#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hu1 h SER 13 N 0.00 0.64 0.00 1.45 4.64 -2.05 -3.33 113.55 114.89 3hu1 h SER 13 Ca 0.00 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 3hu1 h SER 13 Cb 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 3hu1 h SER 13 CO 0.00 1.52 0.00 1.07 -0.87 0.00 0.00 176.83 178.55 3hu1 n THR 14 N -3.64 0.00 -0.29 2.95 5.66 -1.26 -4.17 114.28 113.53 3hu1 n THR 14 Ca -0.12 0.00 0.26 0.00 -3.05 0.00 0.00 64.05 61.14 3hu1 n THR 14 Cb 1.05 -0.72 0.59 0.00 -1.55 0.00 0.00 70.33 69.71 3hu1 n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hu1 h ALA 15 N 2.18 2.51 -0.13 1.79 0.00 -2.00 -2.06 119.26 121.55 3hu1 h ALA 15 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hu1 h ALA 15 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hu1 h ALA 15 CO 0.00 -0.86 -0.27 0.97 0.00 0.00 0.00 179.25 179.08 3hu1 h ILE 16 N 0.25 1.25 0.00 0.00 2.10 -1.92 -3.07 117.51 116.12 3hu1 h ILE 16 Ca 0.55 -1.17 -0.05 0.00 1.08 0.00 0.00 64.86 65.27 3hu1 h ILE 16 Cb 1.66 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 38.84 3hu1 h ILE 16 CO -0.18 0.35 -0.23 -0.07 -1.08 0.00 0.00 178.15 176.94 3hu1 h LEU 17 N 0.22 0.00 -9.72 2.19 3.38 -1.71 -3.46 115.31 106.21 3hu1 h LEU 17 Ca 0.03 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.44 3hu1 h LEU 17 Cb 0.60 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.44 3hu1 h LEU 17 CO 0.04 0.23 0.72 1.17 0.09 0.00 0.00 178.44 180.69 3hu1 n LYS 18 N -3.30 2.36 -0.08 1.13 4.81 -1.16 -4.96 118.16 116.97 3hu1 n LYS 18 Ca 0.01 0.84 -0.15 0.00 -0.87 0.00 0.00 58.31 58.14 3hu1 n LYS 18 Cb 0.49 -2.54 -0.04 0.00 0.02 0.00 0.00 35.03 32.97 3hu1 n LYS 18 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3hu1 h GLN 19 N 4.09 0.88 -3.72 1.64 7.50 -1.90 -3.50 115.11 120.09 3hu1 h GLN 19 Ca -0.46 -0.55 0.00 0.00 0.50 0.00 0.00 58.65 58.14 3hu1 h GLN 19 Cb 1.25 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.84 3hu1 h GLN 19 CO 0.74 1.18 -0.84 1.63 -1.50 0.00 0.00 178.83 180.04 3hu1 n LYS 20 N -4.01 -4.71 -2.66 1.46 5.02 -1.26 -4.94 118.16 107.06 3hu1 n LYS 20 Ca -0.04 3.39 -0.42 0.00 -2.02 0.00 0.00 58.31 59.22 3hu1 n LYS 20 Cb 0.62 -3.69 -0.03 0.00 -0.02 0.00 0.00 35.03 31.92 3hu1 n LYS 20 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hu1 s ASN 21 N -1.42 7.31 0.11 4.39 0.01 -1.26 -5.00 114.94 119.07 3hu1 s ASN 21 Ca 0.00 1.70 0.05 0.00 -0.71 0.00 0.00 52.86 53.90 3hu1 s ASN 21 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 3hu1 s ASN 21 CO 0.00 -0.32 -0.13 -0.13 -1.51 0.00 0.00 177.10 175.01 3hu1 s ARG 22 N 1.15 0.95 0.32 -0.60 1.81 -1.26 -5.04 118.95 116.27 3hu1 s ARG 22 Ca 0.53 -1.17 0.09 0.00 -1.72 0.00 0.00 55.73 53.46 3hu1 s ARG 22 Cb -0.22 -0.81 0.92 0.00 -0.45 0.00 0.00 34.95 34.39 3hu1 s ARG 22 CO 0.27 0.15 1.64 -1.00 -0.68 0.00 0.00 175.30 175.68 3hu1 h PRO 23 N 3.68 0.21 -0.58 3.54 0.13 -2.00 -2.62 132.00 134.35 3hu1 h PRO 23 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3hu1 h PRO 23 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3hu1 h PRO 23 CO 0.49 0.14 0.00 0.27 -0.23 0.00 0.00 178.00 178.67 3hu1 n ASN 24 N -5.19 3.59 -4.41 1.44 6.94 -1.26 -4.82 115.26 111.54 3hu1 n ASN 24 Ca 0.27 -1.99 -0.44 0.00 -0.02 0.00 0.00 54.58 52.40 3hu1 n ASN 24 Cb 0.86 -0.38 -0.06 0.00 -2.36 0.00 0.00 39.78 37.84 3hu1 n ASN 24 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3hu1 s ARG 25 N -1.24 3.08 0.05 -3.83 3.52 -0.99 -2.03 118.95 117.52 3hu1 s ARG 25 Ca 0.44 -1.10 0.08 0.00 -0.13 0.00 0.00 55.73 55.03 3hu1 s ARG 25 Cb 0.24 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.44 3hu1 s ARG 25 CO 0.32 -1.29 -0.24 -0.51 -0.81 0.00 0.00 175.30 172.77 3hu1 s LEU 26 N 2.48 2.19 0.12 -0.88 1.43 -0.71 -4.68 118.68 118.62 3hu1 s LEU 26 Ca 0.12 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 3hu1 s LEU 26 Cb -0.22 -1.12 -0.07 0.00 0.03 0.00 0.00 46.19 44.82 3hu1 s LEU 26 CO 0.09 0.20 0.87 -0.63 0.23 0.00 0.00 176.35 177.11 3hu1 s ILE 27 N -0.84 4.48 -0.10 -0.59 1.01 -1.00 -1.00 121.20 123.16 3hu1 s ILE 27 Ca 0.10 1.89 -0.29 0.00 0.00 0.00 0.00 60.65 62.35 3hu1 s ILE 27 Cb -0.09 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3hu1 s ILE 27 CO 0.02 0.39 0.96 0.68 0.00 0.00 0.00 174.94 176.99 3hu1 s VAL 28 N -0.37 4.82 0.24 2.92 -7.23 -0.60 -0.10 120.40 120.08 3hu1 s VAL 28 Ca 0.42 1.95 0.11 0.00 -1.81 0.00 0.00 61.98 62.65 3hu1 s VAL 28 Cb -0.23 -4.27 -0.05 0.00 0.56 0.00 0.00 36.38 32.39 3hu1 s VAL 28 CO 0.28 0.04 -0.17 -0.62 -0.31 0.00 0.00 175.10 174.31 3hu1 s ASP 29 N 1.08 3.75 0.44 4.85 3.68 0.18 -1.54 116.67 129.11 3hu1 s ASP 29 Ca 0.46 -0.88 -0.25 0.00 2.13 0.00 0.00 52.55 54.01 3hu1 s ASP 29 Cb -0.18 -0.41 -0.08 0.00 -1.45 0.00 0.00 42.92 40.80 3hu1 s ASP 29 CO 0.18 0.07 1.33 -0.70 0.13 0.00 0.00 175.17 176.18 3hu1 s GLU 30 N -3.21 3.80 0.32 4.34 2.56 -1.26 -2.11 118.70 123.13 3hu1 s GLU 30 Ca 0.27 2.21 -0.25 0.00 0.00 0.00 0.00 54.97 57.20 3hu1 s GLU 30 Cb -0.06 -2.66 -0.10 0.00 2.00 0.00 0.00 34.13 33.31 3hu1 s GLU 30 CO 0.14 -0.65 0.93 0.00 -0.56 0.00 0.00 175.26 175.12 3hu1 s ALA 31 N -1.27 3.21 -0.10 6.30 0.00 -1.21 -4.50 121.76 124.19 3hu1 s ALA 31 Ca 0.60 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 3hu1 s ALA 31 Cb -0.39 -3.15 -0.27 0.00 0.00 0.00 0.00 23.12 19.30 3hu1 s ALA 31 CO 0.50 0.18 0.48 -0.84 0.00 0.00 0.00 175.76 176.09 3hu1 h ILE 32 N 2.57 0.81 -3.60 0.00 3.07 -1.94 -3.45 117.51 114.96 3hu1 h ILE 32 Ca -0.47 -2.39 -0.61 0.00 1.55 0.00 0.00 64.86 62.94 3hu1 h ILE 32 Cb 1.19 2.61 -0.11 0.00 -0.27 0.00 0.00 36.82 40.24 3hu1 h ILE 32 CO 0.65 0.82 0.55 0.21 -1.05 0.00 0.00 178.15 179.33 3hu1 s ASN 33 N -7.11 6.47 -0.18 2.16 3.84 -1.26 -4.94 114.94 113.92 3hu1 s ASN 33 Ca -0.20 0.03 0.08 0.00 0.21 0.00 0.00 52.86 52.98 3hu1 s ASN 33 Cb 0.06 -2.44 0.52 0.00 -0.55 0.00 0.00 41.25 38.84 3hu1 s ASN 33 CO 0.79 -1.06 1.36 -0.62 -2.79 0.00 0.00 177.10 174.78 3hu1 n GLU 34 N 7.16 3.30 -2.68 0.43 1.02 -1.26 -4.69 120.64 123.92 3hu1 n GLU 34 Ca 0.05 -2.05 -0.39 0.00 -0.02 0.00 0.00 57.16 54.75 3hu1 n GLU 34 Cb 0.48 -1.97 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 3hu1 n GLU 34 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hu1 s ASP 35 N -0.50 7.44 0.57 1.62 2.15 -1.26 -4.95 116.67 121.73 3hu1 s ASP 35 Ca 0.36 2.01 0.32 0.00 0.43 0.00 0.00 52.55 55.67 3hu1 s ASP 35 Cb 0.28 -2.61 1.74 0.00 -0.30 0.00 0.00 42.92 42.03 3hu1 s ASP 35 CO 0.10 -0.00 2.17 0.78 -0.17 0.00 0.00 175.17 178.05 3hu1 h ASN 36 N 3.76 0.00 -0.07 -0.34 2.35 -1.94 -2.86 115.58 116.49 3hu1 h ASN 36 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3hu1 h ASN 36 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3hu1 h ASN 36 CO 0.67 0.05 0.00 -1.20 -1.65 0.00 0.00 177.43 175.30 3hu1 n SER 37 N -3.55 2.30 -4.37 5.81 7.64 -1.26 -4.71 113.62 115.47 3hu1 n SER 37 Ca -0.02 -1.77 -0.33 0.00 1.01 0.00 0.00 58.87 57.77 3hu1 n SER 37 Cb 0.17 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.19 3hu1 n SER 37 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hu1 s VAL 38 N -1.94 2.89 0.03 0.44 0.11 -1.08 -0.13 120.40 120.71 3hu1 s VAL 38 Ca 0.33 -0.74 0.08 0.00 -2.93 0.00 0.00 61.98 58.72 3hu1 s VAL 38 Cb 0.20 -2.17 -0.02 0.00 -1.53 0.00 0.00 36.38 32.86 3hu1 s VAL 38 CO 0.31 0.55 -0.23 0.68 -3.33 0.00 0.00 175.10 173.07 3hu1 s VAL 39 N 0.06 1.89 -0.08 2.04 -7.23 -0.93 -4.63 120.40 111.51 3hu1 s VAL 39 Ca -0.06 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 3hu1 s VAL 39 Cb -0.15 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3hu1 s VAL 39 CO 0.05 0.35 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.62 3hu1 s SER 40 N -1.02 4.09 0.08 4.85 0.01 -0.65 -1.49 113.70 119.57 3hu1 s SER 40 Ca 0.09 -0.22 0.04 0.00 1.31 0.00 0.00 55.95 57.17 3hu1 s SER 40 Cb -0.09 -1.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.96 3hu1 s SER 40 CO 0.01 0.28 -0.10 -0.76 0.41 0.00 0.00 173.24 173.08 3hu1 s LEU 41 N -0.36 2.35 0.55 2.44 1.43 -0.75 -1.27 118.68 123.08 3hu1 s LEU 41 Ca 0.04 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.21 3hu1 s LEU 41 Cb -0.12 -0.30 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 3hu1 s LEU 41 CO 0.02 -0.23 1.18 -0.94 0.23 0.00 0.00 176.35 176.62 3hu1 s SER 42 N -2.15 5.52 0.24 2.29 1.04 -1.24 -0.13 113.70 119.27 3hu1 s SER 42 Ca 0.01 2.32 -0.06 0.00 0.48 0.00 0.00 55.95 58.70 3hu1 s SER 42 Cb -0.05 -2.60 0.25 0.00 0.10 0.00 0.00 66.02 63.72 3hu1 s SER 42 CO 0.00 -1.36 1.88 -0.61 0.98 0.00 0.00 173.24 174.13 3hu1 h GLN 43 N 1.20 1.24 -0.34 4.02 5.75 -1.91 -2.73 115.11 122.34 3hu1 h GLN 43 Ca -0.50 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 57.87 3hu1 h GLN 43 Cb 1.28 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 3hu1 h GLN 43 CO 0.57 0.89 0.20 -1.35 -2.65 0.00 0.00 178.83 176.49 3hu1 h PRO 44 N 1.26 0.46 -0.07 -2.39 0.11 -1.96 -2.90 132.00 126.50 3hu1 h PRO 44 Ca 0.32 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.23 3hu1 h PRO 44 Cb -0.01 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3hu1 h PRO 44 CO -0.06 0.33 -0.70 -0.22 -0.21 0.00 0.00 178.00 177.14 3hu1 h LYS 45 N 0.47 0.33 -0.33 1.05 1.63 -1.78 -2.58 116.57 115.35 3hu1 h LYS 45 Ca 0.12 -0.26 -0.10 0.00 -0.85 0.00 0.00 60.65 59.57 3hu1 h LYS 45 Cb -0.01 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 3hu1 h LYS 45 CO -0.02 0.90 -0.21 0.52 -3.45 0.00 0.00 179.45 177.19 3hu1 h MET 46 N 0.23 0.62 -0.08 1.90 2.86 -1.33 -2.50 114.93 116.63 3hu1 h MET 46 Ca -0.02 -0.23 -0.17 0.00 -2.06 0.00 0.00 59.70 57.22 3hu1 h MET 46 Cb 1.25 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 3hu1 h MET 46 CO 0.11 0.79 -0.67 -0.44 1.06 0.00 0.00 176.91 177.77 3hu1 h ASP 47 N 0.55 0.41 -0.07 1.22 3.45 -1.48 0.19 116.42 120.70 3hu1 h ASP 47 Ca 0.08 -0.25 -0.09 0.00 0.43 0.00 0.00 57.03 57.20 3hu1 h ASP 47 Cb 0.66 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 3hu1 h ASP 47 CO 0.05 0.96 -0.22 -0.08 -1.57 0.00 0.00 179.24 178.38 3hu1 h GLU 48 N 0.25 0.47 -0.20 3.56 4.81 -1.29 -3.12 114.58 119.07 3hu1 h GLU 48 Ca -0.02 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3hu1 h GLU 48 Cb 1.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3hu1 h GLU 48 CO 0.11 0.67 0.00 1.28 -0.73 0.00 0.00 179.01 180.34 3hu1 n LEU 49 N -4.14 2.79 -3.72 1.64 4.77 -0.96 -4.97 117.00 112.40 3hu1 n LEU 49 Ca -0.00 -1.09 -0.25 0.00 -0.03 0.00 0.00 56.01 54.63 3hu1 n LEU 49 Cb 0.38 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3hu1 n LEU 49 CO 0.41 0.55 -0.10 0.00 -1.33 0.00 0.00 177.39 176.92 3hu1 n GLN 50 N 1.10 -3.09 -3.88 3.23 6.02 -1.05 -4.95 117.38 114.76 3hu1 n GLN 50 Ca 0.17 0.53 -0.35 0.00 -0.01 0.00 0.00 57.00 57.34 3hu1 n GLN 50 Cb 0.53 -4.71 -0.13 0.00 1.02 0.00 0.00 30.24 26.94 3hu1 n GLN 50 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hu1 s LEU 51 N -6.58 3.98 0.71 1.08 1.43 0.66 -5.04 118.68 114.92 3hu1 s LEU 51 Ca 0.19 -1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 51.93 3hu1 s LEU 51 Cb -0.06 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3hu1 s LEU 51 CO 0.84 -0.27 1.07 -0.36 0.23 0.00 0.00 176.35 177.85 3hu1 s PHE 52 N 1.28 3.09 0.25 0.29 2.99 -1.26 -4.53 117.98 120.09 3hu1 s PHE 52 Ca -0.04 1.34 -0.30 0.00 0.00 0.00 0.00 56.93 57.92 3hu1 s PHE 52 Cb -0.20 -2.93 -0.10 0.00 0.00 0.00 0.00 43.02 39.79 3hu1 s PHE 52 CO -0.00 -1.32 1.51 0.50 -0.00 0.00 0.00 175.22 175.90 3hu1 s ARG 53 N -5.09 4.22 -0.66 0.44 3.52 -1.26 -3.02 118.95 117.09 3hu1 s ARG 53 Ca 0.58 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.58 3hu1 s ARG 53 Cb -0.14 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3hu1 s ARG 53 CO 0.55 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.93 3hu1 n GLY 54 N 2.45 0.86 3.76 8.12 0.00 0.15 -5.01 105.19 115.52 3hu1 n GLY 54 Ca 0.08 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 3hu1 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hu1 s ASP 55 N -2.83 7.31 0.10 1.61 1.01 -1.17 -4.71 116.67 117.99 3hu1 s ASP 55 Ca 0.00 2.06 -0.31 0.00 0.71 0.00 0.00 52.55 55.01 3hu1 s ASP 55 Cb 0.00 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 3hu1 s ASP 55 CO 0.00 -0.10 1.36 0.42 0.21 0.00 0.00 175.17 177.06 3hu1 s THR 56 N -1.33 3.44 0.11 -1.27 -4.23 -1.26 -1.33 115.64 109.77 3hu1 s THR 56 Ca 0.47 1.03 0.08 0.00 -1.18 0.00 0.00 61.69 62.08 3hu1 s THR 56 Cb -0.26 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 3hu1 s THR 56 CO 0.33 0.08 -0.19 0.68 -0.54 0.00 0.00 174.62 174.98 3hu1 s VAL 57 N 1.13 1.60 -0.22 2.29 -7.23 0.16 -2.30 120.40 115.84 3hu1 s VAL 57 Ca 0.64 -1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 3hu1 s VAL 57 Cb -0.35 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 3hu1 s VAL 57 CO 0.30 -0.18 0.05 -0.22 -0.31 0.00 0.00 175.10 174.74 3hu1 s LEU 58 N -2.10 3.45 -0.12 1.32 2.96 0.46 -1.47 118.68 123.19 3hu1 s LEU 58 Ca 0.07 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3hu1 s LEU 58 Cb -0.09 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3hu1 s LEU 58 CO 0.04 0.04 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.28 3hu1 s LEU 59 N 1.19 3.14 -0.16 -0.68 1.43 -0.46 -0.32 118.68 122.82 3hu1 s LEU 59 Ca 0.04 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3hu1 s LEU 59 Cb -0.14 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3hu1 s LEU 59 CO 0.03 0.25 -0.10 -0.54 0.23 0.00 0.00 176.35 176.21 3hu1 s LYS 60 N -0.12 3.38 0.00 1.70 1.02 -0.80 -2.17 119.74 122.76 3hu1 s LYS 60 Ca 0.01 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.34 3hu1 s LYS 60 Cb -0.13 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 3hu1 s LYS 60 CO 0.03 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 3hu1 n GLY 61 N 3.99 2.43 3.97 -3.33 0.00 0.38 -2.42 105.19 110.21 3hu1 n GLY 61 Ca -0.18 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 3hu1 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hu1 s LYS 62 N 4.79 3.25 -1.54 1.61 1.02 -0.53 -4.68 119.74 123.67 3hu1 s LYS 62 Ca 0.00 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 3hu1 s LYS 62 Cb 0.00 -2.75 0.08 0.00 -0.52 0.00 0.00 37.83 34.65 3hu1 s LYS 62 CO 0.00 0.09 0.74 1.63 -0.92 0.00 0.00 175.35 176.89 3hu1 n LYS 63 N -1.72 -4.05 -1.53 1.68 5.02 -1.26 -1.89 118.16 114.41 3hu1 n LYS 63 Ca -0.03 0.47 -0.15 0.00 -2.02 0.00 0.00 58.31 56.58 3hu1 n LYS 63 Cb 0.57 -5.07 -0.06 0.00 -0.02 0.00 0.00 35.03 30.45 3hu1 n LYS 63 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3hu1 n ARG 64 N -4.47 -1.09 -3.33 1.97 3.00 -1.26 -4.83 116.66 106.66 3hu1 n ARG 64 Ca -0.07 1.01 -0.34 0.00 -0.00 0.00 0.00 57.85 58.45 3hu1 n ARG 64 Cb 0.57 -5.19 -0.06 0.00 0.00 0.00 0.00 32.46 27.79 3hu1 n ARG 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3hu1 s ARG 65 N -3.45 3.94 0.09 -0.14 1.81 -0.79 -4.95 118.95 115.47 3hu1 s ARG 65 Ca 0.00 0.47 0.01 0.00 -1.72 0.00 0.00 55.73 54.49 3hu1 s ARG 65 Cb 0.00 -2.77 -0.04 0.00 -0.45 0.00 0.00 34.95 31.69 3hu1 s ARG 65 CO 0.00 0.38 -0.06 -1.21 -0.68 0.00 0.00 175.30 173.72 3hu1 s GLU 66 N -2.38 0.80 -0.07 3.54 2.02 -1.26 -0.47 118.70 120.89 3hu1 s GLU 66 Ca 0.43 -1.31 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 3hu1 s GLU 66 Cb -0.13 -0.17 0.02 0.00 0.10 0.00 0.00 34.13 33.95 3hu1 s GLU 66 CO 0.20 -0.02 0.27 0.00 0.02 0.00 0.00 175.26 175.73 3hu1 s ALA 67 N -3.58 -0.68 -0.24 5.21 0.00 -0.92 -4.63 121.76 116.92 3hu1 s ALA 67 Ca 0.11 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 3hu1 s ALA 67 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3hu1 s ALA 67 CO -0.05 -0.18 0.08 0.14 0.00 0.00 0.00 175.76 175.75 3hu1 s VAL 68 N -0.49 4.52 0.28 0.00 -7.23 -1.26 -1.35 120.40 114.87 3hu1 s VAL 68 Ca -0.06 -0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.07 3hu1 s VAL 68 Cb -0.04 -3.11 -0.06 0.00 0.56 0.00 0.00 36.38 33.74 3hu1 s VAL 68 CO 0.02 0.35 -0.05 0.00 -0.31 0.00 0.00 175.10 175.10 3hu1 s ILE 70 N -3.03 4.93 -0.10 0.00 2.07 0.81 0.39 121.20 126.27 3hu1 s ILE 70 Ca 0.30 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.40 3hu1 s ILE 70 Cb 0.04 -3.24 -0.05 0.00 0.13 0.00 0.00 42.46 39.34 3hu1 s ILE 70 CO 0.12 0.44 0.38 0.54 -1.91 0.00 0.00 174.94 174.51 3hu1 s VAL 71 N 0.50 5.19 0.13 4.00 0.11 -0.45 -2.19 120.40 127.70 3hu1 s VAL 71 Ca 0.04 0.75 0.06 0.00 -2.93 0.00 0.00 61.98 59.91 3hu1 s VAL 71 Cb -0.12 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 3hu1 s VAL 71 CO 0.00 0.44 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.31 3hu1 s LEU 72 N -0.03 2.42 -0.07 2.54 1.43 -0.56 0.34 118.68 124.75 3hu1 s LEU 72 Ca 0.22 -0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 52.23 3hu1 s LEU 72 Cb -0.15 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3hu1 s LEU 72 CO 0.09 -0.13 0.81 -0.94 0.23 0.00 0.00 176.35 176.40 3hu1 s SER 73 N -2.53 7.08 -0.01 2.29 1.04 -1.26 -1.81 113.70 118.51 3hu1 s SER 73 Ca 0.10 1.31 0.05 0.00 0.48 0.00 0.00 55.95 57.90 3hu1 s SER 73 Cb -0.05 -2.46 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 3hu1 s SER 73 CO 0.04 -0.22 -0.15 -0.62 0.98 0.00 0.00 173.24 173.26 3hu1 s ASP 74 N 0.94 1.81 -0.16 7.02 2.15 0.81 -4.89 116.67 124.35 3hu1 s ASP 74 Ca 0.42 -0.30 0.04 0.00 0.43 0.00 0.00 52.55 53.14 3hu1 s ASP 74 Cb -0.18 -0.19 -0.23 0.00 -0.30 0.00 0.00 42.92 42.02 3hu1 s ASP 74 CO 0.19 0.18 0.19 0.47 -0.17 0.00 0.00 175.17 176.03 3hu1 n ASP 75 N 2.62 1.46 0.15 -0.34 8.00 -1.26 -3.73 116.55 123.45 3hu1 n ASP 75 Ca -0.15 0.11 0.12 0.00 0.71 0.00 0.00 54.79 55.58 3hu1 n ASP 75 Cb 0.55 -0.24 0.54 0.00 -0.02 0.00 0.00 41.12 41.95 3hu1 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hu1 h THR 76 N 0.02 0.00 -3.61 -3.53 1.03 -1.98 -3.44 112.91 101.41 3hu1 h THR 76 Ca -0.47 -0.20 -0.51 0.00 -0.01 0.00 0.00 66.41 65.22 3hu1 h THR 76 Cb 2.03 0.92 -0.03 0.00 -1.07 0.00 0.00 68.15 70.00 3hu1 h THR 76 CO 0.02 0.00 0.28 0.00 -0.01 0.00 0.00 175.52 175.81 3hu1 s SER 78 N -0.84 5.58 0.14 0.00 0.01 -1.26 -4.44 113.70 112.89 3hu1 s SER 78 Ca 0.40 1.69 -0.25 0.00 1.31 0.00 0.00 55.95 59.10 3hu1 s SER 78 Cb -0.24 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 3hu1 s SER 78 CO 0.29 -1.31 1.61 0.44 0.41 0.00 0.00 173.24 174.68 3hu1 h ASP 79 N -0.21 -1.04 -0.60 2.44 3.45 -1.97 -2.76 116.42 115.73 3hu1 h ASP 79 Ca -0.45 0.16 -0.27 0.00 0.43 0.00 0.00 57.03 56.90 3hu1 h ASP 79 Cb 1.21 0.45 -0.16 0.00 -0.56 0.00 0.00 39.33 40.28 3hu1 h ASP 79 CO 0.57 -0.35 0.34 -1.84 -1.57 0.00 0.00 179.24 176.39 3hu1 n GLU 80 N -5.41 2.21 -4.40 3.56 -0.00 -1.26 -4.63 120.64 110.71 3hu1 n GLU 80 Ca -0.02 -2.01 -0.27 0.00 -0.00 0.00 0.00 57.16 54.87 3hu1 n GLU 80 Cb 0.33 -1.83 -0.12 0.00 -0.00 0.00 0.00 31.44 29.82 3hu1 n GLU 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3hu1 s LYS 81 N -2.17 1.44 -0.05 3.44 1.02 -1.04 -2.37 119.74 120.01 3hu1 s LYS 81 Ca 0.37 -1.45 0.05 0.00 0.02 0.00 0.00 55.97 54.96 3hu1 s LYS 81 Cb 0.31 -1.77 -0.00 0.00 -0.52 0.00 0.00 37.83 35.84 3hu1 s LYS 81 CO 0.08 0.39 -0.20 -1.50 -0.92 0.00 0.00 175.35 173.20 3hu1 s ILE 82 N -1.55 1.65 -0.17 2.17 2.07 0.86 -4.55 121.20 121.69 3hu1 s ILE 82 Ca 0.18 -0.83 -0.11 0.00 -1.41 0.00 0.00 60.65 58.47 3hu1 s ILE 82 Cb -0.08 -1.42 -0.05 0.00 0.13 0.00 0.00 42.46 41.04 3hu1 s ILE 82 CO 0.08 0.47 0.19 -0.13 -1.91 0.00 0.00 174.94 173.64 3hu1 s ARG 83 N 0.03 4.10 -0.14 3.50 0.52 -0.39 0.48 118.95 127.06 3hu1 s ARG 83 Ca -0.05 -0.09 -0.21 0.00 -0.52 0.00 0.00 55.73 54.86 3hu1 s ARG 83 Cb -0.13 -3.38 0.05 0.00 0.52 0.00 0.00 34.95 32.01 3hu1 s ARG 83 CO 0.03 0.36 0.54 0.00 0.02 0.00 0.00 175.30 176.25 3hu1 s MET 84 N 0.16 0.74 0.21 3.54 0.23 -0.90 -1.64 119.30 121.64 3hu1 s MET 84 Ca 0.12 0.48 -0.04 0.00 -1.03 0.00 0.00 55.69 55.22 3hu1 s MET 84 Cb -0.12 0.35 0.05 0.00 -1.53 0.00 0.00 34.83 33.58 3hu1 s MET 84 CO 0.01 -0.15 0.21 0.27 -2.03 0.00 0.00 175.02 173.33 3hu1 n ASN 85 N 2.08 -0.86 -0.11 -1.18 0.23 -1.26 -3.35 115.26 110.80 3hu1 n ASN 85 Ca -0.16 -0.75 -0.11 0.00 -0.53 0.00 0.00 54.58 53.03 3hu1 n ASN 85 Cb 0.56 -0.18 0.03 0.00 -2.08 0.00 0.00 39.78 38.11 3hu1 n ASN 85 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3hu1 h ARG 86 N 0.00 0.88 -0.53 -3.83 3.08 -1.98 -2.47 114.38 109.53 3hu1 h ARG 86 Ca -0.07 -0.41 0.02 0.00 0.07 0.00 0.00 59.98 59.58 3hu1 h ARG 86 Cb 0.22 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3hu1 h ARG 86 CO 0.05 1.06 0.33 0.28 -1.07 0.00 0.00 179.97 180.62 3hu1 h VAL 87 N 0.74 1.09 -0.07 2.04 2.07 -1.93 0.35 116.25 120.55 3hu1 h VAL 87 Ca 0.08 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hu1 h VAL 87 Cb 0.86 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3hu1 h VAL 87 CO 0.08 0.12 -0.01 0.58 0.02 0.00 0.00 177.57 178.36 3hu1 h VAL 88 N 0.67 1.28 -0.93 2.57 2.07 -1.84 -2.18 116.25 117.90 3hu1 h VAL 88 Ca 0.21 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.91 3hu1 h VAL 88 Cb -0.02 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 3hu1 h VAL 88 CO -0.07 0.25 0.58 0.03 0.02 0.00 0.00 177.57 178.38 3hu1 h ARG 89 N -0.20 1.00 -0.39 1.57 3.08 -1.13 -1.05 114.38 117.26 3hu1 h ARG 89 Ca 0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3hu1 h ARG 89 Cb 0.40 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3hu1 h ARG 89 CO 0.01 0.66 0.22 -0.91 -1.07 0.00 0.00 179.97 178.88 3hu1 h ASN 90 N 1.03 0.48 0.36 7.04 4.21 -0.27 -0.93 115.58 127.51 3hu1 h ASN 90 Ca 0.42 -0.08 -0.06 0.00 1.21 0.00 0.00 56.30 57.79 3hu1 h ASN 90 Cb 0.24 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 3hu1 h ASN 90 CO -0.20 0.43 -0.26 0.78 -1.29 0.00 0.00 177.43 176.89 3hu1 h ASN 91 N 0.50 0.00 0.02 5.81 -0.26 -0.63 -1.44 115.58 119.58 3hu1 h ASN 91 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3hu1 h ASN 91 Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 3hu1 h ASN 91 CO -0.02 0.26 -0.04 0.18 -1.06 0.00 0.00 177.43 176.75 3hu1 n LEU 92 N -4.00 1.51 -3.92 1.61 4.77 -0.49 -4.32 117.00 112.17 3hu1 n LEU 92 Ca -0.02 -0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 55.22 3hu1 n LEU 92 Cb 0.33 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3hu1 n LEU 92 CO 0.36 0.26 -0.17 0.54 -1.33 0.00 0.00 177.39 177.05 3hu1 n ARG 93 N 0.10 -3.75 -4.33 3.23 5.12 -0.54 -1.46 116.66 115.03 3hu1 n ARG 93 Ca 0.18 0.46 -0.22 0.00 -1.93 0.00 0.00 57.85 56.34 3hu1 n ARG 93 Cb 0.37 -4.75 -0.13 0.00 -1.16 0.00 0.00 32.46 26.78 3hu1 n ARG 93 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3hu1 s VAL 94 N -3.82 1.39 0.34 1.55 -7.23 -0.44 -4.41 120.40 107.77 3hu1 s VAL 94 Ca 0.09 -1.28 0.08 0.00 -1.81 0.00 0.00 61.98 59.05 3hu1 s VAL 94 Cb -0.04 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 3hu1 s VAL 94 CO 0.87 -0.04 0.23 -0.83 -0.31 0.00 0.00 175.10 175.02 3hu1 s GLY 95 N -1.54 1.85 0.13 2.32 0.00 -1.26 -4.44 107.32 104.39 3hu1 s GLY 95 Ca 0.03 -1.73 -0.34 0.00 0.00 0.00 0.00 44.72 42.68 3hu1 s GLY 95 CO 0.03 -1.65 1.56 1.04 0.00 0.00 0.00 173.10 174.08 3hu1 n LEU 96 N -1.28 2.91 0.00 0.66 4.32 -1.26 -2.00 117.00 120.35 3hu1 n LEU 96 Ca -0.02 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 57.05 3hu1 n LEU 96 Cb 0.60 -1.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 3hu1 n LEU 96 CO 0.43 -0.38 0.00 0.61 -1.22 0.00 0.00 177.39 176.83 3hu1 n GLY 97 N 3.36 3.04 3.78 -0.72 0.00 -0.59 -4.99 105.19 109.06 3hu1 n GLY 97 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3hu1 n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hu1 s ASP 98 N -0.87 6.15 0.26 1.61 1.01 -0.84 -4.62 116.67 119.38 3hu1 s ASP 98 Ca 0.00 2.19 -0.22 0.00 0.71 0.00 0.00 52.55 55.23 3hu1 s ASP 98 Cb 0.00 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 3hu1 s ASP 98 CO 0.00 -0.92 0.81 0.68 0.21 0.00 0.00 175.17 175.95 3hu1 s VAL 99 N -1.67 4.43 0.15 -1.27 -7.23 -1.26 -1.56 120.40 111.98 3hu1 s VAL 99 Ca 0.66 1.50 0.04 0.00 -1.81 0.00 0.00 61.98 62.36 3hu1 s VAL 99 Cb -0.25 -3.92 -0.04 0.00 0.56 0.00 0.00 36.38 32.73 3hu1 s VAL 99 CO 0.30 0.19 -0.07 0.27 -0.31 0.00 0.00 175.10 175.47 3hu1 s ILE 100 N -1.55 1.04 0.03 -0.62 -5.25 -0.17 -4.89 121.20 109.79 3hu1 s ILE 100 Ca 0.46 -2.03 -0.17 0.00 -0.99 0.00 0.00 60.65 57.91 3hu1 s ILE 100 Cb -0.17 -1.91 -0.06 0.00 2.95 0.00 0.00 42.46 43.27 3hu1 s ILE 100 CO 0.22 -0.69 0.50 -0.44 -1.79 0.00 0.00 174.94 172.74 3hu1 s SER 101 N -3.17 6.94 -0.10 4.36 0.01 -1.02 -1.74 113.70 118.99 3hu1 s SER 101 Ca 0.18 1.12 0.04 0.00 1.31 0.00 0.00 55.95 58.60 3hu1 s SER 101 Cb 0.04 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.96 3hu1 s SER 101 CO 0.01 0.28 -0.23 -0.51 0.41 0.00 0.00 173.24 173.20 3hu1 s ILE 102 N -1.00 2.00 -0.03 1.44 2.07 -0.86 -1.90 121.20 122.93 3hu1 s ILE 102 Ca 0.27 -0.99 0.04 0.00 -1.41 0.00 0.00 60.65 58.56 3hu1 s ILE 102 Cb -0.18 -1.74 -0.01 0.00 0.13 0.00 0.00 42.46 40.67 3hu1 s ILE 102 CO 0.16 0.55 -0.15 -1.58 -1.91 0.00 0.00 174.94 172.01 3hu1 s GLN 103 N 0.36 1.43 0.47 3.50 0.74 0.57 -4.84 119.66 121.89 3hu1 s GLN 103 Ca -0.19 -0.54 -0.24 0.00 0.05 0.00 0.00 55.36 54.45 3hu1 s GLN 103 Cb -0.18 -1.31 -0.07 0.00 1.10 0.00 0.00 33.01 32.55 3hu1 s GLN 103 CO 0.09 0.26 1.35 -1.25 -0.55 0.00 0.00 175.29 175.19 3hu1 s PRO 104 N -0.10 3.58 -0.40 1.67 0.04 -1.26 -0.40 135.00 138.13 3hu1 s PRO 104 Ca 0.00 2.24 0.08 0.00 0.04 0.00 0.00 61.00 63.35 3hu1 s PRO 104 Cb -0.09 -2.52 0.24 0.00 0.04 0.00 0.00 34.50 32.17 3hu1 s PRO 104 CO 0.01 -0.84 0.50 0.00 0.04 0.00 0.00 177.00 176.71 3hu1 n PRO 106 N 1.55 1.55 0.17 0.00 -0.05 -1.26 -4.17 135.00 132.78 3hu1 n PRO 106 Ca 0.22 -0.84 0.05 0.00 -0.05 0.00 0.00 63.50 62.87 3hu1 n PRO 106 Cb 0.52 -1.28 0.19 0.00 -0.05 0.00 0.00 33.50 32.89 3hu1 n PRO 106 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 3hu1 h ASP 107 N 1.52 0.00 -1.98 3.54 3.45 -1.94 -3.47 116.42 117.54 3hu1 h ASP 107 Ca 0.00 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.85 3hu1 h ASP 107 Cb 0.34 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3hu1 h ASP 107 CO 0.00 0.41 1.18 0.52 -1.57 0.00 0.00 179.24 179.78 3hu1 n VAL 108 N -3.33 0.55 -1.76 -1.35 0.31 -1.26 -4.99 118.33 106.51 3hu1 n VAL 108 Ca 0.01 -0.16 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 3hu1 n VAL 108 Cb 0.61 -1.98 0.03 0.00 -0.91 0.00 0.00 33.84 31.60 3hu1 n VAL 108 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hu1 s LYS 109 N 4.55 3.10 0.25 5.55 1.02 -1.26 -4.84 119.74 128.12 3hu1 s LYS 109 Ca 0.95 1.03 -0.30 0.00 0.02 0.00 0.00 55.97 57.68 3hu1 s LYS 109 Cb -0.64 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 3hu1 s LYS 109 CO 0.49 -0.97 1.15 0.71 -0.92 0.00 0.00 175.35 175.80 3hu1 s TYR 110 N -2.84 3.48 0.32 3.18 1.51 -1.26 -1.64 117.35 120.10 3hu1 s TYR 110 Ca 0.60 1.59 -0.29 0.00 -1.01 0.00 0.00 57.07 57.96 3hu1 s TYR 110 Cb -0.14 -3.37 -0.10 0.00 -0.11 0.00 0.00 41.96 38.24 3hu1 s TYR 110 CO 0.48 -0.87 1.29 0.20 -1.11 0.00 0.00 175.55 175.54 3hu1 s GLY 111 N -0.50 2.97 -0.08 0.71 0.00 0.83 -4.82 107.32 106.43 3hu1 s GLY 111 Ca 0.48 1.22 -0.06 0.00 0.00 0.00 0.00 44.72 46.35 3hu1 s GLY 111 CO 0.41 1.88 -0.13 1.17 0.00 0.00 0.00 173.10 176.43 3hu1 n LYS 112 N 0.94 0.25 -4.12 2.90 3.00 -1.26 -3.82 118.16 116.04 3hu1 n LYS 112 Ca 0.00 0.28 -0.18 0.00 -0.00 0.00 0.00 58.31 58.41 3hu1 n LYS 112 Cb 0.42 -1.13 -0.16 0.00 0.00 0.00 0.00 35.03 34.16 3hu1 n LYS 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hu1 s ARG 113 N -1.77 0.60 0.08 1.64 0.52 -1.26 -1.90 118.95 116.85 3hu1 s ARG 113 Ca -0.10 -0.10 0.08 0.00 -0.52 0.00 0.00 55.73 55.09 3hu1 s ARG 113 Cb 0.01 -0.64 -0.03 0.00 0.52 0.00 0.00 34.95 34.82 3hu1 s ARG 113 CO 0.15 -0.03 -0.21 0.96 0.02 0.00 0.00 175.30 176.19 3hu1 s ILE 114 N 0.61 1.74 -0.22 1.52 -4.36 -0.66 -0.78 121.20 119.04 3hu1 s ILE 114 Ca -0.07 -1.43 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 3hu1 s ILE 114 Cb -0.11 -1.55 0.05 0.00 1.25 0.00 0.00 42.46 42.11 3hu1 s ILE 114 CO -0.00 0.05 -0.09 -2.28 0.24 0.00 0.00 174.94 172.86 3hu1 s HIS 115 N -1.02 2.55 0.10 1.37 2.46 -0.93 -0.82 115.29 119.00 3hu1 s HIS 115 Ca 0.07 -1.77 0.09 0.00 0.47 0.00 0.00 55.06 53.92 3hu1 s HIS 115 Cb -0.10 -1.67 -0.04 0.00 -0.13 0.00 0.00 32.58 30.65 3hu1 s HIS 115 CO 0.03 -0.78 -0.20 0.14 -2.47 0.00 0.00 174.74 171.47 3hu1 s VAL 116 N 1.35 2.70 -0.00 0.89 -7.23 -0.45 -0.24 120.40 117.41 3hu1 s VAL 116 Ca -0.04 -1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 3hu1 s VAL 116 Cb -0.18 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.56 3hu1 s VAL 116 CO -0.07 0.16 0.02 -0.76 -0.31 0.00 0.00 175.10 174.14 3hu1 s LEU 117 N -1.94 1.96 0.39 1.32 1.43 -0.48 -4.16 118.68 117.20 3hu1 s LEU 117 Ca 0.16 -0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 3hu1 s LEU 117 Cb -0.10 0.17 -0.10 0.00 0.03 0.00 0.00 46.19 46.18 3hu1 s LEU 117 CO 0.08 -0.14 0.89 -2.16 0.23 0.00 0.00 176.35 175.25 3hu1 s PRO 118 N -0.62 4.20 -0.19 1.29 0.04 -1.26 -0.28 135.00 138.18 3hu1 s PRO 118 Ca -0.07 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.70 3hu1 s PRO 118 Cb -0.04 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3hu1 s PRO 118 CO -0.00 0.05 1.05 0.42 0.04 0.00 0.00 177.00 178.55 3hu1 s ILE 119 N -2.08 4.67 0.25 0.56 1.09 0.12 -1.33 121.20 124.48 3hu1 s ILE 119 Ca 0.59 1.99 -0.12 0.00 -1.10 0.00 0.00 60.65 62.01 3hu1 s ILE 119 Cb -0.10 -4.29 0.34 0.00 -1.06 0.00 0.00 42.46 37.35 3hu1 s ILE 119 CO 0.15 -0.12 1.57 -2.24 -0.10 0.00 0.00 174.94 174.20 3hu1 h ASP 120 N 7.40 -1.01 1.07 3.58 2.03 -1.47 -1.74 116.42 126.28 3hu1 h ASP 120 Ca -0.23 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 3hu1 h ASP 120 Cb 1.09 0.61 0.00 0.00 -0.83 0.00 0.00 39.33 40.20 3hu1 h ASP 120 CO 0.94 -0.30 0.00 -2.24 -1.03 0.00 0.00 179.24 176.62 3hu1 h ASP 121 N -0.02 0.00 -0.42 4.15 2.03 -1.93 -2.18 116.42 118.05 3hu1 h ASP 121 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 3hu1 h ASP 121 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 3hu1 h ASP 121 CO -0.92 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 177.64 3hu1 n THR 122 N -2.80 1.51 -1.54 1.15 -2.24 -0.65 -4.40 114.28 105.31 3hu1 n THR 122 Ca 0.02 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3hu1 n THR 122 Cb 0.32 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3hu1 n THR 122 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3hu1 n VAL 123 N 0.58 0.00 -2.42 2.28 3.14 -0.82 -4.51 118.33 116.58 3hu1 n VAL 123 Ca 0.18 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.14 3hu1 n VAL 123 Cb 0.75 0.69 -0.03 0.00 -1.06 0.00 0.00 33.84 34.19 3hu1 n VAL 123 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3hu1 s GLU 124 N 0.00 4.37 0.00 1.45 2.02 -1.25 -4.75 118.70 120.55 3hu1 s GLU 124 Ca 0.00 1.74 0.00 0.00 0.02 0.00 0.00 54.97 56.73 3hu1 s GLU 124 Cb 0.00 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.74 3hu1 s GLU 124 CO 0.00 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.29 3hu1 n GLY 125 N 3.35 -0.92 2.18 -1.39 0.00 -1.26 -5.08 105.19 102.07 3hu1 n GLY 125 Ca 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3hu1 n GLY 125 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hu1 n ILE 126 N 1.41 -6.49 -0.05 -0.61 0.13 -1.26 -5.01 119.36 107.48 3hu1 n ILE 126 Ca 0.00 1.53 -0.14 0.00 -1.10 0.00 0.00 62.75 63.05 3hu1 n ILE 126 Cb 0.00 -3.72 -0.12 0.00 -0.84 0.00 0.00 39.64 34.96 3hu1 n ILE 126 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 3hu1 h THR 127 N 4.16 1.69 0.00 9.51 2.02 -1.98 -3.48 112.91 124.83 3hu1 h THR 127 Ca 0.00 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.16 3hu1 h THR 127 Cb 0.00 3.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3hu1 h THR 127 CO 0.00 0.52 0.00 0.61 0.37 0.00 0.00 175.52 177.02 3hu1 n GLY 128 N 1.23 0.24 3.63 2.16 0.00 -1.26 -3.45 105.19 107.74 3hu1 n GLY 128 Ca -0.10 0.56 -0.02 0.00 0.00 0.00 0.00 46.02 46.46 3hu1 n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hu1 s ASN 129 N -4.00 -1.04 0.25 1.61 3.84 -1.26 -5.07 114.94 109.27 3hu1 s ASN 129 Ca 0.00 1.49 0.05 0.00 0.21 0.00 0.00 52.86 54.61 3hu1 s ASN 129 Cb 0.00 1.98 0.30 0.00 -0.55 0.00 0.00 41.25 42.99 3hu1 s ASN 129 CO 0.00 -0.22 1.60 -0.07 -2.79 0.00 0.00 177.10 175.62 3hu1 h LEU 130 N 7.64 0.26 -0.21 3.21 3.38 -1.96 -1.93 115.31 125.70 3hu1 h LEU 130 Ca -0.21 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 3hu1 h LEU 130 Cb 1.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hu1 h LEU 130 CO 0.12 0.76 -0.42 0.15 0.09 0.00 0.00 178.44 179.15 3hu1 h PHE 131 N 0.18 0.82 0.01 1.13 3.04 -1.96 -2.51 116.94 117.65 3hu1 h PHE 131 Ca 0.00 -0.30 -0.00 0.00 3.98 0.00 0.00 57.97 61.65 3hu1 h PHE 131 Cb 1.03 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.39 3hu1 h PHE 131 CO 0.02 1.06 -0.01 1.49 -2.02 0.00 0.00 178.31 178.86 3hu1 h GLU 132 N 0.34 -0.01 -0.24 1.11 4.57 -1.97 0.34 114.58 118.72 3hu1 h GLU 132 Ca 0.01 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 3hu1 h GLU 132 Cb 1.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3hu1 h GLU 132 CO 0.09 0.57 -0.40 0.28 -1.18 0.00 0.00 179.01 178.37 3hu1 h VAL 133 N -0.61 1.31 0.00 0.32 2.07 -1.48 -3.41 116.25 114.45 3hu1 h VAL 133 Ca -0.00 -1.61 -0.09 0.00 0.82 0.00 0.00 66.70 65.83 3hu1 h VAL 133 Cb 0.59 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3hu1 h VAL 133 CO 0.00 0.51 -0.99 -1.22 0.02 0.00 0.00 177.57 175.89 3hu1 n TYR 134 N -4.20 0.00 0.04 1.57 4.01 -0.96 -4.71 117.16 112.91 3hu1 n TYR 134 Ca -0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.49 3hu1 n TYR 134 Cb 0.54 -0.38 -0.13 0.00 -0.31 0.00 0.00 39.34 39.06 3hu1 n TYR 134 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hu1 h LEU 135 N -0.57 0.52 -0.60 7.72 3.38 -1.32 -3.04 115.31 121.40 3hu1 h LEU 135 Ca -0.13 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 56.96 3hu1 h LEU 135 Cb 0.82 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3hu1 h LEU 135 CO -0.08 1.36 0.40 0.50 0.09 0.00 0.00 178.44 180.71 3hu1 h LYS 136 N -0.23 0.78 0.00 1.13 3.64 -1.16 -1.03 116.57 119.70 3hu1 h LYS 136 Ca -0.13 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 3hu1 h LYS 136 Cb 1.57 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 3hu1 h LYS 136 CO 0.15 0.52 -0.25 -1.00 -2.27 0.00 0.00 179.45 176.60 3hu1 h PRO 137 N 0.81 0.00 -0.17 1.90 0.13 -1.79 -0.99 132.00 131.88 3hu1 h PRO 137 Ca 0.22 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.20 3hu1 h PRO 137 Cb -0.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.04 3hu1 h PRO 137 CO -0.05 0.25 -0.53 -0.92 -0.23 0.00 0.00 178.00 176.51 3hu1 h TYR 138 N 0.00 0.62 0.01 1.56 3.20 -1.30 -3.38 116.97 117.68 3hu1 h TYR 138 Ca -0.00 -0.22 -0.37 0.00 3.14 0.00 0.00 58.73 61.28 3hu1 h TYR 138 Cb 0.68 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 3hu1 h TYR 138 CO 0.00 0.93 -2.35 1.19 -1.64 0.00 0.00 178.16 176.29 3hu1 n PHE 139 N -3.96 0.16 -1.70 -3.82 3.72 -0.44 -4.85 117.46 106.56 3hu1 n PHE 139 Ca -0.03 0.04 -0.57 0.00 -0.05 0.00 0.00 57.45 56.85 3hu1 n PHE 139 Cb 0.59 -1.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.04 3hu1 n PHE 139 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3hu1 n LEU 140 N -3.01 2.41 0.00 4.37 7.94 -0.39 -1.56 117.00 126.75 3hu1 n LEU 140 Ca -0.37 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 3hu1 n LEU 140 Cb 1.08 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.87 3hu1 n LEU 140 CO 0.37 -0.44 0.00 -0.62 -1.11 0.00 0.00 177.39 175.58 3hu1 n GLU 141 N 5.29 -1.78 0.14 1.96 -0.58 -1.26 -4.80 120.64 119.61 3hu1 n GLU 141 Ca 0.26 0.42 0.08 0.00 -0.42 0.00 0.00 57.16 57.50 3hu1 n GLU 141 Cb 0.14 -4.80 0.05 0.00 -0.57 0.00 0.00 31.44 26.26 3hu1 n GLU 141 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hu1 h ALA 142 N 0.00 0.73 -6.48 0.62 0.00 -1.58 -3.48 119.26 109.06 3hu1 h ALA 142 Ca 0.00 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 54.19 3hu1 h ALA 142 Cb 0.84 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hu1 h ALA 142 CO 0.00 0.27 -0.93 0.66 0.00 0.00 0.00 179.25 179.25 3hu1 n TYR 143 N -2.97 -1.69 -2.47 0.00 4.01 -1.23 -4.91 117.16 107.89 3hu1 n TYR 143 Ca 0.00 0.53 -0.42 0.00 -0.16 0.00 0.00 57.90 57.85 3hu1 n TYR 143 Cb 0.63 -3.45 -0.03 0.00 -0.31 0.00 0.00 39.34 36.18 3hu1 n TYR 143 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hu1 s ARG 144 N -6.49 4.44 -0.04 -0.72 0.52 -1.21 -4.67 118.95 110.78 3hu1 s ARG 144 Ca 0.25 1.70 -0.30 0.00 -0.52 0.00 0.00 55.73 56.87 3hu1 s ARG 144 Cb -0.10 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 3hu1 s ARG 144 CO 0.89 -0.25 1.02 -1.25 0.02 0.00 0.00 175.30 175.73 3hu1 s PRO 145 N 1.21 4.49 0.05 3.54 0.05 -1.26 0.07 135.00 143.15 3hu1 s PRO 145 Ca 0.57 1.45 0.04 0.00 0.05 0.00 0.00 61.00 63.12 3hu1 s PRO 145 Cb -0.27 -3.49 -0.02 0.00 0.05 0.00 0.00 34.50 30.76 3hu1 s PRO 145 CO 0.28 -0.19 -0.13 0.96 0.05 0.00 0.00 177.00 177.97 3hu1 s ILE 146 N 1.46 1.00 0.01 0.56 -4.36 -0.87 -4.78 121.20 114.22 3hu1 s ILE 146 Ca 0.51 -1.05 0.05 0.00 -0.26 0.00 0.00 60.65 59.90 3hu1 s ILE 146 Cb -0.21 -0.94 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 3hu1 s ILE 146 CO 0.24 -0.10 -0.14 -0.60 0.24 0.00 0.00 174.94 174.58 3hu1 s ARG 147 N -1.30 2.30 0.13 0.37 3.52 -1.26 -2.64 118.95 120.07 3hu1 s ARG 147 Ca -0.01 -0.85 -0.35 0.00 -0.13 0.00 0.00 55.73 54.39 3hu1 s ARG 147 Cb -0.08 -2.32 -0.15 0.00 -1.56 0.00 0.00 34.95 30.83 3hu1 s ARG 147 CO 0.01 0.57 1.45 1.17 -0.81 0.00 0.00 175.30 177.70 3hu1 n LYS 148 N 1.67 1.68 -0.69 5.12 4.81 -0.70 -1.82 118.16 128.22 3hu1 n LYS 148 Ca -0.16 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3hu1 n LYS 148 Cb 0.52 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.27 3hu1 n LYS 148 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hu1 n GLY 149 N 2.91 0.69 3.76 3.14 0.00 0.13 -5.02 105.19 110.81 3hu1 n GLY 149 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3hu1 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hu1 s ASP 150 N -2.20 6.91 -0.25 1.61 1.01 -0.76 -4.83 116.67 118.17 3hu1 s ASP 150 Ca 0.00 2.51 -0.05 0.00 0.71 0.00 0.00 52.55 55.72 3hu1 s ASP 150 Cb 0.00 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 3hu1 s ASP 150 CO 0.00 -0.45 -0.00 -0.63 0.21 0.00 0.00 175.17 174.30 3hu1 s ILE 151 N -0.72 3.55 0.07 0.77 1.09 -1.26 -1.20 121.20 123.51 3hu1 s ILE 151 Ca 0.51 -0.58 0.05 0.00 -1.10 0.00 0.00 60.65 59.53 3hu1 s ILE 151 Cb -0.37 -2.70 -0.03 0.00 -1.06 0.00 0.00 42.46 38.30 3hu1 s ILE 151 CO 0.45 0.30 -0.14 0.72 -0.10 0.00 0.00 174.94 176.17 3hu1 s PHE 152 N 1.48 1.23 -0.14 3.97 -0.71 -0.18 -4.82 117.98 118.80 3hu1 s PHE 152 Ca 0.04 -0.46 -0.05 0.00 -1.04 0.00 0.00 56.93 55.43 3hu1 s PHE 152 Cb -0.15 -0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 40.93 3hu1 s PHE 152 CO -0.01 0.06 0.02 -1.17 -1.34 0.00 0.00 175.22 172.77 3hu1 s LEU 153 N -1.74 3.59 -0.08 -1.99 2.96 -1.26 -0.23 118.68 119.93 3hu1 s LEU 153 Ca -0.02 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 3hu1 s LEU 153 Cb -0.10 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.74 3hu1 s LEU 153 CO 0.02 0.24 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.54 3hu1 s VAL 154 N -0.04 0.80 0.20 1.68 1.01 -0.38 -4.99 120.40 118.68 3hu1 s VAL 154 Ca 0.04 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 3hu1 s VAL 154 Cb -0.13 -0.83 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 3hu1 s VAL 154 CO 0.02 0.31 0.81 -0.13 0.00 0.00 0.00 175.10 176.11 3hu1 s ARG 155 N 1.40 4.56 -0.44 2.72 0.52 -1.26 -1.31 118.95 125.14 3hu1 s ARG 155 Ca -0.02 1.18 0.07 0.00 -0.52 0.00 0.00 55.73 56.44 3hu1 s ARG 155 Cb -0.13 -3.15 0.24 0.00 0.52 0.00 0.00 34.95 32.42 3hu1 s ARG 155 CO -0.04 0.50 0.53 0.41 0.02 0.00 0.00 175.30 176.73 3hu1 n GLY 156 N 1.32 3.09 6.49 -3.53 0.00 -0.56 -4.93 105.19 107.08 3hu1 n GLY 156 Ca -0.04 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3hu1 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hu1 n GLY 157 N 1.56 0.78 0.40 -0.02 0.00 -1.26 -4.21 105.19 102.43 3hu1 n GLY 157 Ca 0.24 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 3hu1 n GLY 157 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3hu1 n MET 158 N 0.00 -0.37 -3.07 1.61 -0.00 -1.26 -4.90 117.12 109.12 3hu1 n MET 158 Ca 0.00 1.47 -0.08 0.00 -0.00 0.00 0.00 57.70 59.09 3hu1 n MET 158 Cb 0.00 -2.17 0.01 0.00 -0.00 0.00 0.00 33.22 31.06 3hu1 n MET 158 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3hu1 n ARG 159 N -5.27 0.69 -4.79 3.17 1.85 -1.26 -5.17 116.66 105.88 3hu1 n ARG 159 Ca 0.04 -1.72 -0.33 0.00 -1.00 0.00 0.00 57.85 54.84 3hu1 n ARG 159 Cb 0.29 1.95 -0.14 0.00 -1.05 0.00 0.00 32.46 33.51 3hu1 n ARG 159 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hu1 s ALA 160 N -2.00 2.65 -0.09 2.89 0.00 -1.26 -1.50 121.76 122.44 3hu1 s ALA 160 Ca 0.15 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.22 3hu1 s ALA 160 Cb -0.02 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 3hu1 s ALA 160 CO 0.11 0.33 -0.17 0.08 0.00 0.00 0.00 175.76 176.11 3hu1 s VAL 161 N 0.06 2.76 -0.03 0.00 1.01 -0.42 -4.93 120.40 118.84 3hu1 s VAL 161 Ca -0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 3hu1 s VAL 161 Cb -0.14 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3hu1 s VAL 161 CO 0.04 0.55 0.57 -1.61 0.00 0.00 0.00 175.10 174.66 3hu1 s GLU 162 N -0.02 4.31 0.11 2.72 2.02 -1.26 -1.25 118.70 125.33 3hu1 s GLU 162 Ca -0.05 0.68 0.10 0.00 0.02 0.00 0.00 54.97 55.72 3hu1 s GLU 162 Cb -0.14 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 3hu1 s GLU 162 CO 0.04 0.32 -0.27 -0.06 0.02 0.00 0.00 175.26 175.31 3hu1 s PHE 163 N 0.01 2.30 -0.13 1.61 0.08 0.68 -0.71 117.98 121.82 3hu1 s PHE 163 Ca 0.30 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 3hu1 s PHE 163 Cb -0.17 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 3hu1 s PHE 163 CO 0.16 0.28 -0.11 0.21 -0.10 0.00 0.00 175.22 175.66 3hu1 s LYS 164 N -1.84 3.44 -0.51 0.44 2.20 0.61 -1.01 119.74 123.08 3hu1 s LYS 164 Ca 0.13 -0.65 -0.28 0.00 -0.36 0.00 0.00 55.97 54.81 3hu1 s LYS 164 Cb -0.10 -2.69 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 3hu1 s LYS 164 CO 0.05 0.23 1.31 0.08 -0.36 0.00 0.00 175.35 176.66 3hu1 s VAL 165 N 0.33 3.95 -0.14 4.02 1.01 -0.34 -1.39 120.40 127.85 3hu1 s VAL 165 Ca -0.09 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 3hu1 s VAL 165 Cb -0.15 -4.46 -0.25 0.00 0.00 0.00 0.00 36.38 31.51 3hu1 s VAL 165 CO 0.05 -1.06 0.34 0.52 0.00 0.00 0.00 175.10 174.96 3hu1 n VAL 166 N 6.89 1.74 -4.02 2.92 0.31 0.67 0.21 118.33 127.05 3hu1 n VAL 166 Ca 0.13 -0.52 -0.11 0.00 -0.01 0.00 0.00 64.34 63.83 3hu1 n VAL 166 Cb 0.49 -1.81 -0.11 0.00 -0.91 0.00 0.00 33.84 31.50 3hu1 n VAL 166 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hu1 s GLU 167 N -2.52 0.40 -0.02 5.55 2.56 -1.09 -4.72 118.70 118.87 3hu1 s GLU 167 Ca -0.24 -0.66 0.01 0.00 0.00 0.00 0.00 54.97 54.08 3hu1 s GLU 167 Cb 0.06 -0.07 0.01 0.00 2.00 0.00 0.00 34.13 36.14 3hu1 s GLU 167 CO 0.73 -0.00 -0.01 0.99 -0.56 0.00 0.00 175.26 176.41 3hu1 s THR 168 N -1.39 0.18 0.11 -1.70 2.01 -1.26 -2.18 115.64 111.41 3hu1 s THR 168 Ca -0.13 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 3hu1 s THR 168 Cb -0.10 -0.22 -0.22 0.00 0.01 0.00 0.00 72.50 71.97 3hu1 s THR 168 CO -0.00 0.10 1.25 -0.78 -0.69 0.00 0.00 174.62 174.50 3hu1 h ASP 169 N 6.75 0.37 -3.32 3.53 3.58 -1.35 -3.40 116.42 122.58 3hu1 h ASP 169 Ca -0.36 -0.35 -0.54 0.00 0.42 0.00 0.00 57.03 56.20 3hu1 h ASP 169 Cb 1.16 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 3hu1 h ASP 169 CO 0.49 1.22 0.45 -2.84 -2.88 0.00 0.00 179.24 175.68 3hu1 s PRO 170 N -2.93 4.50 0.00 0.28 0.02 -1.26 -4.93 135.00 130.68 3hu1 s PRO 170 Ca -0.04 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3hu1 s PRO 170 Cb 0.08 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.18 3hu1 s PRO 170 CO 0.86 -0.14 0.05 0.43 -0.33 0.00 0.00 177.00 177.87 3hu1 n SER 171 N 3.96 0.00 -0.12 2.53 7.64 -1.26 -3.78 113.62 122.58 3hu1 n SER 171 Ca 0.07 0.05 -0.17 0.00 1.01 0.00 0.00 58.87 59.84 3hu1 n SER 171 Cb 0.49 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.57 3hu1 n SER 171 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3hu1 n PRO 172 N -0.38 0.65 -4.06 1.43 -0.04 -1.26 -4.66 135.00 126.69 3hu1 n PRO 172 Ca 0.00 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 3hu1 n PRO 172 Cb 0.00 -1.51 -0.11 0.00 -0.04 0.00 0.00 33.50 31.84 3hu1 n PRO 172 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3hu1 s TYR 173 N -2.51 0.60 0.16 0.54 -0.85 -1.25 -1.73 117.35 112.32 3hu1 s TYR 173 Ca -0.31 -0.58 -0.14 0.00 -0.52 0.00 0.00 57.07 55.52 3hu1 s TYR 173 Cb 0.08 -0.37 0.01 0.00 0.38 0.00 0.00 41.96 42.07 3hu1 s TYR 173 CO 0.62 -0.13 0.39 0.00 -1.52 0.00 0.00 175.55 174.91 3hu1 s ILE 175 N -3.89 4.99 -0.76 0.00 1.01 -0.65 -2.06 121.20 119.84 3hu1 s ILE 175 Ca 0.10 1.14 -0.22 0.00 0.00 0.00 0.00 60.65 61.67 3hu1 s ILE 175 Cb 0.02 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.68 3hu1 s ILE 175 CO -0.05 0.41 1.08 -0.69 0.00 0.00 0.00 174.94 175.69 3hu1 s VAL 176 N -0.06 4.33 0.46 2.92 1.01 0.11 -0.12 120.40 129.05 3hu1 s VAL 176 Ca 0.29 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3hu1 s VAL 176 Cb -0.17 -4.76 -0.00 0.00 0.00 0.00 0.00 36.38 31.44 3hu1 s VAL 176 CO 0.15 -1.55 0.69 0.00 0.00 0.00 0.00 175.10 174.39 3hu1 s ALA 177 N 3.98 3.74 0.39 5.51 0.00 -1.26 -3.30 121.76 130.82 3hu1 s ALA 177 Ca 0.28 -1.04 0.23 0.00 0.00 0.00 0.00 51.96 51.42 3hu1 s ALA 177 Cb -0.12 -2.17 1.29 0.00 0.00 0.00 0.00 23.12 22.13 3hu1 s ALA 177 CO 0.04 -0.41 1.64 -1.35 0.00 0.00 0.00 175.76 175.67 3hu1 h PRO 178 N 0.35 0.15 -0.85 0.00 0.10 -1.96 -1.76 132.00 128.04 3hu1 h PRO 178 Ca -0.46 -0.01 0.12 0.00 0.10 0.00 0.00 66.00 65.75 3hu1 h PRO 178 Cb 1.25 -0.03 -0.06 0.00 0.10 0.00 0.00 31.00 32.26 3hu1 h PRO 178 CO 0.57 0.10 0.55 -0.44 0.10 0.00 0.00 178.00 178.89 3hu1 h ASP 179 N 0.16 0.68 -2.37 -2.05 5.19 -1.95 -3.44 116.42 112.64 3hu1 h ASP 179 Ca 0.79 0.03 -0.57 0.00 -0.62 0.00 0.00 57.03 56.65 3hu1 h ASP 179 Cb 2.18 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 41.57 3hu1 h ASP 179 CO -0.53 0.38 1.32 -0.89 -3.12 0.00 0.00 179.24 176.40 3hu1 s THR 180 N -5.70 3.26 -0.10 0.35 2.01 -0.66 -4.94 115.64 109.85 3hu1 s THR 180 Ca -0.10 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 3hu1 s THR 180 Cb 0.21 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 3hu1 s THR 180 CO 0.79 -0.15 1.36 -0.69 -0.69 0.00 0.00 174.62 175.24 3hu1 s VAL 181 N 6.65 4.04 -0.43 3.82 1.01 -0.80 -4.92 120.40 129.78 3hu1 s VAL 181 Ca 0.88 1.30 -0.14 0.00 0.00 0.00 0.00 61.98 64.02 3hu1 s VAL 181 Cb -0.31 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.28 3hu1 s VAL 181 CO 0.35 -0.09 0.32 -0.63 0.00 0.00 0.00 175.10 175.05 3hu1 s ILE 182 N 3.32 5.02 -0.04 2.22 1.01 -1.26 -1.66 121.20 129.81 3hu1 s ILE 182 Ca 0.60 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 3hu1 s ILE 182 Cb -0.26 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3hu1 s ILE 182 CO 0.20 -0.42 0.33 -1.00 0.00 0.00 0.00 174.94 174.05 3hu1 s HIS 183 N 1.61 3.69 -0.37 3.97 3.76 -0.00 -5.02 115.29 122.93 3hu1 s HIS 183 Ca 0.04 0.85 0.11 0.00 -0.15 0.00 0.00 55.06 55.91 3hu1 s HIS 183 Cb -0.22 -2.18 0.34 0.00 1.11 0.00 0.00 32.58 31.63 3hu1 s HIS 183 CO 0.07 0.67 0.70 0.00 -0.85 0.00 0.00 174.74 175.34 3hu1 h GLU 185 N 3.13 -0.17 0.00 0.00 5.08 -1.96 -3.48 114.58 117.17 3hu1 h GLU 185 Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hu1 h GLU 185 Cb 0.96 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3hu1 h GLU 185 CO 0.49 -0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 3hu1 n GLY 186 N 0.88 -2.86 3.76 -3.84 0.00 -1.26 -5.01 105.19 96.86 3hu1 n GLY 186 Ca -0.02 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 3hu1 n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hu1 s GLU 187 N -2.23 2.85 0.14 1.61 2.02 -1.26 -4.97 118.70 116.85 3hu1 s GLU 187 Ca 0.00 1.59 -0.31 0.00 0.02 0.00 0.00 54.97 56.27 3hu1 s GLU 187 Cb 0.00 -1.94 -0.11 0.00 0.10 0.00 0.00 34.13 32.19 3hu1 s GLU 187 CO 0.00 -1.25 1.79 -2.14 0.02 0.00 0.00 175.26 173.69 3hu1 s PRO 188 N -3.73 4.14 0.23 0.39 0.02 -1.26 -4.84 135.00 129.95 3hu1 s PRO 188 Ca 0.72 2.58 -0.31 0.00 0.02 0.00 0.00 61.00 64.00 3hu1 s PRO 188 Cb -0.25 -3.49 -0.12 0.00 0.02 0.00 0.00 34.50 30.67 3hu1 s PRO 188 CO 0.37 -0.81 1.69 -0.89 -0.33 0.00 0.00 177.00 177.02 3hu1 n ILE 189 N 4.58 0.31 -2.29 2.83 2.08 -0.44 -4.67 119.36 121.76 3hu1 n ILE 189 Ca 0.17 -0.08 -0.41 0.00 0.56 0.00 0.00 62.75 62.99 3hu1 n ILE 189 Cb 0.38 -1.98 -0.03 0.00 -0.75 0.00 0.00 39.64 37.26 3hu1 n ILE 189 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3hu1 s LYS 190 N 0.66 4.45 0.12 0.38 1.02 -1.26 -1.31 119.74 123.79 3hu1 s LYS 190 Ca 0.72 1.98 -0.21 0.00 0.02 0.00 0.00 55.97 58.48 3hu1 s LYS 190 Cb -0.50 -3.20 -0.07 0.00 -0.52 0.00 0.00 37.83 33.54 3hu1 s LYS 190 CO 0.37 -0.14 1.71 -0.09 -0.92 0.00 0.00 175.35 176.29 3hu1 h ARG 191 N 4.93 -0.02 -0.35 1.68 9.65 -1.94 -2.97 114.38 125.37 3hu1 h ARG 191 Ca -0.45 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.48 3hu1 h ARG 191 Cb 1.22 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 3hu1 h ARG 191 CO 0.74 -0.01 0.24 0.93 2.80 0.00 0.00 179.97 184.66 3hu1 h GLU 192 N -0.02 0.25 -0.20 0.20 5.08 -1.98 -0.06 114.58 117.86 3hu1 h GLU 192 Ca 0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3hu1 h GLU 192 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3hu1 h GLU 192 CO -0.14 0.17 0.09 -0.44 -1.00 0.00 0.00 179.01 177.69 3hu1 h ASP 193 N 0.26 0.26 1.03 1.42 3.45 -1.93 -0.53 116.42 120.38 3hu1 h ASP 193 Ca 0.15 -0.13 -0.13 0.00 0.43 0.00 0.00 57.03 57.35 3hu1 h ASP 193 Cb 0.27 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 3hu1 h ASP 193 CO -0.03 0.31 -0.63 -0.33 -1.57 0.00 0.00 179.24 176.99 3hu1 h GLU 194 N 0.19 0.00 -0.03 3.56 4.39 -1.21 -2.09 114.58 119.38 3hu1 h GLU 194 Ca 0.07 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 3hu1 h GLU 194 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3hu1 h GLU 194 CO -0.01 0.63 -0.75 0.93 -1.16 0.00 0.00 179.01 178.65 3hu1 h GLU 195 N 0.00 0.20 0.00 2.33 4.39 -1.06 -1.50 114.58 118.94 3hu1 h GLU 195 Ca -0.01 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3hu1 h GLU 195 Cb 1.32 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 3hu1 h GLU 195 CO 0.08 0.86 0.00 -1.91 -1.16 0.00 0.00 179.01 176.89 3hu1 n GLU 196 N -3.75 0.01 -0.01 2.33 2.13 -0.21 -1.15 120.64 119.99 3hu1 n GLU 196 Ca -0.03 0.11 -0.15 0.00 0.66 0.00 0.00 57.16 57.75 3hu1 n GLU 196 Cb 0.72 -1.52 -0.14 0.00 0.27 0.00 0.00 31.44 30.77 3hu1 n GLU 196 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3hu1 n SER 197 N -1.54 1.51 0.01 4.31 2.88 -0.80 -3.56 113.62 116.43 3hu1 n SER 197 Ca 0.06 0.31 -0.06 0.00 -1.33 0.00 0.00 58.87 57.85 3hu1 n SER 197 Cb 0.28 -0.47 0.14 0.00 -0.75 0.00 0.00 64.21 63.41 3hu1 n SER 197 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hu1 h LEU 198 N 0.04 0.53 -1.79 2.46 3.38 -1.17 -3.22 115.31 115.54 3hu1 h LEU 198 Ca -0.36 -0.22 0.26 0.00 0.09 0.00 0.00 57.88 57.65 3hu1 h LEU 198 Cb 2.03 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 3hu1 h LEU 198 CO 0.08 0.86 0.67 0.78 0.09 0.00 0.00 178.44 180.92 3hu1 h ASN 199 N 0.42 0.16 -1.61 -0.43 4.21 -1.23 -3.46 115.58 113.64 3hu1 h ASN 199 Ca 0.04 0.02 -0.69 0.00 1.21 0.00 0.00 56.30 56.88 3hu1 h ASN 199 Cb 0.85 -0.00 0.06 0.00 -1.12 0.00 0.00 38.32 38.11 3hu1 h ASN 199 CO 0.07 0.05 0.30 -0.62 -1.29 0.00 0.00 177.43 175.94 3hu1 n GLU 200 N -4.37 0.91 -2.46 0.81 1.02 -1.22 -4.87 120.64 110.47 3hu1 n GLU 200 Ca 0.21 0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 57.25 3hu1 n GLU 200 Cb 0.93 -1.88 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 3hu1 n GLU 200 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hu1 s VAL 201 N 0.16 4.24 0.45 2.62 1.01 -1.26 -5.05 120.40 122.57 3hu1 s VAL 201 Ca 0.82 1.57 0.02 0.00 0.00 0.00 0.00 61.98 64.39 3hu1 s VAL 201 Cb -0.98 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 31.41 3hu1 s VAL 201 CO 0.50 0.02 0.16 0.61 0.00 0.00 0.00 175.10 176.38 3hu1 n GLY 202 N 3.34 3.27 0.31 4.51 0.00 -1.26 -4.10 105.19 111.25 3hu1 n GLY 202 Ca 0.11 -2.32 0.20 0.00 0.00 0.00 0.00 46.02 44.00 3hu1 n GLY 202 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hu1 h TYR 203 N 0.96 0.00 0.00 1.61 0.99 -1.96 -1.54 116.97 117.03 3hu1 h TYR 203 Ca -0.33 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.40 3hu1 h TYR 203 Cb 1.09 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.82 3hu1 h TYR 203 CO 0.00 0.01 -0.00 -0.44 -0.00 0.00 0.00 178.16 177.73 3hu1 h ASP 204 N 0.00 0.00 -0.12 3.88 5.19 -2.00 -3.00 116.42 120.36 3hu1 h ASP 204 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hu1 h ASP 204 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3hu1 h ASP 204 CO 0.00 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.60 3hu1 n ASP 205 N -3.10 1.77 -4.21 6.45 9.92 -0.58 -4.80 116.55 122.01 3hu1 n ASP 205 Ca 0.01 -1.67 -0.34 0.00 -0.53 0.00 0.00 54.79 52.26 3hu1 n ASP 205 Cb 0.32 -0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.58 3hu1 n ASP 205 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hu1 s ILE 206 N -1.85 2.89 0.05 0.53 1.10 -1.14 -5.00 121.20 117.78 3hu1 s ILE 206 Ca 0.34 -0.97 0.02 0.00 -0.51 0.00 0.00 60.65 59.54 3hu1 s ILE 206 Cb 0.19 -2.45 -0.04 0.00 0.15 0.00 0.00 42.46 40.32 3hu1 s ILE 206 CO 0.29 0.23 0.07 -0.83 -2.11 0.00 0.00 174.94 172.59 3hu1 s GLY 207 N 1.34 2.00 -1.37 1.50 0.00 -1.26 -4.61 107.32 104.93 3hu1 s GLY 207 Ca 0.01 -0.97 -0.09 0.00 0.00 0.00 0.00 44.72 43.67 3hu1 s GLY 207 CO -0.05 -0.91 1.15 0.61 0.00 0.00 0.00 173.10 173.91 3hu1 n GLY 208 N 0.76 -0.53 0.58 0.20 0.00 -1.25 -4.79 105.19 100.16 3hu1 n GLY 208 Ca -0.11 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.17 3hu1 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu1 h ARG 210 N 0.10 -0.11 -0.72 0.00 3.08 -1.90 -0.26 114.38 114.58 3hu1 h ARG 210 Ca -0.02 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.12 3hu1 h ARG 210 Cb 1.43 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.46 3hu1 h ARG 210 CO 0.01 -0.07 0.47 -0.22 -1.07 0.00 0.00 179.97 179.09 3hu1 h LYS 211 N -0.11 0.65 0.11 0.04 3.64 -1.99 -1.53 116.57 117.37 3hu1 h LYS 211 Ca 0.18 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.23 3hu1 h LYS 211 Cb 0.38 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3hu1 h LYS 211 CO -0.42 0.43 -1.44 1.96 -2.27 0.00 0.00 179.45 177.71 3hu1 h GLN 212 N 0.67 0.22 -0.06 1.90 7.50 -1.57 -2.66 115.11 121.12 3hu1 h GLN 212 Ca 0.32 -0.38 -0.08 0.00 0.50 0.00 0.00 58.65 59.01 3hu1 h GLN 212 Cb 0.38 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 3hu1 h GLN 212 CO -0.11 1.10 -0.36 -0.07 -1.50 0.00 0.00 178.83 177.89 3hu1 h LEU 213 N 0.06 0.11 -0.53 1.46 3.38 -0.17 -0.95 115.31 118.68 3hu1 h LEU 213 Ca -0.21 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3hu1 h LEU 213 Cb 1.99 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 3hu1 h LEU 213 CO 0.16 0.47 0.18 0.00 0.09 0.00 0.00 178.44 179.34 3hu1 h ALA 214 N 1.54 0.70 -0.43 1.53 0.00 -1.28 -1.53 119.26 119.79 3hu1 h ALA 214 Ca 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3hu1 h ALA 214 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hu1 h ALA 214 CO 0.05 0.34 -0.15 1.96 0.00 0.00 0.00 179.25 181.46 3hu1 h GLN 215 N 0.73 0.80 -0.43 0.00 4.20 -1.10 -1.67 115.11 117.64 3hu1 h GLN 215 Ca 0.17 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 3hu1 h GLN 215 Cb 0.25 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3hu1 h GLN 215 CO -0.01 0.90 -0.14 0.82 -0.67 0.00 0.00 178.83 179.73 3hu1 h ILE 216 N 0.71 1.28 -0.03 2.54 2.04 -0.96 -1.55 117.51 121.54 3hu1 h ILE 216 Ca 0.11 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 3hu1 h ILE 216 Cb 0.64 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3hu1 h ILE 216 CO 0.05 0.43 -0.31 0.11 0.00 0.00 0.00 178.15 178.43 3hu1 h LYS 217 N 0.68 0.05 -0.23 2.37 1.57 -1.08 0.26 116.57 120.19 3hu1 h LYS 217 Ca 0.10 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 3hu1 h LYS 217 Cb 0.69 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 3hu1 h LYS 217 CO 0.05 0.36 -0.29 0.93 -0.57 0.00 0.00 179.45 179.93 3hu1 h GLU 218 N 0.05 0.60 0.00 3.15 5.08 -1.14 0.27 114.58 122.59 3hu1 h GLU 218 Ca 0.01 -0.34 -0.21 0.00 -1.00 0.00 0.00 59.36 57.81 3hu1 h GLU 218 Cb 0.57 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3hu1 h GLU 218 CO 0.04 0.94 -1.67 -1.33 -1.00 0.00 0.00 179.01 175.99 3hu1 n MET 219 N -4.32 0.64 -0.03 2.33 2.81 -0.60 -4.42 117.12 113.53 3hu1 n MET 219 Ca -0.05 0.17 -0.07 0.00 -1.81 0.00 0.00 57.70 55.94 3hu1 n MET 219 Cb 0.46 -1.74 -0.02 0.00 -0.71 0.00 0.00 33.22 31.21 3hu1 n MET 219 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3hu1 n VAL 220 N -2.85 1.10 -0.05 2.03 0.31 0.90 -4.66 118.33 115.11 3hu1 n VAL 220 Ca -0.14 0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.16 3hu1 n VAL 220 Cb 0.91 -1.82 -0.07 0.00 -0.91 0.00 0.00 33.84 31.95 3hu1 n VAL 220 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3hu1 h GLU 221 N -0.43 0.58 -0.46 5.55 4.57 -1.41 -3.25 114.58 119.74 3hu1 h GLU 221 Ca -0.11 -0.41 -0.06 0.00 -1.18 0.00 0.00 59.36 57.60 3hu1 h GLU 221 Cb 0.73 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 3hu1 h GLU 221 CO -0.07 1.03 0.06 1.25 -1.18 0.00 0.00 179.01 180.11 3hu1 h LEU 222 N 0.23 0.75 -0.79 1.64 5.85 -0.68 -2.26 115.31 120.05 3hu1 h LEU 222 Ca -0.01 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3hu1 h LEU 222 Cb 1.06 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3hu1 h LEU 222 CO 0.10 0.83 0.00 -0.65 -0.34 0.00 0.00 178.44 178.37 3hu1 h PRO 223 N 0.64 0.00 0.18 5.25 0.11 -1.77 -0.33 132.00 136.08 3hu1 h PRO 223 Ca 0.14 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.91 3hu1 h PRO 223 Cb 0.41 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.53 3hu1 h PRO 223 CO 0.01 0.00 -1.68 -0.07 -0.21 0.00 0.00 178.00 176.05 3hu1 h LEU 224 N 0.00 0.60 0.20 2.35 3.38 -1.57 -3.10 115.31 117.17 3hu1 h LEU 224 Ca 0.00 -0.93 -0.31 0.00 0.09 0.00 0.00 57.88 56.73 3hu1 h LEU 224 Cb 0.69 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.27 3hu1 h LEU 224 CO 0.00 1.76 -1.38 0.03 0.09 0.00 0.00 178.44 178.94 3hu1 h ARG 225 N 0.04 0.42 -2.17 1.13 2.47 -1.45 -3.39 114.38 111.45 3hu1 h ARG 225 Ca -0.33 -0.73 -0.58 0.00 -1.26 0.00 0.00 59.98 57.08 3hu1 h ARG 225 Cb 2.05 0.27 -0.41 0.00 -1.65 0.00 0.00 29.97 30.23 3hu1 h ARG 225 CO 0.17 1.35 -0.74 0.72 0.56 0.00 0.00 179.97 182.02 3hu1 n HIS 226 N -3.63 2.79 0.27 3.04 8.25 -0.14 -4.91 115.22 120.89 3hu1 n HIS 226 Ca -0.13 -3.99 0.12 0.00 -0.26 0.00 0.00 57.72 53.45 3hu1 n HIS 226 Cb 1.07 -0.50 0.74 0.00 1.12 0.00 0.00 29.99 32.43 3hu1 n HIS 226 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hu1 h PRO 227 N 3.76 0.00 -0.86 -0.41 0.13 -1.72 -2.62 132.00 130.29 3hu1 h PRO 227 Ca 0.15 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.43 3hu1 h PRO 227 Cb 0.68 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.75 3hu1 h PRO 227 CO 0.74 0.09 0.56 0.00 -0.23 0.00 0.00 178.00 179.16 3hu1 h ALA 228 N 1.91 1.91 0.22 -0.56 0.00 -1.90 -1.51 119.26 119.33 3hu1 h ALA 228 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hu1 h ALA 228 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hu1 h ALA 228 CO 0.01 -0.15 -0.10 -0.07 0.00 0.00 0.00 179.25 178.93 3hu1 h LEU 229 N 0.61 -0.25 -0.27 0.00 3.38 -1.85 0.85 115.31 117.78 3hu1 h LEU 229 Ca 0.43 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.23 3hu1 h LEU 229 Cb 0.78 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hu1 h LEU 229 CO -0.19 -0.15 -0.46 -0.26 0.09 0.00 0.00 178.44 177.47 3hu1 h PHE 230 N -0.32 0.99 -0.54 1.13 -1.00 -1.62 -1.85 116.94 113.72 3hu1 h PHE 230 Ca -0.03 -0.34 -0.05 0.00 2.81 0.00 0.00 57.97 60.36 3hu1 h PHE 230 Cb 0.25 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 3hu1 h PHE 230 CO -0.05 1.14 0.15 -0.22 -1.61 0.00 0.00 178.31 177.72 3hu1 h LYS 231 N 0.55 0.82 -0.22 1.51 3.11 -1.27 -1.13 116.57 119.95 3hu1 h LYS 231 Ca 0.02 -0.16 -0.13 0.00 -2.81 0.00 0.00 60.65 57.57 3hu1 h LYS 231 Cb 1.06 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.16 3hu1 h LYS 231 CO 0.10 0.73 -0.36 0.00 -2.81 0.00 0.00 179.45 177.12 3hu1 h ALA 232 N 1.36 0.34 0.00 5.00 0.00 -0.70 -3.13 119.26 122.13 3hu1 h ALA 232 Ca 0.18 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3hu1 h ALA 232 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hu1 h ALA 232 CO -0.00 0.41 -0.37 0.97 0.00 0.00 0.00 179.25 180.25 3hu1 h ILE 233 N 0.32 1.06 0.00 0.00 2.10 -1.31 -3.47 117.51 116.21 3hu1 h ILE 233 Ca 0.02 -1.38 0.00 0.00 1.08 0.00 0.00 64.86 64.57 3hu1 h ILE 233 Cb 0.95 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.47 3hu1 h ILE 233 CO 0.08 0.37 0.00 0.61 -1.08 0.00 0.00 178.15 178.13 3hu1 n GLY 234 N -0.14 1.33 2.95 8.18 0.00 -0.91 -5.11 105.19 111.49 3hu1 n GLY 234 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3hu1 n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hu1 s VAL 235 N -2.00 0.59 0.06 1.61 1.01 -0.47 -5.04 120.40 116.16 3hu1 s VAL 235 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3hu1 s VAL 235 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 3hu1 s VAL 235 CO 0.00 0.21 0.98 -0.54 0.00 0.00 0.00 175.10 175.75 3hu1 s LYS 236 N 0.40 4.63 0.06 2.72 1.02 -1.26 -4.04 119.74 123.27 3hu1 s LYS 236 Ca -0.05 1.46 -0.31 0.00 0.02 0.00 0.00 55.97 57.08 3hu1 s LYS 236 Cb -0.09 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 3hu1 s LYS 236 CO 0.00 0.09 1.27 -1.25 -0.92 0.00 0.00 175.35 174.54 3hu1 s PRO 237 N 0.44 4.38 0.35 -1.68 0.04 -1.26 -4.98 135.00 132.29 3hu1 s PRO 237 Ca 0.49 1.87 -0.27 0.00 0.04 0.00 0.00 61.00 63.14 3hu1 s PRO 237 Cb -0.23 -3.35 -0.12 0.00 0.04 0.00 0.00 34.50 30.84 3hu1 s PRO 237 CO 0.29 -0.35 1.10 -2.30 0.04 0.00 0.00 177.00 175.78 3hu1 n PRO 238 N 4.16 1.61 -0.02 0.56 -0.02 -1.26 -4.94 135.00 135.08 3hu1 n PRO 238 Ca 0.10 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.17 3hu1 n PRO 238 Cb 0.45 -2.06 0.03 0.00 -0.02 0.00 0.00 33.50 31.89 3hu1 n PRO 238 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3hu1 n ARG 239 N 0.49 0.64 -3.51 -0.52 1.85 -1.26 -4.96 116.66 109.38 3hu1 n ARG 239 Ca 0.08 -1.03 -0.16 0.00 -1.00 0.00 0.00 57.85 55.74 3hu1 n ARG 239 Cb 0.35 -1.08 -0.12 0.00 -1.05 0.00 0.00 32.46 30.57 3hu1 n ARG 239 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3hu1 s GLY 240 N -0.53 -0.09 -0.13 2.89 0.00 -1.14 -1.30 107.32 107.01 3hu1 s GLY 240 Ca 0.05 0.53 -0.00 0.00 0.00 0.00 0.00 44.72 45.30 3hu1 s GLY 240 CO 0.05 2.18 -0.12 -0.42 0.00 0.00 0.00 173.10 174.78 3hu1 s ILE 241 N 2.38 3.11 -0.26 0.90 1.09 -0.38 -2.76 121.20 125.28 3hu1 s ILE 241 Ca 0.06 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 58.99 3hu1 s ILE 241 Cb -0.15 -2.31 0.05 0.00 -1.06 0.00 0.00 42.46 38.99 3hu1 s ILE 241 CO -0.12 0.52 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.93 3hu1 s LEU 242 N 0.38 3.39 -0.03 2.97 2.96 0.62 -0.66 118.68 128.31 3hu1 s LEU 242 Ca -0.10 -1.25 -0.23 0.00 -0.22 0.00 0.00 54.13 52.32 3hu1 s LEU 242 Cb -0.16 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3hu1 s LEU 242 CO 0.05 -0.18 0.70 -0.76 -1.32 0.00 0.00 176.35 174.85 3hu1 s LEU 243 N 1.17 4.37 0.17 -0.68 1.43 0.21 -1.04 118.68 124.30 3hu1 s LEU 243 Ca -0.06 1.26 -0.01 0.00 -1.03 0.00 0.00 54.13 54.29 3hu1 s LEU 243 Cb -0.19 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 3hu1 s LEU 243 CO -0.05 -0.05 0.08 -0.72 0.23 0.00 0.00 176.35 175.84 3hu1 s TYR 244 N 0.43 1.04 0.00 0.29 -0.85 -0.58 -1.13 117.35 116.55 3hu1 s TYR 244 Ca 0.37 -1.25 0.00 0.00 -0.52 0.00 0.00 57.07 55.67 3hu1 s TYR 244 Cb -0.19 -0.56 0.00 0.00 0.38 0.00 0.00 41.96 41.60 3hu1 s TYR 244 CO 0.19 -0.51 0.00 0.41 -1.52 0.00 0.00 175.55 174.12 3hu1 n GLY 245 N -0.19 2.11 3.65 5.49 0.00 -1.19 -0.15 105.19 114.92 3hu1 n GLY 245 Ca -0.03 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 3hu1 n GLY 245 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hu1 s PRO 246 N -1.90 0.76 0.19 1.61 0.02 -1.26 -4.22 135.00 130.19 3hu1 s PRO 246 Ca 0.00 1.26 -0.33 0.00 0.02 0.00 0.00 61.00 61.95 3hu1 s PRO 246 Cb 0.00 -1.72 -0.13 0.00 0.02 0.00 0.00 34.50 32.67 3hu1 s PRO 246 CO 0.00 -2.71 1.53 -2.30 -0.33 0.00 0.00 177.00 173.19 3hu1 n PRO 247 N -4.26 2.18 -0.66 5.54 -0.02 -1.26 -3.39 135.00 133.12 3hu1 n PRO 247 Ca 0.09 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3hu1 n PRO 247 Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3hu1 n PRO 247 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hu1 n GLY 248 N 2.98 0.62 0.11 -1.23 0.00 -1.26 -4.94 105.19 101.47 3hu1 n GLY 248 Ca 0.15 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.71 3hu1 n GLY 248 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hu1 h THR 249 N 0.00 0.65 0.00 2.61 1.35 -1.86 -1.29 112.91 114.37 3hu1 h THR 249 Ca 0.00 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 3hu1 h THR 249 Cb 0.00 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3hu1 h THR 249 CO 0.00 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 3hu1 n GLY 250 N 1.34 0.45 0.14 5.82 0.00 -1.26 -4.62 105.19 107.06 3hu1 n GLY 250 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 3hu1 n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hu1 h LYS 251 N 0.00 0.38 -0.19 1.61 1.57 -1.94 0.82 116.57 118.82 3hu1 h LYS 251 Ca 0.00 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 3hu1 h LYS 251 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3hu1 h LYS 251 CO 0.00 0.62 -0.45 1.15 -0.57 0.00 0.00 179.45 180.20 3hu1 h THR 252 N 0.12 1.31 -0.61 -0.16 2.02 -1.99 -0.75 112.91 112.85 3hu1 h THR 252 Ca 0.05 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 3hu1 h THR 252 Cb 0.46 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3hu1 h THR 252 CO 0.02 0.51 0.37 0.25 0.37 0.00 0.00 175.52 177.04 3hu1 h LEU 253 N 0.39 0.73 -0.69 2.58 5.85 -1.93 -0.81 115.31 121.43 3hu1 h LEU 253 Ca 0.03 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 3hu1 h LEU 253 Cb 0.94 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3hu1 h LEU 253 CO 0.08 0.56 0.07 0.40 -0.34 0.00 0.00 178.44 179.21 3hu1 h ILE 254 N 0.82 1.26 -0.38 4.05 2.04 -0.25 -0.13 117.51 124.93 3hu1 h ILE 254 Ca 0.22 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 65.08 3hu1 h ILE 254 Cb -0.03 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 3hu1 h ILE 254 CO -0.04 0.40 -0.06 0.00 0.00 0.00 0.00 178.15 178.45 3hu1 h ALA 255 N 1.06 0.29 -0.72 1.87 0.00 -0.57 0.12 119.26 121.30 3hu1 h ALA 255 Ca 0.19 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3hu1 h ALA 255 Cb 0.48 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3hu1 h ALA 255 CO 0.02 -0.44 0.23 0.00 0.00 0.00 0.00 179.25 179.06 3hu1 h ARG 256 N 0.03 1.11 0.05 0.00 2.47 -0.72 -1.46 114.38 115.87 3hu1 h ARG 256 Ca 0.18 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3hu1 h ARG 256 Cb 0.28 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3hu1 h ARG 256 CO -0.36 0.94 -0.03 0.00 0.56 0.00 0.00 179.97 181.08 3hu1 h ALA 257 N 1.18 -0.07 -0.54 0.04 0.00 -0.17 -1.69 119.26 118.00 3hu1 h ALA 257 Ca 0.23 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hu1 h ALA 257 Cb 0.29 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3hu1 h ALA 257 CO -0.01 -0.46 0.30 0.28 0.00 0.00 0.00 179.25 179.37 3hu1 h VAL 258 N -0.24 1.00 -0.99 0.00 2.07 -0.70 0.25 116.25 117.63 3hu1 h VAL 258 Ca -0.01 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.43 3hu1 h VAL 258 Cb 0.21 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 3hu1 h VAL 258 CO 0.01 0.11 0.62 0.00 0.02 0.00 0.00 177.57 178.33 3hu1 h ALA 259 N 1.27 1.48 0.00 1.67 0.00 -0.83 0.23 119.26 123.09 3hu1 h ALA 259 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hu1 h ALA 259 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hu1 h ALA 259 CO -0.13 0.23 -0.56 0.09 0.00 0.00 0.00 179.25 178.87 3hu1 n ASN 260 N -4.62 0.65 -0.01 0.00 5.03 0.12 -4.24 115.26 112.19 3hu1 n ASN 260 Ca 0.18 0.10 0.07 0.00 0.87 0.00 0.00 54.58 55.80 3hu1 n ASN 260 Cb 0.34 0.12 -0.11 0.00 -1.02 0.00 0.00 39.78 39.10 3hu1 n ASN 260 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3hu1 n GLU 261 N -2.01 0.50 -3.12 3.52 -0.58 0.65 -4.28 120.64 115.32 3hu1 n GLU 261 Ca 0.04 -0.13 -0.32 0.00 -0.42 0.00 0.00 57.16 56.33 3hu1 n GLU 261 Cb 0.42 -1.35 -0.05 0.00 -0.57 0.00 0.00 31.44 29.89 3hu1 n GLU 261 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3hu1 s THR 262 N -3.01 4.75 0.13 2.62 -4.23 -0.44 -4.61 115.64 110.86 3hu1 s THR 262 Ca -0.05 0.78 0.28 0.00 -1.18 0.00 0.00 61.69 61.51 3hu1 s THR 262 Cb 0.10 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.59 3hu1 s THR 262 CO 0.61 -0.25 1.90 1.23 -0.54 0.00 0.00 174.62 177.58 3hu1 h GLY 263 N 2.06 0.00 -1.71 3.99 0.00 -1.95 -3.46 103.07 102.01 3hu1 h GLY 263 Ca -0.48 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.35 3hu1 h GLY 263 CO 0.66 0.00 0.38 0.00 0.00 0.00 0.00 176.54 177.57 3hu1 s ALA 264 N -3.69 2.53 0.19 3.60 0.00 -1.26 -5.02 121.76 118.11 3hu1 s ALA 264 Ca 0.01 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3hu1 s ALA 264 Cb 0.10 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3hu1 s ALA 264 CO 0.60 -1.17 1.31 0.12 0.00 0.00 0.00 175.76 176.62 3hu1 s PHE 265 N -2.36 3.27 -0.10 0.00 5.36 -0.88 -4.92 117.98 118.36 3hu1 s PHE 265 Ca 0.66 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.87 3hu1 s PHE 265 Cb -0.20 -3.60 -0.01 0.00 -0.34 0.00 0.00 43.02 38.87 3hu1 s PHE 265 CO 0.40 -1.88 -0.19 0.12 -1.46 0.00 0.00 175.22 172.21 3hu1 s PHE 266 N 0.24 2.65 -0.15 10.12 5.36 -1.26 -0.71 117.98 134.22 3hu1 s PHE 266 Ca 0.57 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 3hu1 s PHE 266 Cb -0.36 -1.73 0.03 0.00 -0.34 0.00 0.00 43.02 40.62 3hu1 s PHE 266 CO 0.37 -0.22 -0.12 0.12 -1.46 0.00 0.00 175.22 173.91 3hu1 s PHE 267 N 0.10 2.11 -0.02 10.12 2.19 0.52 -4.97 117.98 128.02 3hu1 s PHE 267 Ca -0.09 -1.22 -0.19 0.00 0.33 0.00 0.00 56.93 55.76 3hu1 s PHE 267 Cb -0.15 -1.55 -0.05 0.00 -1.31 0.00 0.00 43.02 39.96 3hu1 s PHE 267 CO 0.06 -0.66 0.54 -1.17 1.83 0.00 0.00 175.22 175.82 3hu1 s LEU 268 N 1.51 4.40 -0.14 6.12 2.96 -1.26 -0.46 118.68 131.81 3hu1 s LEU 268 Ca 0.04 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 3hu1 s LEU 268 Cb -0.13 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.75 3hu1 s LEU 268 CO -0.10 0.12 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.28 3hu1 s ILE 269 N -0.21 1.58 -0.17 6.68 1.01 0.34 -4.93 121.20 125.50 3hu1 s ILE 269 Ca 0.29 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 3hu1 s ILE 269 Cb -0.17 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3hu1 s ILE 269 CO 0.15 0.46 0.38 0.20 0.00 0.00 0.00 174.94 176.13 3hu1 s ASN 270 N 1.36 6.50 0.10 3.58 0.01 -1.26 -0.39 114.94 124.83 3hu1 s ASN 270 Ca 0.02 0.59 -0.23 0.00 -0.71 0.00 0.00 52.86 52.53 3hu1 s ASN 270 Cb -0.13 -2.23 -0.07 0.00 0.41 0.00 0.00 41.25 39.23 3hu1 s ASN 270 CO -0.09 0.01 1.38 1.23 -1.51 0.00 0.00 177.10 178.12 3hu1 h GLY 271 N 7.06 -1.33 1.53 0.66 0.00 -0.56 -1.40 103.07 109.03 3hu1 h GLY 271 Ca -0.39 0.80 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3hu1 h GLY 271 CO 0.74 -0.30 0.26 -2.55 0.00 0.00 0.00 176.54 174.70 3hu1 h PRO 272 N -0.21 0.63 -0.84 4.80 0.11 -1.84 -0.39 132.00 134.27 3hu1 h PRO 272 Ca 0.07 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.16 3hu1 h PRO 272 Cb 0.38 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.31 3hu1 h PRO 272 CO -0.48 0.45 0.55 1.49 -0.21 0.00 0.00 178.00 179.80 3hu1 h GLU 273 N 0.64 1.00 -0.02 1.05 4.22 -1.78 -0.76 114.58 118.92 3hu1 h GLU 273 Ca 0.17 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.53 3hu1 h GLU 273 Cb -0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3hu1 h GLU 273 CO -0.03 0.66 -0.05 0.82 -2.18 0.00 0.00 179.01 178.23 3hu1 h ILE 274 N 1.03 1.48 0.00 2.32 1.08 -0.04 -3.28 117.51 120.10 3hu1 h ILE 274 Ca 0.33 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 3hu1 h ILE 274 Cb 0.05 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 3hu1 h ILE 274 CO -0.10 0.40 0.00 0.23 -0.69 0.00 0.00 178.15 177.99 3hu1 n MET 275 N -4.72 0.00 0.03 2.37 2.81 -0.73 -1.73 117.12 115.15 3hu1 n MET 275 Ca -0.09 0.25 0.13 0.00 -1.81 0.00 0.00 57.70 56.19 3hu1 n MET 275 Cb 0.34 -1.50 0.51 0.00 -0.71 0.00 0.00 33.22 31.86 3hu1 n MET 275 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hu1 n SER 276 N -1.50 0.31 -4.92 7.83 3.41 -0.33 -4.92 113.62 113.50 3hu1 n SER 276 Ca 0.03 0.46 -0.26 0.00 -0.26 0.00 0.00 58.87 58.84 3hu1 n SER 276 Cb 0.16 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 3hu1 n SER 276 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hu1 s LYS 277 N -3.04 3.52 0.52 4.33 1.02 -0.71 -5.07 119.74 120.33 3hu1 s LYS 277 Ca 0.12 -0.05 -0.21 0.00 0.02 0.00 0.00 55.97 55.85 3hu1 s LYS 277 Cb 0.17 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 3hu1 s LYS 277 CO 0.57 -0.02 1.01 1.28 -0.92 0.00 0.00 175.35 177.27 3hu1 n LEU 278 N -1.95 3.33 -4.68 3.17 4.77 -1.26 -4.70 117.00 115.66 3hu1 n LEU 278 Ca -0.02 0.92 -0.52 0.00 -0.03 0.00 0.00 56.01 56.36 3hu1 n LEU 278 Cb 0.55 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.20 3hu1 n LEU 278 CO 0.51 -1.60 1.35 0.00 -1.33 0.00 0.00 177.39 176.31 3hu1 n ALA 279 N -1.13 0.36 0.00 -1.18 0.00 -1.26 -2.08 120.51 115.22 3hu1 n ALA 279 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3hu1 n ALA 279 Cb 0.44 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3hu1 n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu1 n GLY 280 N 4.07 2.49 0.32 0.00 0.00 -1.26 -4.74 105.19 106.07 3hu1 n GLY 280 Ca 0.23 -0.53 0.16 0.00 0.00 0.00 0.00 46.02 45.88 3hu1 n GLY 280 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hu1 h GLU 281 N 0.00 0.00 -0.03 1.61 4.81 -1.80 0.17 114.58 119.34 3hu1 h GLU 281 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 3hu1 h GLU 281 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 3hu1 h GLU 281 CO 0.00 0.00 -0.54 0.66 -0.73 0.00 0.00 179.01 178.40 3hu1 h SER 282 N 0.00 0.54 -0.50 1.04 4.64 -1.70 -2.81 113.55 114.76 3hu1 h SER 282 Ca 0.06 -0.72 -0.03 0.00 -0.47 0.00 0.00 61.79 60.63 3hu1 h SER 282 Cb 0.33 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 3hu1 h SER 282 CO -0.00 1.18 0.23 -0.33 -0.87 0.00 0.00 176.83 177.04 3hu1 h GLU 283 N -0.05 0.77 -0.52 4.77 3.07 -1.56 -2.13 114.58 118.93 3hu1 h GLU 283 Ca -0.06 -0.11 0.01 0.00 -0.50 0.00 0.00 59.36 58.71 3hu1 h GLU 283 Cb 1.23 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 3hu1 h GLU 283 CO 0.11 0.63 0.33 1.03 -1.40 0.00 0.00 179.01 179.71 3hu1 h SER 284 N 0.77 0.57 0.40 1.42 0.87 -0.80 -1.85 113.55 114.92 3hu1 h SER 284 Ca 0.19 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 3hu1 h SER 284 Cb 0.13 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3hu1 h SER 284 CO -0.02 0.41 -0.45 0.78 -0.53 0.00 0.00 176.83 177.02 3hu1 h ASN 285 N 0.68 0.07 -0.30 6.23 -0.26 -1.13 0.95 115.58 121.83 3hu1 h ASN 285 Ca 0.20 -0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.86 3hu1 h ASN 285 Cb -0.04 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 3hu1 h ASN 285 CO -0.06 0.51 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.74 3hu1 h LEU 286 N 0.05 0.52 -0.32 1.61 3.38 -1.27 -2.09 115.31 117.20 3hu1 h LEU 286 Ca 0.00 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3hu1 h LEU 286 Cb 0.81 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hu1 h LEU 286 CO 0.06 0.71 0.14 0.03 0.09 0.00 0.00 178.44 179.47 3hu1 h ARG 287 N 0.32 0.47 -0.47 1.13 3.08 -1.14 -2.96 114.38 114.80 3hu1 h ARG 287 Ca 0.08 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3hu1 h ARG 287 Cb 0.45 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3hu1 h ARG 287 CO 0.02 0.46 0.31 -0.22 -1.07 0.00 0.00 179.97 179.47 3hu1 h LYS 288 N 0.37 0.55 -0.32 0.04 1.63 -0.82 0.19 116.57 118.21 3hu1 h LYS 288 Ca 0.11 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3hu1 h LYS 288 Cb 0.15 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 3hu1 h LYS 288 CO -0.01 0.36 0.15 0.00 -3.45 0.00 0.00 179.45 176.50 3hu1 h ALA 289 N 1.72 0.42 0.03 5.00 0.00 -1.31 -1.19 119.26 123.92 3hu1 h ALA 289 Ca 0.19 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 3hu1 h ALA 289 Cb 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hu1 h ALA 289 CO -0.05 -0.01 -1.09 0.74 0.00 0.00 0.00 179.25 178.85 3hu1 h PHE 290 N 0.38 1.03 -0.80 0.00 -1.00 -0.98 -1.22 116.94 114.37 3hu1 h PHE 290 Ca 0.11 -0.58 -0.02 0.00 2.81 0.00 0.00 57.97 60.29 3hu1 h PHE 290 Cb 0.14 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 3hu1 h PHE 290 CO -0.01 1.42 0.41 0.93 -1.61 0.00 0.00 178.31 179.45 3hu1 h GLU 291 N 0.37 1.12 -0.50 1.51 5.08 -1.05 -0.57 114.58 120.55 3hu1 h GLU 291 Ca -0.14 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 3hu1 h GLU 291 Cb 1.75 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 3hu1 h GLU 291 CO 0.21 0.84 -0.04 1.49 -1.00 0.00 0.00 179.01 180.52 3hu1 h GLU 292 N 1.12 0.91 -0.22 2.33 4.57 -1.03 -0.84 114.58 121.42 3hu1 h GLU 292 Ca 0.28 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3hu1 h GLU 292 Cb 0.07 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3hu1 h GLU 292 CO -0.04 0.96 -0.01 0.00 -1.18 0.00 0.00 179.01 178.74 3hu1 h ALA 293 N 0.92 0.29 -0.94 2.92 0.00 -1.05 -2.16 119.26 119.23 3hu1 h ALA 293 Ca 0.14 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hu1 h ALA 293 Cb 0.57 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3hu1 h ALA 293 CO 0.03 0.02 0.60 0.93 0.00 0.00 0.00 179.25 180.84 3hu1 h GLU 294 N 0.14 1.07 -0.36 0.00 5.08 -1.03 -2.93 114.58 116.55 3hu1 h GLU 294 Ca 0.06 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3hu1 h GLU 294 Cb 0.42 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hu1 h GLU 294 CO 0.01 0.71 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.20 3hu1 h LYS 295 N 1.10 0.78 -4.30 2.33 3.64 -1.06 -3.41 116.57 115.66 3hu1 h LYS 295 Ca 0.41 -0.36 -0.74 0.00 -1.27 0.00 0.00 60.65 58.69 3hu1 h LYS 295 Cb 0.15 -0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 31.71 3hu1 h LYS 295 CO -0.17 0.99 -0.35 -0.80 -2.27 0.00 0.00 179.45 176.85 3hu1 s ASN 296 N -6.80 5.96 0.52 4.20 -0.87 -0.82 -5.05 114.94 112.07 3hu1 s ASN 296 Ca -0.09 -1.55 0.00 0.00 -1.57 0.00 0.00 52.86 49.65 3hu1 s ASN 296 Cb 0.12 -2.12 0.00 0.00 -0.02 0.00 0.00 41.25 39.24 3hu1 s ASN 296 CO 0.85 -0.67 0.00 0.00 -2.57 0.00 0.00 177.10 174.71 3hu1 n ALA 297 N 5.10 -1.40 -1.62 0.60 0.00 -1.26 -4.28 120.51 117.64 3hu1 n ALA 297 Ca -0.12 0.14 -0.48 0.00 0.00 0.00 0.00 53.44 52.99 3hu1 n ALA 297 Cb 0.42 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 3hu1 n ALA 297 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hu1 n PRO 298 N -2.21 1.56 -4.01 0.00 -0.01 -1.26 -4.85 135.00 124.22 3hu1 n PRO 298 Ca 0.00 0.56 -0.09 0.00 -0.01 0.00 0.00 63.50 63.97 3hu1 n PRO 298 Cb 0.21 -2.17 -0.11 0.00 -0.01 0.00 0.00 33.50 31.42 3hu1 n PRO 298 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3hu1 s ALA 299 N 0.15 0.23 -0.14 3.55 0.00 -0.80 -2.07 121.76 122.68 3hu1 s ALA 299 Ca 0.75 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.98 3hu1 s ALA 299 Cb -0.79 0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3hu1 s ALA 299 CO 0.48 -0.21 -0.20 0.42 0.00 0.00 0.00 175.76 176.25 3hu1 s ILE 300 N -2.07 2.27 -0.25 0.00 1.01 0.11 -1.92 121.20 120.36 3hu1 s ILE 300 Ca -0.10 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 3hu1 s ILE 300 Cb -0.06 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3hu1 s ILE 300 CO -0.03 0.54 0.07 -0.63 0.00 0.00 0.00 174.94 174.89 3hu1 s ILE 301 N 0.72 4.32 -0.35 2.92 1.01 -0.64 -0.35 121.20 128.83 3hu1 s ILE 301 Ca -0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 3hu1 s ILE 301 Cb -0.16 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.34 3hu1 s ILE 301 CO 0.01 0.34 0.12 0.12 0.00 0.00 0.00 174.94 175.53 3hu1 s PHE 302 N 1.57 3.27 -0.70 3.97 5.36 0.39 0.98 117.98 132.81 3hu1 s PHE 302 Ca 0.06 -1.42 -0.19 0.00 -0.96 0.00 0.00 56.93 54.42 3hu1 s PHE 302 Cb -0.15 -2.36 0.12 0.00 -0.34 0.00 0.00 43.02 40.29 3hu1 s PHE 302 CO 0.04 -0.74 0.84 0.42 -1.46 0.00 0.00 175.22 174.31 3hu1 s ILE 303 N 1.41 4.84 0.12 3.12 1.01 0.64 -0.50 121.20 131.83 3hu1 s ILE 303 Ca -0.01 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.12 3hu1 s ILE 303 Cb -0.20 -4.58 -0.06 0.00 0.01 0.00 0.00 42.46 37.63 3hu1 s ILE 303 CO 0.03 -1.24 0.93 -0.62 0.00 0.00 0.00 174.94 174.03 3hu1 s ASP 304 N 3.45 7.47 -1.11 3.58 2.15 0.48 -2.13 116.67 130.57 3hu1 s ASP 304 Ca 0.18 1.76 -0.05 0.00 0.43 0.00 0.00 52.55 54.87 3hu1 s ASP 304 Cb -0.17 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.83 3hu1 s ASP 304 CO 0.01 -0.02 0.92 -0.62 -0.17 0.00 0.00 175.17 175.30 3hu1 n GLU 305 N 2.59 -3.42 -0.35 4.34 1.02 -0.63 0.06 120.64 124.25 3hu1 n GLU 305 Ca 0.01 0.83 0.09 0.00 -0.02 0.00 0.00 57.16 58.06 3hu1 n GLU 305 Cb 0.49 -5.70 0.27 0.00 -0.02 0.00 0.00 31.44 26.47 3hu1 n GLU 305 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hu1 h LEU 306 N -1.38 0.88 -2.08 -4.62 5.85 -1.47 -2.07 115.31 110.43 3hu1 h LEU 306 Ca -0.61 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.24 3hu1 h LEU 306 Cb 1.32 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3hu1 h LEU 306 CO 0.46 0.44 0.34 -2.24 -0.34 0.00 0.00 178.44 177.11 3hu1 h ASP 307 N 0.93 0.00 -0.62 1.25 3.04 -1.86 -0.84 116.42 118.32 3hu1 h ASP 307 Ca 0.51 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 54.28 3hu1 h ASP 307 Cb 0.58 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.84 3hu1 h ASP 307 CO -0.28 0.00 0.30 0.00 -2.04 0.00 0.00 179.24 177.22 3hu1 h ALA 308 N 1.55 0.80 0.00 4.15 0.00 -1.74 -3.29 119.26 120.72 3hu1 h ALA 308 Ca 0.12 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 3hu1 h ALA 308 Cb 0.81 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3hu1 h ALA 308 CO -0.00 0.36 -2.03 0.44 0.00 0.00 0.00 179.25 178.01 3hu1 n ILE 309 N -4.51 1.43 -3.04 0.00 -5.35 -0.44 -4.69 119.36 102.76 3hu1 n ILE 309 Ca 0.04 -0.81 -0.24 0.00 -0.27 0.00 0.00 62.75 61.47 3hu1 n ILE 309 Cb 0.12 -0.71 -0.04 0.00 -1.74 0.00 0.00 39.64 37.28 3hu1 n ILE 309 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hu1 n ALA 310 N -2.63 3.82 -1.93 -1.28 0.00 -0.53 -4.17 120.51 113.78 3hu1 n ALA 310 Ca -0.24 -4.30 -0.29 0.00 0.00 0.00 0.00 53.44 48.61 3hu1 n ALA 310 Cb 1.08 -0.80 0.17 0.00 0.00 0.00 0.00 19.45 19.90 3hu1 n ALA 310 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hu1 s PRO 311 N -3.08 0.89 -0.42 0.00 0.04 -1.24 -2.41 135.00 128.77 3hu1 s PRO 311 Ca 0.46 -0.38 -0.27 0.00 0.04 0.00 0.00 61.00 60.85 3hu1 s PRO 311 Cb 0.29 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 3hu1 s PRO 311 CO -0.12 -2.24 2.02 0.15 0.04 0.00 0.00 177.00 176.85 3hu1 s LYS 312 N -5.80 2.84 0.45 4.56 1.02 -0.97 -3.83 119.74 118.01 3hu1 s LYS 312 Ca 0.72 1.30 0.34 0.00 0.02 0.00 0.00 55.97 58.34 3hu1 s LYS 312 Cb -0.05 -4.36 1.51 0.00 -0.52 0.00 0.00 37.83 34.41 3hu1 s LYS 312 CO 0.52 -2.45 1.58 0.00 -0.92 0.00 0.00 175.35 174.08 3hu1 h ARG 313 N 15.27 0.01 -0.92 1.68 3.08 -1.93 0.52 114.38 132.10 3hu1 h ARG 313 Ca -0.31 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.81 3hu1 h ARG 313 Cb 1.20 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.19 3hu1 h ARG 313 CO 1.10 0.01 0.60 1.05 -1.07 0.00 0.00 179.97 181.66 3hu1 h GLU 314 N 0.01 1.03 -2.34 0.04 4.11 -2.02 -3.32 114.58 112.08 3hu1 h GLU 314 Ca 0.88 -0.06 -0.60 0.00 0.07 0.00 0.00 59.36 59.65 3hu1 h GLU 314 Cb 2.89 -0.23 -0.41 0.00 0.50 0.00 0.00 28.75 31.49 3hu1 h GLU 314 CO -0.43 0.68 -0.67 1.17 0.07 0.00 0.00 179.01 179.84 3hu1 n LYS 315 N -4.49 2.08 -3.65 1.06 4.81 0.18 -5.00 118.16 113.15 3hu1 n LYS 315 Ca 0.14 -4.40 -0.03 0.00 -0.87 0.00 0.00 58.31 53.15 3hu1 n LYS 315 Cb 0.19 -2.11 -0.05 0.00 0.02 0.00 0.00 35.03 33.07 3hu1 n LYS 315 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 3hu1 s THR 316 N -2.03 -0.79 0.10 3.15 -1.32 -1.24 -4.60 115.64 108.91 3hu1 s THR 316 Ca 0.36 0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.72 3hu1 s THR 316 Cb 0.11 -0.93 -0.08 0.00 -1.51 0.00 0.00 72.50 70.09 3hu1 s THR 316 CO -0.06 0.01 1.44 0.45 -2.21 0.00 0.00 174.62 174.25 3hu1 h HIS 317 N 7.89 0.81 -3.90 9.09 3.86 -1.94 -3.46 115.15 127.50 3hu1 h HIS 317 Ca -0.20 -0.23 -0.47 0.00 -1.16 0.00 0.00 60.37 58.32 3hu1 h HIS 317 Cb 1.12 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 3hu1 h HIS 317 CO 0.17 0.95 0.27 0.20 0.86 0.00 0.00 177.93 180.38 3hu1 s GLY 318 N -3.61 2.50 0.10 2.45 0.00 -1.26 -5.00 107.32 102.51 3hu1 s GLY 318 Ca -0.13 0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.79 3hu1 s GLY 318 CO 0.82 0.64 1.35 0.83 0.00 0.00 0.00 173.10 176.74 3hu1 h GLU 319 N 2.44 0.79 -0.79 2.90 5.08 -2.00 -2.47 114.58 120.53 3hu1 h GLU 319 Ca -0.48 -0.55 0.03 0.00 -1.00 0.00 0.00 59.36 57.36 3hu1 h GLU 319 Cb 1.18 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 3hu1 h GLU 319 CO 0.63 1.17 0.52 0.28 -1.00 0.00 0.00 179.01 180.61 3hu1 h VAL 320 N 0.53 1.13 -0.41 3.13 2.07 -1.98 0.63 116.25 121.36 3hu1 h VAL 320 Ca -0.01 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 3hu1 h VAL 320 Cb 1.19 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3hu1 h VAL 320 CO 0.12 0.18 -0.12 -0.33 0.02 0.00 0.00 177.57 177.44 3hu1 h GLU 321 N 0.98 0.80 -0.36 1.57 5.08 -1.94 -0.82 114.58 119.89 3hu1 h GLU 321 Ca 0.31 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 3hu1 h GLU 321 Cb 0.02 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3hu1 h GLU 321 CO -0.09 0.94 -0.30 0.00 -1.00 0.00 0.00 179.01 178.56 3hu1 h ARG 322 N 0.61 0.77 -0.65 2.33 3.08 -1.04 -3.00 114.38 116.48 3hu1 h ARG 322 Ca 0.10 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3hu1 h ARG 322 Cb 0.66 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3hu1 h ARG 322 CO 0.05 0.98 0.29 -0.09 -1.07 0.00 0.00 179.97 180.12 3hu1 h ARG 323 N 0.66 0.94 -0.16 0.04 2.43 -0.54 -2.83 114.38 114.92 3hu1 h ARG 323 Ca 0.07 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3hu1 h ARG 323 Cb 0.84 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3hu1 h ARG 323 CO 0.07 0.75 0.05 0.82 -1.51 0.00 0.00 179.97 180.15 3hu1 h ILE 324 N 0.93 1.18 -0.84 1.20 5.03 -1.02 0.20 117.51 124.20 3hu1 h ILE 324 Ca 0.22 -0.54 0.07 0.00 -0.12 0.00 0.00 64.86 64.50 3hu1 h ILE 324 Cb 0.13 1.24 -0.07 0.00 -3.03 0.00 0.00 36.82 35.10 3hu1 h ILE 324 CO -0.03 0.17 0.50 0.58 -0.68 0.00 0.00 178.15 178.69 3hu1 h VAL 325 N 0.08 0.99 -0.60 1.67 2.07 -1.47 -1.24 116.25 117.75 3hu1 h VAL 325 Ca 0.05 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3hu1 h VAL 325 Cb 0.21 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3hu1 h VAL 325 CO -0.00 0.16 0.02 0.28 0.02 0.00 0.00 177.57 178.05 3hu1 h SER 326 N 0.89 1.01 -0.91 0.57 0.02 -1.26 -1.91 113.55 111.96 3hu1 h SER 326 Ca 0.38 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3hu1 h SER 326 Cb 0.24 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 3hu1 h SER 326 CO -0.20 1.05 0.58 -0.61 -1.14 0.00 0.00 176.83 176.51 3hu1 h GLN 327 N 0.96 1.08 -0.02 3.45 5.75 -0.12 -1.93 115.11 124.27 3hu1 h GLN 327 Ca 0.18 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3hu1 h GLN 327 Cb 0.52 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 3hu1 h GLN 327 CO 0.03 0.71 -0.02 1.25 -2.65 0.00 0.00 178.83 178.15 3hu1 h LEU 328 N 1.11 0.05 -0.73 -2.39 5.85 -0.92 -2.59 115.31 115.70 3hu1 h LEU 328 Ca 0.37 -0.50 0.12 0.00 0.84 0.00 0.00 57.88 58.72 3hu1 h LEU 328 Cb 0.06 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 3hu1 h LEU 328 CO -0.14 0.54 0.32 -0.07 -0.34 0.00 0.00 178.44 178.75 3hu1 h LEU 329 N -0.44 0.35 -0.52 2.25 3.38 -1.22 -0.36 115.31 118.75 3hu1 h LEU 329 Ca 0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hu1 h LEU 329 Cb 0.52 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3hu1 h LEU 329 CO 0.00 0.17 0.35 0.74 0.09 0.00 0.00 178.44 179.79 3hu1 h THR 330 N 0.50 1.13 -0.48 0.22 2.02 -1.33 -2.62 112.91 112.36 3hu1 h THR 330 Ca 0.38 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 3hu1 h THR 330 Cb 0.51 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3hu1 h THR 330 CO -0.35 0.13 0.11 -0.07 0.37 0.00 0.00 175.52 175.72 3hu1 h LEU 331 N 0.71 0.73 -1.12 2.58 3.38 -0.79 0.18 115.31 120.98 3hu1 h LEU 331 Ca 0.19 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3hu1 h LEU 331 Cb -0.08 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.40 3hu1 h LEU 331 CO -0.04 0.78 0.61 0.24 0.09 0.00 0.00 178.44 180.11 3hu1 h MET 332 N 0.66 0.88 0.00 1.13 2.86 -1.02 -1.27 114.93 118.16 3hu1 h MET 332 Ca 0.15 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3hu1 h MET 332 Cb 0.33 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3hu1 h MET 332 CO 0.00 0.58 -0.67 -0.25 1.06 0.00 0.00 176.91 177.64 3hu1 n ASP 333 N -4.58 0.65 0.07 1.22 8.00 -0.87 -4.12 116.55 116.91 3hu1 n ASP 333 Ca 0.18 0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.65 3hu1 n ASP 333 Cb 0.36 0.28 0.17 0.00 -0.02 0.00 0.00 41.12 41.91 3hu1 n ASP 333 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3hu1 h GLY 334 N 4.60 0.33 -5.36 0.44 0.00 0.54 -3.42 103.07 100.19 3hu1 h GLY 334 Ca 0.00 -0.34 -0.56 0.00 0.00 0.00 0.00 47.33 46.43 3hu1 h GLY 334 CO 0.00 0.31 1.03 1.08 0.00 0.00 0.00 176.54 178.96 3hu1 s LEU 335 N -8.20 4.19 0.82 3.11 1.43 -1.03 -5.03 118.68 113.97 3hu1 s LEU 335 Ca -0.05 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 3hu1 s LEU 335 Cb 0.13 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.90 3hu1 s LEU 335 CO 0.79 -0.92 1.13 -0.54 0.23 0.00 0.00 176.35 177.03 3hu1 s LYS 336 N 3.95 1.90 0.17 1.70 1.02 -1.26 -4.98 119.74 122.23 3hu1 s LYS 336 Ca 0.66 0.39 -0.18 0.00 0.02 0.00 0.00 55.97 56.86 3hu1 s LYS 336 Cb -0.27 -1.92 0.10 0.00 -0.52 0.00 0.00 37.83 35.22 3hu1 s LYS 336 CO 0.24 -1.69 1.65 1.96 -0.92 0.00 0.00 175.35 176.58 3hu1 h GLN 337 N -1.14 -0.06 -0.02 1.68 1.08 -1.98 -2.61 115.11 112.06 3hu1 h GLN 337 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3hu1 h GLN 337 Cb 1.30 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 3hu1 h GLN 337 CO 0.62 -0.04 0.00 2.89 -0.95 0.00 0.00 178.83 181.35 3hu1 n ARG 338 N -5.35 0.47 0.12 1.46 -4.01 -1.26 -2.78 116.66 105.31 3hu1 n ARG 338 Ca 0.02 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.82 3hu1 n ARG 338 Cb 0.26 -1.01 0.09 0.00 -3.04 0.00 0.00 32.46 28.75 3hu1 n ARG 338 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3hu1 h ALA 339 N 1.91 0.75 -6.19 2.89 0.00 -1.85 -3.48 119.26 113.29 3hu1 h ALA 339 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 54.91 53.85 3hu1 h ALA 339 Cb 0.01 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 17.74 3hu1 h ALA 339 CO 0.00 0.86 -0.88 0.72 0.00 0.00 0.00 179.25 179.95 3hu1 n HIS 340 N -3.55 -1.88 -3.97 0.00 8.25 -1.12 -4.79 115.22 108.16 3hu1 n HIS 340 Ca -0.00 0.70 -0.26 0.00 -0.26 0.00 0.00 57.72 57.90 3hu1 n HIS 340 Cb 0.71 -3.92 -0.17 0.00 1.12 0.00 0.00 29.99 27.73 3hu1 n HIS 340 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hu1 s VAL 341 N -3.66 0.91 -0.14 1.59 1.01 -1.26 -1.91 120.40 116.93 3hu1 s VAL 341 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3hu1 s VAL 341 Cb -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3hu1 s VAL 341 CO 0.84 0.34 -0.03 -0.63 0.00 0.00 0.00 175.10 175.62 3hu1 s ILE 342 N 1.60 4.00 -0.26 2.22 -1.09 -0.81 -4.94 121.20 121.92 3hu1 s ILE 342 Ca 0.02 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 58.01 3hu1 s ILE 342 Cb -0.13 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 3hu1 s ILE 342 CO -0.06 0.52 0.14 -0.69 -1.23 0.00 0.00 174.94 173.62 3hu1 s VAL 343 N 0.05 4.95 0.02 2.92 1.01 -0.42 -1.62 120.40 127.32 3hu1 s VAL 343 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 3hu1 s VAL 343 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3hu1 s VAL 343 CO 0.02 0.31 0.11 -0.04 0.00 0.00 0.00 175.10 175.50 3hu1 s MET 344 N 1.53 3.14 -0.02 2.72 -1.94 0.27 -1.25 119.30 123.75 3hu1 s MET 344 Ca 0.07 -0.49 -0.09 0.00 -1.71 0.00 0.00 55.69 53.47 3hu1 s MET 344 Cb -0.15 -2.90 0.01 0.00 2.01 0.00 0.00 34.83 33.80 3hu1 s MET 344 CO 0.07 0.63 0.19 0.00 -0.01 0.00 0.00 175.02 175.90 3hu1 s ALA 345 N -1.30 -0.47 -0.03 3.03 0.00 0.17 -0.26 121.76 122.90 3hu1 s ALA 345 Ca 0.26 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.44 3hu1 s ALA 345 Cb -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3hu1 s ALA 345 CO 0.18 -0.19 -0.20 0.00 0.00 0.00 0.00 175.76 175.56 3hu1 s ALA 346 N -0.95 1.67 0.01 0.00 0.00 -0.91 0.66 121.76 122.24 3hu1 s ALA 346 Ca -0.10 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 3hu1 s ALA 346 Cb -0.05 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3hu1 s ALA 346 CO 0.02 0.36 0.32 -0.08 0.00 0.00 0.00 175.76 176.37 3hu1 s THR 347 N -0.25 0.06 -2.31 0.00 -1.32 -0.28 -1.61 115.64 109.94 3hu1 s THR 347 Ca 0.02 -0.53 0.19 0.00 -1.21 0.00 0.00 61.69 60.15 3hu1 s THR 347 Cb -0.10 -0.74 0.14 0.00 -1.51 0.00 0.00 72.50 70.29 3hu1 s THR 347 CO 0.01 -0.29 1.08 -0.46 -2.21 0.00 0.00 174.62 172.75 3hu1 n ASN 348 N 1.02 2.51 -3.28 8.08 0.23 -1.26 -3.14 115.26 119.42 3hu1 n ASN 348 Ca -0.20 -1.76 -0.25 0.00 -0.53 0.00 0.00 54.58 51.84 3hu1 n ASN 348 Cb 0.57 0.03 -0.08 0.00 -2.08 0.00 0.00 39.78 38.22 3hu1 n ASN 348 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3hu1 n ARG 349 N 0.98 0.57 0.27 -3.83 1.85 -1.26 -4.72 116.66 110.52 3hu1 n ARG 349 Ca 0.11 -3.25 0.10 0.00 -1.00 0.00 0.00 57.85 53.81 3hu1 n ARG 349 Cb 0.46 -1.42 0.71 0.00 -1.05 0.00 0.00 32.46 31.16 3hu1 n ARG 349 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3hu1 h PRO 350 N 4.63 0.00 0.00 2.89 0.13 -1.95 -2.40 132.00 135.31 3hu1 h PRO 350 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3hu1 h PRO 350 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3hu1 h PRO 350 CO 0.44 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.33 3hu1 n ASN 351 N -4.26 0.00 -1.08 1.44 3.02 -1.26 -2.49 115.26 110.63 3hu1 n ASN 351 Ca -0.03 0.24 0.12 0.00 -0.03 0.00 0.00 54.58 54.88 3hu1 n ASN 351 Cb 0.11 -0.40 0.22 0.00 -0.61 0.00 0.00 39.78 39.10 3hu1 n ASN 351 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hu1 n SER 352 N -1.40 3.26 -4.78 6.41 3.41 -0.90 -4.92 113.62 114.69 3hu1 n SER 352 Ca 0.09 -1.97 -0.39 0.00 -0.26 0.00 0.00 58.87 56.34 3hu1 n SER 352 Cb 0.25 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 3hu1 n SER 352 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hu1 s ILE 353 N -1.58 4.81 -0.20 -1.33 1.01 -1.04 -2.29 121.20 120.57 3hu1 s ILE 353 Ca 0.37 1.27 -0.40 0.00 0.00 0.00 0.00 60.65 61.90 3hu1 s ILE 353 Cb 0.22 -3.94 -0.16 0.00 0.01 0.00 0.00 42.46 38.59 3hu1 s ILE 353 CO 0.31 0.47 1.64 -0.67 0.00 0.00 0.00 174.94 176.69 3hu1 n ASP 354 N 2.30 2.13 0.21 3.58 -0.08 -1.01 -4.69 116.55 118.99 3hu1 n ASP 354 Ca -0.08 1.09 0.14 0.00 -1.51 0.00 0.00 54.79 54.43 3hu1 n ASP 354 Cb 0.51 -1.14 0.75 0.00 2.34 0.00 0.00 41.12 43.58 3hu1 n ASP 354 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hu1 h PRO 355 N 6.46 0.00 -0.60 -0.67 0.11 -1.94 -1.90 132.00 133.46 3hu1 h PRO 355 Ca -0.47 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.79 3hu1 h PRO 355 Cb 1.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 3hu1 h PRO 355 CO 0.92 0.00 0.42 0.00 -0.21 0.00 0.00 178.00 179.12 3hu1 h ALA 356 N 1.90 2.35 0.00 -0.75 0.00 -1.99 0.66 119.26 121.43 3hu1 h ALA 356 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hu1 h ALA 356 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hu1 h ALA 356 CO -0.00 -0.51 0.00 -0.07 0.00 0.00 0.00 179.25 178.67 3hu1 h LEU 357 N 0.15 0.00 -3.01 0.00 3.38 -1.71 -3.11 115.31 111.00 3hu1 h LEU 357 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3hu1 h LEU 357 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3hu1 h LEU 357 CO -0.04 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.03 3hu1 n ARG 358 N -2.82 3.34 -1.88 1.13 1.74 0.22 -0.81 116.66 117.58 3hu1 n ARG 358 Ca 0.04 -2.75 -0.30 0.00 -0.77 0.00 0.00 57.85 54.07 3hu1 n ARG 358 Cb 0.46 -1.74 0.07 0.00 -1.02 0.00 0.00 32.46 30.22 3hu1 n ARG 358 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hu1 s ARG 359 N -1.57 2.36 0.12 5.56 3.00 -1.16 -4.46 118.95 122.80 3hu1 s ARG 359 Ca 0.48 0.28 -0.34 0.00 0.00 0.00 0.00 55.73 56.15 3hu1 s ARG 359 Cb 0.29 -1.98 -0.14 0.00 0.00 0.00 0.00 34.95 33.12 3hu1 s ARG 359 CO 0.26 -1.35 1.59 0.34 0.00 0.00 0.00 175.30 176.13 3hu1 n PHE 360 N -3.19 2.19 0.00 -0.53 7.35 -1.26 -2.12 117.46 119.91 3hu1 n PHE 360 Ca 0.07 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 3hu1 n PHE 360 Cb 0.59 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.89 3hu1 n PHE 360 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hu1 n GLY 361 N 3.43 3.12 0.00 7.13 0.00 -1.26 -4.97 105.19 112.64 3hu1 n GLY 361 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hu1 n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hu1 n ARG 362 N -2.00 0.00 -2.11 1.61 1.74 -0.90 -4.73 116.66 110.27 3hu1 n ARG 362 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3hu1 n ARG 362 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3hu1 n ARG 362 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hu1 n PHE 363 N 0.00 2.89 0.70 -1.55 3.72 0.01 -2.89 117.46 120.34 3hu1 n PHE 363 Ca 0.00 -2.84 0.05 0.00 -0.05 0.00 0.00 57.45 54.61 3hu1 n PHE 363 Cb 0.00 -2.04 0.16 0.00 -0.94 0.00 0.00 39.48 36.66 3hu1 n PHE 363 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3hu1 n ASP 364 N 3.66 2.19 -3.83 4.37 3.85 -1.13 -4.51 116.55 121.15 3hu1 n ASP 364 Ca 0.49 -2.14 -0.14 0.00 -0.71 0.00 0.00 54.79 52.29 3hu1 n ASP 364 Cb 0.33 -0.34 -0.15 0.00 -1.35 0.00 0.00 41.12 39.61 3hu1 n ASP 364 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3hu1 s ARG 365 N -1.63 0.06 -0.06 0.11 1.81 -1.11 -5.00 118.95 113.12 3hu1 s ARG 365 Ca 0.23 0.08 0.05 0.00 -1.72 0.00 0.00 55.73 54.36 3hu1 s ARG 365 Cb 0.14 -0.20 -0.00 0.00 -0.45 0.00 0.00 34.95 34.43 3hu1 s ARG 365 CO 0.12 -0.08 -0.21 -1.21 -0.68 0.00 0.00 175.30 173.24 3hu1 s GLU 366 N 0.58 2.29 -0.24 3.54 2.02 -1.26 -0.28 118.70 125.35 3hu1 s GLU 366 Ca -0.05 -0.76 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 3hu1 s GLU 366 Cb -0.07 -1.91 0.03 0.00 0.10 0.00 0.00 34.13 32.28 3hu1 s GLU 366 CO -0.01 0.27 -0.09 0.08 0.02 0.00 0.00 175.26 175.53 3hu1 s VAL 367 N 0.05 2.61 -0.71 2.63 1.01 -0.21 -4.92 120.40 120.86 3hu1 s VAL 367 Ca -0.07 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.51 3hu1 s VAL 367 Cb -0.14 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.95 3hu1 s VAL 367 CO 0.04 0.20 1.17 -0.62 0.00 0.00 0.00 175.10 175.89 3hu1 s ASP 368 N 1.27 6.17 -1.28 3.32 2.15 -1.26 -1.52 116.67 125.52 3hu1 s ASP 368 Ca -0.01 -0.63 -0.13 0.00 0.43 0.00 0.00 52.55 52.21 3hu1 s ASP 368 Cb -0.17 -2.51 0.14 0.00 -0.30 0.00 0.00 42.92 40.08 3hu1 s ASP 368 CO -0.06 -1.70 1.73 -0.38 -0.17 0.00 0.00 175.17 174.59 3hu1 n ILE 369 N 6.23 4.13 -0.08 4.11 2.08 0.79 -4.96 119.36 131.66 3hu1 n ILE 369 Ca 0.01 -4.31 0.00 0.00 0.56 0.00 0.00 62.75 59.01 3hu1 n ILE 369 Cb 0.48 -2.43 0.00 0.00 -0.75 0.00 0.00 39.64 36.94 3hu1 n ILE 369 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hu1 n GLY 370 N 3.89 -0.07 3.71 7.39 0.00 -1.26 -4.29 105.19 114.57 3hu1 n GLY 370 Ca 0.42 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 3hu1 n GLY 370 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hu1 s ILE 371 N 0.11 4.74 0.50 -0.61 1.09 -1.26 -4.89 121.20 120.88 3hu1 s ILE 371 Ca 0.00 2.03 -0.23 0.00 -1.10 0.00 0.00 60.65 61.35 3hu1 s ILE 371 Cb 0.00 -4.30 -0.06 0.00 -1.06 0.00 0.00 42.46 37.04 3hu1 s ILE 371 CO 0.00 0.19 1.28 -2.16 -0.10 0.00 0.00 174.94 174.15 3hu1 s PRO 372 N 0.78 3.45 1.05 2.79 0.04 -1.26 -5.06 135.00 136.79 3hu1 s PRO 372 Ca 0.51 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 63.44 3hu1 s PRO 372 Cb -0.22 -2.36 0.23 0.00 0.04 0.00 0.00 34.50 32.19 3hu1 s PRO 372 CO 0.29 -0.89 1.23 0.16 0.04 0.00 0.00 177.00 177.83 3hu1 s ASP 373 N -1.09 2.31 0.29 6.66 -4.77 -1.26 -4.80 116.67 114.01 3hu1 s ASP 373 Ca 0.67 0.44 0.02 0.00 -3.30 0.00 0.00 52.55 50.38 3hu1 s ASP 373 Cb -0.36 -0.59 0.59 0.00 -1.09 0.00 0.00 42.92 41.48 3hu1 s ASP 373 CO 0.43 -3.25 1.82 0.00 0.70 0.00 0.00 175.17 174.87 3hu1 h ALA 374 N -1.99 1.54 -0.24 2.11 0.00 -1.95 -1.40 119.26 117.33 3hu1 h ALA 374 Ca -0.45 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3hu1 h ALA 374 Cb 1.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3hu1 h ALA 374 CO 0.38 0.15 0.02 1.15 0.00 0.00 0.00 179.25 180.95 3hu1 h THR 375 N 0.93 1.24 -0.83 0.00 2.02 -1.94 -2.72 112.91 111.61 3hu1 h THR 375 Ca 0.51 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.90 3hu1 h THR 375 Cb 0.58 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3hu1 h THR 375 CO -0.29 0.26 0.52 1.23 0.37 0.00 0.00 175.52 177.61 3hu1 h GLY 376 N 0.20 1.23 1.18 2.16 0.00 -1.74 -2.88 103.07 103.22 3hu1 h GLY 376 Ca 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3hu1 h GLY 376 CO 0.01 0.30 0.36 3.21 0.00 0.00 0.00 176.54 180.42 3hu1 h ARG 377 N 0.99 1.06 -0.59 4.80 3.08 -1.09 -2.08 114.38 120.54 3hu1 h ARG 377 Ca 0.35 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3hu1 h ARG 377 Cb 0.09 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3hu1 h ARG 377 CO -0.14 0.81 0.36 1.25 -1.07 0.00 0.00 179.97 181.18 3hu1 h LEU 378 N 1.05 0.72 -0.19 3.04 5.85 -1.28 -0.48 115.31 124.02 3hu1 h LEU 378 Ca 0.26 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3hu1 h LEU 378 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3hu1 h LEU 378 CO -0.03 0.57 0.03 -0.33 -0.34 0.00 0.00 178.44 178.34 3hu1 h GLU 379 N 0.80 0.10 -0.68 1.25 5.08 -1.30 -0.66 114.58 119.18 3hu1 h GLU 379 Ca 0.21 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3hu1 h GLU 379 Cb -0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3hu1 h GLU 379 CO -0.04 0.07 0.45 0.82 -1.00 0.00 0.00 179.01 179.30 3hu1 h ILE 380 N 0.10 1.18 -0.37 3.13 2.04 -1.07 0.17 117.51 122.69 3hu1 h ILE 380 Ca 0.09 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3hu1 h ILE 380 Cb 0.09 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3hu1 h ILE 380 CO -0.12 0.17 -0.02 -0.07 0.00 0.00 0.00 178.15 178.11 3hu1 h LEU 381 N 0.92 0.56 -0.29 1.44 3.38 -0.68 0.10 115.31 120.74 3hu1 h LEU 381 Ca 0.25 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 3hu1 h LEU 381 Cb -0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3hu1 h LEU 381 CO -0.05 0.64 -0.56 1.56 0.09 0.00 0.00 178.44 180.12 3hu1 h GLN 382 N 0.56 0.87 -0.36 1.13 4.20 -0.39 -2.48 115.11 118.65 3hu1 h GLN 382 Ca 0.12 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 3hu1 h GLN 382 Cb 0.38 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3hu1 h GLN 382 CO 0.01 1.20 0.11 0.82 -0.67 0.00 0.00 178.83 180.30 3hu1 h ILE 383 N 0.67 1.21 -0.19 2.54 2.04 -0.09 -3.01 117.51 120.67 3hu1 h ILE 383 Ca 0.01 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3hu1 h ILE 383 Cb 1.17 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3hu1 h ILE 383 CO 0.12 0.24 -0.26 0.45 0.00 0.00 0.00 178.15 178.70 3hu1 h HIS 384 N 0.43 0.40 -0.34 1.37 3.86 -0.80 -3.17 115.15 116.90 3hu1 h HIS 384 Ca 0.12 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3hu1 h HIS 384 Cb 0.26 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3hu1 h HIS 384 CO 0.01 0.60 0.00 0.25 0.86 0.00 0.00 177.93 179.65 3hu1 n THR 385 N -4.13 0.43 0.20 2.45 -2.24 -0.94 -4.35 114.28 105.71 3hu1 n THR 385 Ca -0.01 -0.65 0.13 0.00 -2.27 0.00 0.00 64.05 61.26 3hu1 n THR 385 Cb 0.39 0.83 0.70 0.00 -2.10 0.00 0.00 70.33 70.15 3hu1 n THR 385 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hu1 h LYS 386 N 3.91 0.00 -0.01 -0.78 2.10 -1.50 0.15 116.57 120.44 3hu1 h LYS 386 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hu1 h LYS 386 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3hu1 h LYS 386 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3hu1 n ASN 387 N -2.40 1.34 -4.82 7.07 3.02 -1.26 -5.02 115.26 113.19 3hu1 n ASN 387 Ca -0.02 -1.26 -0.37 0.00 -0.03 0.00 0.00 54.58 52.90 3hu1 n ASN 387 Cb 0.04 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 3hu1 n ASN 387 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hu1 s MET 388 N -0.32 4.18 -0.44 3.52 -1.94 0.51 -5.03 119.30 119.77 3hu1 s MET 388 Ca 0.02 0.72 -0.26 0.00 -1.71 0.00 0.00 55.69 54.47 3hu1 s MET 388 Cb 0.01 -3.09 0.02 0.00 2.01 0.00 0.00 34.83 33.79 3hu1 s MET 388 CO 0.02 0.54 0.95 0.15 -0.01 0.00 0.00 175.02 176.67 3hu1 s LYS 389 N -1.51 3.61 0.08 2.03 -0.14 -1.26 -5.00 119.74 117.54 3hu1 s LYS 389 Ca 0.35 0.29 0.05 0.00 -1.36 0.00 0.00 55.97 55.29 3hu1 s LYS 389 Cb -0.18 -3.90 -0.04 0.00 -1.68 0.00 0.00 37.83 32.03 3hu1 s LYS 389 CO 0.20 -1.18 -0.05 -0.51 -0.76 0.00 0.00 175.35 173.05 3hu1 s LEU 390 N 3.77 3.25 0.70 3.17 1.43 -1.26 -0.26 118.68 129.47 3hu1 s LEU 390 Ca 0.38 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 3hu1 s LEU 390 Cb -0.10 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3hu1 s LEU 390 CO 0.25 0.20 1.06 0.00 0.23 0.00 0.00 176.35 178.10 3hu1 s ALA 391 N -1.21 2.96 0.26 4.21 0.00 -0.58 -4.82 121.76 122.58 3hu1 s ALA 391 Ca 0.22 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 3hu1 s ALA 391 Cb -0.11 -2.89 0.55 0.00 0.00 0.00 0.00 23.12 20.66 3hu1 s ALA 391 CO 0.14 -1.18 1.73 -0.44 0.00 0.00 0.00 175.76 176.02 3hu1 h ASP 392 N -0.62 0.38 0.93 0.00 5.19 -2.01 -3.19 116.42 117.09 3hu1 h ASP 392 Ca -0.45 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 3hu1 h ASP 392 Cb 1.27 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.85 3hu1 h ASP 392 CO 0.63 0.12 0.00 -0.90 -3.12 0.00 0.00 179.24 175.97 3hu1 n ASP 393 N -4.97 0.38 -4.65 6.45 5.75 -1.26 -4.74 116.55 113.52 3hu1 n ASP 393 Ca 0.17 0.56 -0.43 0.00 -0.01 0.00 0.00 54.79 55.09 3hu1 n ASP 393 Cb 0.48 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3hu1 n ASP 393 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hu1 s VAL 394 N -3.11 3.54 -0.35 2.12 1.01 -1.21 -4.65 120.40 117.76 3hu1 s VAL 394 Ca 0.09 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 3hu1 s VAL 394 Cb 0.12 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 33.10 3hu1 s VAL 394 CO 0.45 -0.13 0.10 -0.62 0.00 0.00 0.00 175.10 174.89 3hu1 s ASP 395 N 4.08 5.10 0.25 3.32 2.15 -1.26 -4.98 116.67 125.33 3hu1 s ASP 395 Ca 0.76 -1.57 0.08 0.00 0.43 0.00 0.00 52.55 52.25 3hu1 s ASP 395 Cb -0.31 -1.78 0.30 0.00 -0.30 0.00 0.00 42.92 40.83 3hu1 s ASP 395 CO 0.31 -0.38 1.58 -0.07 -0.17 0.00 0.00 175.17 176.43 3hu1 h LEU 396 N 8.05 0.12 -0.84 -1.34 3.38 -1.99 -2.48 115.31 120.21 3hu1 h LEU 396 Ca -0.18 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.83 3hu1 h LEU 396 Cb 1.06 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 3hu1 h LEU 396 CO 0.61 0.71 0.46 -0.33 0.09 0.00 0.00 178.44 179.98 3hu1 h GLU 397 N 0.08 0.71 -0.31 1.13 5.08 -1.95 0.20 114.58 119.51 3hu1 h GLU 397 Ca -0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3hu1 h GLU 397 Cb 1.11 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3hu1 h GLU 397 CO 0.09 0.47 0.08 0.37 -1.00 0.00 0.00 179.01 179.02 3hu1 h GLN 398 N 0.73 0.50 -0.52 2.33 5.75 -1.92 -2.40 115.11 119.58 3hu1 h GLN 398 Ca 0.42 -0.12 -0.06 0.00 -0.15 0.00 0.00 58.65 58.75 3hu1 h GLN 398 Cb 0.47 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 3hu1 h GLN 398 CO -0.29 0.56 0.09 0.28 -2.65 0.00 0.00 178.83 176.81 3hu1 h VAL 399 N 0.35 1.23 -0.80 2.39 2.07 -1.08 -2.07 116.25 118.34 3hu1 h VAL 399 Ca 0.10 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3hu1 h VAL 399 Cb 0.28 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3hu1 h VAL 399 CO -0.00 0.32 0.35 0.00 0.02 0.00 0.00 177.57 178.26 3hu1 h ALA 400 N 1.31 1.11 -0.06 1.67 0.00 -0.46 -2.51 119.26 120.32 3hu1 h ALA 400 Ca 0.17 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3hu1 h ALA 400 Cb 0.35 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hu1 h ALA 400 CO 0.01 0.65 -0.81 -0.91 0.00 0.00 0.00 179.25 178.19 3hu1 h ASN 401 N 1.15 0.58 0.75 0.00 2.35 -1.13 -3.10 115.58 116.18 3hu1 h ASN 401 Ca 0.27 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3hu1 h ASN 401 Cb 0.16 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3hu1 h ASN 401 CO -0.03 1.18 0.00 -0.62 -1.65 0.00 0.00 177.43 176.31 3hu1 n GLU 402 N -3.83 0.15 -2.61 0.81 1.02 -0.80 -4.25 120.64 111.14 3hu1 n GLU 402 Ca -0.06 0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.73 3hu1 n GLU 402 Cb 0.76 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.69 3hu1 n GLU 402 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hu1 n THR 403 N -1.42 5.74 0.00 2.62 -2.24 -0.96 -4.92 114.28 113.10 3hu1 n THR 403 Ca 0.09 -5.84 0.00 0.00 -2.27 0.00 0.00 64.05 56.03 3hu1 n THR 403 Cb 0.27 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 3hu1 n THR 403 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hu1 n HIS 404 N -0.11 0.00 1.23 4.78 -0.00 -1.26 -2.93 115.22 116.93 3hu1 n HIS 404 Ca 0.46 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 58.26 3hu1 n HIS 404 Cb 0.27 -0.40 0.45 0.00 -0.00 0.00 0.00 29.99 30.31 3hu1 n HIS 404 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hu1 n GLY 405 N -0.95 -0.61 3.75 1.57 0.00 -1.26 -4.86 105.19 102.83 3hu1 n GLY 405 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3hu1 n GLY 405 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hu1 s HIS 406 N -2.00 3.70 0.53 1.61 4.02 -1.15 -4.35 115.29 117.65 3hu1 s HIS 406 Ca 0.23 1.72 0.06 0.00 1.02 0.00 0.00 55.06 58.09 3hu1 s HIS 406 Cb 0.10 -3.19 0.06 0.00 -1.02 0.00 0.00 32.58 28.53 3hu1 s HIS 406 CO 0.17 -0.28 0.51 1.33 1.02 0.00 0.00 174.74 177.49 3hu1 n VAL 407 N 1.82 0.00 -0.18 -0.90 0.24 -1.26 -4.47 118.33 113.57 3hu1 n VAL 407 Ca 0.00 -1.98 -0.03 0.00 -2.04 0.00 0.00 64.34 60.29 3hu1 n VAL 407 Cb 0.46 -0.21 0.07 0.00 -1.47 0.00 0.00 33.84 32.68 3hu1 n VAL 407 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hu1 h GLY 408 N 0.44 0.78 1.18 7.63 0.00 -1.80 -1.71 103.07 109.60 3hu1 h GLY 408 Ca -0.30 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 46.84 3hu1 h GLY 408 CO 0.47 0.11 0.55 0.00 0.00 0.00 0.00 176.54 177.66 3hu1 h ALA 409 N 1.30 1.40 -0.24 3.60 0.00 -1.59 -0.94 119.26 122.79 3hu1 h ALA 409 Ca 0.25 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3hu1 h ALA 409 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hu1 h ALA 409 CO -0.17 0.56 -0.30 -0.44 0.00 0.00 0.00 179.25 178.89 3hu1 h ASP 410 N 1.13 0.50 0.17 0.00 3.32 -1.68 -1.78 116.42 118.08 3hu1 h ASP 410 Ca 0.30 -0.19 -0.25 0.00 0.02 0.00 0.00 57.03 56.92 3hu1 h ASP 410 Cb -0.12 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.30 3hu1 h ASP 410 CO -0.07 0.78 -1.02 -0.07 -1.72 0.00 0.00 179.24 177.15 3hu1 h LEU 411 N 0.42 0.73 -1.09 1.55 3.38 -1.06 -1.87 115.31 117.38 3hu1 h LEU 411 Ca 0.05 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3hu1 h LEU 411 Cb 0.74 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3hu1 h LEU 411 CO 0.06 1.40 0.48 0.00 0.09 0.00 0.00 178.44 180.47 3hu1 h ALA 412 N 0.55 1.32 -0.24 1.53 0.00 -1.06 -2.02 119.26 119.33 3hu1 h ALA 412 Ca -0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3hu1 h ALA 412 Cb 1.66 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3hu1 h ALA 412 CO 0.19 0.58 -0.49 0.00 0.00 0.00 0.00 179.25 179.53 3hu1 h ALA 413 N 1.41 0.69 -0.67 0.00 0.00 -1.24 -2.42 119.26 117.02 3hu1 h ALA 413 Ca 0.29 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3hu1 h ALA 413 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3hu1 h ALA 413 CO -0.05 0.68 0.32 1.25 0.00 0.00 0.00 179.25 181.44 3hu1 h LEU 414 N 0.52 0.88 -0.95 0.00 5.85 -0.94 -0.75 115.31 119.91 3hu1 h LEU 414 Ca 0.02 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 3hu1 h LEU 414 Cb 1.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3hu1 h LEU 414 CO 0.10 0.77 -0.32 0.00 -0.34 0.00 0.00 178.44 178.64 3hu1 h SER 416 N 0.32 0.66 0.55 0.00 0.87 -0.79 -2.64 113.55 112.52 3hu1 h SER 416 Ca 0.04 -0.37 -0.13 0.00 -1.23 0.00 0.00 61.79 60.09 3hu1 h SER 416 Cb 0.73 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3hu1 h SER 416 CO 0.06 0.88 -0.61 -0.33 -0.53 0.00 0.00 176.83 176.29 3hu1 h GLU 417 N 0.43 0.06 -0.85 2.24 4.39 -0.81 -1.52 114.58 118.52 3hu1 h GLU 417 Ca 0.08 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3hu1 h GLU 417 Cb 0.60 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 3hu1 h GLU 417 CO 0.04 0.65 0.44 0.00 -1.16 0.00 0.00 179.01 178.98 3hu1 h ALA 418 N 1.33 1.10 -0.36 3.43 0.00 -1.05 -2.17 119.26 121.54 3hu1 h ALA 418 Ca -0.01 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3hu1 h ALA 418 Cb 1.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hu1 h ALA 418 CO 0.08 0.63 -0.41 0.00 0.00 0.00 0.00 179.25 179.56 3hu1 h ALA 419 N 1.24 0.58 -0.51 0.00 0.00 -1.03 -2.58 119.26 116.95 3hu1 h ALA 419 Ca 0.30 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3hu1 h ALA 419 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hu1 h ALA 419 CO -0.04 0.68 0.13 1.25 0.00 0.00 0.00 179.25 181.27 3hu1 h LEU 420 N 0.73 0.72 -0.65 0.00 6.46 -1.21 -1.13 115.31 120.23 3hu1 h LEU 420 Ca 0.05 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3hu1 h LEU 420 Cb 1.00 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 3hu1 h LEU 420 CO 0.10 0.70 0.31 -0.61 -0.62 0.00 0.00 178.44 178.32 3hu1 h GLN 421 N 0.75 0.93 -0.34 1.25 5.75 -1.05 -0.37 115.11 122.03 3hu1 h GLN 421 Ca 0.17 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.45 3hu1 h GLN 421 Cb 0.26 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3hu1 h GLN 421 CO -0.00 0.75 -0.11 0.00 -2.65 0.00 0.00 178.83 176.81 3hu1 h ALA 422 N 1.14 1.17 -0.49 3.38 0.00 -0.95 -0.91 119.26 122.59 3hu1 h ALA 422 Ca 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hu1 h ALA 422 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hu1 h ALA 422 CO -0.03 0.53 0.20 0.82 0.00 0.00 0.00 179.25 180.78 3hu1 h ILE 423 N 0.54 1.21 -0.84 0.00 2.04 -1.00 -2.86 117.51 116.60 3hu1 h ILE 423 Ca 0.10 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 3hu1 h ILE 423 Cb 0.52 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3hu1 h ILE 423 CO 0.03 0.24 0.52 0.03 0.00 0.00 0.00 178.15 178.97 3hu1 h ARG 424 N 0.65 1.13 0.00 2.37 3.08 -0.25 -1.79 114.38 119.57 3hu1 h ARG 424 Ca 0.16 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3hu1 h ARG 424 Cb 0.18 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hu1 h ARG 424 CO -0.01 0.78 -0.03 0.87 -1.07 0.00 0.00 179.97 180.50 3hu1 h LYS 425 N 1.15 0.00 -0.42 0.04 1.57 -1.00 -2.21 116.57 115.70 3hu1 h LYS 425 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3hu1 h LYS 425 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3hu1 h LYS 425 CO -0.06 0.03 0.00 1.17 -0.57 0.00 0.00 179.45 180.02 3hu1 n LYS 426 N -3.22 2.44 -0.25 3.15 3.00 -0.72 -4.74 118.16 117.82 3hu1 n LYS 426 Ca -0.01 -2.24 -0.02 0.00 -0.00 0.00 0.00 58.31 56.04 3hu1 n LYS 426 Cb 0.21 -1.46 0.10 0.00 0.00 0.00 0.00 35.03 33.88 3hu1 n LYS 426 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 3hu1 h MET 427 N 3.86 0.75 0.00 1.64 2.86 -0.89 -2.59 114.93 120.56 3hu1 h MET 427 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3hu1 h MET 427 Cb 0.90 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 3hu1 h MET 427 CO 0.00 0.50 -0.04 0.38 1.06 0.00 0.00 176.91 178.81 3hu1 h ASP 428 N 0.77 0.00 -0.07 1.22 2.03 -1.85 -1.46 116.42 117.06 3hu1 h ASP 428 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 3hu1 h ASP 428 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 3hu1 h ASP 428 CO -0.16 0.04 0.00 0.18 -1.03 0.00 0.00 179.24 178.27 3hu1 n LEU 429 N -3.17 1.39 -4.24 0.15 4.32 -0.98 -4.86 117.00 109.61 3hu1 n LEU 429 Ca -0.00 -0.52 -0.26 0.00 -0.02 0.00 0.00 56.01 55.20 3hu1 n LEU 429 Cb 0.28 -0.04 -0.15 0.00 -1.62 0.00 0.00 43.42 41.89 3hu1 n LEU 429 CO 0.27 0.26 -0.53 -0.63 -1.22 0.00 0.00 177.39 175.54 3hu1 s ILE 430 N -1.92 1.67 0.04 -0.08 1.01 -0.55 -4.80 121.20 116.58 3hu1 s ILE 430 Ca 0.36 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.98 3hu1 s ILE 430 Cb 0.19 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 3hu1 s ILE 430 CO 0.30 0.33 -0.10 -0.62 0.00 0.00 0.00 174.94 174.85 3hu1 s ASP 431 N -0.86 1.18 0.07 3.58 2.15 -1.26 -4.89 116.67 116.64 3hu1 s ASP 431 Ca 0.08 -0.49 0.17 0.00 0.43 0.00 0.00 52.55 52.73 3hu1 s ASP 431 Cb -0.08 -0.02 0.71 0.00 -0.30 0.00 0.00 42.92 43.22 3hu1 s ASP 431 CO 0.01 -0.09 1.52 -0.11 -0.17 0.00 0.00 175.17 176.32 3hu1 n LEU 432 N 1.69 0.19 -0.06 -1.34 7.94 -1.26 -3.97 117.00 120.18 3hu1 n LEU 432 Ca -0.20 0.55 -0.21 0.00 -1.11 0.00 0.00 56.01 55.04 3hu1 n LEU 432 Cb 0.55 -0.52 -0.13 0.00 0.53 0.00 0.00 43.42 43.85 3hu1 n LEU 432 CO 0.22 -0.35 -1.05 -0.62 -1.11 0.00 0.00 177.39 174.48 3hu1 n GLU 433 N -1.71 0.69 -1.87 1.96 -0.58 -1.26 -4.95 120.64 112.92 3hu1 n GLU 433 Ca 0.03 0.23 -0.37 0.00 -0.42 0.00 0.00 57.16 56.63 3hu1 n GLU 433 Cb 0.18 -1.62 0.04 0.00 -0.57 0.00 0.00 31.44 29.47 3hu1 n GLU 433 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 3hu1 s ASP 434 N -6.84 5.10 0.08 1.62 -4.77 -1.25 -4.97 116.67 105.64 3hu1 s ASP 434 Ca -0.29 2.59 -0.21 0.00 -3.30 0.00 0.00 52.55 51.34 3hu1 s ASP 434 Cb 0.08 -2.62 -0.10 0.00 -1.09 0.00 0.00 42.92 39.19 3hu1 s ASP 434 CO 0.67 -1.67 1.60 -0.08 0.70 0.00 0.00 175.17 176.39 3hu1 h GLU 435 N 1.06 0.26 -6.10 2.11 4.81 -1.92 -3.45 114.58 111.36 3hu1 h GLU 435 Ca -0.51 -0.05 -0.55 0.00 -0.13 0.00 0.00 59.36 58.12 3hu1 h GLU 435 Cb 1.31 -0.04 -0.23 0.00 0.63 0.00 0.00 28.75 30.42 3hu1 h GLU 435 CO 0.56 0.37 -0.83 0.95 -0.73 0.00 0.00 179.01 179.33 3hu1 s THR 436 N -5.42 1.66 0.19 0.32 -4.23 -1.26 -5.14 115.64 101.76 3hu1 s THR 436 Ca -0.14 -1.46 -0.22 0.00 -1.18 0.00 0.00 61.69 58.69 3hu1 s THR 436 Cb 0.07 -1.50 -0.08 0.00 1.34 0.00 0.00 72.50 72.32 3hu1 s THR 436 CO 0.71 -0.02 0.73 -0.63 -0.54 0.00 0.00 174.62 174.87 3hu1 s ILE 437 N -1.10 4.50 0.28 2.99 -1.09 -1.26 -5.03 121.20 120.49 3hu1 s ILE 437 Ca 0.06 1.46 -0.30 0.00 -2.23 0.00 0.00 60.65 59.64 3hu1 s ILE 437 Cb -0.10 -3.98 -0.12 0.00 -1.58 0.00 0.00 42.46 36.68 3hu1 s ILE 437 CO 0.04 0.37 1.50 -0.67 -1.23 0.00 0.00 174.94 174.95 3hu1 n ASP 438 N 1.18 3.39 -0.27 3.58 -0.08 -1.26 -4.93 116.55 118.16 3hu1 n ASP 438 Ca -0.04 1.16 -0.04 0.00 -1.51 0.00 0.00 54.79 54.35 3hu1 n ASP 438 Cb 0.50 -1.53 0.07 0.00 2.34 0.00 0.00 41.12 42.50 3hu1 n ASP 438 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hu1 h ALA 439 N 4.30 0.96 -0.57 -1.67 0.00 -2.00 -2.57 119.26 117.71 3hu1 h ALA 439 Ca -0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3hu1 h ALA 439 Cb 1.25 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3hu1 h ALA 439 CO 0.76 0.32 0.34 1.49 0.00 0.00 0.00 179.25 182.15 3hu1 h GLU 440 N 0.97 0.79 -0.79 0.00 4.57 -2.01 -2.83 114.58 115.27 3hu1 h GLU 440 Ca 0.29 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 3hu1 h GLU 440 Cb -0.06 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 3hu1 h GLU 440 CO -0.08 0.58 0.47 0.28 -1.18 0.00 0.00 179.01 179.08 3hu1 h VAL 441 N 0.77 1.22 -0.59 0.32 2.07 -1.88 -2.04 116.25 116.13 3hu1 h VAL 441 Ca 0.20 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3hu1 h VAL 441 Cb 0.00 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 3hu1 h VAL 441 CO -0.04 0.24 0.14 -0.03 0.02 0.00 0.00 177.57 177.90 3hu1 h MET 442 N 1.10 0.93 0.14 1.57 4.05 -1.23 -3.14 114.93 118.34 3hu1 h MET 442 Ca 0.28 -0.20 -0.24 0.00 -0.28 0.00 0.00 59.70 59.26 3hu1 h MET 442 Cb -0.03 -0.13 0.03 0.00 -0.80 0.00 0.00 31.60 30.66 3hu1 h MET 442 CO -0.05 0.83 -1.04 -0.91 0.23 0.00 0.00 176.91 175.97 3hu1 h ASN 443 N 0.89 0.68 0.32 1.39 2.35 -1.25 -3.28 115.58 116.67 3hu1 h ASN 443 Ca 0.19 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 3hu1 h ASN 443 Cb 0.33 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3hu1 h ASN 443 CO 0.00 1.50 0.00 0.77 -1.65 0.00 0.00 177.43 178.05 3hu1 h SER 444 N -0.04 0.00 -2.03 5.81 4.64 -1.41 -3.44 113.55 117.08 3hu1 h SER 444 Ca -0.17 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.57 3hu1 h SER 444 Cb 1.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 3hu1 h SER 444 CO 0.20 0.00 1.47 -0.76 -0.87 0.00 0.00 176.83 176.87 3hu1 s LEU 445 N -5.00 3.54 0.01 5.97 1.43 -1.19 -4.96 118.68 118.47 3hu1 s LEU 445 Ca -0.01 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.07 3hu1 s LEU 445 Cb 0.09 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 3hu1 s LEU 445 CO 0.33 -1.88 -0.04 0.00 0.23 0.00 0.00 176.35 174.99 3hu1 s ALA 446 N 7.94 0.31 -0.23 4.21 0.00 -1.26 -4.79 121.76 127.94 3hu1 s ALA 446 Ca 0.99 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.43 3hu1 s ALA 446 Cb -0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3hu1 s ALA 446 CO 0.36 0.02 0.57 0.08 0.00 0.00 0.00 175.76 176.79 3hu1 s VAL 447 N -0.52 5.04 0.35 0.00 1.01 0.64 -4.87 120.40 122.05 3hu1 s VAL 447 Ca -0.03 1.04 0.05 0.00 0.00 0.00 0.00 61.98 63.04 3hu1 s VAL 447 Cb -0.04 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 3hu1 s VAL 447 CO -0.00 0.10 0.50 0.42 0.00 0.00 0.00 175.10 176.12 3hu1 s THR 448 N 2.09 4.12 0.29 3.92 -4.23 -1.26 -1.53 115.64 119.04 3hu1 s THR 448 Ca 0.25 -0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 3hu1 s THR 448 Cb -0.16 -3.45 0.21 0.00 1.34 0.00 0.00 72.50 70.45 3hu1 s THR 448 CO 0.09 -0.20 1.90 -0.03 -0.54 0.00 0.00 174.62 175.85 3hu1 h MET 449 N 0.81 0.95 -0.72 3.99 4.05 -1.93 -2.39 114.93 119.69 3hu1 h MET 449 Ca -0.46 -0.12 0.14 0.00 -0.28 0.00 0.00 59.70 58.98 3hu1 h MET 449 Cb 1.25 -0.18 -0.09 0.00 -0.80 0.00 0.00 31.60 31.78 3hu1 h MET 449 CO 0.54 0.72 0.26 0.22 0.23 0.00 0.00 176.91 178.88 3hu1 h ASP 450 N 0.95 0.22 -0.47 1.39 3.58 -1.95 -0.24 116.42 119.90 3hu1 h ASP 450 Ca 0.24 0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.82 3hu1 h ASP 450 Cb 0.07 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 3hu1 h ASP 450 CO -0.03 0.08 0.27 0.44 -2.88 0.00 0.00 179.24 177.12 3hu1 h ASP 451 N 0.40 0.43 -0.87 2.28 3.32 -1.76 -1.04 116.42 119.18 3hu1 h ASP 451 Ca 0.39 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.47 3hu1 h ASP 451 Cb 0.59 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 3hu1 h ASP 451 CO -0.40 0.31 0.57 -0.26 -1.72 0.00 0.00 179.24 177.73 3hu1 h PHE 452 N 0.54 1.08 -0.20 4.55 -1.00 -1.02 -0.33 116.94 120.56 3hu1 h PHE 452 Ca 0.19 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.93 3hu1 h PHE 452 Cb 0.03 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.21 3hu1 h PHE 452 CO -0.07 0.66 -0.15 0.00 -1.61 0.00 0.00 178.31 177.14 3hu1 h ARG 453 N 1.16 0.33 -0.31 1.51 3.08 -0.39 0.20 114.38 119.96 3hu1 h ARG 453 Ca 0.33 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 3hu1 h ARG 453 Cb -0.09 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3hu1 h ARG 453 CO -0.08 0.49 -0.29 2.35 -1.07 0.00 0.00 179.97 181.36 3hu1 h TRP 454 N 0.31 0.88 -0.88 3.04 7.01 -0.37 -2.01 115.95 123.93 3hu1 h TRP 454 Ca 0.06 -0.26 0.04 0.00 2.11 0.00 0.00 58.89 60.83 3hu1 h TRP 454 Cb 0.46 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.28 3hu1 h TRP 454 CO 0.01 1.02 0.58 0.00 -2.79 0.00 0.00 178.44 177.26 3hu1 h ALA 455 N 0.72 1.45 -0.36 2.65 0.00 -0.52 -2.89 119.26 120.32 3hu1 h ALA 455 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3hu1 h ALA 455 Cb 0.87 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hu1 h ALA 455 CO 0.07 0.46 -0.22 -0.07 0.00 0.00 0.00 179.25 179.49 3hu1 h LEU 456 N 1.09 0.70 -1.48 0.00 3.38 -0.41 -2.41 115.31 116.19 3hu1 h LEU 456 Ca 0.35 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hu1 h LEU 456 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3hu1 h LEU 456 CO -0.11 0.91 0.00 0.77 0.09 0.00 0.00 178.44 180.10 3hu1 h SER 457 N 0.61 0.00 0.09 -0.43 4.64 -1.16 -3.00 113.55 114.31 3hu1 h SER 457 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3hu1 h SER 457 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3hu1 h SER 457 CO 0.05 0.00 -1.58 0.00 -0.87 0.00 0.00 176.83 174.43 3hu1 n GLN 458 N -3.04 0.44 -0.63 4.77 1.13 -1.05 -5.05 117.38 113.94 3hu1 n GLN 458 Ca 0.01 -0.11 -0.31 0.00 -1.94 0.00 0.00 57.00 54.65 3hu1 n GLN 458 Cb 0.29 -1.54 0.19 0.00 0.11 0.00 0.00 30.24 29.29 3hu1 n GLN 458 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3hu1 n SER 459 N -2.04 -0.70 -3.80 1.08 2.88 -0.93 -5.08 113.62 105.02 3hu1 n SER 459 Ca -0.01 0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.62 3hu1 n SER 459 Cb 0.49 -1.36 -0.14 0.00 -0.75 0.00 0.00 64.21 62.46 3hu1 n SER 459 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3hu1 s ASN 460 N -2.45 -0.08 0.55 -3.46 3.84 -1.26 -5.08 114.94 106.99 3hu1 s ASN 460 Ca 0.65 0.21 -0.16 0.00 0.21 0.00 0.00 52.86 53.77 3hu1 s ASN 460 Cb -0.23 0.16 -0.06 0.00 -0.55 0.00 0.00 41.25 40.57 3hu1 s ASN 460 CO 0.62 -0.08 1.01 -2.16 -2.79 0.00 0.00 177.10 173.69 3hu1 s PRO 461 N 0.50 3.77 0.00 0.43 0.04 -1.26 -4.92 135.00 133.56 3hu1 s PRO 461 Ca -0.04 0.97 0.00 0.00 0.04 0.00 0.00 61.00 61.98 3hu1 s PRO 461 Cb -0.05 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3hu1 s PRO 461 CO -0.02 -0.42 0.00 -1.13 0.04 0.00 0.00 177.00 175.47