 3hu2 s ALA 31 Ca 0.52 0.49 0.15 0.00 0.00 0.00 0.00 51.96 53.12 3hu2 s ALA 31 Cb -0.44 -3.09 -0.18 0.00 0.00 0.00 0.00 23.12 19.41 3hu2 s ALA 31 CO 0.59 0.24 0.77 -0.84 0.00 0.00 0.00 175.76 176.52 3hu2 h ILE 32 N 3.13 0.69 -3.02 0.00 3.07 -1.95 -3.44 117.51 116.00 3hu2 h ILE 32 Ca -0.46 -2.37 -0.65 0.00 1.55 0.00 0.00 64.86 62.94 3hu2 h ILE 32 Cb 1.20 2.24 -0.15 0.00 -0.27 0.00 0.00 36.82 39.84 3hu2 h ILE 32 CO 0.67 0.39 0.36 0.21 -1.05 0.00 0.00 178.15 178.73 3hu2 s ASN 33 N -5.96 6.24 0.00 2.16 3.84 -1.26 -4.94 114.94 115.02 3hu2 s ASN 33 Ca -0.04 -0.82 0.22 0.00 0.21 0.00 0.00 52.86 52.43 3hu2 s ASN 33 Cb 0.08 -2.37 1.10 0.00 -0.55 0.00 0.00 41.25 39.50 3hu2 s ASN 33 CO 0.82 -1.18 1.73 1.21 -2.79 0.00 0.00 177.10 176.88 3hu2 n GLU 34 N 7.04 1.28 -2.49 0.43 4.07 -1.26 -4.69 120.64 125.01 3hu2 n GLU 34 Ca -0.04 -0.41 -0.40 0.00 -0.06 0.00 0.00 57.16 56.25 3hu2 n GLU 34 Cb 0.46 -1.36 -0.04 0.00 -0.06 0.00 0.00 31.44 30.43 3hu2 n GLU 34 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3hu2 s ASP 35 N -1.66 7.27 0.44 4.31 2.15 -1.26 -4.93 116.67 122.98 3hu2 s ASP 35 Ca 0.33 2.24 0.10 0.00 0.43 0.00 0.00 52.55 55.65 3hu2 s ASP 35 Cb 0.16 -2.62 0.96 0.00 -0.30 0.00 0.00 42.92 41.12 3hu2 s ASP 35 CO 0.26 -0.14 2.05 0.78 -0.17 0.00 0.00 175.17 177.95 3hu2 h ASN 36 N 3.78 0.28 -0.05 -0.34 2.35 -1.94 -2.96 115.58 116.71 3hu2 h ASN 36 Ca -0.47 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3hu2 h ASN 36 Cb 1.21 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3hu2 h ASN 36 CO 0.67 0.25 0.00 -1.20 -1.65 0.00 0.00 177.43 175.50 3hu2 n SER 37 N -4.45 0.88 -4.20 5.81 7.64 -1.26 -4.70 113.62 113.34 3hu2 n SER 37 Ca 0.00 -1.42 -0.30 0.00 1.01 0.00 0.00 58.87 58.17 3hu2 n SER 37 Cb 0.11 -0.03 -0.17 0.00 -1.01 0.00 0.00 64.21 63.12 3hu2 n SER 37 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hu2 s VAL 38 N -1.95 1.86 0.11 0.44 0.11 -1.12 -0.21 120.40 119.64 3hu2 s VAL 38 Ca 0.37 -0.92 0.10 0.00 -2.93 0.00 0.00 61.98 58.59 3hu2 s VAL 38 Cb 0.19 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 3hu2 s VAL 38 CO 0.30 0.52 -0.23 0.68 -3.33 0.00 0.00 175.10 173.04 3hu2 s VAL 39 N 0.19 2.49 -0.08 2.04 -7.23 -0.17 -4.63 120.40 113.02 3hu2 s VAL 39 Ca -0.12 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 3hu2 s VAL 39 Cb -0.16 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 3hu2 s VAL 39 CO 0.06 0.15 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.40 3hu2 s SER 40 N -1.92 3.79 0.15 4.85 0.01 -0.09 -2.09 113.70 118.41 3hu2 s SER 40 Ca 0.15 -0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.17 3hu2 s SER 40 Cb -0.10 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.02 3hu2 s SER 40 CO 0.07 0.27 -0.17 -0.76 0.41 0.00 0.00 173.24 173.06 3hu2 s LEU 41 N -0.27 2.42 0.70 2.44 1.43 -0.98 -0.92 118.68 123.50 3hu2 s LEU 41 Ca 0.01 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 52.12 3hu2 s LEU 41 Cb -0.13 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.40 3hu2 s LEU 41 CO 0.03 -0.08 1.18 -0.94 0.23 0.00 0.00 176.35 176.77 3hu2 s SER 42 N -2.58 4.53 0.20 2.29 1.04 -1.25 -0.86 113.70 117.06 3hu2 s SER 42 Ca 0.13 2.28 -0.11 0.00 0.48 0.00 0.00 55.95 58.72 3hu2 s SER 42 Cb -0.05 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.64 3hu2 s SER 42 CO 0.05 -2.04 1.83 -0.61 0.98 0.00 0.00 173.24 173.46 3hu2 h GLN 43 N -0.08 0.74 0.00 4.02 5.75 -1.90 -2.30 115.11 121.35 3hu2 h GLN 43 Ca -0.48 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 3hu2 h GLN 43 Cb 1.28 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.67 3hu2 h GLN 43 CO 0.51 0.49 0.00 -1.35 -2.65 0.00 0.00 178.83 175.83 3hu2 h PRO 44 N 0.76 0.00 0.20 -2.39 0.11 -1.96 -2.53 132.00 126.20 3hu2 h PRO 44 Ca 0.25 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.04 3hu2 h PRO 44 Cb 0.02 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.16 3hu2 h PRO 44 CO -0.10 0.00 -1.52 -0.22 -0.21 0.00 0.00 178.00 175.95 3hu2 h LYS 45 N 0.00 0.43 -0.73 1.05 1.63 -1.80 -3.23 116.57 113.91 3hu2 h LYS 45 Ca 0.00 -0.74 -0.05 0.00 -0.85 0.00 0.00 60.65 59.02 3hu2 h LYS 45 Cb 0.38 0.27 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 3hu2 h LYS 45 CO 0.00 1.34 0.27 0.52 -3.45 0.00 0.00 179.45 178.13 3hu2 h MET 46 N 0.12 1.10 -0.87 1.90 2.86 -1.21 -2.77 114.93 116.06 3hu2 h MET 46 Ca -0.26 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 3hu2 h MET 46 Cb 2.11 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 33.55 3hu2 h MET 46 CO 0.23 0.91 0.48 -0.44 1.06 0.00 0.00 176.91 179.14 3hu2 h ASP 47 N 1.07 1.08 -0.32 1.22 5.19 -1.60 -0.08 116.42 122.98 3hu2 h ASP 47 Ca 0.24 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 3hu2 h ASP 47 Cb 0.23 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 3hu2 h ASP 47 CO -0.02 0.87 -0.09 -0.08 -3.12 0.00 0.00 179.24 176.81 3hu2 h GLU 48 N 1.21 0.63 -0.05 3.56 4.81 -1.52 -2.85 114.58 120.37 3hu2 h GLU 48 Ca 0.31 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3hu2 h GLU 48 Cb 0.03 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3hu2 h GLU 48 CO -0.05 0.81 0.00 1.28 -0.73 0.00 0.00 179.01 180.33 3hu2 n LEU 49 N -4.43 1.01 -3.79 1.64 4.77 -1.07 -4.95 117.00 110.17 3hu2 n LEU 49 Ca -0.03 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.28 3hu2 n LEU 49 Cb 0.34 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3hu2 n LEU 49 CO 0.41 0.19 -0.13 0.00 -1.33 0.00 0.00 177.39 176.53 3hu2 n GLN 50 N -0.17 -1.92 -3.91 3.23 6.02 -1.08 -4.97 117.38 114.58 3hu2 n GLN 50 Ca 0.18 0.42 -0.35 0.00 -0.01 0.00 0.00 57.00 57.24 3hu2 n GLN 50 Cb 0.25 -4.17 -0.14 0.00 1.02 0.00 0.00 30.24 27.21 3hu2 n GLN 50 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hu2 s LEU 51 N -6.71 3.75 0.76 1.08 1.43 -0.06 -5.05 118.68 113.88 3hu2 s LEU 51 Ca 0.31 -1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 3hu2 s LEU 51 Cb -0.12 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.44 3hu2 s LEU 51 CO 0.88 -0.23 1.14 -0.36 0.23 0.00 0.00 176.35 178.00 3hu2 s PHE 52 N 1.28 3.12 0.23 0.29 2.99 -1.26 -4.55 117.98 120.07 3hu2 s PHE 52 Ca -0.04 0.88 -0.31 0.00 0.00 0.00 0.00 56.93 57.46 3hu2 s PHE 52 Cb -0.19 -3.30 -0.11 0.00 0.00 0.00 0.00 43.02 39.43 3hu2 s PHE 52 CO -0.02 -1.50 1.54 0.50 -0.00 0.00 0.00 175.22 175.75 3hu2 s ARG 53 N -5.47 4.20 0.00 0.44 3.52 -1.26 -3.17 118.95 117.21 3hu2 s ARG 53 Ca 0.60 2.42 0.00 0.00 -0.13 0.00 0.00 55.73 58.62 3hu2 s ARG 53 Cb -0.11 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3hu2 s ARG 53 CO 0.50 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 3hu2 n GLY 54 N 2.84 1.34 3.72 8.12 0.00 0.25 -5.02 105.19 116.45 3hu2 n GLY 54 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3hu2 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hu2 s ASP 55 N -3.09 6.84 0.01 1.61 1.01 -1.19 -4.64 116.67 117.22 3hu2 s ASP 55 Ca 0.00 2.34 -0.30 0.00 0.71 0.00 0.00 52.55 55.30 3hu2 s ASP 55 Cb 0.00 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 3hu2 s ASP 55 CO 0.00 -0.63 1.47 0.42 0.21 0.00 0.00 175.17 176.64 3hu2 s THR 56 N 0.89 3.55 0.19 -1.27 -4.23 -1.26 -1.78 115.64 111.72 3hu2 s THR 56 Ca 0.63 0.94 0.10 0.00 -1.18 0.00 0.00 61.69 62.18 3hu2 s THR 56 Cb -0.37 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 69.82 3hu2 s THR 56 CO 0.32 -0.01 -0.22 0.68 -0.54 0.00 0.00 174.62 174.86 3hu2 s VAL 57 N 2.51 2.18 -0.24 2.29 -7.23 0.28 -2.95 120.40 117.24 3hu2 s VAL 57 Ca 0.66 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.73 3hu2 s VAL 57 Cb -0.33 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 3hu2 s VAL 57 CO 0.28 -0.21 0.07 -0.22 -0.31 0.00 0.00 175.10 174.71 3hu2 s LEU 58 N -2.75 3.49 -0.14 1.32 2.96 0.31 -1.34 118.68 122.52 3hu2 s LEU 58 Ca 0.20 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3hu2 s LEU 58 Cb -0.07 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 3hu2 s LEU 58 CO 0.09 -0.02 0.06 -0.76 -1.32 0.00 0.00 176.35 174.41 3hu2 s LEU 59 N 1.51 3.87 -0.26 -0.68 1.43 0.64 -0.39 118.68 124.80 3hu2 s LEU 59 Ca 0.06 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3hu2 s LEU 59 Cb -0.15 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.17 3hu2 s LEU 59 CO 0.04 0.28 -0.08 -0.54 0.23 0.00 0.00 176.35 176.28 3hu2 s LYS 60 N -0.25 2.41 0.00 1.70 1.02 0.35 -1.74 119.74 123.23 3hu2 s LYS 60 Ca 0.08 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.82 3hu2 s LYS 60 Cb -0.12 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 3hu2 s LYS 60 CO 0.01 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 3hu2 n GLY 61 N 4.53 1.74 3.95 -3.33 0.00 -0.58 -2.07 105.19 109.41 3hu2 n GLY 61 Ca -0.15 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 3hu2 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hu2 s LYS 62 N 3.95 3.47 -1.16 1.61 1.02 -0.60 -4.72 119.74 123.31 3hu2 s LYS 62 Ca 0.00 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.29 3hu2 s LYS 62 Cb 0.00 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.45 3hu2 s LYS 62 CO 0.00 0.39 0.77 1.63 -0.92 0.00 0.00 175.35 177.22 3hu2 n LYS 63 N -1.08 -1.64 0.00 1.68 5.02 -1.26 -2.15 118.16 118.73 3hu2 n LYS 63 Ca -0.07 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3hu2 n LYS 63 Cb 0.55 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.26 3hu2 n LYS 63 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3hu2 n ARG 64 N -4.16 0.00 -1.97 1.97 3.00 -1.25 -4.89 116.66 109.37 3hu2 n ARG 64 Ca -0.12 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.34 3hu2 n ARG 64 Cb 0.60 -1.02 0.01 0.00 0.00 0.00 0.00 32.46 32.06 3hu2 n ARG 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3hu2 s ARG 65 N 0.00 3.58 0.08 -0.14 1.81 -0.91 -4.86 118.95 118.51 3hu2 s ARG 65 Ca 0.00 2.14 0.01 0.00 -1.72 0.00 0.00 55.73 56.16 3hu2 s ARG 65 Cb 0.00 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.98 3hu2 s ARG 65 CO 0.00 -0.80 -0.06 -1.21 -0.68 0.00 0.00 175.30 172.54 3hu2 s GLU 66 N -2.61 0.74 -0.05 3.54 2.02 -1.26 -1.53 118.70 119.55 3hu2 s GLU 66 Ca 0.64 -1.20 -0.11 0.00 0.02 0.00 0.00 54.97 54.32 3hu2 s GLU 66 Cb -0.38 -0.17 0.02 0.00 0.10 0.00 0.00 34.13 33.70 3hu2 s GLU 66 CO 0.46 -0.02 0.26 0.00 0.02 0.00 0.00 175.26 175.99 3hu2 s ALA 67 N -3.20 -0.65 -0.20 5.21 0.00 -0.71 -4.69 121.76 117.51 3hu2 s ALA 67 Ca 0.07 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 3hu2 s ALA 67 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3hu2 s ALA 67 CO -0.04 -0.19 -0.05 0.14 0.00 0.00 0.00 175.76 175.61 3hu2 s VAL 68 N -0.70 3.39 0.10 0.00 -7.23 -1.26 -0.26 120.40 114.44 3hu2 s VAL 68 Ca -0.08 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 3hu2 s VAL 68 Cb -0.04 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 3hu2 s VAL 68 CO 0.02 0.44 -0.05 0.00 -0.31 0.00 0.00 175.10 175.21 3hu2 s ILE 70 N -3.68 4.93 -0.20 0.00 1.01 0.71 0.98 121.20 124.95 3hu2 s ILE 70 Ca 0.13 1.12 -0.11 0.00 0.00 0.00 0.00 60.65 61.79 3hu2 s ILE 70 Cb 0.06 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 3hu2 s ILE 70 CO -0.04 0.47 0.15 0.54 0.00 0.00 0.00 174.94 176.06 3hu2 s VAL 71 N -0.45 5.39 0.06 2.92 0.11 -0.74 -1.00 120.40 126.70 3hu2 s VAL 71 Ca 0.28 0.23 0.05 0.00 -2.93 0.00 0.00 61.98 59.61 3hu2 s VAL 71 Cb -0.18 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 3hu2 s VAL 71 CO 0.16 0.42 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.45 3hu2 s LEU 72 N 0.49 2.25 0.46 2.54 1.43 -0.89 -0.58 118.68 124.38 3hu2 s LEU 72 Ca 0.09 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 3hu2 s LEU 72 Cb -0.12 -0.53 -0.07 0.00 0.03 0.00 0.00 46.19 45.50 3hu2 s LEU 72 CO -0.00 -0.05 1.24 -0.94 0.23 0.00 0.00 176.35 176.83 3hu2 s SER 73 N -1.59 6.01 -0.05 2.29 1.04 -1.26 -2.31 113.70 117.84 3hu2 s SER 73 Ca -0.01 2.50 -0.02 0.00 0.48 0.00 0.00 55.95 58.90 3hu2 s SER 73 Cb -0.09 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.44 3hu2 s SER 73 CO 0.02 -1.04 0.10 -0.62 0.98 0.00 0.00 173.24 172.68 3hu2 s ASP 74 N -1.11 -0.04 -0.03 7.02 2.15 -0.04 -4.81 116.67 119.81 3hu2 s ASP 74 Ca 0.63 0.19 -0.23 0.00 0.43 0.00 0.00 52.55 53.58 3hu2 s ASP 74 Cb -0.34 0.08 -0.23 0.00 -0.30 0.00 0.00 42.92 42.14 3hu2 s ASP 74 CO 0.41 -0.14 1.06 0.44 -0.17 0.00 0.00 175.17 176.78 3hu2 h ASP 75 N 7.24 0.33 0.74 -0.34 5.19 -1.97 -3.28 116.42 124.34 3hu2 h ASP 75 Ca -0.44 -0.76 0.00 0.00 -0.62 0.00 0.00 57.03 55.21 3hu2 h ASP 75 Cb 1.13 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.54 3hu2 h ASP 75 CO 0.45 1.05 0.00 1.07 -3.12 0.00 0.00 179.24 178.69 3hu2 n THR 76 N -4.41 0.83 -3.00 0.35 5.66 -1.26 -4.73 114.28 107.73 3hu2 n THR 76 Ca -0.10 0.20 -0.40 0.00 -3.05 0.00 0.00 64.05 60.71 3hu2 n THR 76 Cb 0.56 -1.10 -0.06 0.00 -1.55 0.00 0.00 70.33 68.18 3hu2 n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hu2 s SER 78 N -0.75 4.07 0.10 0.00 0.01 -1.26 -4.39 113.70 111.47 3hu2 s SER 78 Ca 0.36 1.58 -0.20 0.00 1.31 0.00 0.00 55.95 59.01 3hu2 s SER 78 Cb -0.22 -2.29 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 3hu2 s SER 78 CO 0.25 -2.28 1.69 0.44 0.41 0.00 0.00 173.24 173.75 3hu2 h ASP 79 N -1.30 0.22 -0.42 2.44 3.45 -1.97 -3.20 116.42 115.64 3hu2 h ASP 79 Ca -0.47 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 56.90 3hu2 h ASP 79 Cb 1.26 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3hu2 h ASP 79 CO 0.54 0.25 0.00 -0.62 -1.57 0.00 0.00 179.24 177.84 3hu2 n GLU 80 N -4.91 3.09 -4.42 3.56 -0.58 -1.26 -4.72 120.64 111.40 3hu2 n GLU 80 Ca -0.04 -1.98 -0.25 0.00 -0.42 0.00 0.00 57.16 54.46 3hu2 n GLU 80 Cb 0.08 -1.79 -0.11 0.00 -0.57 0.00 0.00 31.44 29.04 3hu2 n GLU 80 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3hu2 s LYS 81 N -1.88 1.52 -0.09 3.49 1.02 -1.21 -1.75 119.74 120.85 3hu2 s LYS 81 Ca 0.35 -1.58 0.02 0.00 0.02 0.00 0.00 55.97 54.78 3hu2 s LYS 81 Cb 0.24 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.82 3hu2 s LYS 81 CO 0.15 0.36 -0.13 -1.50 -0.92 0.00 0.00 175.35 173.31 3hu2 s ILE 82 N -1.97 1.28 -0.27 2.17 2.07 0.13 -4.56 121.20 120.04 3hu2 s ILE 82 Ca 0.23 -0.52 -0.18 0.00 -1.41 0.00 0.00 60.65 58.77 3hu2 s ILE 82 Cb -0.07 -1.19 -0.02 0.00 0.13 0.00 0.00 42.46 41.31 3hu2 s ILE 82 CO 0.11 0.40 0.51 -0.13 -1.91 0.00 0.00 174.94 173.92 3hu2 s ARG 83 N 0.98 4.02 -0.08 3.50 0.52 -0.10 0.74 118.95 128.53 3hu2 s ARG 83 Ca -0.08 0.26 -0.09 0.00 -0.52 0.00 0.00 55.73 55.31 3hu2 s ARG 83 Cb -0.15 -3.67 0.02 0.00 0.52 0.00 0.00 34.95 31.67 3hu2 s ARG 83 CO -0.01 -0.39 0.24 0.00 0.02 0.00 0.00 175.30 175.17 3hu2 s MET 84 N 2.32 0.33 0.84 3.54 0.23 -0.32 -0.91 119.30 125.32 3hu2 s MET 84 Ca 0.21 0.23 -0.12 0.00 -1.03 0.00 0.00 55.69 54.98 3hu2 s MET 84 Cb -0.16 0.15 0.10 0.00 -1.53 0.00 0.00 34.83 33.40 3hu2 s MET 84 CO 0.10 -0.05 1.15 0.54 -2.03 0.00 0.00 175.02 174.72 3hu2 s ASN 85 N -0.11 4.18 0.42 -1.18 2.20 -1.26 -3.43 114.94 115.76 3hu2 s ASN 85 Ca -0.02 0.93 0.20 0.00 -0.94 0.00 0.00 52.86 53.02 3hu2 s ASN 85 Cb -0.02 -1.50 1.14 0.00 -2.00 0.00 0.00 41.25 38.86 3hu2 s ASN 85 CO 0.01 -2.13 1.83 0.00 -2.94 0.00 0.00 177.10 173.86 3hu2 h ALA 86 N -1.21 2.30 -0.10 3.54 0.00 -1.98 -1.66 119.26 120.15 3hu2 h ALA 86 Ca -0.48 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3hu2 h ALA 86 Cb 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hu2 h ALA 86 CO 0.64 -0.63 -0.05 0.28 0.00 0.00 0.00 179.25 179.49 3hu2 h VAL 87 N 0.36 1.32 -0.35 0.00 2.07 -1.92 0.33 116.25 118.06 3hu2 h VAL 87 Ca 0.52 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 3hu2 h VAL 87 Cb 1.37 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 3hu2 h VAL 87 CO -0.20 0.31 -0.15 0.58 0.02 0.00 0.00 177.57 178.13 3hu2 h VAL 88 N -0.15 1.28 -0.96 2.57 2.07 -1.66 -0.84 116.25 118.56 3hu2 h VAL 88 Ca 0.02 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.33 3hu2 h VAL 88 Cb 0.51 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3hu2 h VAL 88 CO 0.02 0.41 0.62 0.03 0.02 0.00 0.00 177.57 178.67 3hu2 h ARG 89 N 0.51 1.12 -0.30 1.57 3.08 -1.29 -0.65 114.38 118.42 3hu2 h ARG 89 Ca 0.08 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3hu2 h ARG 89 Cb 0.69 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3hu2 h ARG 89 CO 0.05 0.74 0.02 -0.97 -1.07 0.00 0.00 179.97 178.73 3hu2 h ASN 90 N 1.15 0.51 -0.04 7.04 -1.24 -0.09 0.03 115.58 122.94 3hu2 h ASN 90 Ca 0.40 -0.29 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 3hu2 h ASN 90 Cb 0.10 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3hu2 h ASN 90 CO -0.15 0.68 -0.11 0.78 -1.29 0.00 0.00 177.43 177.33 3hu2 h ASN 91 N 0.32 0.30 0.43 1.15 -0.26 -0.77 -0.99 115.58 115.77 3hu2 h ASN 91 Ca 0.09 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3hu2 h ASN 91 Cb 0.41 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 3hu2 h ASN 91 CO 0.01 0.45 -0.11 0.18 -1.06 0.00 0.00 177.43 176.91 3hu2 n LEU 92 N -4.26 0.38 -3.64 1.61 4.77 -0.29 -4.41 117.00 111.17 3hu2 n LEU 92 Ca -0.00 0.07 -0.20 0.00 -0.03 0.00 0.00 56.01 55.84 3hu2 n LEU 92 Cb 0.28 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3hu2 n LEU 92 CO 0.38 0.07 -0.03 0.54 -1.33 0.00 0.00 177.39 177.02 3hu2 n ARG 93 N -1.05 -5.13 -4.72 3.23 5.12 -0.38 -1.56 116.66 112.17 3hu2 n ARG 93 Ca 0.14 0.66 -0.24 0.00 -1.93 0.00 0.00 57.85 56.48 3hu2 n ARG 93 Cb 0.28 -5.30 -0.16 0.00 -1.16 0.00 0.00 32.46 26.12 3hu2 n ARG 93 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3hu2 s VAL 94 N -3.61 1.24 0.47 1.55 -7.23 -0.09 -4.42 120.40 108.32 3hu2 s VAL 94 Ca 0.01 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 59.47 3hu2 s VAL 94 Cb -0.00 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.83 3hu2 s VAL 94 CO 0.80 0.36 0.81 -0.13 -0.31 0.00 0.00 175.10 176.63 3hu2 s ARG 95 N -0.10 3.64 0.20 4.82 3.00 -1.26 -4.43 118.95 124.82 3hu2 s ARG 95 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 55.73 55.79 3hu2 s ARG 95 Cb -0.09 -2.34 -0.14 0.00 0.00 0.00 0.00 34.95 32.38 3hu2 s ARG 95 CO 0.01 -0.19 1.34 1.28 0.00 0.00 0.00 175.30 177.74 3hu2 n LEU 96 N -1.96 2.47 0.00 2.53 4.32 -1.26 -2.55 117.00 120.55 3hu2 n LEU 96 Ca 0.02 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 57.14 3hu2 n LEU 96 Cb 0.55 -1.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 3hu2 n LEU 96 CO 0.52 -0.78 0.00 0.61 -1.22 0.00 0.00 177.39 176.52 3hu2 n GLY 97 N 2.28 0.57 3.79 -0.72 0.00 0.46 -4.95 105.19 106.62 3hu2 n GLY 97 Ca 0.14 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 3hu2 n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hu2 s ASP 98 N -2.87 5.63 0.07 1.61 1.01 -1.06 -4.82 116.67 116.25 3hu2 s ASP 98 Ca 0.00 0.02 -0.27 0.00 0.71 0.00 0.00 52.55 53.01 3hu2 s ASP 98 Cb 0.00 -1.54 -0.06 0.00 1.01 0.00 0.00 42.92 42.33 3hu2 s ASP 98 CO 0.00 0.16 0.83 0.68 0.21 0.00 0.00 175.17 177.06 3hu2 s VAL 99 N -1.43 4.64 0.09 -1.27 -7.23 -1.26 -1.45 120.40 112.49 3hu2 s VAL 99 Ca 0.30 1.79 0.05 0.00 -1.81 0.00 0.00 61.98 62.31 3hu2 s VAL 99 Cb -0.12 -4.19 -0.03 0.00 0.56 0.00 0.00 36.38 32.60 3hu2 s VAL 99 CO 0.23 0.35 -0.13 0.27 -0.31 0.00 0.00 175.10 175.51 3hu2 s ILE 100 N -0.06 1.13 -0.19 -0.62 -5.25 -0.93 -4.87 121.20 110.40 3hu2 s ILE 100 Ca 0.41 -1.52 -0.20 0.00 -0.99 0.00 0.00 60.65 58.35 3hu2 s ILE 100 Cb -0.22 -1.29 -0.03 0.00 2.95 0.00 0.00 42.46 43.88 3hu2 s ILE 100 CO 0.25 -0.38 0.59 -0.44 -1.79 0.00 0.00 174.94 173.17 3hu2 s SER 101 N -2.15 6.64 -0.15 4.36 0.01 -0.88 -1.88 113.70 119.65 3hu2 s SER 101 Ca 0.03 0.78 -0.13 0.00 1.31 0.00 0.00 55.95 57.94 3hu2 s SER 101 Cb -0.06 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 3hu2 s SER 101 CO 0.02 -0.23 0.28 -0.51 0.41 0.00 0.00 173.24 173.21 3hu2 s ILE 102 N 1.77 5.31 -0.02 1.44 2.07 -1.07 -0.49 121.20 130.20 3hu2 s ILE 102 Ca 0.27 0.52 0.04 0.00 -1.41 0.00 0.00 60.65 60.06 3hu2 s ILE 102 Cb -0.16 -3.61 -0.01 0.00 0.13 0.00 0.00 42.46 38.82 3hu2 s ILE 102 CO 0.10 0.42 -0.13 -1.58 -1.91 0.00 0.00 174.94 171.83 3hu2 s GLN 103 N 0.29 1.23 0.22 3.50 0.74 0.47 -4.82 119.66 121.30 3hu2 s GLN 103 Ca 0.16 -0.47 -0.32 0.00 0.05 0.00 0.00 55.36 54.78 3hu2 s GLN 103 Cb -0.13 -1.14 -0.12 0.00 1.10 0.00 0.00 33.01 32.72 3hu2 s GLN 103 CO 0.04 0.23 1.71 -0.35 -0.55 0.00 0.00 175.29 176.38 3hu2 n PRO 104 N 2.99 2.79 -3.29 1.67 -0.04 -1.26 -0.53 135.00 137.33 3hu2 n PRO 104 Ca -0.16 1.01 -0.25 0.00 -0.04 0.00 0.00 63.50 64.05 3hu2 n PRO 104 Cb 0.54 -2.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.08 3hu2 n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hu2 n PRO 106 N 1.17 0.13 -2.43 0.00 -0.02 -1.26 -4.43 135.00 128.16 3hu2 n PRO 106 Ca 0.25 0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 3hu2 n PRO 106 Cb 0.48 -1.65 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3hu2 n PRO 106 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hu2 n ASP 107 N -1.88 5.27 -3.89 2.55 8.00 -1.26 -4.89 116.55 120.44 3hu2 n ASP 107 Ca 0.06 -3.15 -0.30 0.00 0.71 0.00 0.00 54.79 52.11 3hu2 n ASP 107 Cb 0.39 -1.45 -0.16 0.00 -0.02 0.00 0.00 41.12 39.88 3hu2 n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hu2 s VAL 108 N -0.03 1.39 0.36 2.53 1.01 -1.26 -5.08 120.40 119.32 3hu2 s VAL 108 Ca 0.38 -1.27 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 3hu2 s VAL 108 Cb 0.09 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.60 3hu2 s VAL 108 CO 0.02 -0.24 0.93 -0.54 0.00 0.00 0.00 175.10 175.28 3hu2 s LYS 109 N 1.43 4.41 0.12 2.72 3.01 -1.26 -4.75 119.74 125.42 3hu2 s LYS 109 Ca -0.02 1.21 -0.31 0.00 -1.01 0.00 0.00 55.97 55.84 3hu2 s LYS 109 Cb -0.18 -2.54 -0.09 0.00 -1.01 0.00 0.00 37.83 34.00 3hu2 s LYS 109 CO -0.09 0.15 1.61 0.71 0.51 0.00 0.00 175.35 178.24 3hu2 s TYR 110 N -1.85 2.75 0.47 3.18 1.51 -1.26 -2.51 117.35 119.65 3hu2 s TYR 110 Ca 0.55 0.48 -0.21 0.00 -1.01 0.00 0.00 57.07 56.87 3hu2 s TYR 110 Cb -0.14 -3.95 -0.08 0.00 -0.11 0.00 0.00 41.96 37.68 3hu2 s TYR 110 CO 0.19 -3.64 1.07 0.20 -1.11 0.00 0.00 175.55 172.26 3hu2 s GLY 111 N 1.75 2.61 -0.00 0.71 0.00 -0.02 -4.80 107.32 107.58 3hu2 s GLY 111 Ca 0.72 0.71 0.03 0.00 0.00 0.00 0.00 44.72 46.17 3hu2 s GLY 111 CO 0.32 1.07 0.09 0.28 0.00 0.00 0.00 173.10 174.86 3hu2 n LYS 112 N -0.78 3.72 -3.54 2.90 4.01 -1.26 -3.56 118.16 119.65 3hu2 n LYS 112 Ca 0.09 -0.01 -0.15 0.00 -0.51 0.00 0.00 58.31 57.72 3hu2 n LYS 112 Cb 0.51 -0.80 -0.12 0.00 -0.51 0.00 0.00 35.03 34.11 3hu2 n LYS 112 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3hu2 s ARG 113 N -1.62 0.19 -0.00 1.97 0.52 -1.26 -0.97 118.95 117.79 3hu2 s ARG 113 Ca 0.00 0.45 0.07 0.00 -0.52 0.00 0.00 55.73 55.73 3hu2 s ARG 113 Cb 0.02 -0.68 -0.02 0.00 0.52 0.00 0.00 34.95 34.79 3hu2 s ARG 113 CO 0.11 -0.52 -0.23 0.96 0.02 0.00 0.00 175.30 175.65 3hu2 s ILE 114 N 2.39 1.80 -0.31 1.52 -4.36 0.23 -1.77 121.20 120.70 3hu2 s ILE 114 Ca 0.06 -1.05 -0.04 0.00 -0.26 0.00 0.00 60.65 59.35 3hu2 s ILE 114 Cb -0.14 -1.51 0.04 0.00 1.25 0.00 0.00 42.46 42.09 3hu2 s ILE 114 CO -0.11 0.44 0.04 -2.28 0.24 0.00 0.00 174.94 173.27 3hu2 s HIS 115 N -0.60 3.22 -0.02 1.37 2.46 0.01 -0.24 115.29 121.49 3hu2 s HIS 115 Ca 0.09 -1.55 0.07 0.00 0.47 0.00 0.00 55.06 54.13 3hu2 s HIS 115 Cb -0.09 -2.18 -0.02 0.00 -0.13 0.00 0.00 32.58 30.16 3hu2 s HIS 115 CO -0.00 -0.74 -0.22 0.14 -2.47 0.00 0.00 174.74 171.45 3hu2 s VAL 116 N 1.35 2.38 -0.03 0.89 -7.23 -0.26 -0.60 120.40 116.90 3hu2 s VAL 116 Ca -0.02 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.13 3hu2 s VAL 116 Cb -0.19 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.88 3hu2 s VAL 116 CO 0.00 0.55 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.49 3hu2 s LEU 117 N -0.76 1.76 0.78 1.32 1.43 -0.25 -4.17 118.68 118.79 3hu2 s LEU 117 Ca 0.11 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 3hu2 s LEU 117 Cb -0.10 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.63 3hu2 s LEU 117 CO 0.00 0.06 1.08 -2.16 0.23 0.00 0.00 176.35 175.56 3hu2 s PRO 118 N 0.24 2.24 -0.22 1.29 0.04 -1.26 -0.35 135.00 136.97 3hu2 s PRO 118 Ca -0.04 0.86 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 3hu2 s PRO 118 Cb -0.09 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3hu2 s PRO 118 CO 0.01 -1.56 0.29 0.42 0.04 0.00 0.00 177.00 176.19 3hu2 s ILE 119 N -3.04 5.27 0.31 0.56 1.01 -0.38 -0.59 121.20 124.34 3hu2 s ILE 119 Ca 0.60 0.46 0.05 0.00 0.00 0.00 0.00 60.65 61.77 3hu2 s ILE 119 Cb -0.15 -3.62 0.38 0.00 0.01 0.00 0.00 42.46 39.07 3hu2 s ILE 119 CO 0.55 0.29 1.59 -2.24 0.00 0.00 0.00 174.94 175.13 3hu2 h ASP 120 N 7.49 -0.24 1.29 3.58 2.03 -1.48 0.52 116.42 129.62 3hu2 h ASP 120 Ca -0.37 0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 3hu2 h ASP 120 Cb 1.17 0.40 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 3hu2 h ASP 120 CO 0.68 -0.33 0.00 -2.24 -1.03 0.00 0.00 179.24 176.33 3hu2 h ASP 121 N 0.05 0.00 -0.63 4.15 2.03 -1.95 -2.91 116.42 117.16 3hu2 h ASP 121 Ca 0.63 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.82 3hu2 h ASP 121 Cb 1.37 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.81 3hu2 h ASP 121 CO -0.84 0.00 0.14 0.35 -1.03 0.00 0.00 179.24 177.86 3hu2 n THR 122 N -2.72 2.82 -1.36 1.15 -2.24 0.17 -4.49 114.28 107.60 3hu2 n THR 122 Ca 0.03 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 3hu2 n THR 122 Cb 0.37 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 3hu2 n THR 122 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3hu2 n VAL 123 N 0.09 0.00 -2.10 2.28 3.14 -1.10 -4.51 118.33 116.13 3hu2 n VAL 123 Ca 0.34 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.30 3hu2 n VAL 123 Cb 1.27 0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 34.83 3hu2 n VAL 123 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3hu2 s GLU 124 N 0.00 4.24 0.00 1.45 2.02 -1.22 -4.73 118.70 120.46 3hu2 s GLU 124 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.11 3hu2 s GLU 124 Cb 0.00 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.59 3hu2 s GLU 124 CO 0.00 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.02 3hu2 n GLY 125 N 3.83 -0.79 2.92 -1.39 0.00 -1.26 -5.05 105.19 103.45 3hu2 n GLY 125 Ca 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3hu2 n GLY 125 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hu2 n ILE 126 N 0.97 -1.27 -0.08 -0.61 0.13 -1.26 -4.97 119.36 112.27 3hu2 n ILE 126 Ca 0.00 0.17 -0.12 0.00 -1.10 0.00 0.00 62.75 61.69 3hu2 n ILE 126 Cb 0.00 -2.50 -0.05 0.00 -0.84 0.00 0.00 39.64 36.24 3hu2 n ILE 126 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 3hu2 h THR 127 N 4.35 1.31 0.00 9.51 2.02 -1.97 -3.47 112.91 124.66 3hu2 h THR 127 Ca 0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3hu2 h THR 127 Cb 0.34 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3hu2 h THR 127 CO 0.00 0.38 0.00 0.61 0.37 0.00 0.00 175.52 176.88 3hu2 n GLY 128 N 0.03 0.26 3.40 2.16 0.00 -1.26 -3.60 105.19 106.18 3hu2 n GLY 128 Ca -0.05 0.63 -0.04 0.00 0.00 0.00 0.00 46.02 46.56 3hu2 n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hu2 s ASN 129 N -4.00 -0.69 0.16 1.61 3.84 -1.26 -5.08 114.94 109.53 3hu2 s ASN 129 Ca 0.00 1.18 -0.10 0.00 0.21 0.00 0.00 52.86 54.16 3hu2 s ASN 129 Cb 0.00 1.80 0.02 0.00 -0.55 0.00 0.00 41.25 42.53 3hu2 s ASN 129 CO 0.00 -0.23 1.56 -0.07 -2.79 0.00 0.00 177.10 175.57 3hu2 h LEU 130 N 8.09 1.02 -0.52 3.21 3.38 -1.98 -2.26 115.31 126.26 3hu2 h LEU 130 Ca -0.17 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.33 3hu2 h LEU 130 Cb 1.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3hu2 h LEU 130 CO 0.13 1.18 0.01 0.15 0.09 0.00 0.00 178.44 180.01 3hu2 h PHE 131 N 0.86 0.98 0.09 1.13 3.04 -1.96 -2.42 116.94 118.66 3hu2 h PHE 131 Ca 0.11 -0.16 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 3hu2 h PHE 131 Cb 0.78 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.04 3hu2 h PHE 131 CO 0.05 0.90 -0.04 1.49 -2.02 0.00 0.00 178.31 178.69 3hu2 h GLU 132 N 0.77 -0.11 -0.09 1.11 4.57 -1.95 0.26 114.58 119.14 3hu2 h GLU 132 Ca 0.15 0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.16 3hu2 h GLU 132 Cb 0.51 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3hu2 h GLU 132 CO 0.02 0.42 -0.70 0.28 -1.18 0.00 0.00 179.01 177.85 3hu2 h VAL 133 N -0.76 1.37 0.00 0.32 2.07 -1.53 -3.40 116.25 114.33 3hu2 h VAL 133 Ca -0.01 -2.09 -0.04 0.00 0.82 0.00 0.00 66.70 65.38 3hu2 h VAL 133 Cb 0.58 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3hu2 h VAL 133 CO 0.02 0.63 -0.68 -1.22 0.02 0.00 0.00 177.57 176.34 3hu2 n TYR 134 N -3.85 0.00 0.05 1.57 4.01 -0.93 -4.73 117.16 113.28 3hu2 n TYR 134 Ca -0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.52 3hu2 n TYR 134 Cb 0.69 -0.25 -0.08 0.00 -0.31 0.00 0.00 39.34 39.38 3hu2 n TYR 134 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hu2 h LEU 135 N -0.42 0.77 0.17 7.72 3.38 -1.25 -2.90 115.31 122.77 3hu2 h LEU 135 Ca -0.06 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 3hu2 h LEU 135 Cb 0.60 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hu2 h LEU 135 CO -0.04 1.42 -0.08 0.50 0.09 0.00 0.00 178.44 180.34 3hu2 h LYS 136 N 0.33 -0.21 0.00 1.13 3.64 -0.71 -2.00 116.57 118.75 3hu2 h LYS 136 Ca -0.11 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3hu2 h LYS 136 Cb 1.67 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.53 3hu2 h LYS 136 CO 0.19 -0.07 -0.08 -1.00 -2.27 0.00 0.00 179.45 176.21 3hu2 h PRO 137 N -0.31 0.00 -0.33 1.90 0.13 -1.78 0.81 132.00 132.43 3hu2 h PRO 137 Ca -0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.93 3hu2 h PRO 137 Cb 0.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.37 3hu2 h PRO 137 CO 0.04 0.08 -0.48 -0.92 -0.23 0.00 0.00 178.00 176.50 3hu2 h TYR 138 N 0.00 1.09 0.00 1.56 3.20 -1.38 -3.38 116.97 118.07 3hu2 h TYR 138 Ca -0.00 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3hu2 h TYR 138 Cb 0.39 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3hu2 h TYR 138 CO 0.00 1.19 -1.73 1.19 -1.64 0.00 0.00 178.16 177.17 3hu2 n PHE 139 N -4.03 0.00 -1.48 -3.82 3.72 -0.76 -4.83 117.46 106.26 3hu2 n PHE 139 Ca -0.03 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.89 3hu2 n PHE 139 Cb 0.59 -0.37 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 3hu2 n PHE 139 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3hu2 n LEU 140 N -2.06 2.21 0.00 4.37 7.94 0.25 -2.01 117.00 127.71 3hu2 n LEU 140 Ca -0.02 0.26 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 3hu2 n LEU 140 Cb 0.48 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3hu2 n LEU 140 CO 0.42 -0.82 0.00 -0.62 -1.11 0.00 0.00 177.39 175.26 3hu2 n GLU 141 N 8.40 -1.43 0.23 1.96 -0.58 -1.26 -4.84 120.64 123.12 3hu2 n GLU 141 Ca 0.41 0.36 0.13 0.00 -0.42 0.00 0.00 57.16 57.64 3hu2 n GLU 141 Cb 0.29 -4.62 0.29 0.00 -0.57 0.00 0.00 31.44 26.83 3hu2 n GLU 141 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hu2 h ALA 142 N 0.00 1.00 -6.52 0.62 0.00 -1.70 -3.48 119.26 109.18 3hu2 h ALA 142 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3hu2 h ALA 142 Cb 0.72 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3hu2 h ALA 142 CO 0.00 0.00 -0.91 0.66 0.00 0.00 0.00 179.25 179.00 3hu2 n TYR 143 N -3.08 -1.64 -2.54 0.00 4.01 -1.23 -4.91 117.16 107.77 3hu2 n TYR 143 Ca 0.03 0.65 -0.42 0.00 -0.16 0.00 0.00 57.90 58.00 3hu2 n TYR 143 Cb 0.48 -3.57 -0.03 0.00 -0.31 0.00 0.00 39.34 35.91 3hu2 n TYR 143 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hu2 s ARG 144 N -6.58 4.48 0.05 -0.72 0.52 -1.20 -4.65 118.95 110.86 3hu2 s ARG 144 Ca 0.10 1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 56.65 3hu2 s ARG 144 Cb -0.04 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 3hu2 s ARG 144 CO 0.90 -0.18 0.93 -1.25 0.02 0.00 0.00 175.30 175.72 3hu2 s PRO 145 N 1.06 4.60 0.01 3.54 0.04 -1.26 0.79 135.00 143.78 3hu2 s PRO 145 Ca 0.56 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.95 3hu2 s PRO 145 Cb -0.26 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 3hu2 s PRO 145 CO 0.29 0.12 -0.01 0.96 0.04 0.00 0.00 177.00 178.39 3hu2 s ILE 146 N 0.42 0.07 0.14 0.56 -4.36 -1.05 -4.75 121.20 112.23 3hu2 s ILE 146 Ca 0.47 -0.57 0.04 0.00 -0.26 0.00 0.00 60.65 60.34 3hu2 s ILE 146 Cb -0.22 -0.17 -0.04 0.00 1.25 0.00 0.00 42.46 43.28 3hu2 s ILE 146 CO 0.28 -0.31 0.15 -0.60 0.24 0.00 0.00 174.94 174.69 3hu2 s ARG 147 N -0.91 2.99 0.20 0.37 3.52 -1.26 -2.73 118.95 121.14 3hu2 s ARG 147 Ca -0.10 -0.78 -0.32 0.00 -0.13 0.00 0.00 55.73 54.40 3hu2 s ARG 147 Cb -0.06 -2.72 -0.13 0.00 -1.56 0.00 0.00 34.95 30.47 3hu2 s ARG 147 CO -0.01 0.51 1.54 1.17 -0.81 0.00 0.00 175.30 177.71 3hu2 n LYS 148 N -0.18 2.23 0.00 5.12 4.81 0.70 -2.57 118.16 128.28 3hu2 n LYS 148 Ca -0.08 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 3hu2 n LYS 148 Cb 0.54 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.04 3hu2 n LYS 148 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hu2 n GLY 149 N 2.94 1.26 3.70 3.14 0.00 0.98 -5.00 105.19 112.20 3hu2 n GLY 149 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hu2 n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hu2 n ASP 150 N 0.00 3.97 -4.39 1.61 9.92 -1.06 -4.70 116.55 121.89 3hu2 n ASP 150 Ca 0.00 1.03 -0.41 0.00 -0.53 0.00 0.00 54.79 54.88 3hu2 n ASP 150 Cb 0.00 -1.55 -0.11 0.00 -0.64 0.00 0.00 41.12 38.82 3hu2 n ASP 150 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hu2 s ILE 151 N 1.87 4.69 0.17 0.53 1.09 -1.26 -0.23 121.20 128.05 3hu2 s ILE 151 Ca 0.78 -0.81 0.11 0.00 -1.10 0.00 0.00 60.65 59.63 3hu2 s ILE 151 Cb -0.51 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 3hu2 s ILE 151 CO 0.35 -0.24 -0.22 0.72 -0.10 0.00 0.00 174.94 175.45 3hu2 s PHE 152 N 1.58 2.38 -0.09 3.97 -0.71 0.21 -4.78 117.98 120.53 3hu2 s PHE 152 Ca 0.03 -0.33 -0.03 0.00 -1.04 0.00 0.00 56.93 55.55 3hu2 s PHE 152 Cb -0.19 -1.21 -0.03 0.00 -1.21 0.00 0.00 43.02 40.38 3hu2 s PHE 152 CO 0.07 0.46 0.04 -1.17 -1.34 0.00 0.00 175.22 173.28 3hu2 s LEU 153 N -2.51 3.79 -0.03 -1.99 2.96 -1.26 -0.37 118.68 119.25 3hu2 s LEU 153 Ca 0.20 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3hu2 s LEU 153 Cb -0.09 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3hu2 s LEU 153 CO 0.10 0.39 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.73 3hu2 s VAL 154 N -0.92 0.82 -0.13 1.68 1.01 0.01 -4.98 120.40 117.88 3hu2 s VAL 154 Ca 0.14 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 3hu2 s VAL 154 Cb -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 3hu2 s VAL 154 CO 0.03 0.26 0.24 -0.13 0.00 0.00 0.00 175.10 175.50 3hu2 s ARG 155 N 0.35 3.96 -0.34 2.72 0.52 -1.26 -0.62 118.95 124.29 3hu2 s ARG 155 Ca -0.06 0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 3hu2 s ARG 155 Cb -0.10 -3.33 0.16 0.00 0.52 0.00 0.00 34.95 32.20 3hu2 s ARG 155 CO 0.01 0.48 0.43 0.20 0.02 0.00 0.00 175.30 176.44 3hu2 s GLY 156 N -0.22 -0.50 0.00 -3.53 0.00 -0.97 -4.91 107.32 97.18 3hu2 s GLY 156 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3hu2 s GLY 156 CO 0.04 3.04 0.00 0.61 0.00 0.00 0.00 173.10 176.80 3hu2 n GLY 157 N 4.82 1.21 0.25 0.20 0.00 -1.26 -3.56 105.19 106.85 3hu2 n GLY 157 Ca 0.06 0.39 0.02 0.00 0.00 0.00 0.00 46.02 46.50 3hu2 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu2 h MET 158 N 0.00 0.18 -2.94 1.61 -0.00 -2.03 -3.46 114.93 108.29 3hu2 h MET 158 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 59.70 59.73 3hu2 h MET 158 Cb 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 31.53 3hu2 h MET 158 CO 0.00 0.12 0.28 -0.98 -0.00 0.00 0.00 176.91 176.32 3hu2 s ARG 159 N -6.11 1.91 -0.08 -0.10 1.70 -1.23 -5.17 118.95 109.86 3hu2 s ARG 159 Ca -0.13 -1.14 -0.05 0.00 -0.47 0.00 0.00 55.73 53.94 3hu2 s ARG 159 Cb 0.20 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 35.13 3hu2 s ARG 159 CO 0.74 -0.89 0.11 0.00 -1.08 0.00 0.00 175.30 174.19 3hu2 s ALA 160 N -3.18 3.74 -0.07 7.88 0.00 -1.26 -2.30 121.76 126.57 3hu2 s ALA 160 Ca 0.13 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.42 3hu2 s ALA 160 Cb -0.05 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 3hu2 s ALA 160 CO 0.08 0.64 -0.21 0.08 0.00 0.00 0.00 175.76 176.36 3hu2 s VAL 161 N -1.06 2.42 0.06 0.00 1.01 0.21 -4.94 120.40 118.10 3hu2 s VAL 161 Ca 0.17 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 3hu2 s VAL 161 Cb -0.12 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 3hu2 s VAL 161 CO 0.07 0.57 0.58 -1.61 0.00 0.00 0.00 175.10 174.70 3hu2 s GLU 162 N -0.20 4.22 0.01 2.72 2.02 -1.26 -0.81 118.70 125.39 3hu2 s GLU 162 Ca -0.02 0.74 0.05 0.00 0.02 0.00 0.00 54.97 55.77 3hu2 s GLU 162 Cb -0.13 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 3hu2 s GLU 162 CO 0.03 0.60 -0.15 -0.06 0.02 0.00 0.00 175.26 175.70 3hu2 s PHE 163 N -0.98 1.36 -0.10 1.61 0.08 0.50 -1.24 117.98 119.20 3hu2 s PHE 163 Ca 0.29 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 57.01 3hu2 s PHE 163 Cb -0.19 -0.85 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 3hu2 s PHE 163 CO 0.19 0.01 0.06 0.21 -0.10 0.00 0.00 175.22 175.59 3hu2 s LYS 164 N -0.65 3.19 -0.56 0.44 2.20 0.52 -0.62 119.74 124.27 3hu2 s LYS 164 Ca 0.05 -0.29 -0.25 0.00 -0.36 0.00 0.00 55.97 55.12 3hu2 s LYS 164 Cb -0.07 -2.97 0.04 0.00 -1.51 0.00 0.00 37.83 33.32 3hu2 s LYS 164 CO 0.00 0.73 0.99 0.08 -0.36 0.00 0.00 175.35 176.80 3hu2 s VAL 165 N -0.93 4.31 -0.05 4.02 1.01 0.68 -1.09 120.40 128.34 3hu2 s VAL 165 Ca 0.14 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.36 3hu2 s VAL 165 Cb -0.12 -4.58 -0.31 0.00 0.00 0.00 0.00 36.38 31.38 3hu2 s VAL 165 CO 0.03 -1.17 0.72 0.58 0.00 0.00 0.00 175.10 175.26 3hu2 h VAL 166 N 6.05 1.10 -2.66 2.92 2.07 -1.19 0.28 116.25 124.82 3hu2 h VAL 166 Ca -0.26 -2.51 -0.11 0.00 0.82 0.00 0.00 66.70 64.64 3hu2 h VAL 166 Cb 1.07 2.86 -0.24 0.00 -1.52 0.00 0.00 31.29 33.46 3hu2 h VAL 166 CO 1.11 0.78 -0.20 -0.70 0.02 0.00 0.00 177.57 178.58 3hu2 s GLU 167 N -2.53 0.51 0.37 1.57 -6.30 -1.12 -4.76 118.70 106.44 3hu2 s GLU 167 Ca -0.16 0.64 0.08 0.00 -2.50 0.00 0.00 54.97 53.03 3hu2 s GLU 167 Cb 0.04 0.23 -0.06 0.00 0.00 0.00 0.00 34.13 34.34 3hu2 s GLU 167 CO 0.84 -0.07 0.07 0.95 0.02 0.00 0.00 175.26 177.07 3hu2 s THR 168 N 0.35 2.48 -0.10 -1.70 -4.23 -1.26 -0.81 115.64 110.36 3hu2 s THR 168 Ca -0.01 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3hu2 s THR 168 Cb -0.04 -2.89 -0.00 0.00 1.34 0.00 0.00 72.50 70.91 3hu2 s THR 168 CO -0.01 -0.11 -0.02 -0.78 -0.54 0.00 0.00 174.62 173.16 3hu2 h ASP 169 N 1.67 0.00 -4.15 3.99 3.58 -1.72 -3.44 116.42 116.35 3hu2 h ASP 169 Ca -0.43 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.51 3hu2 h ASP 169 Cb 1.25 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.39 3hu2 h ASP 169 CO 0.69 0.52 0.40 -2.84 -2.88 0.00 0.00 179.24 175.13 3hu2 s PRO 170 N -1.61 2.98 0.02 0.28 0.02 -1.26 -4.98 135.00 130.46 3hu2 s PRO 170 Ca -0.02 1.50 -0.05 0.00 0.02 0.00 0.00 61.00 62.45 3hu2 s PRO 170 Cb 0.00 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 3hu2 s PRO 170 CO 0.02 -1.12 1.09 0.77 -0.33 0.00 0.00 177.00 177.43 3hu2 h SER 171 N 0.47 -0.33 0.00 2.53 0.02 -2.00 -3.27 113.55 110.96 3hu2 h SER 171 Ca -0.48 0.05 -0.31 0.00 -0.84 0.00 0.00 61.79 60.21 3hu2 h SER 171 Cb 1.26 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.88 3hu2 h SER 171 CO 0.55 -0.05 -2.19 -0.81 -1.14 0.00 0.00 176.83 173.18 3hu2 n PRO 172 N -3.25 1.11 -3.86 3.45 -0.05 -1.26 -4.67 135.00 126.47 3hu2 n PRO 172 Ca -0.00 -0.02 -0.11 0.00 -0.05 0.00 0.00 63.50 63.32 3hu2 n PRO 172 Cb 0.05 -1.45 -0.09 0.00 -0.05 0.00 0.00 33.50 31.95 3hu2 n PRO 172 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 3hu2 s TYR 173 N -2.46 0.03 0.10 0.54 -0.85 -1.23 -0.21 117.35 113.26 3hu2 s TYR 173 Ca -0.09 -0.13 -0.17 0.00 -0.52 0.00 0.00 57.07 56.17 3hu2 s TYR 173 Cb 0.05 -0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.40 3hu2 s TYR 173 CO 0.72 -0.32 0.41 0.00 -1.52 0.00 0.00 175.55 174.84 3hu2 s ILE 175 N -3.40 4.92 -1.09 0.00 1.01 -1.04 -2.52 121.20 119.08 3hu2 s ILE 175 Ca 0.00 1.69 -0.21 0.00 0.00 0.00 0.00 60.65 62.13 3hu2 s ILE 175 Cb 0.01 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.38 3hu2 s ILE 175 CO -0.09 0.12 1.51 -0.69 0.00 0.00 0.00 174.94 175.78 3hu2 s VAL 176 N 1.52 4.02 0.86 2.92 1.01 0.24 -0.84 120.40 130.13 3hu2 s VAL 176 Ca 0.41 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3hu2 s VAL 176 Cb -0.18 -5.08 0.11 0.00 0.00 0.00 0.00 36.38 31.23 3hu2 s VAL 176 CO 0.17 -1.94 1.11 0.00 0.00 0.00 0.00 175.10 174.45 3hu2 s ALA 177 N 4.65 1.96 -0.12 5.51 0.00 -1.26 -3.21 121.76 129.30 3hu2 s ALA 177 Ca 0.47 -0.33 0.20 0.00 0.00 0.00 0.00 51.96 52.30 3hu2 s ALA 177 Cb 0.01 -3.08 1.08 0.00 0.00 0.00 0.00 23.12 21.12 3hu2 s ALA 177 CO -0.06 -2.04 1.58 -0.35 0.00 0.00 0.00 175.76 174.90 3hu2 n PRO 178 N -3.62 0.13 0.09 0.00 -0.04 -1.26 -2.23 135.00 128.07 3hu2 n PRO 178 Ca 0.07 0.62 -0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3hu2 n PRO 178 Cb 0.57 -2.01 0.29 0.00 -0.04 0.00 0.00 33.50 32.32 3hu2 n PRO 178 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3hu2 h ASP 179 N 0.00 0.26 -2.63 3.54 5.19 -1.93 -3.46 116.42 117.40 3hu2 h ASP 179 Ca 0.00 -0.08 -0.54 0.00 -0.62 0.00 0.00 57.03 55.78 3hu2 h ASP 179 Cb 0.16 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 3hu2 h ASP 179 CO 0.00 0.54 1.06 -0.89 -3.12 0.00 0.00 179.24 176.83 3hu2 s THR 180 N -4.43 3.49 -0.16 0.35 2.01 -0.95 -4.81 115.64 111.14 3hu2 s THR 180 Ca -0.05 0.68 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 3hu2 s THR 180 Cb 0.14 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3hu2 s THR 180 CO 0.76 -0.05 1.13 -0.69 -0.69 0.00 0.00 174.62 175.08 3hu2 s VAL 181 N 3.73 4.51 -0.79 3.82 1.01 -0.14 -4.92 120.40 127.61 3hu2 s VAL 181 Ca 0.73 1.82 -0.12 0.00 0.00 0.00 0.00 61.98 64.40 3hu2 s VAL 181 Cb -0.34 -4.17 0.21 0.00 0.00 0.00 0.00 36.38 32.07 3hu2 s VAL 181 CO 0.30 -0.11 0.71 -0.63 0.00 0.00 0.00 175.10 175.37 3hu2 s ILE 182 N 2.95 5.32 0.09 2.22 1.01 -1.26 -0.60 121.20 130.92 3hu2 s ILE 182 Ca 0.50 -2.51 -0.31 0.00 0.00 0.00 0.00 60.65 58.33 3hu2 s ILE 182 Cb -0.19 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.91 3hu2 s ILE 182 CO 0.13 -1.00 1.23 -1.00 0.00 0.00 0.00 174.94 174.30 3hu2 s HIS 183 N 0.18 3.40 -0.00 3.97 3.76 0.66 -4.93 115.29 122.33 3hu2 s HIS 183 Ca 0.17 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 3hu2 s HIS 183 Cb -0.12 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.10 3hu2 s HIS 183 CO -0.08 -1.46 0.62 0.00 -0.85 0.00 0.00 174.74 172.98 3hu2 s GLU 185 N -0.14 3.76 0.00 0.00 4.04 -1.26 -4.83 118.70 120.27 3hu2 s GLU 185 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 54.97 56.94 3hu2 s GLU 185 Cb 0.00 -2.50 0.00 0.00 0.02 0.00 0.00 34.13 31.65 3hu2 s GLU 185 CO 0.00 -0.59 0.00 0.41 -1.84 0.00 0.00 175.26 173.24 3hu2 n GLY 186 N 0.56 0.74 3.74 -3.83 0.00 -1.26 -4.97 105.19 100.18 3hu2 n GLY 186 Ca 0.06 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 3hu2 n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hu2 s GLU 187 N -0.97 4.45 0.19 1.61 0.41 -1.26 -5.01 118.70 118.12 3hu2 s GLU 187 Ca 0.00 1.98 -0.32 0.00 -0.41 0.00 0.00 54.97 56.22 3hu2 s GLU 187 Cb 0.00 -3.20 -0.11 0.00 -1.78 0.00 0.00 34.13 29.04 3hu2 s GLU 187 CO 0.00 -0.14 1.64 -2.14 -0.49 0.00 0.00 175.26 174.14 3hu2 s PRO 188 N -0.47 4.17 0.07 0.39 0.02 -1.26 -4.79 135.00 133.13 3hu2 s PRO 188 Ca 0.53 2.48 -0.31 0.00 0.02 0.00 0.00 61.00 63.73 3hu2 s PRO 188 Cb -0.35 -3.11 -0.08 0.00 0.02 0.00 0.00 34.50 30.98 3hu2 s PRO 188 CO 0.39 -0.68 1.63 0.42 -0.33 0.00 0.00 177.00 178.44 3hu2 s ILE 189 N 1.14 3.03 0.14 2.83 -1.09 0.24 -4.68 121.20 122.81 3hu2 s ILE 189 Ca 0.72 0.51 -0.31 0.00 -2.23 0.00 0.00 60.65 59.34 3hu2 s ILE 189 Cb -0.47 -3.33 -0.09 0.00 -1.58 0.00 0.00 42.46 36.99 3hu2 s ILE 189 CO 0.32 0.00 1.54 -0.54 -1.23 0.00 0.00 174.94 175.03 3hu2 s LYS 190 N 2.49 4.23 0.30 2.79 1.02 -1.26 -1.32 119.74 127.99 3hu2 s LYS 190 Ca 0.73 2.30 0.01 0.00 0.02 0.00 0.00 55.97 59.03 3hu2 s LYS 190 Cb -0.40 -3.23 0.55 0.00 -0.52 0.00 0.00 37.83 34.23 3hu2 s LYS 190 CO 0.32 -0.59 1.89 -0.09 -0.92 0.00 0.00 175.35 175.96 3hu2 h ARG 191 N 7.01 0.97 -0.53 1.68 9.65 -1.94 -2.70 114.38 128.53 3hu2 h ARG 191 Ca -0.42 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.43 3hu2 h ARG 191 Cb 1.20 -0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 29.54 3hu2 h ARG 191 CO 0.91 0.64 0.35 0.93 2.80 0.00 0.00 179.97 185.60 3hu2 h GLU 192 N 1.00 0.60 -0.60 0.20 5.08 -1.99 -1.07 114.58 117.80 3hu2 h GLU 192 Ca 0.42 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 3hu2 h GLU 192 Cb 0.29 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3hu2 h GLU 192 CO -0.17 0.40 0.21 -0.44 -1.00 0.00 0.00 179.01 178.00 3hu2 h ASP 193 N 0.62 0.86 1.90 1.42 3.45 -1.88 -0.95 116.42 121.84 3hu2 h ASP 193 Ca 0.21 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3hu2 h ASP 193 Cb 0.08 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3hu2 h ASP 193 CO -0.05 0.82 -0.07 -0.33 -1.57 0.00 0.00 179.24 178.04 3hu2 h GLU 194 N 0.84 0.00 -0.13 3.56 4.39 -1.45 -1.51 114.58 120.29 3hu2 h GLU 194 Ca 0.20 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.67 3hu2 h GLU 194 Cb 0.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3hu2 h GLU 194 CO -0.01 0.00 -0.79 0.93 -1.16 0.00 0.00 179.01 177.98 3hu2 h GLU 195 N 0.00 0.77 0.00 2.33 4.39 -1.13 -1.28 114.58 119.66 3hu2 h GLU 195 Ca 0.00 -0.65 -0.04 0.00 0.34 0.00 0.00 59.36 59.00 3hu2 h GLU 195 Cb 0.99 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3hu2 h GLU 195 CO 0.00 1.26 -0.20 1.49 -1.16 0.00 0.00 179.01 180.40 3hu2 h GLU 196 N 0.50 0.00 0.15 2.33 4.57 -1.00 -1.89 114.58 119.23 3hu2 h GLU 196 Ca -0.06 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.82 3hu2 h GLU 196 Cb 1.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 3hu2 h GLU 196 CO 0.16 0.20 -1.50 1.03 -1.18 0.00 0.00 179.01 177.73 3hu2 h SER 197 N 0.00 0.48 -0.46 1.04 0.87 -1.25 -2.76 113.55 111.46 3hu2 h SER 197 Ca -0.00 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 3hu2 h SER 197 Cb 0.51 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3hu2 h SER 197 CO 0.03 1.67 0.29 -0.07 -0.53 0.00 0.00 176.83 178.22 3hu2 h LEU 198 N -0.16 0.54 -3.61 2.23 3.38 -1.25 -3.10 115.31 113.35 3hu2 h LEU 198 Ca -0.31 -0.04 -0.44 0.00 0.09 0.00 0.00 57.88 57.18 3hu2 h LEU 198 Cb 1.88 -0.14 -0.23 0.00 0.09 0.00 0.00 40.66 42.27 3hu2 h LEU 198 CO 0.11 0.42 0.57 0.59 0.09 0.00 0.00 178.44 180.22 3hu2 n ASN 199 N -4.74 5.17 -4.77 -0.43 4.13 -0.71 -4.89 115.26 109.02 3hu2 n ASN 199 Ca 0.02 -3.31 -0.39 0.00 1.68 0.00 0.00 54.58 52.57 3hu2 n ASN 199 Cb 0.04 -0.87 -0.03 0.00 -1.54 0.00 0.00 39.78 37.37 3hu2 n ASN 199 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3hu2 s GLU 200 N -2.65 4.33 0.19 3.52 2.02 -1.04 -4.91 118.70 120.16 3hu2 s GLU 200 Ca 0.45 1.81 -0.30 0.00 0.02 0.00 0.00 54.97 56.96 3hu2 s GLU 200 Cb 0.37 -2.90 -0.08 0.00 0.10 0.00 0.00 34.13 31.62 3hu2 s GLU 200 CO 0.04 -0.07 1.15 0.08 0.02 0.00 0.00 175.26 176.49 3hu2 s VAL 201 N -1.33 3.69 0.10 2.63 1.01 -1.26 -5.05 120.40 120.19 3hu2 s VAL 201 Ca 0.51 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.95 3hu2 s VAL 201 Cb -0.31 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 3hu2 s VAL 201 CO 0.39 0.24 0.02 0.61 0.00 0.00 0.00 175.10 176.37 3hu2 n GLY 202 N 2.07 3.97 0.22 4.51 0.00 -1.26 -4.24 105.19 110.46 3hu2 n GLY 202 Ca 0.03 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 44.08 3hu2 n GLY 202 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hu2 h TYR 203 N 1.12 0.00 0.00 1.61 0.99 -1.94 -2.44 116.97 116.31 3hu2 h TYR 203 Ca -0.08 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 3hu2 h TYR 203 Cb 0.27 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.00 3hu2 h TYR 203 CO 0.00 0.26 -0.16 -0.44 -0.00 0.00 0.00 178.16 177.81 3hu2 h ASP 204 N 0.00 0.00 0.31 3.88 3.32 -2.00 -3.06 116.42 118.87 3hu2 h ASP 204 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hu2 h ASP 204 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3hu2 h ASP 204 CO 0.03 0.16 -0.04 0.47 -1.72 0.00 0.00 179.24 178.14 3hu2 n ASP 205 N -3.51 0.28 -4.17 6.45 9.92 -0.92 -4.71 116.55 119.89 3hu2 n ASP 205 Ca -0.01 -0.61 -0.34 0.00 -0.53 0.00 0.00 54.79 53.30 3hu2 n ASP 205 Cb 0.32 -0.11 -0.15 0.00 -0.64 0.00 0.00 41.12 40.53 3hu2 n ASP 205 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hu2 s ILE 206 N -2.35 2.45 0.19 0.53 1.10 -1.16 -4.98 121.20 116.98 3hu2 s ILE 206 Ca 0.34 -0.92 0.10 0.00 -0.51 0.00 0.00 60.65 59.66 3hu2 s ILE 206 Cb 0.21 -2.12 -0.04 0.00 0.15 0.00 0.00 42.46 40.66 3hu2 s ILE 206 CO 0.44 0.42 -0.14 -0.83 -2.11 0.00 0.00 174.94 172.72 3hu2 s GLY 207 N 1.32 1.73 -0.78 1.50 0.00 -1.26 -4.70 107.32 105.12 3hu2 s GLY 207 Ca 0.03 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3hu2 s GLY 207 CO -0.09 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.05 3hu2 n GLY 208 N 0.05 0.74 0.79 0.20 0.00 -1.26 -4.76 105.19 100.96 3hu2 n GLY 208 Ca -0.11 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.28 3hu2 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu2 h ARG 210 N 0.49 -0.27 0.00 0.00 3.08 -1.91 0.49 114.38 116.26 3hu2 h ARG 210 Ca -0.08 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3hu2 h ARG 210 Cb 1.45 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.56 3hu2 h ARG 210 CO 0.03 -0.18 -0.26 1.57 -1.07 0.00 0.00 179.97 180.07 3hu2 h LYS 211 N -0.28 0.00 0.06 0.04 2.10 -1.99 -1.41 116.57 115.10 3hu2 h LYS 211 Ca 0.16 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.58 3hu2 h LYS 211 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 3hu2 h LYS 211 CO -0.56 0.26 -1.07 1.96 -2.00 0.00 0.00 179.45 178.04 3hu2 h GLN 212 N 0.00 0.21 -0.43 0.07 7.50 -1.54 -2.40 115.11 118.52 3hu2 h GLN 212 Ca -0.00 -0.30 -0.10 0.00 0.50 0.00 0.00 58.65 58.75 3hu2 h GLN 212 Cb 0.48 0.10 -0.02 0.00 0.05 0.00 0.00 27.48 28.10 3hu2 h GLN 212 CO 0.03 1.09 -0.12 -0.07 -1.50 0.00 0.00 178.83 178.27 3hu2 h LEU 213 N 0.08 0.78 -0.25 1.46 3.38 0.42 -1.92 115.31 119.27 3hu2 h LEU 213 Ca -0.08 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3hu2 h LEU 213 Cb 1.77 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 3hu2 h LEU 213 CO 0.17 0.91 0.06 0.00 0.09 0.00 0.00 178.44 179.67 3hu2 h ALA 214 N 1.16 0.26 -0.98 1.53 0.00 -1.19 -1.33 119.26 118.71 3hu2 h ALA 214 Ca 0.12 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hu2 h ALA 214 Cb 0.60 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3hu2 h ALA 214 CO 0.04 -0.36 0.65 1.96 0.00 0.00 0.00 179.25 181.54 3hu2 h GLN 215 N 0.16 1.29 -0.39 0.00 4.20 -1.25 0.09 115.11 119.20 3hu2 h GLN 215 Ca 0.11 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 3hu2 h GLN 215 Cb 0.10 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3hu2 h GLN 215 CO -0.14 0.86 -0.17 0.82 -0.67 0.00 0.00 178.83 179.53 3hu2 h ILE 216 N 1.33 1.28 -0.37 2.54 2.04 -1.01 0.79 117.51 124.12 3hu2 h ILE 216 Ca 0.36 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 3hu2 h ILE 216 Cb -0.15 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3hu2 h ILE 216 CO -0.08 0.43 -0.12 0.11 0.00 0.00 0.00 178.15 178.49 3hu2 h LYS 217 N 0.62 0.64 -0.16 2.37 1.57 -0.64 0.21 116.57 121.18 3hu2 h LYS 217 Ca 0.09 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3hu2 h LYS 217 Cb 0.71 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3hu2 h LYS 217 CO 0.05 0.75 0.03 0.93 -0.57 0.00 0.00 179.45 180.64 3hu2 h GLU 218 N 0.59 0.27 0.00 3.15 5.08 -0.74 0.34 114.58 123.26 3hu2 h GLU 218 Ca 0.10 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3hu2 h GLU 218 Cb 0.56 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3hu2 h GLU 218 CO 0.03 0.44 -0.96 0.52 -1.00 0.00 0.00 179.01 178.04 3hu2 h MET 219 N 0.05 0.00 0.00 2.33 2.86 -0.60 -3.37 114.93 116.20 3hu2 h MET 219 Ca 0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3hu2 h MET 219 Cb 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 3hu2 h MET 219 CO 0.00 0.11 -0.85 0.28 1.06 0.00 0.00 176.91 177.51 3hu2 n VAL 220 N -2.82 0.36 -0.03 -2.22 0.31 0.73 -4.68 118.33 109.97 3hu2 n VAL 220 Ca -0.02 0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 3hu2 n VAL 220 Cb 0.64 -1.55 -0.10 0.00 -0.91 0.00 0.00 33.84 31.91 3hu2 n VAL 220 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3hu2 h GLU 221 N -0.06 0.06 -0.42 5.55 4.57 -1.18 -3.14 114.58 119.96 3hu2 h GLU 221 Ca -0.03 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3hu2 h GLU 221 Cb 0.81 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3hu2 h GLU 221 CO -0.02 0.68 0.25 1.25 -1.18 0.00 0.00 179.01 179.99 3hu2 h LEU 222 N -0.55 0.40 -1.30 1.64 5.85 -0.54 -0.64 115.31 120.18 3hu2 h LEU 222 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hu2 h LEU 222 Cb 0.68 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3hu2 h LEU 222 CO 0.01 0.29 -0.03 -0.65 -0.34 0.00 0.00 178.44 177.72 3hu2 h PRO 223 N 0.50 0.00 0.03 5.25 0.11 -1.72 -1.02 132.00 135.15 3hu2 h PRO 223 Ca 0.17 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 3hu2 h PRO 223 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3hu2 h PRO 223 CO -0.07 0.03 -0.81 -0.07 -0.21 0.00 0.00 178.00 176.87 3hu2 h LEU 224 N 0.00 0.11 -0.16 2.35 3.38 -1.42 -3.24 115.31 116.32 3hu2 h LEU 224 Ca -0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3hu2 h LEU 224 Cb 0.58 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hu2 h LEU 224 CO 0.00 1.33 -0.46 0.54 0.09 0.00 0.00 178.44 179.95 3hu2 n ARG 225 N -4.37 0.26 -2.97 1.13 1.74 -0.27 -4.32 116.66 107.85 3hu2 n ARG 225 Ca -0.22 -0.16 -0.14 0.00 -0.77 0.00 0.00 57.85 56.57 3hu2 n ARG 225 Cb 0.66 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3hu2 n ARG 225 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hu2 n HIS 226 N -1.23 0.45 0.30 -1.55 8.25 -0.39 -4.96 115.22 116.09 3hu2 n HIS 226 Ca 0.07 -3.35 0.19 0.00 -0.26 0.00 0.00 57.72 54.37 3hu2 n HIS 226 Cb 0.34 -0.33 0.91 0.00 1.12 0.00 0.00 29.99 32.03 3hu2 n HIS 226 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hu2 h PRO 227 N 2.99 0.00 -0.93 -0.41 0.13 -1.70 -2.58 132.00 129.49 3hu2 h PRO 227 Ca 0.01 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.31 3hu2 h PRO 227 Cb 1.06 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.09 3hu2 h PRO 227 CO 0.48 0.00 0.52 0.00 -0.23 0.00 0.00 178.00 178.78 3hu2 h ALA 228 N 2.02 1.46 -0.14 -0.56 0.00 -1.92 -2.30 119.26 117.83 3hu2 h ALA 228 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hu2 h ALA 228 Cb 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hu2 h ALA 228 CO 0.00 -0.05 -0.13 -0.07 0.00 0.00 0.00 179.25 179.00 3hu2 h LEU 229 N 0.71 -0.40 -0.27 0.00 3.38 -1.85 0.33 115.31 117.21 3hu2 h LEU 229 Ca 0.52 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.48 3hu2 h LEU 229 Cb 0.75 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3hu2 h LEU 229 CO -0.37 -0.17 -0.16 -0.26 0.09 0.00 0.00 178.44 177.58 3hu2 h PHE 230 N -0.15 0.69 -0.47 1.13 -1.00 -1.69 0.24 116.94 115.69 3hu2 h PHE 230 Ca 0.09 -0.18 -0.00 0.00 2.81 0.00 0.00 57.97 60.69 3hu2 h PHE 230 Cb 0.28 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 3hu2 h PHE 230 CO -0.25 0.85 0.28 -0.22 -1.61 0.00 0.00 178.31 177.37 3hu2 h LYS 231 N 0.33 0.63 -0.51 1.51 3.11 -1.28 0.26 116.57 120.61 3hu2 h LYS 231 Ca 0.06 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.79 3hu2 h LYS 231 Cb 0.68 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.76 3hu2 h LYS 231 CO 0.05 0.46 0.10 0.00 -2.81 0.00 0.00 179.45 177.25 3hu2 h ALA 232 N 1.14 0.68 0.00 5.00 0.00 -0.01 -2.14 119.26 123.92 3hu2 h ALA 232 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hu2 h ALA 232 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hu2 h ALA 232 CO -0.03 0.39 0.00 1.51 0.00 0.00 0.00 179.25 181.12 3hu2 n ILE 233 N -4.42 0.18 -1.83 0.00 3.06 0.81 -4.92 119.36 112.25 3hu2 n ILE 233 Ca 0.02 0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.29 3hu2 n ILE 233 Cb 0.24 -0.58 0.00 0.00 0.54 0.00 0.00 39.64 39.84 3hu2 n ILE 233 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3hu2 n GLY 234 N 1.25 0.41 3.19 4.50 0.00 0.07 -5.05 105.19 109.56 3hu2 n GLY 234 Ca 0.06 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 3hu2 n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hu2 s VAL 235 N -2.00 1.76 -0.09 1.61 1.01 0.68 -5.00 120.40 118.38 3hu2 s VAL 235 Ca 0.00 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 3hu2 s VAL 235 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3hu2 s VAL 235 CO 0.00 0.50 0.93 -0.54 0.00 0.00 0.00 175.10 175.99 3hu2 s LYS 236 N 0.08 4.43 0.43 2.72 1.02 -1.26 -4.02 119.74 123.15 3hu2 s LYS 236 Ca -0.08 1.27 -0.25 0.00 0.02 0.00 0.00 55.97 56.94 3hu2 s LYS 236 Cb -0.14 -3.52 -0.08 0.00 -0.52 0.00 0.00 37.83 33.57 3hu2 s LYS 236 CO 0.04 -0.21 1.26 -1.25 -0.92 0.00 0.00 175.35 174.27 3hu2 s PRO 237 N 1.66 3.84 0.57 -1.68 0.04 -1.26 -5.00 135.00 133.18 3hu2 s PRO 237 Ca 0.46 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.33 3hu2 s PRO 237 Cb -0.19 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 3hu2 s PRO 237 CO 0.19 -0.56 1.28 -2.14 0.04 0.00 0.00 177.00 175.82 3hu2 s PRO 238 N -2.42 3.03 0.00 0.56 0.02 -1.26 -4.98 135.00 129.94 3hu2 s PRO 238 Ca 0.60 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3hu2 s PRO 238 Cb -0.35 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.08 3hu2 s PRO 238 CO 0.44 -1.22 0.73 2.89 -0.33 0.00 0.00 177.00 179.51 3hu2 n ARG 239 N -1.32 1.11 -3.53 5.54 1.85 -1.26 -4.95 116.66 114.10 3hu2 n ARG 239 Ca 0.12 -0.98 -0.14 0.00 -1.00 0.00 0.00 57.85 55.85 3hu2 n ARG 239 Cb 0.47 -0.96 -0.12 0.00 -1.05 0.00 0.00 32.46 30.81 3hu2 n ARG 239 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3hu2 s GLY 240 N -0.50 -0.14 -0.19 2.89 0.00 -1.08 -1.25 107.32 107.05 3hu2 s GLY 240 Ca 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 3hu2 s GLY 240 CO 0.00 2.20 -0.11 -0.42 0.00 0.00 0.00 173.10 174.78 3hu2 s ILE 241 N 2.42 2.93 -0.22 0.90 1.09 0.66 -2.38 121.20 126.60 3hu2 s ILE 241 Ca 0.06 -0.65 -0.06 0.00 -1.10 0.00 0.00 60.65 58.89 3hu2 s ILE 241 Cb -0.14 -2.29 -0.02 0.00 -1.06 0.00 0.00 42.46 38.94 3hu2 s ILE 241 CO -0.12 0.48 0.02 -0.22 -0.10 0.00 0.00 174.94 175.01 3hu2 s LEU 242 N 1.18 3.29 -0.24 2.97 2.96 0.76 -0.98 118.68 128.63 3hu2 s LEU 242 Ca 0.02 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.53 3hu2 s LEU 242 Cb -0.14 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3hu2 s LEU 242 CO -0.04 0.01 0.47 -0.76 -1.32 0.00 0.00 176.35 174.71 3hu2 s LEU 243 N 1.31 4.09 0.29 -0.68 1.43 0.24 0.11 118.68 125.47 3hu2 s LEU 243 Ca 0.04 0.52 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 3hu2 s LEU 243 Cb -0.15 -2.61 -0.06 0.00 0.03 0.00 0.00 46.19 43.41 3hu2 s LEU 243 CO 0.02 -0.20 -0.00 -0.72 0.23 0.00 0.00 176.35 175.67 3hu2 s TYR 244 N 1.91 1.91 0.00 0.29 -0.85 -0.70 -1.09 117.35 118.81 3hu2 s TYR 244 Ca 0.20 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 3hu2 s TYR 244 Cb -0.15 -1.16 0.00 0.00 0.38 0.00 0.00 41.96 41.02 3hu2 s TYR 244 CO 0.09 0.13 0.00 0.41 -1.52 0.00 0.00 175.55 174.66 3hu2 n GLY 245 N -0.60 -0.50 3.72 5.49 0.00 -1.16 -0.41 105.19 111.73 3hu2 n GLY 245 Ca -0.04 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 3hu2 n GLY 245 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hu2 s PRO 246 N -1.77 1.66 0.19 1.61 0.02 -1.26 -4.13 135.00 131.32 3hu2 s PRO 246 Ca 0.00 1.31 -0.33 0.00 0.02 0.00 0.00 61.00 62.00 3hu2 s PRO 246 Cb 0.00 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.56 3hu2 s PRO 246 CO 0.00 -2.11 1.47 -2.30 -0.33 0.00 0.00 177.00 173.73 3hu2 n PRO 247 N -3.86 1.99 -1.86 5.54 -0.02 -1.26 -3.50 135.00 132.03 3hu2 n PRO 247 Ca 0.10 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 62.29 3hu2 n PRO 247 Cb 0.53 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3hu2 n PRO 247 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hu2 n GLY 248 N 2.72 0.35 0.09 -1.23 0.00 -1.26 -4.93 105.19 100.94 3hu2 n GLY 248 Ca 0.14 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 45.28 3hu2 n GLY 248 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hu2 n THR 249 N -3.85 1.14 0.00 2.61 -2.24 -1.23 -1.46 114.28 109.26 3hu2 n THR 249 Ca -0.01 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3hu2 n THR 249 Cb 0.43 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 3hu2 n THR 249 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hu2 n GLY 250 N 1.39 0.21 0.13 3.38 0.00 -1.26 -4.52 105.19 104.51 3hu2 n GLY 250 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3hu2 n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hu2 h LYS 251 N 0.00 0.32 -0.48 1.61 1.57 -1.94 0.34 116.57 117.98 3hu2 h LYS 251 Ca 0.00 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 3hu2 h LYS 251 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hu2 h LYS 251 CO 0.00 0.64 -0.17 1.15 -0.57 0.00 0.00 179.45 180.50 3hu2 h THR 252 N -0.01 1.27 -0.54 -0.16 2.02 -1.98 -1.12 112.91 112.38 3hu2 h THR 252 Ca 0.03 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 65.91 3hu2 h THR 252 Cb 0.54 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3hu2 h THR 252 CO 0.02 0.46 0.34 0.25 0.37 0.00 0.00 175.52 176.96 3hu2 h LEU 253 N 0.82 0.57 -0.66 2.58 5.85 -1.90 0.21 115.31 122.77 3hu2 h LEU 253 Ca 0.12 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hu2 h LEU 253 Cb 0.74 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3hu2 h LEU 253 CO 0.06 0.40 0.32 0.40 -0.34 0.00 0.00 178.44 179.28 3hu2 h ILE 254 N 0.68 1.22 -0.84 4.05 2.04 -0.20 0.11 117.51 124.58 3hu2 h ILE 254 Ca 0.21 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.48 3hu2 h ILE 254 Cb -0.02 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 3hu2 h ILE 254 CO -0.08 0.26 0.53 0.00 0.00 0.00 0.00 178.15 178.86 3hu2 h ALA 255 N 1.14 1.12 -0.42 1.87 0.00 -0.54 0.40 119.26 122.84 3hu2 h ALA 255 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hu2 h ALA 255 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hu2 h ALA 255 CO -0.03 0.32 0.12 0.00 0.00 0.00 0.00 179.25 179.66 3hu2 h ARG 256 N 1.00 0.65 -0.37 0.00 2.47 -0.23 -1.45 114.38 116.45 3hu2 h ARG 256 Ca 0.35 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.90 3hu2 h ARG 256 Cb 0.07 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3hu2 h ARG 256 CO -0.14 0.65 0.15 0.00 0.56 0.00 0.00 179.97 181.20 3hu2 h ALA 257 N 0.97 0.48 -0.46 0.04 0.00 0.39 -1.76 119.26 118.93 3hu2 h ALA 257 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hu2 h ALA 257 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hu2 h ALA 257 CO -0.00 0.09 0.18 0.28 0.00 0.00 0.00 179.25 179.80 3hu2 h VAL 258 N 0.46 1.20 -0.65 0.00 2.07 -0.27 0.16 116.25 119.22 3hu2 h VAL 258 Ca 0.12 -0.63 0.13 0.00 0.82 0.00 0.00 66.70 67.15 3hu2 h VAL 258 Cb 0.19 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3hu2 h VAL 258 CO -0.01 0.24 0.44 0.00 0.02 0.00 0.00 177.57 178.26 3hu2 h ALA 259 N 1.03 2.18 0.00 1.67 0.00 -0.89 -1.27 119.26 121.98 3hu2 h ALA 259 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hu2 h ALA 259 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hu2 h ALA 259 CO -0.01 -0.34 -1.61 0.09 0.00 0.00 0.00 179.25 177.38 3hu2 n ASN 260 N -4.45 0.35 -0.01 0.00 5.03 -0.38 -4.45 115.26 111.35 3hu2 n ASN 260 Ca 0.12 -0.23 0.09 0.00 0.87 0.00 0.00 54.58 55.42 3hu2 n ASN 260 Cb 0.50 1.55 -0.13 0.00 -1.02 0.00 0.00 39.78 40.68 3hu2 n ASN 260 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3hu2 n GLU 261 N -2.08 0.78 -2.84 3.52 -0.58 0.41 -3.84 120.64 116.01 3hu2 n GLU 261 Ca -0.01 -0.11 -0.32 0.00 -0.42 0.00 0.00 57.16 56.30 3hu2 n GLU 261 Cb 0.50 -1.39 -0.05 0.00 -0.57 0.00 0.00 31.44 29.93 3hu2 n GLU 261 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3hu2 s THR 262 N -3.05 4.65 -0.32 2.62 -4.23 -0.55 -4.64 115.64 110.13 3hu2 s THR 262 Ca -0.02 0.95 0.24 0.00 -1.18 0.00 0.00 61.69 61.68 3hu2 s THR 262 Cb 0.12 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.61 3hu2 s THR 262 CO 0.74 -0.43 1.67 1.23 -0.54 0.00 0.00 174.62 177.28 3hu2 h GLY 263 N 1.55 0.00 -2.74 3.99 0.00 -1.95 -3.46 103.07 100.46 3hu2 h GLY 263 Ca -0.47 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.38 3hu2 h GLY 263 CO 0.63 0.00 0.39 0.00 0.00 0.00 0.00 176.54 177.57 3hu2 s ALA 264 N -3.28 3.10 0.27 3.60 0.00 -1.26 -5.01 121.76 119.18 3hu2 s ALA 264 Ca 0.06 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 3hu2 s ALA 264 Cb 0.06 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 3hu2 s ALA 264 CO 0.65 -0.11 1.49 0.34 0.00 0.00 0.00 175.76 178.13 3hu2 n PHE 265 N -0.01 2.50 -4.99 0.00 7.35 -0.83 -4.81 117.46 116.67 3hu2 n PHE 265 Ca 0.05 0.36 -0.29 0.00 -0.76 0.00 0.00 57.45 56.81 3hu2 n PHE 265 Cb 0.50 -2.52 -0.17 0.00 0.35 0.00 0.00 39.48 37.64 3hu2 n PHE 265 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 3hu2 s PHE 266 N -0.12 2.11 -0.13 -5.13 5.36 -1.26 0.34 117.98 119.15 3hu2 s PHE 266 Ca 0.65 -0.80 -0.00 0.00 -0.96 0.00 0.00 56.93 55.82 3hu2 s PHE 266 Cb -0.57 -1.44 0.02 0.00 -0.34 0.00 0.00 43.02 40.70 3hu2 s PHE 266 CO 0.50 -0.33 -0.11 0.12 -1.46 0.00 0.00 175.22 173.95 3hu2 s PHE 267 N 0.36 1.82 -0.09 10.12 2.19 0.05 -4.98 117.98 127.45 3hu2 s PHE 267 Ca -0.14 -0.99 -0.14 0.00 0.33 0.00 0.00 56.93 55.99 3hu2 s PHE 267 Cb -0.16 -1.41 -0.05 0.00 -1.31 0.00 0.00 43.02 40.09 3hu2 s PHE 267 CO 0.06 -0.59 0.33 -1.17 1.83 0.00 0.00 175.22 175.68 3hu2 s LEU 268 N 1.60 4.36 -0.16 6.12 2.96 -1.26 -0.51 118.68 131.78 3hu2 s LEU 268 Ca 0.05 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 3hu2 s LEU 268 Cb -0.13 -2.44 0.03 0.00 0.50 0.00 0.00 46.19 44.15 3hu2 s LEU 268 CO -0.09 0.22 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.41 3hu2 s ILE 269 N -0.33 1.54 -0.08 6.68 1.01 0.12 -4.95 121.20 125.20 3hu2 s ILE 269 Ca 0.20 -0.74 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 3hu2 s ILE 269 Cb -0.14 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3hu2 s ILE 269 CO 0.08 0.34 0.53 0.20 0.00 0.00 0.00 174.94 176.09 3hu2 s ASN 270 N 1.48 6.80 0.12 3.58 0.01 -1.26 -0.21 114.94 125.45 3hu2 s ASN 270 Ca 0.03 0.96 -0.31 0.00 -0.71 0.00 0.00 52.86 52.82 3hu2 s ASN 270 Cb -0.14 -2.32 -0.11 0.00 0.41 0.00 0.00 41.25 39.09 3hu2 s ASN 270 CO -0.10 0.03 1.51 1.23 -1.51 0.00 0.00 177.10 178.27 3hu2 h GLY 271 N 6.32 -1.10 1.81 0.66 0.00 -0.24 -1.48 103.07 109.03 3hu2 h GLY 271 Ca -0.43 0.71 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 3hu2 h GLY 271 CO 0.73 -0.19 -0.02 -2.55 0.00 0.00 0.00 176.54 174.51 3hu2 h PRO 272 N -0.45 0.25 -0.90 4.80 0.11 -1.83 -1.32 132.00 132.67 3hu2 h PRO 272 Ca 0.05 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.21 3hu2 h PRO 272 Cb 0.59 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.58 3hu2 h PRO 272 CO -0.49 0.29 0.55 0.93 -0.21 0.00 0.00 178.00 179.07 3hu2 h GLU 273 N 0.25 0.91 0.07 1.05 4.39 -1.86 0.10 114.58 119.48 3hu2 h GLU 273 Ca 0.06 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hu2 h GLU 273 Cb 0.20 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3hu2 h GLU 273 CO 0.01 0.60 -0.03 0.82 -1.16 0.00 0.00 179.01 179.24 3hu2 h ILE 274 N 0.94 1.22 0.00 3.13 1.08 -0.32 -3.24 117.51 120.32 3hu2 h ILE 274 Ca 0.42 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 3hu2 h ILE 274 Cb 0.31 1.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 3hu2 h ILE 274 CO -0.22 0.28 0.00 0.23 -0.69 0.00 0.00 178.15 177.75 3hu2 n MET 275 N -4.89 0.18 0.15 2.37 2.81 -0.59 -1.83 117.12 115.32 3hu2 n MET 275 Ca -0.09 0.15 0.03 0.00 -1.81 0.00 0.00 57.70 55.99 3hu2 n MET 275 Cb 0.27 -1.50 0.13 0.00 -0.71 0.00 0.00 33.22 31.40 3hu2 n MET 275 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3hu2 h SER 276 N 0.00 0.00 -3.34 7.83 4.64 -0.83 -3.47 113.55 118.38 3hu2 h SER 276 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3hu2 h SER 276 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3hu2 h SER 276 CO 0.00 0.49 -0.04 -0.54 -0.87 0.00 0.00 176.83 175.86 3hu2 s LYS 277 N -3.17 3.64 0.70 4.77 1.02 -0.76 -5.05 119.74 120.89 3hu2 s LYS 277 Ca 0.02 0.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.96 3hu2 s LYS 277 Cb 0.09 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 3hu2 s LYS 277 CO 0.73 0.08 0.85 1.28 -0.92 0.00 0.00 175.35 177.37 3hu2 n LEU 278 N -1.32 2.82 -4.68 3.17 4.77 -1.26 -4.63 117.00 115.88 3hu2 n LEU 278 Ca -0.01 0.67 -0.46 0.00 -0.03 0.00 0.00 56.01 56.19 3hu2 n LEU 278 Cb 0.54 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.24 3hu2 n LEU 278 CO 0.49 -2.30 1.27 0.00 -1.33 0.00 0.00 177.39 175.52 3hu2 n ALA 279 N -2.35 1.44 0.00 -1.18 0.00 -1.26 -1.74 120.51 115.43 3hu2 n ALA 279 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3hu2 n ALA 279 Cb 0.49 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3hu2 n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu2 n GLY 280 N 3.67 2.31 0.23 0.00 0.00 -1.26 -4.69 105.19 105.46 3hu2 n GLY 280 Ca 0.18 -0.44 0.16 0.00 0.00 0.00 0.00 46.02 45.92 3hu2 n GLY 280 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hu2 h GLU 281 N 0.00 0.00 0.11 1.61 4.81 -1.81 -0.99 114.58 118.32 3hu2 h GLU 281 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 3hu2 h GLU 281 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3hu2 h GLU 281 CO 0.00 0.00 -1.81 0.66 -0.73 0.00 0.00 179.01 177.13 3hu2 h SER 282 N 0.00 0.38 -0.95 1.04 4.64 -1.60 -3.09 113.55 113.97 3hu2 h SER 282 Ca 0.00 -0.88 0.02 0.00 -0.47 0.00 0.00 61.79 60.46 3hu2 h SER 282 Cb 0.06 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 3hu2 h SER 282 CO 0.00 1.78 0.62 -0.33 -0.87 0.00 0.00 176.83 178.03 3hu2 h GLU 283 N -0.11 1.20 -0.72 4.77 3.07 -1.73 -1.82 114.58 119.24 3hu2 h GLU 283 Ca -0.39 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.38 3hu2 h GLU 283 Cb 1.91 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 29.52 3hu2 h GLU 283 CO 0.05 0.79 0.38 1.03 -1.40 0.00 0.00 179.01 179.87 3hu2 h SER 284 N 1.24 0.91 -0.30 1.42 0.87 -1.37 -1.41 113.55 114.91 3hu2 h SER 284 Ca 0.37 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 3hu2 h SER 284 Cb -0.06 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 3hu2 h SER 284 CO -0.10 0.76 0.06 0.78 -0.53 0.00 0.00 176.83 177.80 3hu2 h ASN 285 N 0.99 0.53 -0.03 6.23 -0.26 -1.27 0.25 115.58 122.03 3hu2 h ASN 285 Ca 0.25 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3hu2 h ASN 285 Cb 0.06 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.19 3hu2 h ASN 285 CO -0.04 0.56 0.01 -0.07 -1.06 0.00 0.00 177.43 176.82 3hu2 h LEU 286 N 0.56 0.04 -0.50 1.61 3.38 -1.32 -2.18 115.31 116.90 3hu2 h LEU 286 Ca 0.13 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.95 3hu2 h LEU 286 Cb 0.26 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 3hu2 h LEU 286 CO 0.00 0.28 -0.03 -0.09 0.09 0.00 0.00 178.44 178.69 3hu2 h ARG 287 N -0.20 0.08 -0.26 1.13 2.43 -0.97 -2.26 114.38 114.33 3hu2 h ARG 287 Ca 0.01 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3hu2 h ARG 287 Cb 0.25 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3hu2 h ARG 287 CO 0.00 0.06 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.12 3hu2 h LYS 288 N 0.09 0.47 -0.32 0.20 3.64 -0.93 -1.44 116.57 118.27 3hu2 h LYS 288 Ca 0.25 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3hu2 h LYS 288 Cb 0.38 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3hu2 h LYS 288 CO -0.44 0.63 0.07 0.00 -2.27 0.00 0.00 179.45 177.44 3hu2 h ALA 289 N 1.39 0.42 -0.22 5.00 0.00 -0.83 -0.27 119.26 124.75 3hu2 h ALA 289 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hu2 h ALA 289 Cb 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hu2 h ALA 289 CO 0.04 0.09 -0.26 0.74 0.00 0.00 0.00 179.25 179.86 3hu2 h PHE 290 N 0.36 0.68 -0.77 0.00 -1.00 -1.01 -1.32 116.94 113.87 3hu2 h PHE 290 Ca 0.10 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 3hu2 h PHE 290 Cb 0.31 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.69 3hu2 h PHE 290 CO 0.02 0.92 0.43 0.93 -1.61 0.00 0.00 178.31 179.00 3hu2 h GLU 291 N 0.25 1.07 -0.11 1.51 5.08 -1.26 0.58 114.58 121.69 3hu2 h GLU 291 Ca 0.03 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3hu2 h GLU 291 Cb 0.83 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hu2 h GLU 291 CO 0.06 0.78 0.03 1.49 -1.00 0.00 0.00 179.01 180.36 3hu2 h GLU 292 N 1.07 0.18 -0.62 2.33 4.57 -0.90 0.11 114.58 121.33 3hu2 h GLU 292 Ca 0.27 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 3hu2 h GLU 292 Cb 0.01 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3hu2 h GLU 292 CO -0.05 0.36 0.21 0.00 -1.18 0.00 0.00 179.01 178.35 3hu2 h ALA 293 N 0.82 0.80 -0.82 2.92 0.00 -1.02 -0.42 119.26 121.55 3hu2 h ALA 293 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hu2 h ALA 293 Cb 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3hu2 h ALA 293 CO 0.00 0.46 0.54 0.93 0.00 0.00 0.00 179.25 181.18 3hu2 h GLU 294 N 0.87 1.08 -0.42 0.00 5.08 -0.77 -2.87 114.58 117.55 3hu2 h GLU 294 Ca 0.20 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3hu2 h GLU 294 Cb 0.26 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3hu2 h GLU 294 CO -0.01 0.71 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.32 3hu2 h LYS 295 N 1.11 0.85 -4.26 2.33 3.64 -0.22 -3.33 116.57 116.69 3hu2 h LYS 295 Ca 0.30 -0.36 -0.76 0.00 -1.27 0.00 0.00 60.65 58.56 3hu2 h LYS 295 Cb -0.13 -0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 31.46 3hu2 h LYS 295 CO -0.06 1.00 1.20 0.09 -2.27 0.00 0.00 179.45 179.41 3hu2 n ASN 296 N -4.24 5.33 0.00 4.20 4.13 -0.22 -4.98 115.26 119.49 3hu2 n ASN 296 Ca -0.01 -3.03 0.00 0.00 1.68 0.00 0.00 54.58 53.22 3hu2 n ASN 296 Cb 0.42 -1.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.15 3hu2 n ASN 296 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hu2 n ALA 297 N 4.56 0.00 -2.62 5.41 0.00 -1.25 -3.84 120.51 122.77 3hu2 n ALA 297 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 3hu2 n ALA 297 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 3hu2 n ALA 297 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hu2 s PRO 298 N -0.51 3.95 0.03 0.00 0.02 -1.26 -4.55 135.00 132.69 3hu2 s PRO 298 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.80 3hu2 s PRO 298 Cb 0.00 -3.76 -0.03 0.00 0.02 0.00 0.00 34.50 30.73 3hu2 s PRO 298 CO 0.00 -0.88 -0.04 0.00 -0.33 0.00 0.00 177.00 175.75 3hu2 s ALA 299 N 3.46 0.29 -0.13 -1.55 0.00 -0.65 -1.97 121.76 121.20 3hu2 s ALA 299 Ca 0.40 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3hu2 s ALA 299 Cb -0.12 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 3hu2 s ALA 299 CO 0.16 -0.18 -0.18 0.42 0.00 0.00 0.00 175.76 175.98 3hu2 s ILE 300 N -1.98 2.48 -0.26 0.00 1.01 0.15 -1.98 121.20 120.63 3hu2 s ILE 300 Ca -0.10 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 3hu2 s ILE 300 Cb -0.06 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 3hu2 s ILE 300 CO -0.03 0.53 0.16 -0.63 0.00 0.00 0.00 174.94 174.98 3hu2 s ILE 301 N 0.59 5.23 -0.29 2.92 1.01 -0.55 -0.77 121.20 129.34 3hu2 s ILE 301 Ca -0.11 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 3hu2 s ILE 301 Cb -0.16 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 38.85 3hu2 s ILE 301 CO 0.03 0.31 0.08 0.12 0.00 0.00 0.00 174.94 175.48 3hu2 s PHE 302 N 1.40 3.14 -0.76 3.97 5.36 0.33 0.12 117.98 131.53 3hu2 s PHE 302 Ca 0.07 -0.95 -0.14 0.00 -0.96 0.00 0.00 56.93 54.95 3hu2 s PHE 302 Cb -0.15 -2.25 0.20 0.00 -0.34 0.00 0.00 43.02 40.48 3hu2 s PHE 302 CO 0.07 -0.56 0.70 0.42 -1.46 0.00 0.00 175.22 174.39 3hu2 s ILE 303 N 1.50 5.45 0.19 3.12 1.01 0.93 0.12 121.20 133.53 3hu2 s ILE 303 Ca 0.03 -2.31 -0.30 0.00 0.00 0.00 0.00 60.65 58.07 3hu2 s ILE 303 Cb -0.17 -4.40 -0.08 0.00 0.01 0.00 0.00 42.46 37.82 3hu2 s ILE 303 CO 0.02 -0.99 1.08 -0.62 0.00 0.00 0.00 174.94 174.43 3hu2 s ASP 304 N 2.37 7.31 -1.01 3.58 2.15 0.71 -1.99 116.67 129.79 3hu2 s ASP 304 Ca 0.15 2.08 -0.06 0.00 0.43 0.00 0.00 52.55 55.16 3hu2 s ASP 304 Cb -0.14 -2.61 -0.07 0.00 -0.30 0.00 0.00 42.92 39.80 3hu2 s ASP 304 CO -0.06 -0.18 0.89 -0.62 -0.17 0.00 0.00 175.17 175.02 3hu2 n GLU 305 N 2.19 -2.16 -0.35 4.34 1.02 -0.42 0.34 120.64 125.60 3hu2 n GLU 305 Ca 0.02 0.85 0.07 0.00 -0.02 0.00 0.00 57.16 58.07 3hu2 n GLU 305 Cb 0.46 -5.69 0.24 0.00 -0.02 0.00 0.00 31.44 26.44 3hu2 n GLU 305 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hu2 h LEU 306 N -1.02 0.92 -2.00 -4.62 5.85 -1.00 -2.91 115.31 110.53 3hu2 h LEU 306 Ca -0.58 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.36 3hu2 h LEU 306 Cb 1.30 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3hu2 h LEU 306 CO 0.42 0.52 0.48 -2.24 -0.34 0.00 0.00 178.44 177.28 3hu2 h ASP 307 N 1.00 0.00 -0.55 1.25 3.04 -1.86 0.22 116.42 119.52 3hu2 h ASP 307 Ca 0.47 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 54.20 3hu2 h ASP 307 Cb 0.42 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.69 3hu2 h ASP 307 CO -0.23 0.00 0.12 0.00 -2.04 0.00 0.00 179.24 177.09 3hu2 h ALA 308 N 1.63 1.08 0.00 4.15 0.00 -1.88 -3.28 119.26 120.97 3hu2 h ALA 308 Ca 0.30 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3hu2 h ALA 308 Cb 1.26 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3hu2 h ALA 308 CO -0.00 0.60 -2.16 0.44 0.00 0.00 0.00 179.25 178.13 3hu2 n ILE 309 N -4.24 0.76 -3.03 0.00 -5.35 0.59 -4.70 119.36 103.39 3hu2 n ILE 309 Ca 0.04 -0.67 -0.25 0.00 -0.27 0.00 0.00 62.75 61.60 3hu2 n ILE 309 Cb 0.26 -0.27 -0.04 0.00 -1.74 0.00 0.00 39.64 37.84 3hu2 n ILE 309 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hu2 n ALA 310 N -2.50 4.14 -1.90 -1.28 0.00 -0.14 -4.09 120.51 114.74 3hu2 n ALA 310 Ca -0.20 -4.47 -0.29 0.00 0.00 0.00 0.00 53.44 48.48 3hu2 n ALA 310 Cb 0.88 -0.78 0.08 0.00 0.00 0.00 0.00 19.45 19.63 3hu2 n ALA 310 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hu2 s PRO 311 N -3.17 2.17 -0.17 0.00 0.04 -1.24 -2.27 135.00 130.36 3hu2 s PRO 311 Ca 0.46 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 61.36 3hu2 s PRO 311 Cb 0.28 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 3hu2 s PRO 311 CO -0.12 -1.45 2.14 0.15 0.04 0.00 0.00 177.00 177.77 3hu2 s LYS 312 N -5.50 3.37 0.50 4.56 1.02 -0.97 -4.03 119.74 118.69 3hu2 s LYS 312 Ca 0.61 2.13 0.09 0.00 0.02 0.00 0.00 55.97 58.82 3hu2 s LYS 312 Cb -0.11 -4.32 0.49 0.00 -0.52 0.00 0.00 37.83 33.38 3hu2 s LYS 312 CO 0.49 -1.83 1.19 0.00 -0.92 0.00 0.00 175.35 174.27 3hu2 h ARG 313 N 13.94 0.00 0.10 1.68 3.08 -1.93 0.40 114.38 131.65 3hu2 h ARG 313 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 3hu2 h ARG 313 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3hu2 h ARG 313 CO 0.96 0.00 -0.05 0.93 -1.07 0.00 0.00 179.97 180.74 3hu2 h GLU 314 N 0.00 -0.13 -2.60 0.04 5.08 -2.02 -3.39 114.58 111.57 3hu2 h GLU 314 Ca 0.00 0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 3hu2 h GLU 314 Cb 1.29 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 3hu2 h GLU 314 CO 0.00 -0.09 0.97 1.17 -1.00 0.00 0.00 179.01 180.07 3hu2 n LYS 315 N -3.71 1.93 -3.40 2.33 4.81 0.13 -4.66 118.16 115.58 3hu2 n LYS 315 Ca -0.02 -1.10 -0.04 0.00 -0.87 0.00 0.00 58.31 56.29 3hu2 n LYS 315 Cb 0.05 -2.12 -0.06 0.00 0.02 0.00 0.00 35.03 32.92 3hu2 n LYS 315 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 3hu2 s THR 316 N 1.99 -0.78 0.06 3.15 -1.32 -1.21 -4.61 115.64 112.91 3hu2 s THR 316 Ca 0.51 0.01 -0.02 0.00 -1.21 0.00 0.00 61.69 60.98 3hu2 s THR 316 Cb 0.20 -0.86 -0.27 0.00 -1.51 0.00 0.00 72.50 70.06 3hu2 s THR 316 CO -0.02 -0.03 1.09 0.45 -2.21 0.00 0.00 174.62 173.91 3hu2 h HIS 317 N 8.10 0.40 -3.64 9.09 3.86 -1.92 -3.44 115.15 127.60 3hu2 h HIS 317 Ca -0.19 -0.29 -0.51 0.00 -1.16 0.00 0.00 60.37 58.22 3hu2 h HIS 317 Cb 1.14 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 3hu2 h HIS 317 CO 0.16 1.25 0.37 0.20 0.86 0.00 0.00 177.93 180.77 3hu2 s GLY 318 N -4.73 3.03 0.17 2.45 0.00 -1.26 -4.99 107.32 102.00 3hu2 s GLY 318 Ca -0.04 0.63 -0.12 0.00 0.00 0.00 0.00 44.72 45.19 3hu2 s GLY 318 CO 0.87 1.38 1.75 0.83 0.00 0.00 0.00 173.10 177.93 3hu2 h GLU 319 N 4.93 0.87 -0.77 2.90 5.08 -1.99 -0.61 114.58 124.99 3hu2 h GLU 319 Ca -0.44 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3hu2 h GLU 319 Cb 1.21 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 3hu2 h GLU 319 CO 0.70 0.72 0.49 0.28 -1.00 0.00 0.00 179.01 180.19 3hu2 h VAL 320 N 0.82 1.20 -0.26 3.13 2.07 -1.98 0.11 116.25 121.35 3hu2 h VAL 320 Ca 0.20 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 3hu2 h VAL 320 Cb 0.14 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3hu2 h VAL 320 CO -0.02 0.21 -0.15 -0.33 0.02 0.00 0.00 177.57 177.29 3hu2 h GLU 321 N 1.05 0.56 -0.65 1.57 5.08 -1.86 -0.78 114.58 119.54 3hu2 h GLU 321 Ca 0.28 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3hu2 h GLU 321 Cb -0.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3hu2 h GLU 321 CO -0.06 0.82 0.26 0.00 -1.00 0.00 0.00 179.01 179.04 3hu2 h ARG 322 N 0.28 0.95 -0.65 2.33 3.08 -0.86 -2.81 114.38 116.70 3hu2 h ARG 322 Ca 0.05 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3hu2 h ARG 322 Cb 0.67 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3hu2 h ARG 322 CO 0.04 0.78 0.13 -0.09 -1.07 0.00 0.00 179.97 179.76 3hu2 h ARG 323 N 0.94 1.05 -0.69 0.04 2.43 -0.38 -3.00 114.38 114.77 3hu2 h ARG 323 Ca 0.22 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3hu2 h ARG 323 Cb 0.18 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3hu2 h ARG 323 CO -0.02 0.94 0.15 0.82 -1.51 0.00 0.00 179.97 180.36 3hu2 h ILE 324 N 0.99 1.26 -0.57 1.20 2.04 -0.89 -0.02 117.51 121.52 3hu2 h ILE 324 Ca 0.20 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3hu2 h ILE 324 Cb 0.39 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3hu2 h ILE 324 CO 0.01 0.38 0.35 0.58 0.00 0.00 0.00 178.15 179.46 3hu2 h VAL 325 N 1.05 1.06 -0.44 1.67 2.07 -1.45 -1.62 116.25 118.59 3hu2 h VAL 325 Ca 0.21 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 3hu2 h VAL 325 Cb 0.39 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3hu2 h VAL 325 CO 0.01 0.12 -0.11 0.28 0.02 0.00 0.00 177.57 177.90 3hu2 h SER 326 N 0.68 0.77 -0.97 0.57 0.02 -1.29 -1.96 113.55 111.37 3hu2 h SER 326 Ca 0.23 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3hu2 h SER 326 Cb 0.03 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 3hu2 h SER 326 CO -0.10 0.90 0.64 -0.61 -1.14 0.00 0.00 176.83 176.52 3hu2 h GLN 327 N 0.71 1.26 0.03 3.45 5.75 -0.58 -2.19 115.11 123.55 3hu2 h GLN 327 Ca 0.12 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3hu2 h GLN 327 Cb 0.59 -0.29 0.00 0.00 1.07 0.00 0.00 27.48 28.85 3hu2 h GLN 327 CO 0.04 0.84 -0.01 1.25 -2.65 0.00 0.00 178.83 178.29 3hu2 h LEU 328 N 1.30 -0.03 -0.78 -2.39 5.85 -0.77 -2.49 115.31 116.00 3hu2 h LEU 328 Ca 0.36 -0.52 0.17 0.00 0.84 0.00 0.00 57.88 58.73 3hu2 h LEU 328 Cb -0.13 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 40.80 3hu2 h LEU 328 CO -0.08 0.52 0.28 -0.07 -0.34 0.00 0.00 178.44 178.74 3hu2 h LEU 329 N -0.60 0.19 -0.92 2.25 3.38 -1.38 -0.04 115.31 118.19 3hu2 h LEU 329 Ca -0.00 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hu2 h LEU 329 Cb 0.55 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3hu2 h LEU 329 CO 0.01 0.03 0.53 0.74 0.09 0.00 0.00 178.44 179.84 3hu2 h THR 330 N 0.37 1.26 -0.19 0.22 2.02 -1.31 -1.99 112.91 113.29 3hu2 h THR 330 Ca 0.45 -0.60 -0.15 0.00 0.77 0.00 0.00 66.41 66.88 3hu2 h THR 330 Cb 0.76 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3hu2 h THR 330 CO -0.47 0.28 -0.47 -0.07 0.37 0.00 0.00 175.52 175.16 3hu2 h LEU 331 N 1.28 0.75 -0.44 2.58 3.38 -0.72 0.26 115.31 122.41 3hu2 h LEU 331 Ca 0.33 -0.57 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3hu2 h LEU 331 Cb -0.02 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3hu2 h LEU 331 CO -0.06 1.18 0.10 0.24 0.09 0.00 0.00 178.44 179.99 3hu2 h MET 332 N 0.35 0.23 0.00 1.13 2.86 -0.86 -1.36 114.93 117.28 3hu2 h MET 332 Ca -0.00 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3hu2 h MET 332 Cb 1.08 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 3hu2 h MET 332 CO 0.10 0.15 -0.36 -0.44 1.06 0.00 0.00 176.91 177.43 3hu2 h ASP 333 N 0.23 0.00 0.56 1.22 3.32 -1.24 -3.30 116.42 117.23 3hu2 h ASP 333 Ca 0.21 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 3hu2 h ASP 333 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3hu2 h ASP 333 CO -0.27 0.36 -0.39 1.23 -1.72 0.00 0.00 179.24 178.45 3hu2 h GLY 334 N 2.74 0.00 -5.76 2.75 0.00 0.64 -3.42 103.07 100.02 3hu2 h GLY 334 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3hu2 h GLY 334 CO 0.05 0.00 1.10 1.08 0.00 0.00 0.00 176.54 178.77 3hu2 s LEU 335 N -7.63 4.04 0.84 3.11 1.43 -0.90 -5.03 118.68 114.55 3hu2 s LEU 335 Ca -0.02 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 3hu2 s LEU 335 Cb 0.13 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.91 3hu2 s LEU 335 CO 0.70 -1.13 1.14 -0.54 0.23 0.00 0.00 176.35 176.75 3hu2 s LYS 336 N 4.42 1.71 0.16 1.70 1.02 -1.26 -4.96 119.74 122.53 3hu2 s LYS 336 Ca 0.71 0.33 -0.17 0.00 0.02 0.00 0.00 55.97 56.86 3hu2 s LYS 336 Cb -0.27 -1.90 0.09 0.00 -0.52 0.00 0.00 37.83 35.23 3hu2 s LYS 336 CO 0.28 -1.81 1.69 1.96 -0.92 0.00 0.00 175.35 176.55 3hu2 h GLN 337 N -1.22 0.05 -0.36 1.68 1.08 -1.97 -2.48 115.11 111.90 3hu2 h GLN 337 Ca -0.48 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 3hu2 h GLN 337 Cb 1.31 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3hu2 h GLN 337 CO 0.63 0.03 0.00 2.89 -0.95 0.00 0.00 178.83 181.43 3hu2 n ARG 338 N -5.24 0.55 0.09 1.46 -4.01 -1.26 -3.52 116.66 104.74 3hu2 n ARG 338 Ca 0.02 0.00 -0.14 0.00 -1.04 0.00 0.00 57.85 56.69 3hu2 n ARG 338 Cb 0.20 -1.18 -0.13 0.00 -3.04 0.00 0.00 32.46 28.31 3hu2 n ARG 338 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3hu2 h ALA 339 N 1.74 0.16 -5.92 2.89 0.00 -1.82 -3.48 119.26 112.83 3hu2 h ALA 339 Ca 0.00 -0.89 -0.38 0.00 0.00 0.00 0.00 54.91 53.64 3hu2 h ALA 339 Cb 0.18 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.04 3hu2 h ALA 339 CO 0.00 1.04 -0.82 0.72 0.00 0.00 0.00 179.25 180.19 3hu2 n HIS 340 N -3.49 -2.03 -3.95 0.00 8.25 -1.23 -4.72 115.22 108.05 3hu2 n HIS 340 Ca -0.06 0.86 -0.26 0.00 -0.26 0.00 0.00 57.72 57.99 3hu2 n HIS 340 Cb 1.00 -4.55 -0.17 0.00 1.12 0.00 0.00 29.99 27.39 3hu2 n HIS 340 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hu2 s VAL 341 N -3.55 0.98 -0.17 1.59 1.01 -1.26 -1.64 120.40 117.35 3hu2 s VAL 341 Ca 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 3hu2 s VAL 341 Cb -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3hu2 s VAL 341 CO 0.78 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 175.63 3hu2 s ILE 342 N 1.63 4.37 -0.31 2.22 -1.09 -0.84 -4.90 121.20 122.28 3hu2 s ILE 342 Ca 0.03 -0.18 -0.11 0.00 -2.23 0.00 0.00 60.65 58.15 3hu2 s ILE 342 Cb -0.13 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3hu2 s ILE 342 CO -0.07 0.47 0.20 -0.69 -1.23 0.00 0.00 174.94 173.62 3hu2 s VAL 343 N 0.39 5.11 -0.02 2.92 1.01 -0.38 -1.48 120.40 127.95 3hu2 s VAL 343 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3hu2 s VAL 343 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3hu2 s VAL 343 CO 0.01 0.11 0.07 -0.04 0.00 0.00 0.00 175.10 175.25 3hu2 s MET 344 N 1.71 3.07 0.03 2.72 -1.94 0.33 -0.25 119.30 124.97 3hu2 s MET 344 Ca 0.06 -0.45 -0.01 0.00 -1.71 0.00 0.00 55.69 53.57 3hu2 s MET 344 Cb -0.17 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 33.78 3hu2 s MET 344 CO 0.09 0.66 -0.00 0.00 -0.01 0.00 0.00 175.02 175.77 3hu2 s ALA 345 N -1.14 0.14 0.06 3.03 0.00 -0.16 -0.05 121.76 123.66 3hu2 s ALA 345 Ca 0.21 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.56 3hu2 s ALA 345 Cb -0.12 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3hu2 s ALA 345 CO 0.11 -0.23 -0.19 0.00 0.00 0.00 0.00 175.76 175.46 3hu2 s ALA 346 N -2.10 1.65 0.02 0.00 0.00 -0.84 0.79 121.76 121.27 3hu2 s ALA 346 Ca -0.10 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 3hu2 s ALA 346 Cb -0.05 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.84 3hu2 s ALA 346 CO -0.03 0.35 0.51 -0.08 0.00 0.00 0.00 175.76 176.51 3hu2 s THR 347 N -0.92 0.03 -2.07 0.00 -1.32 -0.25 -0.70 115.64 110.42 3hu2 s THR 347 Ca 0.06 -0.25 0.17 0.00 -1.21 0.00 0.00 61.69 60.46 3hu2 s THR 347 Cb -0.09 -0.93 0.12 0.00 -1.51 0.00 0.00 72.50 70.09 3hu2 s THR 347 CO 0.02 -0.14 1.02 -0.46 -2.21 0.00 0.00 174.62 172.86 3hu2 n ASN 348 N 0.64 2.34 -3.32 8.08 0.23 -1.26 -2.98 115.26 118.99 3hu2 n ASN 348 Ca -0.19 -1.67 -0.26 0.00 -0.53 0.00 0.00 54.58 51.93 3hu2 n ASN 348 Cb 0.59 0.05 -0.08 0.00 -2.08 0.00 0.00 39.78 38.26 3hu2 n ASN 348 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3hu2 n ARG 349 N 0.85 1.61 0.14 -3.83 1.74 -1.26 -4.76 116.66 111.15 3hu2 n ARG 349 Ca 0.10 -3.96 0.04 0.00 -0.77 0.00 0.00 57.85 53.26 3hu2 n ARG 349 Cb 0.42 -1.76 0.45 0.00 -1.02 0.00 0.00 32.46 30.56 3hu2 n ARG 349 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hu2 h PRO 350 N 4.16 0.20 0.00 5.56 0.13 -1.93 -2.09 132.00 138.03 3hu2 h PRO 350 Ca 0.14 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hu2 h PRO 350 Cb 0.77 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3hu2 h PRO 350 CO 0.65 0.28 0.00 0.09 -0.23 0.00 0.00 178.00 178.79 3hu2 n ASN 351 N -4.35 0.00 -0.73 1.44 3.02 -1.26 -2.06 115.26 111.32 3hu2 n ASN 351 Ca -0.01 -0.71 0.08 0.00 -0.03 0.00 0.00 54.58 53.91 3hu2 n ASN 351 Cb 0.21 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.50 3hu2 n ASN 351 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hu2 n SER 352 N -0.99 2.68 -4.80 6.41 3.41 -0.79 -4.95 113.62 114.59 3hu2 n SER 352 Ca 0.16 -1.78 -0.39 0.00 -0.26 0.00 0.00 58.87 56.60 3hu2 n SER 352 Cb 0.08 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 3hu2 n SER 352 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hu2 s ILE 353 N -1.19 4.78 -0.04 -1.33 1.01 -0.87 -2.30 121.20 121.25 3hu2 s ILE 353 Ca 0.24 1.22 -0.38 0.00 0.00 0.00 0.00 60.65 61.73 3hu2 s ILE 353 Cb 0.14 -3.90 -0.16 0.00 0.01 0.00 0.00 42.46 38.55 3hu2 s ILE 353 CO 0.20 0.53 1.47 -0.67 0.00 0.00 0.00 174.94 176.47 3hu2 n ASP 354 N 1.94 1.84 0.25 3.58 -0.08 -0.96 -4.64 116.55 118.48 3hu2 n ASP 354 Ca -0.10 1.11 0.12 0.00 -1.51 0.00 0.00 54.79 54.41 3hu2 n ASP 354 Cb 0.51 -1.16 0.65 0.00 2.34 0.00 0.00 41.12 43.45 3hu2 n ASP 354 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hu2 h PRO 355 N 5.41 0.00 -0.07 -0.67 0.11 -1.95 -2.58 132.00 132.25 3hu2 h PRO 355 Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 3hu2 h PRO 355 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 3hu2 h PRO 355 CO 0.84 0.15 0.06 0.00 -0.21 0.00 0.00 178.00 178.83 3hu2 h ALA 356 N 1.85 1.89 0.00 -0.75 0.00 -1.99 0.20 119.26 120.47 3hu2 h ALA 356 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hu2 h ALA 356 Cb 0.48 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hu2 h ALA 356 CO 0.02 -0.10 -0.24 -0.07 0.00 0.00 0.00 179.25 178.86 3hu2 h LEU 357 N 0.00 0.00 -2.22 0.00 4.07 -1.84 -3.14 115.31 112.18 3hu2 h LEU 357 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3hu2 h LEU 357 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3hu2 h LEU 357 CO -0.00 0.24 0.00 0.54 -1.08 0.00 0.00 178.44 178.14 3hu2 n ARG 358 N -3.28 2.43 -1.76 1.13 1.74 0.04 -1.07 116.66 115.90 3hu2 n ARG 358 Ca 0.01 -2.18 -0.29 0.00 -0.77 0.00 0.00 57.85 54.62 3hu2 n ARG 358 Cb 0.51 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.57 3hu2 n ARG 358 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hu2 s ARG 359 N -1.42 1.42 0.03 5.56 3.00 -1.11 -4.36 118.95 122.08 3hu2 s ARG 359 Ca 0.40 0.10 -0.36 0.00 0.00 0.00 0.00 55.73 55.87 3hu2 s ARG 359 Cb 0.22 -1.89 -0.15 0.00 0.00 0.00 0.00 34.95 33.13 3hu2 s ARG 359 CO 0.31 -1.97 1.53 0.34 0.00 0.00 0.00 175.30 175.51 3hu2 n PHE 360 N -3.57 1.90 0.00 -0.53 7.35 -1.26 -2.01 117.46 119.34 3hu2 n PHE 360 Ca 0.09 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 3hu2 n PHE 360 Cb 0.60 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.98 3hu2 n PHE 360 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hu2 n GLY 361 N 3.23 3.16 0.00 7.13 0.00 -1.26 -4.97 105.19 112.48 3hu2 n GLY 361 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3hu2 n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hu2 n ARG 362 N -1.11 0.00 -2.50 1.61 3.00 -0.85 -4.68 116.66 112.12 3hu2 n ARG 362 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.41 3hu2 n ARG 362 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3hu2 n ARG 362 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3hu2 n PHE 363 N 0.00 4.20 0.89 -1.55 3.72 -0.23 -2.63 117.46 121.86 3hu2 n PHE 363 Ca 0.00 -3.03 0.12 0.00 -0.05 0.00 0.00 57.45 54.49 3hu2 n PHE 363 Cb 0.00 -2.32 0.29 0.00 -0.94 0.00 0.00 39.48 36.50 3hu2 n PHE 363 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3hu2 n ASP 364 N 6.09 2.52 -4.17 4.37 3.85 -1.05 -4.37 116.55 123.79 3hu2 n ASP 364 Ca 0.43 -1.84 -0.26 0.00 -0.71 0.00 0.00 54.79 52.42 3hu2 n ASP 364 Cb 0.42 -0.13 -0.16 0.00 -1.35 0.00 0.00 41.12 39.90 3hu2 n ASP 364 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3hu2 s ARG 365 N -1.74 1.61 -0.10 0.11 1.81 -1.00 -4.99 118.95 114.65 3hu2 s ARG 365 Ca 0.35 -0.66 0.03 0.00 -1.72 0.00 0.00 55.73 53.73 3hu2 s ARG 365 Cb 0.20 -1.50 0.00 0.00 -0.45 0.00 0.00 34.95 33.20 3hu2 s ARG 365 CO 0.30 0.36 -0.22 -1.21 -0.68 0.00 0.00 175.30 173.84 3hu2 s GLU 366 N -0.30 2.87 -0.23 3.54 2.02 -1.26 -0.17 118.70 125.17 3hu2 s GLU 366 Ca 0.04 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 3hu2 s GLU 366 Cb -0.08 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 31.94 3hu2 s GLU 366 CO 0.00 0.12 -0.07 0.08 0.02 0.00 0.00 175.26 175.41 3hu2 s VAL 367 N 0.49 3.05 -0.78 2.63 1.01 0.12 -4.93 120.40 121.98 3hu2 s VAL 367 Ca -0.16 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 3hu2 s VAL 367 Cb -0.17 -2.44 0.10 0.00 0.00 0.00 0.00 36.38 33.87 3hu2 s VAL 367 CO 0.06 0.35 1.04 -0.62 0.00 0.00 0.00 175.10 175.93 3hu2 s ASP 368 N 1.40 6.38 -0.97 3.32 2.15 -1.26 -1.73 116.67 125.96 3hu2 s ASP 368 Ca 0.04 -1.49 -0.20 0.00 0.43 0.00 0.00 52.55 51.33 3hu2 s ASP 368 Cb -0.15 -2.41 0.10 0.00 -0.30 0.00 0.00 42.92 40.17 3hu2 s ASP 368 CO -0.05 -1.26 1.26 -0.63 -0.17 0.00 0.00 175.17 174.31 3hu2 s ILE 369 N 3.42 4.45 0.00 4.11 -1.09 0.45 -4.96 121.20 127.58 3hu2 s ILE 369 Ca 0.27 -1.34 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 3hu2 s ILE 369 Cb -0.12 -4.89 0.00 0.00 -1.58 0.00 0.00 42.46 35.88 3hu2 s ILE 369 CO 0.01 -1.67 0.00 0.61 -1.23 0.00 0.00 174.94 172.66 3hu2 n GLY 370 N 5.92 1.01 3.69 6.18 0.00 -1.26 -4.14 105.19 116.59 3hu2 n GLY 370 Ca 0.28 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3hu2 n GLY 370 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hu2 s ILE 371 N 0.59 3.38 0.32 -0.61 1.01 -1.26 -4.90 121.20 119.73 3hu2 s ILE 371 Ca 0.00 0.79 -0.28 0.00 0.00 0.00 0.00 60.65 61.16 3hu2 s ILE 371 Cb 0.00 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 3hu2 s ILE 371 CO 0.00 -0.00 1.18 -2.16 0.00 0.00 0.00 174.94 173.96 3hu2 s PRO 372 N 2.53 4.42 0.81 2.79 0.04 -1.26 -5.05 135.00 139.28 3hu2 s PRO 372 Ca 0.69 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 63.53 3hu2 s PRO 372 Cb -0.35 -3.04 0.20 0.00 0.04 0.00 0.00 34.50 31.35 3hu2 s PRO 372 CO 0.29 -0.03 0.77 -0.40 0.04 0.00 0.00 177.00 177.67 3hu2 n ASP 373 N 0.82 -1.49 -0.23 6.66 5.75 -1.26 -4.68 116.55 122.12 3hu2 n ASP 373 Ca 0.00 -1.01 0.02 0.00 -0.01 0.00 0.00 54.79 53.79 3hu2 n ASP 373 Cb 0.44 -0.69 0.14 0.00 -1.03 0.00 0.00 41.12 39.98 3hu2 n ASP 373 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hu2 h ALA 374 N -2.41 0.92 -0.46 2.12 0.00 -1.96 -1.64 119.26 115.83 3hu2 h ALA 374 Ca -0.28 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3hu2 h ALA 374 Cb 0.85 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3hu2 h ALA 374 CO 0.19 -0.14 -0.15 1.15 0.00 0.00 0.00 179.25 180.29 3hu2 h THR 375 N 0.49 1.27 0.05 0.00 2.02 -1.94 -2.19 112.91 112.60 3hu2 h THR 375 Ca 0.35 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 66.28 3hu2 h THR 375 Cb 0.44 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3hu2 h THR 375 CO -0.32 0.44 -0.19 1.23 0.37 0.00 0.00 175.52 177.05 3hu2 h GLY 376 N 0.95 -0.30 0.66 2.16 0.00 -1.75 -2.11 103.07 102.69 3hu2 h GLY 376 Ca 0.12 0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.74 3hu2 h GLY 376 CO 0.05 -0.18 0.50 3.21 0.00 0.00 0.00 176.54 180.13 3hu2 h ARG 377 N -0.33 0.87 -0.17 4.80 3.08 -0.97 -0.38 114.38 121.27 3hu2 h ARG 377 Ca 0.04 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3hu2 h ARG 377 Cb 0.38 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3hu2 h ARG 377 CO -0.15 0.57 -0.04 1.25 -1.07 0.00 0.00 179.97 180.54 3hu2 h LEU 378 N 0.90 -0.15 -0.46 3.04 5.85 -1.22 -0.10 115.31 123.17 3hu2 h LEU 378 Ca 0.38 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.20 3hu2 h LEU 378 Cb 0.23 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3hu2 h LEU 378 CO -0.20 -0.05 0.17 -0.33 -0.34 0.00 0.00 178.44 177.70 3hu2 h GLU 379 N 0.01 0.34 -0.65 1.25 5.08 -0.44 -0.04 114.58 120.13 3hu2 h GLU 379 Ca 0.08 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3hu2 h GLU 379 Cb 0.12 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3hu2 h GLU 379 CO -0.17 0.23 0.19 0.82 -1.00 0.00 0.00 179.01 179.07 3hu2 h ILE 380 N 0.35 1.25 -0.06 3.13 2.04 -0.81 -0.79 117.51 122.62 3hu2 h ILE 380 Ca 0.21 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 3hu2 h ILE 380 Cb 0.20 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3hu2 h ILE 380 CO -0.21 0.33 -0.44 -0.07 0.00 0.00 0.00 178.15 177.77 3hu2 h LEU 381 N 0.94 0.14 -0.35 1.44 3.38 -0.59 0.21 115.31 120.47 3hu2 h LEU 381 Ca 0.21 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3hu2 h LEU 381 Cb 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3hu2 h LEU 381 CO -0.00 0.57 -0.22 1.56 0.09 0.00 0.00 178.44 180.44 3hu2 h GLN 382 N 0.11 0.77 -0.47 1.13 4.20 -0.59 -2.53 115.11 117.73 3hu2 h GLN 382 Ca 0.01 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.28 3hu2 h GLN 382 Cb 0.82 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 3hu2 h GLN 382 CO 0.06 0.98 -0.02 0.82 -0.67 0.00 0.00 178.83 180.00 3hu2 h ILE 383 N 0.55 1.26 0.00 2.54 2.04 -0.65 -2.79 117.51 120.47 3hu2 h ILE 383 Ca 0.07 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 3hu2 h ILE 383 Cb 0.77 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3hu2 h ILE 383 CO 0.06 0.38 -0.15 0.45 0.00 0.00 0.00 178.15 178.89 3hu2 h HIS 384 N 0.69 0.00 -0.39 1.37 3.86 -0.60 -3.06 115.15 117.02 3hu2 h HIS 384 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3hu2 h HIS 384 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3hu2 h HIS 384 CO 0.04 0.15 0.00 0.25 0.86 0.00 0.00 177.93 179.23 3hu2 n THR 385 N -3.39 0.75 0.27 2.45 -2.24 -0.96 -4.46 114.28 106.72 3hu2 n THR 385 Ca -0.00 -0.88 0.12 0.00 -2.27 0.00 0.00 64.05 61.02 3hu2 n THR 385 Cb 0.35 0.71 0.78 0.00 -2.10 0.00 0.00 70.33 70.06 3hu2 n THR 385 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hu2 h LYS 386 N 3.06 0.00 -0.27 -0.78 2.10 -1.38 -0.20 116.57 119.10 3hu2 h LYS 386 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hu2 h LYS 386 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 3hu2 h LYS 386 CO 0.00 0.05 0.00 0.09 -2.00 0.00 0.00 179.45 177.59 3hu2 n ASN 387 N -3.98 2.85 -4.83 7.07 3.02 -1.26 -4.98 115.26 113.14 3hu2 n ASN 387 Ca -0.03 -1.84 -0.37 0.00 -0.03 0.00 0.00 54.58 52.31 3hu2 n ASN 387 Cb 0.14 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 3hu2 n ASN 387 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hu2 s MET 388 N -1.16 3.79 -0.48 3.52 -1.94 -0.09 -5.05 119.30 117.89 3hu2 s MET 388 Ca 0.26 0.07 -0.29 0.00 -1.71 0.00 0.00 55.69 54.03 3hu2 s MET 388 Cb 0.15 -3.26 0.02 0.00 2.01 0.00 0.00 34.83 33.75 3hu2 s MET 388 CO 0.21 0.62 1.33 0.15 -0.01 0.00 0.00 175.02 177.33 3hu2 s LYS 389 N -0.67 3.53 0.01 2.03 1.02 -1.26 -4.99 119.74 119.40 3hu2 s LYS 389 Ca 0.17 0.66 0.03 0.00 0.02 0.00 0.00 55.97 56.85 3hu2 s LYS 389 Cb -0.14 -4.03 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 3hu2 s LYS 389 CO 0.06 -1.64 -0.04 -0.51 -0.92 0.00 0.00 175.35 172.30 3hu2 s LEU 390 N 5.35 3.30 0.67 3.17 1.43 -1.26 -0.51 118.68 130.83 3hu2 s LEU 390 Ca 0.54 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 3hu2 s LEU 390 Cb -0.11 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3hu2 s LEU 390 CO 0.30 0.27 1.06 0.00 0.23 0.00 0.00 176.35 178.21 3hu2 s ALA 391 N -1.06 2.70 0.33 4.21 0.00 -0.53 -4.83 121.76 122.58 3hu2 s ALA 391 Ca 0.19 0.15 0.12 0.00 0.00 0.00 0.00 51.96 52.42 3hu2 s ALA 391 Cb -0.11 -3.19 0.99 0.00 0.00 0.00 0.00 23.12 20.81 3hu2 s ALA 391 CO 0.09 -1.12 1.69 0.22 0.00 0.00 0.00 175.76 176.65 3hu2 h ASP 392 N -0.45 0.56 0.33 0.00 1.82 -2.00 -2.85 116.42 113.83 3hu2 h ASP 392 Ca -0.44 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 3hu2 h ASP 392 Cb 1.21 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.32 3hu2 h ASP 392 CO 0.57 -0.04 -0.14 -0.90 -1.61 0.00 0.00 179.24 177.12 3hu2 n ASP 393 N -4.99 0.61 -4.62 2.28 5.75 -1.26 -4.83 116.55 109.50 3hu2 n ASP 393 Ca 0.29 -0.66 -0.43 0.00 -0.01 0.00 0.00 54.79 53.98 3hu2 n ASP 393 Cb 0.88 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.92 3hu2 n ASP 393 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hu2 s VAL 394 N -2.47 3.72 -0.42 2.12 1.01 -1.08 -4.64 120.40 118.64 3hu2 s VAL 394 Ca 0.28 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 3hu2 s VAL 394 Cb 0.20 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.82 3hu2 s VAL 394 CO 0.48 -0.44 0.26 -0.62 0.00 0.00 0.00 175.10 174.78 3hu2 s ASP 395 N 4.54 5.62 0.20 3.32 2.15 -1.26 -4.97 116.67 126.27 3hu2 s ASP 395 Ca 0.70 -1.53 0.06 0.00 0.43 0.00 0.00 52.55 52.21 3hu2 s ASP 395 Cb -0.21 -1.98 0.11 0.00 -0.30 0.00 0.00 42.92 40.54 3hu2 s ASP 395 CO 0.31 -0.54 1.46 -0.07 -0.17 0.00 0.00 175.17 176.16 3hu2 h LEU 396 N 8.39 0.14 -0.67 -1.34 4.07 -1.99 -2.68 115.31 121.24 3hu2 h LEU 396 Ca -0.22 -0.11 0.06 0.00 0.08 0.00 0.00 57.88 57.69 3hu2 h LEU 396 Cb 1.08 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.72 3hu2 h LEU 396 CO 0.76 0.86 0.36 -0.33 -1.08 0.00 0.00 178.44 179.01 3hu2 h GLU 397 N 0.07 0.65 -0.46 1.13 5.08 -1.94 0.41 114.58 119.51 3hu2 h GLU 397 Ca -0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3hu2 h GLU 397 Cb 1.36 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 3hu2 h GLU 397 CO 0.11 0.43 0.23 0.37 -1.00 0.00 0.00 179.01 179.15 3hu2 h GLN 398 N 0.67 0.44 -0.64 2.33 5.75 -1.97 -1.36 115.11 120.32 3hu2 h GLN 398 Ca 0.30 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.71 3hu2 h GLN 398 Cb 0.21 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3hu2 h GLN 398 CO -0.19 0.29 0.15 0.28 -2.65 0.00 0.00 178.83 176.70 3hu2 h VAL 399 N 0.45 1.26 -0.68 2.39 2.07 -0.88 -1.45 116.25 119.41 3hu2 h VAL 399 Ca 0.20 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3hu2 h VAL 399 Cb 0.12 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hu2 h VAL 399 CO -0.15 0.36 0.40 0.00 0.02 0.00 0.00 177.57 178.20 3hu2 h ALA 400 N 1.05 1.42 0.00 1.67 0.00 0.00 -2.54 119.26 120.87 3hu2 h ALA 400 Ca 0.20 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3hu2 h ALA 400 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hu2 h ALA 400 CO 0.00 0.49 -0.63 -0.91 0.00 0.00 0.00 179.25 178.21 3hu2 h ASN 401 N 0.94 0.00 -0.09 0.00 2.35 -0.68 -3.12 115.58 114.98 3hu2 h ASN 401 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3hu2 h ASN 401 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3hu2 h ASN 401 CO -0.04 0.63 0.00 -0.62 -1.65 0.00 0.00 177.43 175.74 3hu2 n GLU 402 N -3.37 1.40 -2.53 0.81 1.02 -0.60 -4.43 120.64 112.94 3hu2 n GLU 402 Ca 0.01 -0.60 -0.28 0.00 -0.02 0.00 0.00 57.16 56.27 3hu2 n GLU 402 Cb 0.74 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.80 3hu2 n GLU 402 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hu2 n THR 403 N -0.18 2.55 -0.23 2.62 -2.24 -1.14 -4.94 114.28 110.72 3hu2 n THR 403 Ca 0.15 -5.02 0.03 0.00 -2.27 0.00 0.00 64.05 56.94 3hu2 n THR 403 Cb 0.21 -1.29 0.12 0.00 -2.10 0.00 0.00 70.33 67.27 3hu2 n THR 403 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3hu2 h HIS 404 N 2.67 -0.09 -0.21 4.78 6.17 -1.81 -1.97 115.15 124.68 3hu2 h HIS 404 Ca 0.29 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.42 3hu2 h HIS 404 Cb 0.82 0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.90 3hu2 h HIS 404 CO 0.84 -0.22 0.00 0.41 0.71 0.00 0.00 177.93 179.67 3hu2 n GLY 405 N -1.40 0.37 3.73 5.26 0.00 -1.26 -4.95 105.19 106.93 3hu2 n GLY 405 Ca 0.11 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 3hu2 n GLY 405 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hu2 s HIS 406 N -1.72 3.61 0.52 1.61 4.02 -0.74 -4.79 115.29 117.78 3hu2 s HIS 406 Ca 0.30 1.21 0.06 0.00 1.02 0.00 0.00 55.06 57.64 3hu2 s HIS 406 Cb 0.16 -2.73 0.04 0.00 -1.02 0.00 0.00 32.58 29.04 3hu2 s HIS 406 CO 0.24 0.17 0.71 0.14 1.02 0.00 0.00 174.74 177.02 3hu2 s VAL 407 N 0.48 2.66 0.20 -0.90 -7.23 -1.26 -4.44 120.40 109.91 3hu2 s VAL 407 Ca 0.35 -0.87 -0.12 0.00 -1.81 0.00 0.00 61.98 59.53 3hu2 s VAL 407 Cb -0.18 -2.79 0.14 0.00 0.56 0.00 0.00 36.38 34.11 3hu2 s VAL 407 CO 0.17 0.00 1.69 1.23 -0.31 0.00 0.00 175.10 177.88 3hu2 h GLY 408 N 0.27 0.61 0.63 2.32 0.00 -1.77 -2.03 103.07 103.10 3hu2 h GLY 408 Ca -0.38 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.06 3hu2 h GLY 408 CO 0.46 -0.13 0.56 0.00 0.00 0.00 0.00 176.54 177.43 3hu2 h ALA 409 N 1.46 1.29 -0.76 3.60 0.00 -1.60 0.66 119.26 123.91 3hu2 h ALA 409 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3hu2 h ALA 409 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3hu2 h ALA 409 CO -0.41 0.26 0.30 -0.44 0.00 0.00 0.00 179.25 178.96 3hu2 h ASP 410 N 0.98 1.04 0.17 0.00 3.32 -1.66 -2.34 116.42 117.93 3hu2 h ASP 410 Ca 0.42 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 3hu2 h ASP 410 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3hu2 h ASP 410 CO -0.21 0.93 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.56 3hu2 h LEU 411 N 1.10 0.49 -0.37 1.55 3.38 -0.61 0.18 115.31 121.03 3hu2 h LEU 411 Ca 0.25 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hu2 h LEU 411 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3hu2 h LEU 411 CO -0.02 0.98 0.10 0.00 0.09 0.00 0.00 178.44 179.59 3hu2 h ALA 412 N 1.02 0.48 -0.76 1.53 0.00 -0.83 -1.11 119.26 119.60 3hu2 h ALA 412 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3hu2 h ALA 412 Cb 1.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3hu2 h ALA 412 CO 0.11 0.14 0.27 0.00 0.00 0.00 0.00 179.25 179.77 3hu2 h ALA 413 N 0.94 1.03 -0.23 0.00 0.00 -1.16 0.78 119.26 120.62 3hu2 h ALA 413 Ca 0.12 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hu2 h ALA 413 Cb 0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hu2 h ALA 413 CO -0.00 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.24 3hu2 h LEU 414 N 1.12 0.08 -1.27 0.00 5.85 -0.52 0.45 115.31 121.02 3hu2 h LEU 414 Ca 0.25 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 3hu2 h LEU 414 Cb 0.27 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3hu2 h LEU 414 CO -0.01 0.07 0.17 0.00 -0.34 0.00 0.00 178.44 178.33 3hu2 h SER 416 N 0.66 1.02 -0.13 0.00 0.87 -0.33 -2.43 113.55 113.21 3hu2 h SER 416 Ca 0.16 -0.36 -0.16 0.00 -1.23 0.00 0.00 61.79 60.19 3hu2 h SER 416 Cb 0.16 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3hu2 h SER 416 CO -0.01 1.16 -0.56 -0.33 -0.53 0.00 0.00 176.83 176.56 3hu2 h GLU 417 N 0.88 0.61 -0.94 2.24 4.39 -0.56 -2.14 114.58 119.07 3hu2 h GLU 417 Ca 0.13 -0.48 0.08 0.00 0.34 0.00 0.00 59.36 59.42 3hu2 h GLU 417 Cb 0.74 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.41 3hu2 h GLU 417 CO 0.06 1.10 0.60 0.00 -1.16 0.00 0.00 179.01 179.61 3hu2 h ALA 418 N 0.51 1.52 -0.60 3.43 0.00 -1.17 -0.31 119.26 122.65 3hu2 h ALA 418 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3hu2 h ALA 418 Cb 1.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3hu2 h ALA 418 CO 0.12 0.31 0.03 0.00 0.00 0.00 0.00 179.25 179.71 3hu2 h ALA 419 N 1.51 0.81 -0.20 0.00 0.00 -1.31 -2.28 119.26 117.79 3hu2 h ALA 419 Ca 0.42 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3hu2 h ALA 419 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hu2 h ALA 419 CO -0.17 0.62 -0.31 1.25 0.00 0.00 0.00 179.25 180.64 3hu2 h LEU 420 N 0.94 0.41 -0.63 0.00 6.46 -0.65 -1.54 115.31 120.30 3hu2 h LEU 420 Ca 0.17 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 3hu2 h LEU 420 Cb 0.52 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3hu2 h LEU 420 CO 0.03 0.71 0.13 -0.61 -0.62 0.00 0.00 178.44 178.07 3hu2 h GLN 421 N 0.35 1.03 -0.21 1.25 5.75 -0.89 0.17 115.11 122.57 3hu2 h GLN 421 Ca 0.04 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 3hu2 h GLN 421 Cb 0.73 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3hu2 h GLN 421 CO 0.06 0.95 0.04 0.00 -2.65 0.00 0.00 178.83 177.23 3hu2 h ALA 422 N 1.04 1.69 -0.26 3.38 0.00 -0.82 -0.35 119.26 123.95 3hu2 h ALA 422 Ca 0.20 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3hu2 h ALA 422 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hu2 h ALA 422 CO 0.01 0.24 -0.58 0.82 0.00 0.00 0.00 179.25 179.74 3hu2 h ILE 423 N 0.29 1.28 -0.44 0.00 2.04 -0.79 -2.97 117.51 116.92 3hu2 h ILE 423 Ca 0.07 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 3hu2 h ILE 423 Cb 0.14 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3hu2 h ILE 423 CO -0.00 0.57 0.19 0.03 0.00 0.00 0.00 178.15 178.94 3hu2 h ARG 424 N 0.62 0.61 0.00 2.37 3.08 0.18 -1.88 114.38 119.36 3hu2 h ARG 424 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3hu2 h ARG 424 Cb 1.20 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3hu2 h ARG 424 CO 0.13 0.50 -0.32 0.87 -1.07 0.00 0.00 179.97 180.07 3hu2 h LYS 425 N 0.61 0.00 -0.47 0.04 1.57 -1.04 -2.96 116.57 114.32 3hu2 h LYS 425 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3hu2 h LYS 425 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3hu2 h LYS 425 CO -0.02 0.32 0.00 1.17 -0.57 0.00 0.00 179.45 180.36 3hu2 n LYS 426 N -3.82 2.34 0.25 3.15 3.00 -0.75 -4.52 118.16 117.82 3hu2 n LYS 426 Ca -0.01 -2.06 0.17 0.00 -0.00 0.00 0.00 58.31 56.41 3hu2 n LYS 426 Cb 0.40 -1.48 0.85 0.00 0.00 0.00 0.00 35.03 34.81 3hu2 n LYS 426 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 3hu2 h MET 427 N 3.67 0.00 -0.29 1.64 2.86 -1.28 -2.37 114.93 119.16 3hu2 h MET 427 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 3hu2 h MET 427 Cb 0.82 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 3hu2 h MET 427 CO 0.00 0.00 -0.30 -0.44 1.06 0.00 0.00 176.91 177.23 3hu2 h ASP 428 N 0.00 0.77 -0.22 1.22 3.32 -1.84 -3.24 116.42 116.44 3hu2 h ASP 428 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3hu2 h ASP 428 Cb 0.14 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3hu2 h ASP 428 CO 0.00 1.09 0.00 0.18 -1.72 0.00 0.00 179.24 178.79 3hu2 n LEU 429 N -4.25 2.02 -4.39 1.55 4.32 -0.91 -4.82 117.00 110.53 3hu2 n LEU 429 Ca -0.04 -0.86 -0.31 0.00 -0.02 0.00 0.00 56.01 54.79 3hu2 n LEU 429 Cb 0.48 -0.14 -0.14 0.00 -1.62 0.00 0.00 43.42 42.00 3hu2 n LEU 429 CO 0.45 0.43 -0.53 -0.63 -1.22 0.00 0.00 177.39 175.89 3hu2 s ILE 430 N -1.72 2.42 -0.00 -0.08 1.01 -1.12 -4.74 121.20 116.96 3hu2 s ILE 430 Ca 0.33 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3hu2 s ILE 430 Cb 0.18 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.70 3hu2 s ILE 430 CO 0.27 0.42 -0.01 -0.62 0.00 0.00 0.00 174.94 175.00 3hu2 s ASP 431 N -1.13 0.13 0.49 3.58 2.15 -1.26 -4.83 116.67 115.80 3hu2 s ASP 431 Ca 0.12 -0.02 0.16 0.00 0.43 0.00 0.00 52.55 53.25 3hu2 s ASP 431 Cb -0.10 -0.02 1.19 0.00 -0.30 0.00 0.00 42.92 43.68 3hu2 s ASP 431 CO 0.02 0.00 2.09 0.25 -0.17 0.00 0.00 175.17 177.36 3hu2 h LEU 432 N 6.23 0.00 -0.69 -1.34 5.85 -2.01 -2.73 115.31 120.63 3hu2 h LEU 432 Ca -0.27 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3hu2 h LEU 432 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3hu2 h LEU 432 CO 0.51 0.08 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.33 3hu2 h GLU 433 N 0.00 0.00 -7.12 1.25 4.39 -2.02 -3.46 114.58 107.62 3hu2 h GLU 433 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 3hu2 h GLU 433 Cb 0.14 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.91 3hu2 h GLU 433 CO 0.01 0.02 0.45 -0.51 -1.16 0.00 0.00 179.01 177.83 3hu2 s ASP 434 N -5.99 4.97 -0.03 1.42 1.01 -1.03 -4.99 116.67 112.03 3hu2 s ASP 434 Ca 0.04 2.36 -0.25 0.00 0.71 0.00 0.00 52.55 55.42 3hu2 s ASP 434 Cb 0.07 -2.59 -0.20 0.00 1.01 0.00 0.00 42.92 41.20 3hu2 s ASP 434 CO 0.62 -1.74 1.19 -0.08 0.21 0.00 0.00 175.17 175.36 3hu2 h GLU 435 N 0.58 0.10 -4.40 8.23 4.81 -1.88 -3.47 114.58 118.55 3hu2 h GLU 435 Ca -0.50 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 58.50 3hu2 h GLU 435 Cb 1.30 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.54 3hu2 h GLU 435 CO 0.54 0.66 -0.68 0.95 -0.73 0.00 0.00 179.01 179.75 3hu2 s THR 436 N -3.86 0.37 0.11 0.32 -4.23 -1.26 -5.16 115.64 101.93 3hu2 s THR 436 Ca -0.16 -1.86 -0.28 0.00 -1.18 0.00 0.00 61.69 58.21 3hu2 s THR 436 Cb 0.02 -1.64 -0.06 0.00 1.34 0.00 0.00 72.50 72.15 3hu2 s THR 436 CO 0.70 -0.89 0.89 -0.63 -0.54 0.00 0.00 174.62 174.15 3hu2 s ILE 437 N -3.83 4.50 0.18 2.99 1.01 -1.26 -5.01 121.20 119.78 3hu2 s ILE 437 Ca 0.11 1.91 -0.32 0.00 0.00 0.00 0.00 60.65 62.35 3hu2 s ILE 437 Cb 0.07 -4.25 -0.16 0.00 0.01 0.00 0.00 42.46 38.14 3hu2 s ILE 437 CO -0.07 0.37 1.11 -0.67 0.00 0.00 0.00 174.94 175.69 3hu2 n ASP 438 N 2.53 1.16 0.02 3.58 -0.08 -1.26 -4.90 116.55 117.60 3hu2 n ASP 438 Ca -0.00 1.15 -0.10 0.00 -1.51 0.00 0.00 54.79 54.32 3hu2 n ASP 438 Cb 0.49 -1.20 -0.04 0.00 2.34 0.00 0.00 41.12 42.71 3hu2 n ASP 438 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hu2 h ALA 439 N 3.10 -0.06 -0.87 -1.67 0.00 -1.99 -2.83 119.26 114.93 3hu2 h ALA 439 Ca -0.42 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.53 3hu2 h ALA 439 Cb 1.35 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 3hu2 h ALA 439 CO 0.68 -0.58 0.58 1.49 0.00 0.00 0.00 179.25 181.42 3hu2 h GLU 440 N -0.15 1.13 -0.96 0.00 4.57 -2.01 -2.83 114.58 114.32 3hu2 h GLU 440 Ca 0.06 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3hu2 h GLU 440 Cb 0.24 -0.25 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 3hu2 h GLU 440 CO -0.16 0.75 0.63 0.28 -1.18 0.00 0.00 179.01 179.33 3hu2 h VAL 441 N 1.16 1.17 -0.56 0.32 2.07 -1.89 -2.44 116.25 116.08 3hu2 h VAL 441 Ca 0.33 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3hu2 h VAL 441 Cb -0.10 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.49 3hu2 h VAL 441 CO -0.08 0.22 0.17 -0.03 0.02 0.00 0.00 177.57 177.87 3hu2 h MET 442 N 1.22 0.84 0.16 1.57 1.85 -1.32 -3.19 114.93 116.06 3hu2 h MET 442 Ca 0.38 -0.16 -0.30 0.00 -0.61 0.00 0.00 59.70 59.01 3hu2 h MET 442 Cb -0.01 -0.13 0.03 0.00 0.43 0.00 0.00 31.60 31.92 3hu2 h MET 442 CO -0.12 0.73 -1.30 -0.91 -0.40 0.00 0.00 176.91 174.91 3hu2 h ASN 443 N 0.82 0.79 0.50 1.39 -0.26 -1.44 -3.24 115.58 114.14 3hu2 h ASN 443 Ca 0.19 -0.77 0.00 0.00 -0.56 0.00 0.00 56.30 55.15 3hu2 h ASN 443 Cb 0.25 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3hu2 h ASN 443 CO -0.01 1.59 0.00 -1.54 -1.06 0.00 0.00 177.43 176.41 3hu2 n SER 444 N -3.73 0.09 -4.57 5.81 3.41 -1.08 -4.74 113.62 108.82 3hu2 n SER 444 Ca -0.14 0.52 -0.39 0.00 -0.26 0.00 0.00 58.87 58.61 3hu2 n SER 444 Cb 1.02 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3hu2 n SER 444 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hu2 s LEU 445 N -3.21 3.41 -0.03 1.04 1.43 -1.21 -4.94 118.68 115.17 3hu2 s LEU 445 Ca 0.06 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.40 3hu2 s LEU 445 Cb 0.09 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.46 3hu2 s LEU 445 CO 0.27 -2.48 -0.07 0.00 0.23 0.00 0.00 176.35 174.29 3hu2 s ALA 446 N 10.37 0.74 -0.42 4.21 0.00 -1.26 -4.77 121.76 130.63 3hu2 s ALA 446 Ca 0.93 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 3hu2 s ALA 446 Cb -0.21 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3hu2 s ALA 446 CO 0.28 0.08 0.98 0.08 0.00 0.00 0.00 175.76 177.18 3hu2 s VAL 447 N 0.46 4.46 0.73 0.00 1.01 0.33 -4.81 120.40 122.58 3hu2 s VAL 447 Ca -0.07 1.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 3hu2 s VAL 447 Cb -0.10 -4.44 0.05 0.00 0.00 0.00 0.00 36.38 31.89 3hu2 s VAL 447 CO 0.00 -0.75 1.10 0.42 0.00 0.00 0.00 175.10 175.87 3hu2 s THR 448 N 3.80 2.70 0.28 3.92 -4.23 -1.26 -1.45 115.64 119.40 3hu2 s THR 448 Ca 0.40 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 3hu2 s THR 448 Cb -0.10 -3.20 0.09 0.00 1.34 0.00 0.00 72.50 70.63 3hu2 s THR 448 CO 0.24 -0.25 1.75 -0.03 -0.54 0.00 0.00 174.62 175.79 3hu2 h MET 449 N -0.76 0.61 -0.25 3.99 4.05 -1.92 -2.80 114.93 117.86 3hu2 h MET 449 Ca -0.45 -0.19 0.02 0.00 -0.28 0.00 0.00 59.70 58.79 3hu2 h MET 449 Cb 1.30 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.03 3hu2 h MET 449 CO 0.64 0.73 0.17 0.22 0.23 0.00 0.00 176.91 178.89 3hu2 h ASP 450 N 0.56 0.23 -0.14 1.39 3.58 -1.94 -0.05 116.42 120.05 3hu2 h ASP 450 Ca 0.10 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3hu2 h ASP 450 Cb 0.55 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3hu2 h ASP 450 CO 0.03 0.16 0.06 0.44 -2.88 0.00 0.00 179.24 177.06 3hu2 h ASP 451 N 0.27 0.19 -0.90 2.28 3.32 -1.82 -2.45 116.42 117.31 3hu2 h ASP 451 Ca 0.10 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hu2 h ASP 451 Cb 0.07 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3hu2 h ASP 451 CO -0.02 0.30 0.58 -0.26 -1.72 0.00 0.00 179.24 178.12 3hu2 h PHE 452 N 0.08 1.15 0.00 4.55 -1.00 -1.05 -0.54 116.94 120.13 3hu2 h PHE 452 Ca 0.05 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.80 3hu2 h PHE 452 Cb 0.16 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 3hu2 h PHE 452 CO -0.02 0.74 -0.23 0.00 -1.61 0.00 0.00 178.31 177.19 3hu2 h ARG 453 N 1.23 0.00 -0.16 1.51 3.08 -1.04 0.37 114.38 119.37 3hu2 h ARG 453 Ca 0.33 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.22 3hu2 h ARG 453 Cb -0.11 0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.94 3hu2 h ARG 453 CO -0.07 0.23 -0.53 2.35 -1.07 0.00 0.00 179.97 180.88 3hu2 h TRP 454 N 0.00 0.84 -0.77 3.04 7.01 -0.71 -2.37 115.95 123.00 3hu2 h TRP 454 Ca -0.00 -0.34 -0.05 0.00 2.11 0.00 0.00 58.89 60.60 3hu2 h TRP 454 Cb 0.52 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 3hu2 h TRP 454 CO 0.00 1.13 0.28 0.00 -2.79 0.00 0.00 178.44 177.06 3hu2 h ALA 455 N 0.55 1.05 -0.51 2.65 0.00 -0.23 -2.60 119.26 120.17 3hu2 h ALA 455 Ca -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hu2 h ALA 455 Cb 1.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hu2 h ALA 455 CO 0.11 0.66 0.25 -0.07 0.00 0.00 0.00 179.25 180.21 3hu2 h LEU 456 N 1.12 0.65 -1.76 0.00 3.38 -0.34 -1.68 115.31 116.69 3hu2 h LEU 456 Ca 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3hu2 h LEU 456 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hu2 h LEU 456 CO -0.02 0.58 0.04 0.77 0.09 0.00 0.00 178.44 179.91 3hu2 h SER 457 N 0.67 0.17 0.43 -0.43 4.64 -1.05 -1.97 113.55 116.02 3hu2 h SER 457 Ca 0.18 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3hu2 h SER 457 Cb 0.10 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hu2 h SER 457 CO -0.02 0.18 -0.64 0.00 -0.87 0.00 0.00 176.83 175.47 3hu2 n GLN 458 N -4.46 0.05 -1.51 4.77 1.13 -1.02 -5.01 117.38 111.32 3hu2 n GLN 458 Ca -0.01 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.72 3hu2 n GLN 458 Cb 0.12 -1.52 0.08 0.00 0.11 0.00 0.00 30.24 29.03 3hu2 n GLN 458 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3hu2 s SER 459 N -3.17 4.50 0.02 1.08 0.15 -0.66 -5.07 113.70 110.54 3hu2 s SER 459 Ca 0.09 2.19 0.02 0.00 0.70 0.00 0.00 55.95 58.95 3hu2 s SER 459 Cb 0.17 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 3hu2 s SER 459 CO 0.74 -2.05 -0.07 0.20 1.20 0.00 0.00 173.24 173.26 3hu2 s ASN 460 N -2.33 0.82 0.91 5.45 0.02 -1.26 -5.06 114.94 113.49 3hu2 s ASN 460 Ca 0.70 -0.32 -0.14 0.00 -1.02 0.00 0.00 52.86 52.08 3hu2 s ASN 460 Cb -0.25 -0.03 0.16 0.00 0.02 0.00 0.00 41.25 41.15 3hu2 s ASN 460 CO 0.45 -0.05 1.26 -2.16 0.02 0.00 0.00 177.10 176.62 3hu2 s PRO 461 N -0.83 1.11 -1.46 -0.60 0.04 -1.26 -4.93 135.00 127.08 3hu2 s PRO 461 Ca -0.03 -0.19 -0.14 0.00 0.04 0.00 0.00 61.00 60.68 3hu2 s PRO 461 Cb -0.06 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.64 3hu2 s PRO 461 CO 0.00 -2.13 2.23 -1.13 0.04 0.00 0.00 177.00 176.01 3hu2 n SER 462 N -3.62 4.05 0.00 6.66 3.41 -1.26 -5.14 113.62 117.72 3hu2 n SER 462 Ca 0.12 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 3hu2 n SER 462 Cb 0.60 -1.65 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 3hu2 n SER 462 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88