#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8h s ALA 3 N 0.00 3.46 0.30 1.55 0.00 -1.26 -1.44 121.76 124.37 3b8h s ALA 3 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.22 3b8h s ALA 3 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.47 3b8h s ALA 3 CO 0.00 0.61 -0.01 -0.06 0.00 0.00 0.00 175.76 176.31 3b8h s PHE 4 N -0.97 1.96 0.38 0.00 0.08 -1.01 -4.94 117.98 113.48 3b8h s PHE 4 Ca 0.15 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.45 3b8h s PHE 4 Cb -0.12 -1.20 -0.00 0.00 -0.57 0.00 0.00 43.02 41.13 3b8h s PHE 4 CO 0.05 0.17 0.54 0.95 -0.10 0.00 0.00 175.22 176.83 3b8h s THR 5 N -3.13 3.88 0.54 0.64 -4.23 -1.26 -2.43 115.64 109.65 3b8h s THR 5 Ca 0.32 -0.86 0.28 0.00 -1.18 0.00 0.00 61.69 60.25 3b8h s THR 5 Cb 0.06 -3.37 0.33 0.00 1.34 0.00 0.00 72.50 70.86 3b8h s THR 5 CO 0.13 -0.17 2.19 0.58 -0.54 0.00 0.00 174.62 176.81 3b8h h VAL 6 N 0.70 0.59 -0.12 2.29 2.07 -1.95 -0.10 116.25 119.73 3b8h h VAL 6 Ca -0.45 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3b8h h VAL 6 Cb 1.26 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3b8h h VAL 6 CO 0.53 0.04 -0.07 0.44 0.02 0.00 0.00 177.57 178.53 3b8h h ASP 7 N 0.00 0.28 -0.10 0.57 3.32 -1.99 -1.91 116.42 116.58 3b8h h ASP 7 Ca -0.00 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.52 3b8h h ASP 7 Cb 0.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3b8h h ASP 7 CO 0.00 0.65 -0.25 1.56 -1.72 0.00 0.00 179.24 179.48 3b8h h GLN 8 N -0.09 0.55 0.12 3.56 4.20 -1.70 -1.28 115.11 120.47 3b8h h GLN 8 Ca 0.03 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3b8h h GLN 8 Cb 0.55 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3b8h h GLN 8 CO 0.02 0.76 -0.06 0.52 -0.67 0.00 0.00 178.83 179.40 3b8h h MET 9 N 0.48 -0.16 -0.24 1.46 2.86 -1.07 -1.45 114.93 116.81 3b8h h MET 9 Ca 0.07 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3b8h h MET 9 Cb 0.69 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3b8h h MET 9 CO 0.05 0.16 0.15 -0.09 1.06 0.00 0.00 176.91 178.25 3b8h h ARG 10 N -0.49 0.33 -0.04 1.72 9.65 -1.30 0.18 114.38 124.43 3b8h h ARG 10 Ca -0.02 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3b8h h ARG 10 Cb 0.39 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3b8h h ARG 10 CO 0.03 0.24 -0.00 0.66 2.80 0.00 0.00 179.97 183.70 3b8h h SER 11 N 0.32 0.04 -0.01 -3.80 4.64 -1.28 -0.77 113.55 112.69 3b8h h SER 11 Ca 0.09 -0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.16 3b8h h SER 11 Cb -0.01 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3b8h h SER 11 CO -0.02 0.06 -0.92 0.25 -0.87 0.00 0.00 176.83 175.33 3b8h h LEU 12 N 0.05 0.87 -1.60 5.97 5.85 -0.37 -3.14 115.31 122.94 3b8h h LEU 12 Ca 0.01 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 3b8h h LEU 12 Cb 0.04 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 3b8h h LEU 12 CO 0.00 1.44 -0.10 0.24 -0.34 0.00 0.00 178.44 179.68 3b8h h MET 13 N 0.43 0.00 -0.54 1.25 2.86 0.35 -3.05 114.93 116.23 3b8h h MET 13 Ca -0.09 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3b8h h MET 13 Cb 1.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 3b8h h MET 13 CO 0.18 0.10 -0.06 0.22 1.06 0.00 0.00 176.91 178.41 3b8h h ASP 14 N 0.00 0.97 -1.50 1.22 3.58 -1.13 -3.33 116.42 116.23 3b8h h ASP 14 Ca -0.00 -0.29 -0.73 0.00 0.42 0.00 0.00 57.03 56.42 3b8h h ASP 14 Cb 0.50 -0.26 -0.14 0.00 1.72 0.00 0.00 39.33 41.14 3b8h h ASP 14 CO 0.01 1.06 1.89 0.29 -2.88 0.00 0.00 179.24 179.61 3b8h n LYS 15 N -4.16 3.39 0.14 0.28 5.02 -1.15 -4.80 118.16 116.87 3b8h n LYS 15 Ca 0.02 -3.54 0.09 0.00 -2.02 0.00 0.00 58.31 52.86 3b8h n LYS 15 Cb 0.37 -3.08 0.58 0.00 -0.02 0.00 0.00 35.03 32.88 3b8h n LYS 15 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3b8h h VAL 16 N 4.36 0.99 0.00 -0.18 2.07 -1.81 -0.76 116.25 120.92 3b8h h VAL 16 Ca 0.39 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.85 3b8h h VAL 16 Cb 0.76 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3b8h h VAL 16 CO 1.48 0.03 0.07 0.71 0.02 0.00 0.00 177.57 179.87 3b8h h THR 17 N 0.17 0.00 -0.56 2.57 1.35 -1.87 -0.04 112.91 114.53 3b8h h THR 17 Ca 0.09 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.59 3b8h h THR 17 Cb 0.15 0.80 -0.23 0.00 -1.73 0.00 0.00 68.15 67.15 3b8h h THR 17 CO -0.01 0.00 -0.15 0.59 -0.25 0.00 0.00 175.52 175.69 3b8h n ASN 18 N -2.83 3.94 -4.42 5.36 4.13 -0.29 -4.62 115.26 116.53 3b8h n ASN 18 Ca -0.02 -3.79 -0.31 0.00 1.68 0.00 0.00 54.58 52.14 3b8h n ASN 18 Cb 0.12 -0.61 -0.13 0.00 -1.54 0.00 0.00 39.78 37.62 3b8h n ASN 18 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3b8h s VAL 19 N -3.88 2.55 -0.31 2.41 1.01 -0.03 -1.05 120.40 121.11 3b8h s VAL 19 Ca 0.50 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3b8h s VAL 19 Cb 0.42 -2.05 0.10 0.00 0.00 0.00 0.00 36.38 34.86 3b8h s VAL 19 CO 0.01 0.35 0.08 -0.13 0.00 0.00 0.00 175.10 175.41 3b8h s ARG 20 N -1.35 0.92 -0.54 2.72 1.81 -0.15 -4.07 118.95 118.29 3b8h s ARG 20 Ca 0.13 -1.25 -0.26 0.00 -1.72 0.00 0.00 55.73 52.64 3b8h s ARG 20 Cb -0.10 -2.30 0.04 0.00 -0.45 0.00 0.00 34.95 32.14 3b8h s ARG 20 CO 0.04 -0.96 1.01 -0.80 -0.68 0.00 0.00 175.30 173.91 3b8h s ASN 21 N 1.45 6.41 0.14 0.23 0.01 -1.26 -0.30 114.94 121.61 3b8h s ASN 21 Ca 0.09 -0.11 -0.07 0.00 -0.71 0.00 0.00 52.86 52.06 3b8h s ASN 21 Cb -0.18 -2.47 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 3b8h s ASN 21 CO -0.20 -1.26 0.20 0.00 -1.51 0.00 0.00 177.10 174.33 3b8h s MET 22 N 4.19 1.02 0.39 -0.60 0.23 -0.26 0.38 119.30 124.65 3b8h s MET 22 Ca 0.36 -1.19 0.05 0.00 -1.03 0.00 0.00 55.69 53.88 3b8h s MET 22 Cb -0.11 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 3b8h s MET 22 CO 0.23 -0.34 0.17 -1.54 -2.03 0.00 0.00 175.02 171.51 3b8h s SER 23 N -2.96 2.52 -0.32 -1.18 1.04 -1.11 -0.70 113.70 110.99 3b8h s SER 23 Ca 0.16 -1.71 -0.00 0.00 0.48 0.00 0.00 55.95 54.87 3b8h s SER 23 Cb 0.05 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.79 3b8h s SER 23 CO -0.02 -0.98 0.03 -0.69 0.98 0.00 0.00 173.24 172.55 3b8h s VAL 24 N -3.27 2.79 -0.38 5.02 1.01 -1.26 -1.52 120.40 122.79 3b8h s VAL 24 Ca 0.28 -1.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 3b8h s VAL 24 Cb 0.02 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3b8h s VAL 24 CO 0.18 -0.27 0.90 -0.63 0.00 0.00 0.00 175.10 175.27 3b8h s ILE 25 N 1.15 4.60 -0.26 2.22 1.01 -0.64 -4.87 121.20 124.41 3b8h s ILE 25 Ca -0.01 1.08 -0.26 0.00 0.00 0.00 0.00 60.65 61.46 3b8h s ILE 25 Cb -0.20 -4.32 0.14 0.00 0.01 0.00 0.00 42.46 38.08 3b8h s ILE 25 CO -0.03 -0.55 1.11 0.00 0.00 0.00 0.00 174.94 175.46 3b8h s ALA 26 N 3.44 -2.02 0.35 9.38 0.00 -1.26 -1.14 121.76 130.51 3b8h s ALA 26 Ca 0.37 1.79 -0.28 0.00 0.00 0.00 0.00 51.96 53.83 3b8h s ALA 26 Cb -0.12 -1.36 -0.10 0.00 0.00 0.00 0.00 23.12 21.54 3b8h s ALA 26 CO 0.19 -0.23 1.28 -1.58 0.00 0.00 0.00 175.76 175.43 3b8h s HIS 27 N -0.12 3.04 0.58 0.00 2.46 -1.26 -4.88 115.29 115.10 3b8h s HIS 27 Ca 0.03 1.44 0.28 0.00 0.47 0.00 0.00 55.06 57.28 3b8h s HIS 27 Cb -0.04 -3.63 1.67 0.00 -0.13 0.00 0.00 32.58 30.45 3b8h s HIS 27 CO -0.06 -1.77 2.16 -0.39 -2.47 0.00 0.00 174.74 172.21 3b8h h VAL 28 N 2.86 0.56 -0.36 0.89 -1.51 -1.96 -1.05 116.25 115.68 3b8h h VAL 28 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3b8h h VAL 28 Cb 1.23 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3b8h h VAL 28 CO 0.65 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.46 3b8h n ASP 29 N -3.92 3.65 -0.69 4.19 8.00 -1.26 -3.67 116.55 122.84 3b8h n ASP 29 Ca -0.00 -2.48 0.04 0.00 0.71 0.00 0.00 54.79 53.06 3b8h n ASP 29 Cb 0.22 -0.57 0.20 0.00 -0.02 0.00 0.00 41.12 40.95 3b8h n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3b8h n HIS 30 N 0.44 0.18 -2.74 1.24 8.25 -0.40 -4.96 115.22 117.23 3b8h n HIS 30 Ca 0.17 -1.54 -0.18 0.00 -0.26 0.00 0.00 57.72 55.90 3b8h n HIS 30 Cb 0.76 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 31.63 3b8h n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b8h n GLY 31 N -1.10 -0.30 0.20 -1.41 0.00 -1.24 -4.89 105.19 96.45 3b8h n GLY 31 Ca 0.21 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3b8h n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3b8h h LYS 32 N -0.87 -0.33 -0.79 1.61 3.64 -1.72 0.94 116.57 119.05 3b8h h LYS 32 Ca -0.43 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 3b8h h LYS 32 Cb 1.30 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 3b8h h LYS 32 CO 0.47 -0.22 0.38 0.66 -2.27 0.00 0.00 179.45 178.46 3b8h h SER 33 N -0.34 1.03 -0.05 4.20 4.64 -1.90 -2.12 113.55 119.01 3b8h h SER 33 Ca -0.00 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3b8h h SER 33 Cb 0.32 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3b8h h SER 33 CO -0.03 0.87 0.02 0.74 -0.87 0.00 0.00 176.83 177.57 3b8h h THR 34 N 1.13 1.10 -0.63 2.95 2.02 -1.85 -2.24 112.91 115.39 3b8h h THR 34 Ca 0.27 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3b8h h THR 34 Cb 0.12 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3b8h h THR 34 CO -0.03 0.08 0.14 -0.07 0.37 0.00 0.00 175.52 176.01 3b8h h LEU 35 N -0.03 0.96 -0.99 2.58 3.38 -0.71 -2.78 115.31 117.73 3b8h h LEU 35 Ca 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3b8h h LEU 35 Cb 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3b8h h LEU 35 CO -0.00 0.95 0.31 0.71 0.09 0.00 0.00 178.44 180.51 3b8h h THR 36 N 0.93 1.24 -0.93 0.22 1.35 -1.34 -2.41 112.91 111.97 3b8h h THR 36 Ca 0.20 -0.71 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3b8h h THR 36 Cb 0.37 0.35 -0.05 0.00 -1.73 0.00 0.00 68.15 67.10 3b8h h THR 36 CO 0.00 0.29 0.57 0.44 -0.25 0.00 0.00 175.52 176.58 3b8h h ASP 37 N 1.03 1.10 -0.53 5.36 3.32 -1.16 -1.92 116.42 123.61 3b8h h ASP 37 Ca 0.24 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.27 3b8h h ASP 37 Cb 0.15 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3b8h h ASP 37 CO -0.03 0.83 0.30 0.28 -1.72 0.00 0.00 179.24 178.91 3b8h h SER 38 N 1.27 0.47 -0.67 6.45 0.02 -1.17 0.45 113.55 120.37 3b8h h SER 38 Ca 0.33 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3b8h h SER 38 Cb -0.08 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3b8h h SER 38 CO -0.07 0.33 0.43 -0.07 -1.14 0.00 0.00 176.83 176.31 3b8h h LEU 39 N 0.59 0.78 -0.07 5.07 3.38 -1.25 0.84 115.31 124.65 3b8h h LEU 39 Ca 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3b8h h LEU 39 Cb 0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3b8h h LEU 39 CO -0.12 0.58 -0.00 0.58 0.09 0.00 0.00 178.44 179.57 3b8h h VAL 40 N 0.91 1.25 -0.04 1.22 2.07 -0.74 0.36 116.25 121.29 3b8h h VAL 40 Ca 0.24 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3b8h h VAL 40 Cb -0.08 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3b8h h VAL 40 CO -0.05 0.22 0.03 1.56 0.02 0.00 0.00 177.57 179.35 3b8h h GLN 41 N -0.17 0.00 0.00 1.57 7.50 0.06 0.16 115.11 124.23 3b8h h GLN 41 Ca 0.02 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.09 3b8h h GLN 41 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 3b8h h GLN 41 CO 0.00 0.00 -0.80 -2.13 -1.50 0.00 0.00 178.83 174.41 3b8h n ARG 42 N -4.38 0.49 -0.03 1.46 3.00 0.27 -4.69 116.66 112.78 3b8h n ARG 42 Ca -0.02 0.52 0.01 0.00 -0.00 0.00 0.00 57.85 58.36 3b8h n ARG 42 Cb 0.13 -1.69 0.03 0.00 0.00 0.00 0.00 32.46 30.93 3b8h n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3b8h n ALA 43 N -3.64 2.22 -1.68 5.13 0.00 0.12 -4.79 120.51 117.88 3b8h n ALA 43 Ca -0.16 -0.83 -0.44 0.00 0.00 0.00 0.00 53.44 52.01 3b8h n ALA 43 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 3b8h n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8h n GLY 44 N -0.08 0.65 3.62 0.00 0.00 0.54 -0.62 105.19 109.30 3b8h n GLY 44 Ca 0.02 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 3b8h n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b8h s ILE 45 N -0.48 5.23 0.09 -0.61 1.01 -0.31 -1.97 121.20 124.16 3b8h s ILE 45 Ca 0.63 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.45 3b8h s ILE 45 Cb -0.62 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3b8h s ILE 45 CO 0.55 0.32 0.08 0.27 0.00 0.00 0.00 174.94 176.16 3b8h s ILE 46 N 1.30 4.53 0.93 2.92 -4.36 -0.52 -4.77 121.20 121.24 3b8h s ILE 46 Ca 0.07 -0.79 -0.13 0.00 -0.26 0.00 0.00 60.65 59.54 3b8h s ILE 46 Cb -0.14 -3.19 0.15 0.00 1.25 0.00 0.00 42.46 40.52 3b8h s ILE 46 CO 0.06 0.11 1.16 -0.55 0.24 0.00 0.00 174.94 175.96 3b8h s SER 47 N -2.45 3.36 -0.39 4.36 0.15 -1.26 -2.40 113.70 115.07 3b8h s SER 47 Ca 0.29 0.85 0.11 0.00 0.70 0.00 0.00 55.95 57.91 3b8h s SER 47 Cb -0.12 -1.34 0.43 0.00 -1.71 0.00 0.00 66.02 63.28 3b8h s SER 47 CO 0.22 -2.64 1.01 0.00 1.20 0.00 0.00 173.24 173.04 3b8h n ALA 48 N -3.80 4.16 0.00 5.45 0.00 -1.02 -4.62 120.51 120.68 3b8h n ALA 48 Ca 0.08 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.77 3b8h n ALA 48 Cb 0.59 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3b8h n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8h n GLY 67 N -0.24 -0.76 3.81 0.00 0.00 -1.26 -4.96 105.19 101.78 3b8h n GLY 67 Ca 0.24 0.36 -0.38 0.00 0.00 0.00 0.00 46.02 46.25 3b8h n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b8h s ILE 68 N 0.00 5.07 0.02 -0.61 1.09 -1.26 -5.04 121.20 120.47 3b8h s ILE 68 Ca 0.00 0.85 0.02 0.00 -1.10 0.00 0.00 60.65 60.42 3b8h s ILE 68 Cb 0.00 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 3b8h s ILE 68 CO 0.00 0.52 0.02 0.42 -0.10 0.00 0.00 174.94 175.79 3b8h s THR 69 N -0.65 4.23 0.32 2.92 -4.23 -1.26 -3.99 115.64 112.98 3b8h s THR 69 Ca 0.24 -0.65 0.07 0.00 -1.18 0.00 0.00 61.69 60.17 3b8h s THR 69 Cb -0.16 -2.93 -0.06 0.00 1.34 0.00 0.00 72.50 70.69 3b8h s THR 69 CO 0.12 0.32 -0.05 0.27 -0.54 0.00 0.00 174.62 174.74 3b8h s ILE 70 N -1.16 1.83 -0.15 2.99 -4.36 -0.44 -1.77 121.20 118.14 3b8h s ILE 70 Ca 0.22 -2.12 -0.29 0.00 -0.26 0.00 0.00 60.65 58.19 3b8h s ILE 70 Cb -0.12 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 40.95 3b8h s ILE 70 CO 0.13 -0.19 1.17 -0.75 0.24 0.00 0.00 174.94 175.53 3b8h s LYS 71 N -3.71 4.28 -0.13 0.37 2.20 -1.15 -4.63 119.74 116.99 3b8h s LYS 71 Ca 0.32 1.56 -0.33 0.00 -0.36 0.00 0.00 55.97 57.16 3b8h s LYS 71 Cb 0.05 -3.67 -0.11 0.00 -1.51 0.00 0.00 37.83 32.59 3b8h s LYS 71 CO 0.15 -0.59 1.96 0.45 -0.36 0.00 0.00 175.35 176.95 3b8h n SER 72 N 6.07 3.34 0.00 1.43 2.88 -1.25 -4.80 113.62 121.29 3b8h n SER 72 Ca 0.12 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 3b8h n SER 72 Cb 0.46 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 3b8h n SER 72 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3b8h n THR 73 N 5.68 0.00 -3.73 2.46 -1.04 -1.24 -4.93 114.28 111.48 3b8h n THR 73 Ca 0.25 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.13 3b8h n THR 73 Cb 0.31 -0.52 -0.08 0.00 -1.82 0.00 0.00 70.33 68.22 3b8h n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b8h s ALA 74 N -1.99 -0.85 -0.03 2.41 0.00 -1.26 -1.26 121.76 118.77 3b8h s ALA 74 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.29 3b8h s ALA 74 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3b8h s ALA 74 CO 0.00 -0.33 -0.06 0.42 0.00 0.00 0.00 175.76 175.79 3b8h s ILE 75 N -1.76 0.57 -0.13 0.00 1.01 -0.44 -1.16 121.20 119.29 3b8h s ILE 75 Ca -0.10 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.18 3b8h s ILE 75 Cb -0.03 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 3b8h s ILE 75 CO 0.02 0.21 0.40 -0.44 0.00 0.00 0.00 174.94 175.13 3b8h s SER 76 N 0.51 6.59 0.12 3.58 0.01 -1.26 -0.66 113.70 122.59 3b8h s SER 76 Ca -0.07 0.70 0.10 0.00 1.31 0.00 0.00 55.95 57.99 3b8h s SER 76 Cb -0.10 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 3b8h s SER 76 CO 0.00 0.05 -0.22 -0.76 0.41 0.00 0.00 173.24 172.72 3b8h s LEU 77 N 0.48 2.52 -0.04 2.44 1.02 0.90 -1.17 118.68 124.83 3b8h s LEU 77 Ca 0.22 -0.65 0.06 0.00 0.02 0.00 0.00 54.13 53.79 3b8h s LEU 77 Cb -0.14 -1.39 -0.01 0.00 0.02 0.00 0.00 46.19 44.66 3b8h s LEU 77 CO 0.08 0.18 -0.24 -0.47 0.02 0.00 0.00 176.35 175.92 3b8h s TYR 78 N -1.10 2.28 -0.03 0.29 5.04 0.21 -0.71 117.35 123.32 3b8h s TYR 78 Ca 0.16 -0.61 -0.04 0.00 -2.44 0.00 0.00 57.07 54.14 3b8h s TYR 78 Cb -0.10 -1.49 0.01 0.00 0.35 0.00 0.00 41.96 40.72 3b8h s TYR 78 CO 0.08 -0.16 0.11 0.45 -1.34 0.00 0.00 175.55 174.69 3b8h s SER 79 N -0.25 -0.08 0.06 4.32 0.15 -0.87 -4.67 113.70 112.37 3b8h s SER 79 Ca 0.00 0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.82 3b8h s SER 79 Cb -0.12 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 3b8h s SER 79 CO 0.02 -0.10 -0.13 -0.70 1.20 0.00 0.00 173.24 173.53 3b8h s GLU 80 N -0.22 0.79 0.23 5.44 2.12 -1.26 -0.57 118.70 125.22 3b8h s GLU 80 Ca -0.03 -0.86 -0.01 0.00 0.36 0.00 0.00 54.97 54.44 3b8h s GLU 80 Cb -0.02 -0.77 -0.03 0.00 0.26 0.00 0.00 34.13 33.57 3b8h s GLU 80 CO 0.00 0.17 0.19 -1.64 -0.54 0.00 0.00 175.26 173.45 3b8h s MET 81 N -1.53 1.34 0.55 4.30 -1.94 -0.88 -5.04 119.30 116.12 3b8h s MET 81 Ca -0.02 -1.67 -0.14 0.00 -1.71 0.00 0.00 55.69 52.15 3b8h s MET 81 Cb -0.09 0.30 -0.06 0.00 2.01 0.00 0.00 34.83 36.98 3b8h s MET 81 CO 0.02 -0.47 1.00 -1.54 -0.01 0.00 0.00 175.02 174.02 3b8h s SER 82 N -3.19 6.47 0.66 3.03 1.04 -1.26 -4.78 113.70 115.67 3b8h s SER 82 Ca 0.38 1.51 0.41 0.00 0.48 0.00 0.00 55.95 58.73 3b8h s SER 82 Cb 0.05 -2.49 2.29 0.00 0.10 0.00 0.00 66.02 65.97 3b8h s SER 82 CO 0.15 -0.69 2.33 0.44 0.98 0.00 0.00 173.24 176.45 3b8h h ASP 83 N 0.45 0.00 0.03 7.02 5.19 -1.99 -1.77 116.42 125.35 3b8h h ASP 83 Ca -0.46 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.89 3b8h h ASP 83 Cb 1.19 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.70 3b8h h ASP 83 CO 0.62 0.00 -0.25 -0.33 -3.12 0.00 0.00 179.24 176.16 3b8h h GLU 84 N 0.00 0.12 -0.81 3.56 5.08 -2.01 -3.30 114.58 117.22 3b8h h GLU 84 Ca 0.00 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3b8h h GLU 84 Cb 0.04 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 3b8h h GLU 84 CO -0.00 1.01 0.53 -0.44 -1.00 0.00 0.00 179.01 179.11 3b8h h ASP 85 N -0.69 0.76 0.40 1.42 3.32 -1.72 -1.18 116.42 118.72 3b8h h ASP 85 Ca -0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3b8h h ASP 85 Cb 1.12 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3b8h h ASP 85 CO 0.05 0.48 0.00 1.62 -1.72 0.00 0.00 179.24 179.67 3b8h h VAL 86 N 0.86 0.00 0.00 -1.35 3.04 -1.49 -0.59 116.25 116.72 3b8h h VAL 86 Ca 0.35 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 3b8h h VAL 86 Cb 0.28 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 3b8h h VAL 86 CO -0.13 0.00 -0.64 0.11 -1.01 0.00 0.00 177.57 175.90 3b8h h LYS 87 N 0.00 0.00 0.00 4.17 1.57 -1.29 -3.25 116.57 117.77 3b8h h LYS 87 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3b8h h LYS 87 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3b8h h LYS 87 CO 0.00 0.00 -0.04 0.93 -0.57 0.00 0.00 179.45 179.77 3b8h h GLU 88 N 0.00 0.00 -6.22 3.15 5.08 -1.07 -3.45 114.58 112.07 3b8h h GLU 88 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3b8h h GLU 88 Cb 0.75 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3b8h h GLU 88 CO 0.00 0.04 0.88 0.42 -1.00 0.00 0.00 179.01 179.35 3b8h s ILE 89 N -3.39 4.11 -0.49 3.13 1.01 -1.23 -4.92 121.20 119.42 3b8h s ILE 89 Ca 0.04 1.39 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 3b8h s ILE 89 Cb 0.07 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.66 3b8h s ILE 89 CO 0.63 -0.08 2.86 0.29 0.00 0.00 0.00 174.94 178.63 3b8h n LYS 90 N 6.26 2.58 -3.47 2.79 5.02 -1.26 -4.83 118.16 125.24 3b8h n LYS 90 Ca 0.14 -2.26 -0.10 0.00 -2.02 0.00 0.00 58.31 54.06 3b8h n LYS 90 Cb 0.45 -2.18 -0.02 0.00 -0.02 0.00 0.00 35.03 33.25 3b8h n LYS 90 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3b8h s GLN 91 N -1.22 1.01 -0.12 1.97 -2.07 -1.26 -5.12 119.66 112.86 3b8h s GLN 91 Ca 0.60 -0.34 -0.30 0.00 -1.82 0.00 0.00 55.36 53.50 3b8h s GLN 91 Cb 0.35 0.47 -0.07 0.00 -1.09 0.00 0.00 33.01 32.66 3b8h s GLN 91 CO -0.18 -0.44 2.11 1.63 -1.32 0.00 0.00 175.29 177.09 3b8h n LYS 92 N -0.24 2.26 -4.43 9.60 5.02 -1.26 -4.96 118.16 124.16 3b8h n LYS 92 Ca -0.12 0.73 -0.22 0.00 -2.02 0.00 0.00 58.31 56.68 3b8h n LYS 92 Cb 0.63 -3.06 -0.10 0.00 -0.02 0.00 0.00 35.03 32.47 3b8h n LYS 92 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3b8h s THR 93 N 6.51 1.98 -0.18 -0.18 -4.23 -1.26 -4.71 115.64 113.57 3b8h s THR 93 Ca 0.96 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 3b8h s THR 93 Cb -0.43 -2.29 0.09 0.00 1.34 0.00 0.00 72.50 71.20 3b8h s THR 93 CO 0.40 -0.42 0.26 -0.62 -0.54 0.00 0.00 174.62 173.70 3b8h s ASP 94 N -3.44 0.84 0.00 3.99 2.15 -1.26 -5.04 116.67 113.91 3b8h s ASP 94 Ca 0.28 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.39 3b8h s ASP 94 Cb -0.00 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.22 3b8h s ASP 94 CO 0.12 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 3b8h n GLY 95 N 5.34 -2.27 0.35 2.66 0.00 -1.26 -4.68 105.19 105.33 3b8h n GLY 95 Ca -0.05 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.48 3b8h n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3b8h n ASN 96 N -0.45 1.97 -4.87 1.61 3.02 -1.26 -4.99 115.26 110.29 3b8h n ASN 96 Ca 0.00 -1.54 -0.34 0.00 -0.03 0.00 0.00 54.58 52.67 3b8h n ASN 96 Cb 0.00 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 3b8h n ASN 96 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3b8h s SER 97 N -0.76 6.64 -0.02 6.41 0.01 -1.26 -2.07 113.70 122.64 3b8h s SER 97 Ca 0.11 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.18 3b8h s SER 97 Cb 0.07 -2.18 0.02 0.00 0.21 0.00 0.00 66.02 64.15 3b8h s SER 97 CO 0.10 0.13 0.01 -0.36 0.41 0.00 0.00 173.24 173.53 3b8h s PHE 98 N -1.47 0.18 -0.35 2.43 0.08 0.26 -4.83 117.98 114.28 3b8h s PHE 98 Ca 0.36 0.05 -0.11 0.00 0.12 0.00 0.00 56.93 57.34 3b8h s PHE 98 Cb -0.14 -0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.02 3b8h s PHE 98 CO 0.19 -0.10 0.21 -1.17 -0.10 0.00 0.00 175.22 174.25 3b8h s LEU 99 N 0.90 4.51 -0.28 -0.37 2.96 -0.21 -2.04 118.68 124.15 3b8h s LEU 99 Ca -0.08 -0.69 -0.08 0.00 -0.22 0.00 0.00 54.13 53.06 3b8h s LEU 99 Cb -0.12 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3b8h s LEU 99 CO -0.02 -0.29 0.11 -0.63 -1.32 0.00 0.00 176.35 174.19 3b8h s ILE 100 N 1.63 4.44 -0.44 6.68 1.01 0.11 -0.98 121.20 133.65 3b8h s ILE 100 Ca 0.04 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 3b8h s ILE 100 Cb -0.18 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.15 3b8h s ILE 100 CO 0.08 0.21 0.52 0.20 0.00 0.00 0.00 174.94 175.95 3b8h s ASN 101 N 1.61 6.23 -0.57 3.58 0.01 0.59 -0.07 114.94 126.32 3b8h s ASN 101 Ca 0.05 -0.66 -0.18 0.00 -0.71 0.00 0.00 52.86 51.37 3b8h s ASN 101 Cb -0.16 -2.26 0.11 0.00 0.41 0.00 0.00 41.25 39.35 3b8h s ASN 101 CO 0.05 -0.69 0.62 -0.22 -1.51 0.00 0.00 177.10 175.35 3b8h s LEU 102 N 2.39 5.67 -0.25 0.60 2.96 0.17 -1.10 118.68 129.12 3b8h s LEU 102 Ca 0.15 -1.55 -0.27 0.00 -0.22 0.00 0.00 54.13 52.25 3b8h s LEU 102 Cb -0.17 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.25 3b8h s LEU 102 CO 0.14 -1.01 0.93 -0.63 -1.32 0.00 0.00 176.35 174.46 3b8h s ILE 103 N 2.28 4.74 0.46 6.68 -1.09 0.12 -1.32 121.20 133.07 3b8h s ILE 103 Ca 0.08 1.72 -0.23 0.00 -2.23 0.00 0.00 60.65 60.00 3b8h s ILE 103 Cb -0.26 -4.22 -0.09 0.00 -1.58 0.00 0.00 42.46 36.30 3b8h s ILE 103 CO 0.05 -0.17 0.97 -0.67 -1.23 0.00 0.00 174.94 173.90 3b8h n ASP 104 N 6.23 1.04 -4.39 3.58 2.03 -0.39 -4.40 116.55 120.25 3b8h n ASP 104 Ca 0.08 0.97 -0.22 0.00 0.52 0.00 0.00 54.79 56.15 3b8h n ASP 104 Cb 0.47 -1.35 -0.10 0.00 -0.72 0.00 0.00 41.12 39.41 3b8h n ASP 104 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3b8h s SER 105 N -0.86 3.01 1.30 1.67 0.01 -1.26 -4.81 113.70 112.76 3b8h s SER 105 Ca 0.66 -0.98 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 3b8h s SER 105 Cb -0.52 -0.21 0.33 0.00 0.21 0.00 0.00 66.02 65.83 3b8h s SER 105 CO 0.55 -0.05 0.98 -2.84 0.41 0.00 0.00 173.24 172.29 3b8h s PRO 106 N -3.37 -1.97 -0.24 12.44 0.02 -1.26 -5.01 135.00 135.60 3b8h s PRO 106 Ca 0.24 0.40 0.01 0.00 0.02 0.00 0.00 61.00 61.67 3b8h s PRO 106 Cb -0.04 -1.47 -0.18 0.00 0.02 0.00 0.00 34.50 32.84 3b8h s PRO 106 CO 0.10 -4.31 -0.16 0.41 -0.33 0.00 0.00 177.00 172.71 3b8h n GLY 107 N 0.92 -0.38 3.46 0.52 0.00 -1.26 -4.99 105.19 103.46 3b8h n GLY 107 Ca 0.08 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3b8h n GLY 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3b8h s HIS 108 N -2.52 2.44 -0.52 1.61 5.65 -1.26 -4.63 115.29 116.07 3b8h s HIS 108 Ca -0.34 -0.31 0.19 0.00 0.25 0.00 0.00 55.06 54.86 3b8h s HIS 108 Cb 0.09 -1.28 0.89 0.00 -1.18 0.00 0.00 32.58 31.09 3b8h s HIS 108 CO 0.62 0.41 1.58 1.55 -0.65 0.00 0.00 174.74 178.25 3b8h n VAL 109 N 0.66 1.05 0.22 0.89 3.14 -1.26 -2.52 118.33 120.51 3b8h n VAL 109 Ca -0.15 0.43 0.06 0.00 -2.96 0.00 0.00 64.34 61.72 3b8h n VAL 109 Cb 0.54 -1.36 0.56 0.00 -1.06 0.00 0.00 33.84 32.52 3b8h n VAL 109 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3b8h h ASP 110 N 0.00 0.05 0.00 6.55 3.32 -1.97 -2.82 116.42 121.56 3b8h h ASP 110 Ca 0.00 -0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 3b8h h ASP 110 Cb 0.19 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3b8h h ASP 110 CO 0.00 0.11 0.67 0.49 -1.72 0.00 0.00 179.24 178.79 3b8h n PHE 111 N -4.45 0.58 -0.22 4.55 3.72 -1.05 -4.63 117.46 115.97 3b8h n PHE 111 Ca -0.02 -1.83 0.20 0.00 -0.05 0.00 0.00 57.45 55.75 3b8h n PHE 111 Cb 0.15 -1.77 0.55 0.00 -0.94 0.00 0.00 39.48 37.46 3b8h n PHE 111 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3b8h h SER 112 N 3.61 0.33 0.12 4.37 0.02 -1.77 0.58 113.55 120.81 3b8h h SER 112 Ca 0.35 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 3b8h h SER 112 Cb 1.16 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3b8h h SER 112 CO 0.62 0.13 -0.06 0.28 -1.14 0.00 0.00 176.83 176.67 3b8h h SER 113 N 0.33 -0.13 -0.70 3.07 0.02 -1.90 -2.88 113.55 111.37 3b8h h SER 113 Ca 0.46 -0.31 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 3b8h h SER 113 Cb 1.24 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 3b8h h SER 113 CO -0.15 0.26 0.37 -0.33 -1.14 0.00 0.00 176.83 175.84 3b8h h GLU 114 N -0.55 0.64 0.07 3.45 5.08 -1.48 -2.40 114.58 119.39 3b8h h GLU 114 Ca -0.02 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3b8h h GLU 114 Cb 0.44 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3b8h h GLU 114 CO 0.03 0.42 -0.47 0.28 -1.00 0.00 0.00 179.01 178.27 3b8h h VAL 115 N 0.66 0.09 -0.54 3.13 2.07 -0.95 -1.99 116.25 118.72 3b8h h VAL 115 Ca 0.33 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.88 3b8h h VAL 115 Cb 0.27 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 3b8h h VAL 115 CO -0.22 0.00 0.36 0.74 0.02 0.00 0.00 177.57 178.47 3b8h h THR 116 N -0.67 1.06 -0.05 2.57 2.02 -1.31 -2.35 112.91 114.18 3b8h h THR 116 Ca 0.02 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3b8h h THR 116 Cb 0.71 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3b8h h THR 116 CO -0.29 0.11 0.03 0.00 0.37 0.00 0.00 175.52 175.74 3b8h h ALA 117 N 1.69 0.06 -0.25 6.16 0.00 -0.86 -1.20 119.26 124.86 3b8h h ALA 117 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3b8h h ALA 117 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3b8h h ALA 117 CO -0.06 -0.44 0.07 0.00 0.00 0.00 0.00 179.25 178.82 3b8h h ALA 118 N 1.01 0.32 -0.50 0.00 0.00 -1.06 -3.15 119.26 115.89 3b8h h ALA 118 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3b8h h ALA 118 Cb -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3b8h h ALA 118 CO -0.00 -0.04 0.22 -0.07 0.00 0.00 0.00 179.25 179.36 3b8h h LEU 119 N 0.23 0.30 -2.48 0.00 3.38 -1.30 -2.91 115.31 112.52 3b8h h LEU 119 Ca 0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3b8h h LEU 119 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3b8h h LEU 119 CO -0.00 0.21 0.00 -0.09 0.09 0.00 0.00 178.44 178.64 3b8h h ARG 120 N 0.44 0.00 -0.36 1.13 2.43 -1.17 0.50 114.38 117.35 3b8h h ARG 120 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3b8h h ARG 120 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3b8h h ARG 120 CO -0.18 0.00 0.00 1.33 -1.51 0.00 0.00 179.97 179.61 3b8h n VAL 121 N -3.03 0.57 -4.23 0.20 0.24 -1.10 -4.95 118.33 106.01 3b8h n VAL 121 Ca -0.02 -0.78 -0.24 0.00 -2.04 0.00 0.00 64.34 61.26 3b8h n VAL 121 Cb 0.14 0.90 -0.07 0.00 -1.47 0.00 0.00 33.84 33.34 3b8h n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3b8h s THR 122 N -1.29 3.73 -0.01 3.34 -4.23 0.17 -4.82 115.64 112.52 3b8h s THR 122 Ca 0.34 -1.66 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 3b8h s THR 122 Cb 0.19 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 71.01 3b8h s THR 122 CO 0.27 -0.29 0.07 0.47 -0.54 0.00 0.00 174.62 174.60 3b8h n ASP 123 N -0.71 4.05 -4.31 3.99 10.43 0.16 -4.86 116.55 125.30 3b8h n ASP 123 Ca -0.08 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.12 3b8h n ASP 123 Cb 0.58 1.04 -0.10 0.00 1.84 0.00 0.00 41.12 44.48 3b8h n ASP 123 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3b8h s GLY 124 N -2.73 1.37 -0.02 0.44 0.00 -0.53 -1.28 107.32 104.57 3b8h s GLY 124 Ca -0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.04 3b8h s GLY 124 CO 0.17 -1.65 0.03 0.00 0.00 0.00 0.00 173.10 171.65 3b8h s ALA 125 N -3.32 -0.04 -0.54 3.20 0.00 0.48 -2.75 121.76 118.78 3b8h s ALA 125 Ca 0.23 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 3b8h s ALA 125 Cb 0.04 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 23.13 3b8h s ALA 125 CO 0.05 -0.05 0.59 -1.17 0.00 0.00 0.00 175.76 175.18 3b8h s LEU 126 N 0.38 5.56 -0.22 0.00 2.96 -0.58 -1.11 118.68 125.68 3b8h s LEU 126 Ca -0.03 -1.42 -0.19 0.00 -0.22 0.00 0.00 54.13 52.27 3b8h s LEU 126 Cb -0.04 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 3b8h s LEU 126 CO -0.01 -0.93 0.57 -0.69 -1.32 0.00 0.00 176.35 173.97 3b8h s VAL 127 N 2.22 5.05 -0.25 1.68 1.01 0.12 -1.62 120.40 128.60 3b8h s VAL 127 Ca 0.09 1.04 -0.07 0.00 0.00 0.00 0.00 61.98 63.04 3b8h s VAL 127 Cb -0.25 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3b8h s VAL 127 CO 0.06 0.11 0.06 -0.69 0.00 0.00 0.00 175.10 174.65 3b8h s VAL 128 N 2.01 4.20 0.21 2.92 1.01 -0.29 -1.13 120.40 129.33 3b8h s VAL 128 Ca 0.25 -0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.08 3b8h s VAL 128 Cb -0.16 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3b8h s VAL 128 CO 0.09 0.31 -0.22 0.68 0.00 0.00 0.00 175.10 175.97 3b8h s VAL 129 N 1.59 2.26 0.45 2.92 -7.23 -0.85 -4.55 120.40 115.00 3b8h s VAL 129 Ca 0.06 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 57.93 3b8h s VAL 129 Cb -0.15 -2.12 -0.10 0.00 0.56 0.00 0.00 36.38 34.58 3b8h s VAL 129 CO 0.03 -0.24 0.93 -0.62 -0.31 0.00 0.00 175.10 174.89 3b8h s ASP 130 N -2.91 6.80 -0.04 4.85 2.15 -0.80 -0.35 116.67 126.37 3b8h s ASP 130 Ca 0.22 1.58 -0.15 0.00 0.43 0.00 0.00 52.55 54.63 3b8h s ASP 130 Cb -0.06 -2.50 -0.09 0.00 -0.30 0.00 0.00 42.92 39.96 3b8h s ASP 130 CO 0.10 -0.42 0.64 0.74 -0.17 0.00 0.00 175.17 176.06 3b8h h THR 131 N 1.55 0.13 0.69 1.71 2.02 -1.53 -2.12 112.91 115.36 3b8h h THR 131 Ca -0.48 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 3b8h h THR 131 Cb 1.18 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3b8h h THR 131 CO 0.62 0.03 -0.33 0.40 0.37 0.00 0.00 175.52 176.61 3b8h h ILE 132 N -1.10 0.00 0.03 3.11 5.03 -1.85 -3.32 117.51 119.42 3b8h h ILE 132 Ca -0.05 -0.10 -0.23 0.00 -0.12 0.00 0.00 64.86 64.36 3b8h h ILE 132 Cb 0.41 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.20 3b8h h ILE 132 CO 0.08 0.00 -1.00 -0.33 -0.68 0.00 0.00 178.15 176.22 3b8h h GLU 133 N -1.04 0.32 0.00 2.37 5.08 -1.99 -3.49 114.58 115.84 3b8h h GLU 133 Ca -0.10 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3b8h h GLU 133 Cb 0.71 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3b8h h GLU 133 CO 0.16 1.09 0.00 0.41 -1.00 0.00 0.00 179.01 179.67 3b8h n GLY 134 N 1.07 1.16 3.55 -3.84 0.00 -0.80 -4.79 105.19 101.55 3b8h n GLY 134 Ca -0.06 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3b8h n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8h s VAL 135 N 0.00 4.87 0.36 1.61 1.01 -1.26 -1.90 120.40 125.09 3b8h s VAL 135 Ca 0.00 0.35 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 3b8h s VAL 135 Cb 0.00 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 3b8h s VAL 135 CO 0.00 -0.44 0.80 0.00 0.00 0.00 0.00 175.10 175.46 3b8h h VAL 137 N 1.86 0.56 0.18 0.00 2.07 -1.92 -1.78 116.25 117.21 3b8h h VAL 137 Ca -0.48 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3b8h h VAL 137 Cb 1.18 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3b8h h VAL 137 CO 0.64 0.00 -0.09 -0.61 0.02 0.00 0.00 177.57 177.54 3b8h h GLN 138 N 0.00 -0.23 -0.13 1.57 4.15 -1.93 -2.35 115.11 116.19 3b8h h GLN 138 Ca 0.11 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 3b8h h GLN 138 Cb 0.57 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 3b8h h GLN 138 CO -0.00 0.18 0.05 1.15 -1.93 0.00 0.00 178.83 178.28 3b8h h THR 139 N -0.85 1.06 -0.16 2.39 2.02 -1.87 -0.63 112.91 114.88 3b8h h THR 139 Ca -0.02 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 3b8h h THR 139 Cb 0.52 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3b8h h THR 139 CO 0.04 0.07 -0.22 -0.08 0.37 0.00 0.00 175.52 175.70 3b8h h GLU 140 N 0.18 0.28 0.01 6.66 4.81 -1.33 -1.75 114.58 123.44 3b8h h GLU 140 Ca 0.05 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3b8h h GLU 140 Cb 0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3b8h h GLU 140 CO -0.00 0.49 -0.18 1.15 -0.73 0.00 0.00 179.01 179.74 3b8h h THR 141 N 0.25 1.62 -0.50 0.32 2.02 -0.57 -2.86 112.91 113.20 3b8h h THR 141 Ca 0.04 -2.07 -0.02 0.00 0.77 0.00 0.00 66.41 65.14 3b8h h THR 141 Cb 0.53 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.90 3b8h h THR 141 CO 0.04 0.55 0.25 0.58 0.37 0.00 0.00 175.52 177.31 3b8h h VAL 142 N -0.68 1.19 -0.92 3.16 2.07 -1.42 -2.29 116.25 117.36 3b8h h VAL 142 Ca -0.03 -0.52 0.15 0.00 0.82 0.00 0.00 66.70 67.12 3b8h h VAL 142 Cb 1.01 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 3b8h h VAL 142 CO 0.03 0.21 0.52 0.25 0.02 0.00 0.00 177.57 178.60 3b8h h LEU 143 N 0.66 0.69 -1.29 2.57 5.85 -1.42 0.12 115.31 122.49 3b8h h LEU 143 Ca 0.17 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3b8h h LEU 143 Cb 0.10 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3b8h h LEU 143 CO -0.02 0.30 0.40 -0.09 -0.34 0.00 0.00 178.44 178.69 3b8h h ARG 144 N 0.75 0.88 -0.25 1.25 2.43 -1.18 -0.42 114.38 117.84 3b8h h ARG 144 Ca 0.49 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.40 3b8h h ARG 144 Cb 0.65 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3b8h h ARG 144 CO -0.34 0.62 -0.61 1.96 -1.51 0.00 0.00 179.97 180.09 3b8h h GLN 145 N 0.90 0.85 -0.85 0.20 1.08 -0.55 -2.56 115.11 114.18 3b8h h GLN 145 Ca 0.24 -0.58 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3b8h h GLN 145 Cb -0.04 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 3b8h h GLN 145 CO -0.05 1.21 0.52 0.00 -0.95 0.00 0.00 178.83 179.56 3b8h h ALA 146 N 0.66 1.31 0.00 3.87 0.00 -0.19 -0.62 119.26 124.29 3b8h h ALA 146 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3b8h h ALA 146 Cb 1.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3b8h h ALA 146 CO 0.13 0.60 -0.30 -0.07 0.00 0.00 0.00 179.25 179.61 3b8h h LEU 147 N 1.18 0.00 -1.62 0.00 3.38 -1.04 -0.42 115.31 116.79 3b8h h LEU 147 Ca 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3b8h h LEU 147 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3b8h h LEU 147 CO -0.06 0.30 -0.21 1.23 0.09 0.00 0.00 178.44 179.80 3b8h h GLY 148 N 1.15 0.00 -0.21 0.83 0.00 -0.70 -1.41 103.07 102.73 3b8h h GLY 148 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3b8h h GLY 148 CO 0.04 0.00 -0.13 1.18 0.00 0.00 0.00 176.54 177.63 3b8h n GLU 149 N -3.88 1.30 -2.35 4.80 -0.58 -0.64 -4.93 120.64 114.36 3b8h n GLU 149 Ca -0.02 -0.79 -0.14 0.00 -0.42 0.00 0.00 57.16 55.79 3b8h n GLU 149 Cb 0.30 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.68 3b8h n GLU 149 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3b8h n ARG 150 N -0.17 -1.49 -2.62 3.49 1.74 -0.53 -4.95 116.66 112.13 3b8h n ARG 150 Ca 0.15 0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 57.51 3b8h n ARG 150 Cb 0.36 -4.97 -0.05 0.00 -1.02 0.00 0.00 32.46 26.78 3b8h n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3b8h s ILE 151 N -2.75 3.98 -0.11 0.55 1.01 -0.26 -4.96 121.20 118.65 3b8h s ILE 151 Ca 0.03 1.83 -0.23 0.00 0.00 0.00 0.00 60.65 62.29 3b8h s ILE 151 Cb -0.01 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3b8h s ILE 151 CO 0.04 0.37 0.68 -0.75 0.00 0.00 0.00 174.94 175.28 3b8h s LYS 152 N -0.77 4.37 0.24 2.79 2.20 -0.41 -4.50 119.74 123.66 3b8h s LYS 152 Ca 0.45 0.80 -0.19 0.00 -0.36 0.00 0.00 55.97 56.67 3b8h s LYS 152 Cb -0.28 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 3b8h s LYS 152 CO 0.34 -0.02 0.74 -2.14 -0.36 0.00 0.00 175.35 173.91 3b8h s PRO 153 N 1.13 4.23 -0.04 4.03 0.02 -1.26 -0.39 135.00 142.72 3b8h s PRO 153 Ca 0.35 0.87 -0.01 0.00 0.02 0.00 0.00 61.00 62.22 3b8h s PRO 153 Cb -0.17 -2.81 0.03 0.00 0.02 0.00 0.00 34.50 31.57 3b8h s PRO 153 CO 0.15 0.35 0.07 0.54 -0.33 0.00 0.00 177.00 177.79 3b8h s VAL 154 N -1.59 -0.08 -0.07 3.83 0.11 -0.26 -4.91 120.40 117.42 3b8h s VAL 154 Ca 0.45 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.75 3b8h s VAL 154 Cb -0.16 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 3b8h s VAL 154 CO 0.21 0.11 0.00 -0.69 -3.33 0.00 0.00 175.10 171.39 3b8h s VAL 155 N 1.40 4.28 -0.08 2.04 1.01 -0.96 0.13 120.40 128.21 3b8h s VAL 155 Ca -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3b8h s VAL 155 Cb -0.12 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3b8h s VAL 155 CO -0.04 0.57 -0.09 0.54 0.00 0.00 0.00 175.10 176.08 3b8h s VAL 156 N -0.92 0.97 -0.42 2.92 0.11 -0.28 -0.76 120.40 122.02 3b8h s VAL 156 Ca 0.14 -0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 58.63 3b8h s VAL 156 Cb -0.11 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.81 3b8h s VAL 156 CO 0.04 0.33 0.74 -0.63 -3.33 0.00 0.00 175.10 172.25 3b8h s ILE 157 N 1.09 4.73 0.53 7.04 1.01 0.31 -2.00 121.20 133.90 3b8h s ILE 157 Ca -0.07 0.49 0.09 0.00 0.00 0.00 0.00 60.65 61.16 3b8h s ILE 157 Cb -0.14 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.14 3b8h s ILE 157 CO -0.01 -0.59 0.70 0.21 0.00 0.00 0.00 174.94 175.25 3b8h s ASN 158 N 2.01 5.22 -1.36 3.58 2.47 0.53 -2.24 114.94 125.15 3b8h s ASN 158 Ca 0.28 -0.76 -0.08 0.00 0.42 0.00 0.00 52.86 52.73 3b8h s ASN 158 Cb -0.13 0.03 0.02 0.00 -1.45 0.00 0.00 41.25 39.72 3b8h s ASN 158 CO 0.20 -1.16 1.11 0.29 -3.72 0.00 0.00 177.10 173.82 3b8h n LYS 159 N -2.09 -7.26 0.06 0.43 5.02 -1.14 -1.64 118.16 111.53 3b8h n LYS 159 Ca 0.12 0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 57.08 3b8h n LYS 159 Cb 0.61 -5.79 -0.02 0.00 -0.02 0.00 0.00 35.03 29.81 3b8h n LYS 159 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3b8h h VAL 160 N -2.45 1.39 -0.76 -0.18 2.07 -1.75 -3.20 116.25 111.36 3b8h h VAL 160 Ca -0.58 -2.32 0.11 0.00 0.82 0.00 0.00 66.70 64.73 3b8h h VAL 160 Cb 1.37 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 33.38 3b8h h VAL 160 CO 0.57 0.70 0.50 -2.24 0.02 0.00 0.00 177.57 177.12 3b8h h ASP 161 N 0.26 0.56 -0.81 0.57 2.03 -1.91 -1.18 116.42 115.94 3b8h h ASP 161 Ca -0.06 0.02 0.05 0.00 -0.73 0.00 0.00 57.03 56.30 3b8h h ASP 161 Cb 1.48 -0.10 -0.05 0.00 -0.83 0.00 0.00 39.33 39.83 3b8h h ASP 161 CO 0.15 0.32 0.51 0.03 -1.03 0.00 0.00 179.24 179.22 3b8h h ARG 162 N 0.61 0.93 0.00 4.15 3.08 -1.95 -0.47 114.38 120.73 3b8h h ARG 162 Ca 0.36 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 3b8h h ARG 162 Cb 0.57 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3b8h h ARG 162 CO -0.13 0.62 -0.23 0.00 -1.07 0.00 0.00 179.97 179.15 3b8h h ALA 163 N 1.36 1.57 0.00 0.04 0.00 -1.35 -2.90 119.26 117.98 3b8h h ALA 163 Ca 0.34 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3b8h h ALA 163 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3b8h h ALA 163 CO -0.14 0.29 -0.50 -0.07 0.00 0.00 0.00 179.25 178.83 3b8h h LEU 164 N 0.00 0.00 0.23 0.00 3.38 -1.08 -3.15 115.31 114.68 3b8h h LEU 164 Ca -0.00 -0.74 -0.32 0.00 0.09 0.00 0.00 57.88 56.90 3b8h h LEU 164 Cb 0.42 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.20 3b8h h LEU 164 CO 0.03 1.16 -1.43 -0.07 0.09 0.00 0.00 178.44 178.22 3b8h h LEU 165 N -1.00 0.77 0.00 1.67 3.38 -1.20 -2.42 115.31 116.51 3b8h h LEU 165 Ca -0.14 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.01 3b8h h LEU 165 Cb 1.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3b8h h LEU 165 CO -0.08 1.64 -0.68 -1.84 0.09 0.00 0.00 178.44 177.57 3b8h n GLU 166 N -3.68 2.58 -0.01 1.13 0.28 -1.10 -4.36 120.64 115.48 3b8h n GLU 166 Ca -0.15 -0.01 0.07 0.00 -0.16 0.00 0.00 57.16 56.91 3b8h n GLU 166 Cb 1.09 -1.12 -0.11 0.00 1.43 0.00 0.00 31.44 32.73 3b8h n GLU 166 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3b8h n LEU 167 N -1.35 0.01 -3.39 -1.84 4.77 -1.24 -5.06 117.00 108.90 3b8h n LEU 167 Ca 0.02 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.75 3b8h n LEU 167 Cb 0.21 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3b8h n LEU 167 CO 0.26 0.00 -0.13 0.00 -1.33 0.00 0.00 177.39 176.20 3b8h n GLN 168 N -1.97 -1.86 -4.02 3.23 6.02 -0.91 -4.99 117.38 112.88 3b8h n GLN 168 Ca -0.02 1.42 -0.21 0.00 -0.01 0.00 0.00 57.00 58.17 3b8h n GLN 168 Cb 0.35 -3.31 -0.03 0.00 1.02 0.00 0.00 30.24 28.27 3b8h n GLN 168 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3b8h s VAL 169 N -2.26 4.71 0.70 5.09 -7.23 -1.24 -5.07 120.40 115.10 3b8h s VAL 169 Ca 0.22 -1.22 -0.06 0.00 -1.81 0.00 0.00 61.98 59.10 3b8h s VAL 169 Cb -0.03 -3.57 0.06 0.00 0.56 0.00 0.00 36.38 33.40 3b8h s VAL 169 CO 0.84 -0.33 1.01 -0.94 -0.31 0.00 0.00 175.10 175.38 3b8h s SER 170 N -3.92 4.83 0.40 4.85 1.04 -1.26 -4.91 113.70 114.73 3b8h s SER 170 Ca 0.34 0.44 0.10 0.00 0.48 0.00 0.00 55.95 57.32 3b8h s SER 170 Cb -0.08 -1.10 0.82 0.00 0.10 0.00 0.00 66.02 65.76 3b8h s SER 170 CO 0.27 -1.58 1.93 0.11 0.98 0.00 0.00 173.24 174.94 3b8h h LYS 171 N -0.58 0.19 0.00 4.02 1.57 -1.96 -1.64 116.57 118.17 3b8h h LYS 171 Ca -0.44 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.19 3b8h h LYS 171 Cb 1.32 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 3b8h h LYS 171 CO 0.60 0.34 -0.73 1.49 -0.57 0.00 0.00 179.45 180.58 3b8h h GLU 172 N 0.18 0.00 0.24 3.15 4.57 -1.97 -2.38 114.58 118.36 3b8h h GLU 172 Ca 0.04 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.90 3b8h h GLU 172 Cb 0.38 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.00 3b8h h GLU 172 CO 0.02 0.34 -1.40 -0.44 -1.18 0.00 0.00 179.01 176.35 3b8h h ASP 173 N 0.00 0.79 -0.88 1.04 3.32 -1.90 -2.58 116.42 116.21 3b8h h ASP 173 Ca -0.04 -0.93 -0.00 0.00 0.02 0.00 0.00 57.03 56.08 3b8h h ASP 173 Cb 1.36 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 3b8h h ASP 173 CO 0.05 1.68 0.54 0.25 -1.72 0.00 0.00 179.24 180.03 3b8h h LEU 174 N 0.07 1.05 -0.38 1.55 5.85 -1.36 -1.53 115.31 120.56 3b8h h LEU 174 Ca -0.25 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 3b8h h LEU 174 Cb 2.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 3b8h h LEU 174 CO 0.26 0.80 -0.05 0.22 -0.34 0.00 0.00 178.44 179.33 3b8h h TYR 175 N 1.21 0.78 0.00 1.25 3.20 -1.51 -2.69 116.97 119.21 3b8h h TYR 175 Ca 0.32 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3b8h h TYR 175 Cb -0.06 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 3b8h h TYR 175 CO -0.00 0.82 -0.04 1.96 -1.64 0.00 0.00 178.16 179.25 3b8h h GLN 176 N 0.51 0.00 0.10 1.82 1.08 -1.09 -0.99 115.11 116.55 3b8h h GLN 176 Ca 0.10 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.01 3b8h h GLN 176 Cb 0.54 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.00 3b8h h GLN 176 CO 0.03 0.04 -1.19 1.15 -0.95 0.00 0.00 178.83 177.91 3b8h h THR 177 N 0.00 1.29 -0.43 -0.54 2.02 -1.02 -2.58 112.91 111.65 3b8h h THR 177 Ca -0.00 -2.42 -0.02 0.00 0.77 0.00 0.00 66.41 64.74 3b8h h THR 177 Cb 0.23 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 3b8h h THR 177 CO 0.01 0.74 0.17 -0.26 0.37 0.00 0.00 175.52 176.54 3b8h h PHE 178 N 0.26 0.66 -0.70 3.16 0.04 -1.06 0.11 116.94 119.41 3b8h h PHE 178 Ca -0.18 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.59 3b8h h PHE 178 Cb 1.86 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 39.77 3b8h h PHE 178 CO 0.12 0.57 0.42 0.00 -0.60 0.00 0.00 178.31 178.82 3b8h h ALA 179 N 1.02 0.94 -0.03 2.45 0.00 -1.27 0.40 119.26 122.77 3b8h h ALA 179 Ca 0.14 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3b8h h ALA 179 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3b8h h ALA 179 CO -0.01 0.14 -0.64 0.00 0.00 0.00 0.00 179.25 178.74 3b8h h ARG 180 N 0.79 0.11 0.06 0.00 3.08 -1.22 -0.72 114.38 116.47 3b8h h ARG 180 Ca 0.30 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3b8h h ARG 180 Cb 0.12 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3b8h h ARG 180 CO -0.15 0.71 -0.03 1.15 -1.07 0.00 0.00 179.97 180.58 3b8h h THR 181 N 0.08 1.28 -0.73 2.04 2.02 -0.09 -0.49 112.91 117.01 3b8h h THR 181 Ca -0.01 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 65.91 3b8h h THR 181 Cb 1.14 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 69.62 3b8h h THR 181 CO 0.09 0.31 0.48 0.58 0.37 0.00 0.00 175.52 177.36 3b8h h VAL 182 N -0.67 1.12 -0.62 3.16 2.07 -0.27 -0.91 116.25 120.14 3b8h h VAL 182 Ca -0.01 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3b8h h VAL 182 Cb 0.57 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3b8h h VAL 182 CO 0.01 0.16 0.14 -0.08 0.02 0.00 0.00 177.57 177.82 3b8h h GLU 183 N 0.90 0.99 -0.37 1.57 4.57 -1.10 -1.16 114.58 119.98 3b8h h GLU 183 Ca 0.29 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3b8h h GLU 183 Cb 0.03 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3b8h h GLU 183 CO -0.08 0.91 0.21 0.77 -1.18 0.00 0.00 179.01 179.64 3b8h h SER 184 N 0.91 0.33 -0.59 1.04 0.02 -0.02 -0.98 113.55 114.26 3b8h h SER 184 Ca 0.19 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3b8h h SER 184 Cb 0.37 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3b8h h SER 184 CO 0.00 0.24 0.32 0.58 -1.14 0.00 0.00 176.83 176.84 3b8h h VAL 185 N 0.43 1.20 0.00 2.27 2.07 -1.01 -3.01 116.25 118.20 3b8h h VAL 185 Ca 0.15 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3b8h h VAL 185 Cb 0.02 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3b8h h VAL 185 CO -0.08 0.21 -0.45 0.78 0.02 0.00 0.00 177.57 178.06 3b8h h ASN 186 N 0.80 0.00 -0.74 0.57 2.35 -0.92 -1.97 115.58 115.67 3b8h h ASN 186 Ca 0.21 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.04 3b8h h ASN 186 Cb 0.06 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.36 3b8h h ASN 186 CO -0.03 0.45 0.40 0.58 -1.65 0.00 0.00 177.43 177.18 3b8h h VAL 187 N 0.00 0.90 0.40 2.81 2.07 -1.04 -1.81 116.25 119.58 3b8h h VAL 187 Ca -0.00 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3b8h h VAL 187 Cb 0.93 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3b8h h VAL 187 CO 0.06 0.13 -0.19 0.40 0.02 0.00 0.00 177.57 177.98 3b8h h ILE 188 N 0.69 0.37 0.02 4.57 2.04 -1.44 -2.96 117.51 120.79 3b8h h ILE 188 Ca 0.35 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3b8h h ILE 188 Cb 0.32 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 3b8h h ILE 188 CO -0.24 0.07 -0.49 0.58 0.00 0.00 0.00 178.15 178.08 3b8h h VAL 189 N -1.00 0.00 -0.22 1.67 2.07 -1.30 -0.36 116.25 117.12 3b8h h VAL 189 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 3b8h h VAL 189 Cb 0.54 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3b8h h VAL 189 CO 0.09 0.00 0.18 0.77 0.02 0.00 0.00 177.57 178.63 3b8h h SER 190 N -0.63 0.00 0.06 0.57 4.64 -1.48 0.17 113.55 116.88 3b8h h SER 190 Ca 0.01 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.11 3b8h h SER 190 Cb 0.66 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.77 3b8h h SER 190 CO -0.31 0.00 -0.89 0.74 -0.87 0.00 0.00 176.83 175.50 3b8h h THR 191 N 0.00 1.38 -0.00 2.95 2.02 -1.04 -3.39 112.91 114.82 3b8h h THR 191 Ca 0.10 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.00 3b8h h THR 191 Cb 0.47 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 3b8h h THR 191 CO -0.00 0.68 -0.43 -1.22 0.37 0.00 0.00 175.52 174.92 3b8h n TYR 192 N -4.03 0.00 -2.80 3.16 4.01 -0.27 -4.40 117.16 112.84 3b8h n TYR 192 Ca -0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.27 3b8h n TYR 192 Cb 0.82 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.78 3b8h n TYR 192 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b8h s ALA 193 N -1.87 3.12 0.24 -0.72 0.00 0.55 -4.71 121.76 118.37 3b8h s ALA 193 Ca 0.06 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3b8h s ALA 193 Cb 0.09 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 3b8h s ALA 193 CO 0.40 0.15 1.38 -0.51 0.00 0.00 0.00 175.76 177.19 3b8h s ASP 194 N -1.93 6.75 0.41 0.00 1.11 -1.26 -4.91 116.67 116.83 3b8h s ASP 194 Ca 0.57 2.58 0.21 0.00 0.18 0.00 0.00 52.55 56.09 3b8h s ASP 194 Cb -0.13 -2.62 0.82 0.00 1.07 0.00 0.00 42.92 42.05 3b8h s ASP 194 CO 0.18 -0.63 1.79 -0.33 1.18 0.00 0.00 175.17 177.36 3b8h h GLU 195 N 5.00 0.00 -0.03 8.23 5.08 -1.95 -2.57 114.58 128.34 3b8h h GLU 195 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3b8h h GLU 195 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3b8h h GLU 195 CO 0.76 0.30 0.02 0.28 -1.00 0.00 0.00 179.01 179.37 3b8h h VAL 196 N 0.00 1.00 0.00 3.13 2.07 -2.05 -0.74 116.25 119.66 3b8h h VAL 196 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3b8h h VAL 196 Cb 0.80 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3b8h h VAL 196 CO 0.04 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.81 3b8h n LEU 197 N -4.53 0.00 0.00 2.57 4.77 -0.97 -4.99 117.00 113.85 3b8h n LEU 197 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3b8h n LEU 197 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3b8h n LEU 197 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3b8h n GLY 198 N 0.60 1.21 3.58 -0.72 0.00 -0.29 -4.63 105.19 104.94 3b8h n GLY 198 Ca 0.18 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 3b8h n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b8h s ASP 199 N -4.00 6.22 0.00 1.61 2.15 -1.26 -4.73 116.67 116.65 3b8h s ASP 199 Ca 0.00 0.04 0.15 0.00 0.43 0.00 0.00 52.55 53.17 3b8h s ASP 199 Cb 0.00 -2.20 0.14 0.00 -0.30 0.00 0.00 42.92 40.56 3b8h s ASP 199 CO 0.00 -0.26 1.01 0.52 -0.17 0.00 0.00 175.17 176.26 3b8h n VAL 200 N 5.19 0.09 -1.50 1.11 0.31 -1.26 -5.02 118.33 117.25 3b8h n VAL 200 Ca -0.09 -0.54 -0.35 0.00 -0.01 0.00 0.00 64.34 63.35 3b8h n VAL 200 Cb 0.50 1.24 0.09 0.00 -0.91 0.00 0.00 33.84 34.76 3b8h n VAL 200 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3b8h s GLN 201 N -1.22 2.23 -0.09 5.55 -0.21 -1.26 -4.71 119.66 119.94 3b8h s GLN 201 Ca 0.19 1.81 -0.09 0.00 0.02 0.00 0.00 55.36 57.28 3b8h s GLN 201 Cb 0.13 -1.84 -0.05 0.00 1.00 0.00 0.00 33.01 32.25 3b8h s GLN 201 CO 0.19 -1.78 0.22 0.14 -2.12 0.00 0.00 175.29 171.94 3b8h s VAL 202 N -1.88 5.37 -0.06 1.09 -7.23 -1.26 -5.09 120.40 111.33 3b8h s VAL 202 Ca 0.76 0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 61.31 3b8h s VAL 202 Cb -0.30 -3.49 0.03 0.00 0.56 0.00 0.00 36.38 33.17 3b8h s VAL 202 CO 0.44 0.59 -0.01 -0.31 -0.31 0.00 0.00 175.10 175.50 3b8h s TYR 203 N -0.91 0.71 0.42 2.82 2.02 -1.26 -4.97 117.35 116.18 3b8h s TYR 203 Ca 0.17 -0.20 0.10 0.00 -0.37 0.00 0.00 57.07 56.77 3b8h s TYR 203 Cb -0.13 -0.77 0.92 0.00 -0.40 0.00 0.00 41.96 41.58 3b8h s TYR 203 CO 0.06 -0.29 2.02 -1.35 -1.57 0.00 0.00 175.55 174.42 3b8h h PRO 204 N 7.98 0.49 0.00 -1.71 0.11 -1.89 -1.35 132.00 135.63 3b8h h PRO 204 Ca -0.26 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3b8h h PRO 204 Cb 1.13 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3b8h h PRO 204 CO 0.33 0.32 -0.25 0.00 -0.21 0.00 0.00 178.00 178.19 3b8h h ALA 205 N 1.72 1.09 -0.02 -0.75 0.00 -1.94 -2.63 119.26 116.73 3b8h h ALA 205 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3b8h h ALA 205 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3b8h h ALA 205 CO -0.05 0.32 -0.10 0.54 0.00 0.00 0.00 179.25 179.95 3b8h n ARG 206 N -3.52 1.57 -1.32 0.00 1.74 -0.53 -4.45 116.66 110.15 3b8h n ARG 206 Ca -0.00 -1.05 -0.00 0.00 -0.77 0.00 0.00 57.85 56.02 3b8h n ARG 206 Cb 0.41 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3b8h n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b8h n GLY 207 N 1.27 0.38 1.50 -0.13 0.00 -0.99 -4.93 105.19 102.29 3b8h n GLY 207 Ca 0.16 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.24 3b8h n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3b8h n THR 208 N -3.31 1.92 -3.69 2.61 -2.24 -1.06 -4.75 114.28 103.75 3b8h n THR 208 Ca -0.00 -1.27 -0.17 0.00 -2.27 0.00 0.00 64.05 60.33 3b8h n THR 208 Cb 0.16 0.08 -0.17 0.00 -2.10 0.00 0.00 70.33 68.31 3b8h n THR 208 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3b8h s VAL 209 N -1.97 -0.14 0.31 2.28 1.01 -1.25 -2.28 120.40 118.35 3b8h s VAL 209 Ca 0.49 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.90 3b8h s VAL 209 Cb 0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.47 3b8h s VAL 209 CO 0.22 0.14 0.13 0.00 0.00 0.00 0.00 175.10 175.59 3b8h s ALA 210 N 1.93 3.46 0.01 5.51 0.00 0.06 -4.40 121.76 128.32 3b8h s ALA 210 Ca 0.01 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.27 3b8h s ALA 210 Cb -0.12 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 3b8h s ALA 210 CO -0.04 0.12 -0.03 -0.06 0.00 0.00 0.00 175.76 175.75 3b8h s PHE 211 N -2.35 0.29 -2.37 0.00 0.40 -0.25 -0.53 117.98 113.17 3b8h s PHE 211 Ca 0.36 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 3b8h s PHE 211 Cb -0.05 -0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.30 3b8h s PHE 211 CO 0.23 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.52 3b8h n GLY 212 N 2.68 -0.57 2.85 4.36 0.00 -0.95 0.01 105.19 113.57 3b8h n GLY 212 Ca -0.15 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 3b8h n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b8h s SER 213 N -4.00 0.76 0.31 1.61 0.15 0.10 -2.53 113.70 110.11 3b8h s SER 213 Ca 0.00 0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.99 3b8h s SER 213 Cb 0.00 0.31 0.50 0.00 -1.71 0.00 0.00 66.02 65.12 3b8h s SER 213 CO 0.00 -0.25 1.85 1.23 1.20 0.00 0.00 173.24 177.27 3b8h h GLY 214 N 8.36 0.74 0.34 9.45 0.00 -1.93 -0.37 103.07 119.66 3b8h h GLY 214 Ca -0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3b8h h GLY 214 CO 0.15 0.40 -0.23 -2.00 0.00 0.00 0.00 176.54 174.86 3b8h h LEU 215 N 0.66 -0.58 -0.66 3.11 6.46 -1.95 -3.10 115.31 119.25 3b8h h LEU 215 Ca 0.15 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 3b8h h LEU 215 Cb 0.30 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 3b8h h LEU 215 CO 0.00 -0.34 0.31 0.45 -0.62 0.00 0.00 178.44 178.24 3b8h h HIS 216 N -0.53 0.96 0.00 1.25 3.86 -1.94 -3.47 115.15 115.28 3b8h h HIS 216 Ca -0.05 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3b8h h HIS 216 Cb 0.43 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3b8h h HIS 216 CO -0.02 0.73 0.00 0.41 0.86 0.00 0.00 177.93 179.91 3b8h n GLY 217 N -0.93 1.61 3.35 2.45 0.00 -0.20 -4.73 105.19 106.74 3b8h n GLY 217 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 3b8h n GLY 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3b8h s TRP 218 N -2.00 1.94 -0.18 1.61 1.48 -0.88 -1.85 118.94 119.06 3b8h s TRP 218 Ca 0.00 -0.43 -0.31 0.00 -1.06 0.00 0.00 56.10 54.30 3b8h s TRP 218 Cb 0.00 -0.97 0.14 0.00 -1.16 0.00 0.00 33.47 31.48 3b8h s TRP 218 CO 0.00 0.36 1.11 0.00 -4.06 0.00 0.00 176.95 174.36 3b8h s ALA 219 N -1.87 -1.99 0.04 2.67 0.00 -0.77 0.02 121.76 119.86 3b8h s ALA 219 Ca 0.16 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 3b8h s ALA 219 Cb -0.07 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3b8h s ALA 219 CO 0.07 -0.38 0.24 -0.59 0.00 0.00 0.00 175.76 175.10 3b8h s PHE 220 N -1.54 -0.01 0.21 0.00 -0.12 0.10 -4.39 117.98 112.24 3b8h s PHE 220 Ca 0.04 -0.18 0.09 0.00 -0.05 0.00 0.00 56.93 56.82 3b8h s PHE 220 Cb -0.01 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 3b8h s PHE 220 CO -0.03 -0.46 -0.05 0.95 -0.05 0.00 0.00 175.22 175.58 3b8h s THR 221 N -2.57 3.33 0.13 -4.49 -4.23 -1.26 -1.09 115.64 105.45 3b8h s THR 221 Ca -0.05 -1.74 0.32 0.00 -1.18 0.00 0.00 61.69 59.04 3b8h s THR 221 Cb -0.01 -2.70 0.32 0.00 1.34 0.00 0.00 72.50 71.45 3b8h s THR 221 CO -0.04 -0.21 1.96 0.40 -0.54 0.00 0.00 174.62 176.19 3b8h h ILE 222 N 2.39 0.00 0.03 2.99 2.04 -1.77 -0.50 117.51 122.68 3b8h h ILE 222 Ca -0.46 -0.06 -0.24 0.00 1.00 0.00 0.00 64.86 65.10 3b8h h ILE 222 Cb 1.22 0.79 0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3b8h h ILE 222 CO 0.57 0.00 -1.02 -0.09 0.00 0.00 0.00 178.15 177.61 3b8h h ARG 223 N 0.00 0.46 0.11 2.37 2.43 -1.90 -2.88 114.38 114.98 3b8h h ARG 223 Ca 0.00 -0.53 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 3b8h h ARG 223 Cb 0.07 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3b8h h ARG 223 CO 0.00 1.18 -0.05 1.96 -1.51 0.00 0.00 179.97 181.55 3b8h h GLN 224 N 0.24 -0.14 -0.58 0.20 4.20 -1.49 -0.07 115.11 117.48 3b8h h GLN 224 Ca -0.10 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3b8h h GLN 224 Cb 1.67 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.44 3b8h h GLN 224 CO 0.18 -0.02 0.34 0.74 -0.67 0.00 0.00 178.83 179.40 3b8h h PHE 225 N -0.24 0.63 -0.48 2.96 -1.00 -1.65 -2.18 116.94 114.97 3b8h h PHE 225 Ca -0.02 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3b8h h PHE 225 Cb 0.19 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 3b8h h PHE 225 CO -0.04 0.34 0.28 0.00 -1.61 0.00 0.00 178.31 177.28 3b8h h ALA 226 N 1.27 1.58 -0.16 2.45 0.00 -1.28 -1.10 119.26 122.02 3b8h h ALA 226 Ca 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3b8h h ALA 226 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3b8h h ALA 226 CO -0.12 0.36 -0.23 1.15 0.00 0.00 0.00 179.25 180.42 3b8h h THR 227 N 0.67 1.23 0.04 0.00 2.02 -0.39 -2.26 112.91 114.22 3b8h h THR 227 Ca 0.17 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 3b8h h THR 227 Cb -0.00 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3b8h h THR 227 CO -0.03 0.33 -0.02 0.03 0.37 0.00 0.00 175.52 176.20 3b8h h ARG 228 N 0.26 -0.05 0.00 6.66 3.08 -0.87 -3.02 114.38 120.44 3b8h h ARG 228 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3b8h h ARG 228 Cb 0.55 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3b8h h ARG 228 CO 0.04 0.58 0.00 0.66 -1.07 0.00 0.00 179.97 180.18 3b8h n TYR 229 N -4.79 0.51 0.07 3.04 4.02 -0.53 -0.38 117.16 119.11 3b8h n TYR 229 Ca -0.09 0.25 0.10 0.00 -0.01 0.00 0.00 57.90 58.16 3b8h n TYR 229 Cb 0.32 -0.90 -0.05 0.00 -0.02 0.00 0.00 39.34 38.69 3b8h n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3b8h n ALA 230 N -1.69 2.54 -0.04 -0.72 0.00 -0.86 -3.52 120.51 116.23 3b8h n ALA 230 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 53.44 53.13 3b8h n ALA 230 Cb 0.05 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 3b8h n ALA 230 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b8h n LYS 231 N -2.60 0.85 0.00 0.00 5.02 -0.09 -3.98 118.16 117.36 3b8h n LYS 231 Ca -0.02 -0.10 0.15 0.00 -2.02 0.00 0.00 58.31 56.32 3b8h n LYS 231 Cb 0.58 -1.42 0.66 0.00 -0.02 0.00 0.00 35.03 34.82 3b8h n LYS 231 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3b8h n LYS 232 N -2.32 1.19 0.00 1.97 3.00 0.49 -4.87 118.16 117.63 3b8h n LYS 232 Ca -0.13 -0.49 0.00 0.00 -0.00 0.00 0.00 58.31 57.70 3b8h n LYS 232 Cb 0.70 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.24 3b8h n LYS 232 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3b8h n PHE 233 N -0.48 0.00 -1.83 5.64 3.01 -1.23 -5.05 117.46 117.52 3b8h n PHE 233 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 3b8h n PHE 233 Cb 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3b8h n PHE 233 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b8h n GLY 234 N 0.00 -0.05 3.79 1.37 0.00 -1.26 -4.85 105.19 104.18 3b8h n GLY 234 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3b8h n GLY 234 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3b8h s VAL 235 N 0.00 4.39 0.11 1.61 -7.23 -1.26 -5.00 120.40 113.03 3b8h s VAL 235 Ca 0.00 1.62 -0.31 0.00 -1.81 0.00 0.00 61.98 61.48 3b8h s VAL 235 Cb 0.00 -4.06 -0.11 0.00 0.56 0.00 0.00 36.38 32.78 3b8h s VAL 235 CO 0.00 0.40 1.86 -0.67 -0.31 0.00 0.00 175.10 176.38 3b8h n ASP 236 N 1.26 4.07 0.12 4.85 2.03 -1.26 -4.35 116.55 123.27 3b8h n ASP 236 Ca -0.04 0.98 -0.01 0.00 0.52 0.00 0.00 54.79 56.23 3b8h n ASP 236 Cb 0.49 -1.54 0.10 0.00 -0.72 0.00 0.00 41.12 39.45 3b8h n ASP 236 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3b8h h LYS 237 N 8.77 0.00 -0.44 -0.67 2.10 -1.94 -1.60 116.57 122.79 3b8h h LYS 237 Ca -0.47 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.23 3b8h h LYS 237 Cb 1.22 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.51 3b8h h LYS 237 CO 0.95 0.68 0.20 0.00 -2.00 0.00 0.00 179.45 179.27 3b8h h ALA 238 N 1.32 0.54 0.00 0.07 0.00 -1.93 0.15 119.26 119.41 3b8h h ALA 238 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3b8h h ALA 238 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3b8h h ALA 238 CO 0.09 -0.17 -0.35 1.63 0.00 0.00 0.00 179.25 180.44 3b8h n LYS 239 N -4.95 0.17 -0.04 0.00 5.02 -1.21 -3.56 118.16 113.58 3b8h n LYS 239 Ca 0.03 0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.30 3b8h n LYS 239 Cb 0.13 -1.64 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 3b8h n LYS 239 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 3b8h h MET 240 N 0.00 -0.03 0.00 1.97 4.05 -0.26 -2.73 114.93 117.93 3b8h h MET 240 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3b8h h MET 240 Cb 0.64 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 3b8h h MET 240 CO 0.00 0.60 0.00 0.00 0.23 0.00 0.00 176.91 177.74 3b8h h MET 241 N -0.95 0.00 0.05 0.39 -0.00 -0.89 0.13 114.93 113.66 3b8h h MET 241 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.46 3b8h h MET 241 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.24 3b8h h MET 241 CO 0.01 0.00 -1.12 0.22 -0.00 0.00 0.00 176.91 176.02 3b8h h ASP 242 N 0.00 0.18 1.82 -0.10 1.82 -1.61 -3.25 116.42 115.27 3b8h h ASP 242 Ca 0.00 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 3b8h h ASP 242 Cb 0.09 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 3b8h h ASP 242 CO 0.00 1.15 -0.19 0.03 -1.61 0.00 0.00 179.24 178.63 3b8h h ARG 243 N 0.03 0.00 0.00 0.28 3.08 -0.51 -3.33 114.38 113.94 3b8h h ARG 243 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3b8h h ARG 243 Cb 1.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.91 3b8h h ARG 243 CO 0.16 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.35 3b8h n LEU 244 N -3.03 0.00 -3.99 3.04 4.77 -0.13 -4.48 117.00 113.17 3b8h n LEU 244 Ca 0.03 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 3b8h n LEU 244 Cb 0.54 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 3b8h n LEU 244 CO 0.35 -0.01 -0.38 0.86 -1.33 0.00 0.00 177.39 176.89 3b8h s TRP 245 N -2.14 0.39 0.00 -1.77 -0.11 -1.25 -3.74 118.94 110.31 3b8h s TRP 245 Ca 0.39 -0.40 0.00 0.00 1.22 0.00 0.00 56.10 57.30 3b8h s TRP 245 Cb 0.19 -0.25 0.00 0.00 -1.50 0.00 0.00 33.47 31.91 3b8h s TRP 245 CO 0.35 -0.11 0.00 0.41 -4.62 0.00 0.00 176.95 172.98 3b8h n GLY 246 N 1.89 -1.02 3.06 5.86 0.00 -1.26 -4.61 105.19 109.11 3b8h n GLY 246 Ca -0.21 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 3b8h n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3b8h n ASP 247 N 0.30 5.58 -3.92 1.61 8.00 -1.26 -4.72 116.55 122.14 3b8h n ASP 247 Ca 0.00 -3.18 -0.27 0.00 0.71 0.00 0.00 54.79 52.06 3b8h n ASP 247 Cb 0.00 -1.42 -0.17 0.00 -0.02 0.00 0.00 41.12 39.51 3b8h n ASP 247 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3b8h s SER 248 N 0.41 2.19 -0.06 -2.24 0.01 -1.26 -4.62 113.70 108.13 3b8h s SER 248 Ca 0.36 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.37 3b8h s SER 248 Cb 0.04 -0.86 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 3b8h s SER 248 CO 0.03 -0.11 -0.25 -0.36 0.41 0.00 0.00 173.24 172.96 3b8h s PHE 249 N 1.66 2.44 -0.21 2.43 0.08 0.30 -1.87 117.98 122.81 3b8h s PHE 249 Ca 0.04 -0.72 -0.06 0.00 0.12 0.00 0.00 56.93 56.31 3b8h s PHE 249 Cb -0.13 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 3b8h s PHE 249 CO -0.08 -0.21 0.04 0.12 -0.10 0.00 0.00 175.22 174.99 3b8h s PHE 250 N -0.17 3.11 -0.22 0.36 5.36 -1.26 -0.00 117.98 125.15 3b8h s PHE 250 Ca -0.03 -0.28 -0.09 0.00 -0.96 0.00 0.00 56.93 55.57 3b8h s PHE 250 Cb -0.14 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 3b8h s PHE 250 CO 0.04 -0.15 0.10 1.21 -1.46 0.00 0.00 175.22 174.96 3b8h s ASN 251 N 0.99 5.72 0.58 6.13 3.04 -1.01 -4.78 114.94 125.60 3b8h s ASN 251 Ca 0.03 0.03 0.27 0.00 0.04 0.00 0.00 52.86 53.23 3b8h s ASN 251 Cb -0.14 -2.01 1.68 0.00 -1.54 0.00 0.00 41.25 39.24 3b8h s ASN 251 CO 0.02 0.08 2.19 1.55 -3.04 0.00 0.00 177.10 177.91 3b8h h PRO 252 N 7.36 0.00 0.00 0.43 0.13 -1.97 0.90 132.00 138.85 3b8h h PRO 252 Ca -0.37 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.60 3b8h h PRO 252 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3b8h h PRO 252 CO 0.65 0.00 -0.93 0.87 -0.23 0.00 0.00 178.00 178.37 3b8h h LYS 253 N 0.00 0.00 0.00 0.86 1.57 -1.98 -3.37 116.57 113.64 3b8h h LYS 253 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 3b8h h LYS 253 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3b8h h LYS 253 CO -0.00 0.76 -0.63 1.79 -0.57 0.00 0.00 179.45 180.80 3b8h h THR 254 N -1.00 1.18 -5.88 -0.16 1.35 -1.99 -3.47 112.91 102.94 3b8h h THR 254 Ca -0.23 -2.40 -0.38 0.00 -0.55 0.00 0.00 66.41 62.85 3b8h h THR 254 Cb 1.06 2.41 0.11 0.00 -1.73 0.00 0.00 68.15 70.00 3b8h h THR 254 CO -0.14 0.62 -0.78 0.29 -0.25 0.00 0.00 175.52 175.26 3b8h n LYS 255 N -3.40 -6.01 -4.12 4.72 5.02 0.31 -5.01 118.16 109.67 3b8h n LYS 255 Ca 0.01 0.74 -0.10 0.00 -2.02 0.00 0.00 58.31 56.94 3b8h n LYS 255 Cb 0.73 -5.58 -0.10 0.00 -0.02 0.00 0.00 35.03 30.06 3b8h n LYS 255 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3b8h s LYS 256 N -5.77 0.69 0.33 1.97 1.02 -1.24 -4.93 119.74 111.80 3b8h s LYS 256 Ca 0.10 -1.16 -0.23 0.00 0.02 0.00 0.00 55.97 54.70 3b8h s LYS 256 Cb -0.05 -0.08 -0.10 0.00 -0.52 0.00 0.00 37.83 37.09 3b8h s LYS 256 CO 0.77 -0.04 0.90 -1.58 -0.92 0.00 0.00 175.35 174.48 3b8h s TRP 257 N -3.20 3.57 0.01 3.18 0.52 -1.26 -2.42 118.94 119.34 3b8h s TRP 257 Ca 0.05 1.64 -0.05 0.00 0.02 0.00 0.00 56.10 57.76 3b8h s TRP 257 Cb 0.03 -2.83 -0.00 0.00 -1.15 0.00 0.00 33.47 29.51 3b8h s TRP 257 CO -0.05 0.15 0.09 0.99 0.02 0.00 0.00 176.95 178.14 3b8h s THR 258 N -1.76 0.09 -0.25 2.01 2.01 1.00 -4.99 115.64 113.74 3b8h s THR 258 Ca 0.52 -0.75 0.13 0.00 0.31 0.00 0.00 61.69 61.90 3b8h s THR 258 Cb -0.15 -0.38 0.69 0.00 0.01 0.00 0.00 72.50 72.67 3b8h s THR 258 CO 0.20 -0.41 1.66 0.59 -0.69 0.00 0.00 174.62 175.97 3b8h n ASN 259 N 1.51 4.69 -4.17 3.53 3.02 -1.26 -0.54 115.26 122.04 3b8h n ASN 259 Ca -0.23 -3.12 -0.26 0.00 -0.03 0.00 0.00 54.58 50.94 3b8h n ASN 259 Cb 0.55 -0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 38.90 3b8h n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3b8h s LYS 260 N -2.90 1.69 0.00 3.52 1.02 -1.26 -4.93 119.74 116.88 3b8h s LYS 260 Ca 0.51 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.85 3b8h s LYS 260 Cb 0.40 -1.54 0.07 0.00 -0.52 0.00 0.00 37.83 36.24 3b8h s LYS 260 CO 0.12 0.33 0.86 -0.40 -0.92 0.00 0.00 175.35 175.34 3b8h n ASP 261 N 2.87 0.00 -3.73 2.83 5.75 -1.26 -4.72 116.55 118.28 3b8h n ASP 261 Ca -0.16 -1.59 -0.13 0.00 -0.01 0.00 0.00 54.79 52.89 3b8h n ASP 261 Cb 0.53 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.53 3b8h n ASP 261 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3b8h s THR 262 N -2.00 0.02 1.09 2.12 -4.23 -1.26 -0.57 115.64 110.80 3b8h s THR 262 Ca 0.02 -0.17 -0.16 0.00 -1.18 0.00 0.00 61.69 60.19 3b8h s THR 262 Cb 0.01 -0.60 0.23 0.00 1.34 0.00 0.00 72.50 73.48 3b8h s THR 262 CO 0.01 -0.09 1.14 1.51 -0.54 0.00 0.00 174.62 176.65 3b8h s ASP 263 N -0.43 1.93 0.57 3.99 1.47 -0.96 -4.79 116.67 118.45 3b8h s ASP 263 Ca -0.06 0.74 0.27 0.00 1.18 0.00 0.00 52.55 54.68 3b8h s ASP 263 Cb -0.03 -1.09 1.54 0.00 -0.34 0.00 0.00 42.92 42.99 3b8h s ASP 263 CO 0.02 -3.51 2.06 0.00 0.68 0.00 0.00 175.17 174.42 3b8h h ALA 264 N -2.16 2.04 0.00 2.11 0.00 -2.00 0.27 119.26 119.52 3b8h h ALA 264 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3b8h h ALA 264 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3b8h h ALA 264 CO 0.44 -0.41 0.00 1.49 0.00 0.00 0.00 179.25 180.77 3b8h h GLU 265 N 0.00 0.00 0.00 0.00 4.81 -2.05 -3.47 114.58 113.87 3b8h h GLU 265 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3b8h h GLU 265 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3b8h h GLU 265 CO -0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 3b8h n GLY 266 N 0.83 0.84 3.76 1.92 0.00 0.94 -5.08 105.19 108.41 3b8h n GLY 266 Ca 0.03 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3b8h n GLY 266 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3b8h s LYS 267 N -0.54 4.18 0.46 1.61 2.20 -1.26 -4.81 119.74 121.58 3b8h s LYS 267 Ca 0.00 0.37 -0.21 0.00 -0.36 0.00 0.00 55.97 55.77 3b8h s LYS 267 Cb 0.00 -3.36 -0.11 0.00 -1.51 0.00 0.00 37.83 32.85 3b8h s LYS 267 CO 0.00 0.36 0.63 -2.30 -0.36 0.00 0.00 175.35 173.67 3b8h n PRO 268 N 3.01 0.69 -5.15 4.03 -0.02 -1.26 -2.26 135.00 134.04 3b8h n PRO 268 Ca -0.10 0.26 -0.29 0.00 -2.02 0.00 0.00 63.50 61.34 3b8h n PRO 268 Cb 0.52 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 32.18 3b8h n PRO 268 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b8h s LEU 269 N 1.04 2.04 0.38 2.45 1.43 0.26 -4.81 118.68 121.46 3b8h s LEU 269 Ca 0.65 -0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.08 3b8h s LEU 269 Cb -0.55 -1.20 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 3b8h s LEU 269 CO 0.57 0.28 1.03 -0.70 0.23 0.00 0.00 176.35 177.75 3b8h s GLU 270 N -0.49 4.28 0.33 1.70 2.12 -1.26 -4.87 118.70 120.51 3b8h s GLU 270 Ca 0.07 1.48 -0.27 0.00 0.36 0.00 0.00 54.97 56.61 3b8h s GLU 270 Cb -0.09 -2.62 -0.09 0.00 0.26 0.00 0.00 34.13 31.59 3b8h s GLU 270 CO -0.00 -0.03 1.08 0.50 -0.54 0.00 0.00 175.26 176.27 3b8h s ARG 271 N -2.37 4.44 0.32 4.30 3.52 -1.26 -4.28 118.95 123.62 3b8h s ARG 271 Ca 0.56 1.70 0.04 0.00 -0.13 0.00 0.00 55.73 57.90 3b8h s ARG 271 Cb -0.21 -2.93 0.65 0.00 -1.56 0.00 0.00 34.95 30.89 3b8h s ARG 271 CO 0.27 0.06 1.89 0.00 -0.81 0.00 0.00 175.30 176.71 3b8h h ALA 272 N 3.28 1.64 -0.28 6.12 0.00 -1.63 0.16 119.26 128.55 3b8h h ALA 272 Ca -0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3b8h h ALA 272 Cb 1.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3b8h h ALA 272 CO 0.65 0.18 0.13 0.35 0.00 0.00 0.00 179.25 180.56 3b8h h PHE 273 N 0.88 0.40 -0.23 0.00 3.57 -1.81 0.69 116.94 120.44 3b8h h PHE 273 Ca 0.42 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.83 3b8h h PHE 273 Cb 0.42 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3b8h h PHE 273 CO -0.00 0.37 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.39 3b8h h ASN 274 N 0.31 0.37 0.07 0.41 4.21 -1.57 0.06 115.58 119.44 3b8h h ASN 274 Ca 0.10 -0.09 -0.17 0.00 1.21 0.00 0.00 56.30 57.34 3b8h h ASN 274 Cb 0.12 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 3b8h h ASN 274 CO -0.01 0.54 -0.85 -0.03 -1.29 0.00 0.00 177.43 175.79 3b8h h MET 275 N 0.36 0.14 0.00 0.81 4.05 -0.35 -0.39 114.93 119.55 3b8h h MET 275 Ca 0.07 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 3b8h h MET 275 Cb 0.47 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 3b8h h MET 275 CO 0.03 1.12 -1.34 1.19 0.23 0.00 0.00 176.91 178.14 3b8h n PHE 276 N -4.25 0.00 0.02 1.39 3.72 0.20 -4.29 117.46 114.25 3b8h n PHE 276 Ca -0.19 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.20 3b8h n PHE 276 Cb 0.73 -0.18 -0.00 0.00 -0.94 0.00 0.00 39.48 39.09 3b8h n PHE 276 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3b8h n ILE 277 N -1.76 0.84 0.22 4.37 5.41 -0.83 -4.70 119.36 122.91 3b8h n ILE 277 Ca 0.01 0.27 0.07 0.00 1.00 0.00 0.00 62.75 64.10 3b8h n ILE 277 Cb 0.41 -1.50 0.50 0.00 -0.71 0.00 0.00 39.64 38.34 3b8h n ILE 277 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3b8h h LEU 278 N -0.11 0.00 0.22 1.39 3.38 -1.08 -3.23 115.31 115.88 3b8h h LEU 278 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3b8h h LEU 278 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3b8h h LEU 278 CO 0.00 0.26 -0.10 -0.78 0.09 0.00 0.00 178.44 177.90 3b8h h ASP 279 N 0.00 -0.25 -0.95 -0.43 1.82 -1.25 -0.57 116.42 114.79 3b8h h ASP 279 Ca -0.00 -0.28 0.11 0.00 -0.39 0.00 0.00 57.03 56.47 3b8h h ASP 279 Cb 0.54 0.06 -0.08 0.00 0.68 0.00 0.00 39.33 40.54 3b8h h ASP 279 CO 0.03 0.21 0.58 -0.65 -1.61 0.00 0.00 179.24 177.81 3b8h h PRO 280 N -0.78 0.90 -0.17 0.28 0.11 -1.79 -0.12 132.00 130.43 3b8h h PRO 280 Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3b8h h PRO 280 Cb 0.51 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3b8h h PRO 280 CO 0.05 0.59 0.07 0.82 -0.21 0.00 0.00 178.00 179.32 3b8h h ILE 281 N 0.93 1.16 -0.09 4.15 2.04 -1.57 -2.42 117.51 121.70 3b8h h ILE 281 Ca 0.47 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3b8h h ILE 281 Cb 0.46 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3b8h h ILE 281 CO -0.26 0.15 0.08 -0.26 0.00 0.00 0.00 178.15 177.86 3b8h h PHE 282 N 0.12 0.00 0.81 1.37 0.04 -0.26 -2.01 116.94 117.00 3b8h h PHE 282 Ca 0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 3b8h h PHE 282 Cb 0.18 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.33 3b8h h PHE 282 CO -0.01 0.00 -0.39 0.00 -0.60 0.00 0.00 178.31 177.31 3b8h h ARG 283 N 0.00 -1.05 -0.51 1.51 2.47 -0.55 -1.02 114.38 115.23 3b8h h ARG 283 Ca 0.04 0.07 0.08 0.00 -1.26 0.00 0.00 59.98 58.92 3b8h h ARG 283 Cb 0.20 0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 3b8h h ARG 283 CO -0.00 -0.70 0.34 -0.07 0.56 0.00 0.00 179.97 180.10 3b8h h LEU 284 N -1.29 0.32 -0.72 3.04 3.38 -1.30 0.18 115.31 118.92 3b8h h LEU 284 Ca -0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3b8h h LEU 284 Cb 0.83 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3b8h h LEU 284 CO 0.18 0.20 -0.41 -0.26 0.09 0.00 0.00 178.44 178.24 3b8h h PHE 285 N 0.36 0.00 0.00 1.13 0.04 -1.28 -1.63 116.94 115.56 3b8h h PHE 285 Ca 0.23 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.71 3b8h h PHE 285 Cb 0.45 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.54 3b8h h PHE 285 CO -0.00 0.41 -1.78 2.41 -0.60 0.00 0.00 178.31 178.75 3b8h n THR 286 N -3.45 1.53 -0.00 -1.55 -1.04 -0.37 -3.74 114.28 105.66 3b8h n THR 286 Ca 0.00 -0.79 -0.01 0.00 -2.04 0.00 0.00 64.05 61.21 3b8h n THR 286 Cb 0.56 -0.92 -0.00 0.00 -1.82 0.00 0.00 70.33 68.15 3b8h n THR 286 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b8h h ALA 287 N 1.04 -0.09 -0.27 2.41 0.00 -0.71 -3.28 119.26 118.36 3b8h h ALA 287 Ca -0.31 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3b8h h ALA 287 Cb 2.01 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 3b8h h ALA 287 CO 0.07 -0.08 -0.13 0.82 0.00 0.00 0.00 179.25 179.93 3b8h h ILE 288 N -0.67 0.60 0.00 0.00 2.04 -1.52 -2.11 117.51 115.85 3b8h h ILE 288 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3b8h h ILE 288 Cb 0.05 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3b8h h ILE 288 CO 0.01 0.00 0.00 0.23 0.00 0.00 0.00 178.15 178.39 3b8h n MET 289 N -5.30 0.29 -0.17 2.37 2.81 -1.25 -1.88 117.12 114.01 3b8h n MET 289 Ca -0.00 0.10 0.05 0.00 -1.81 0.00 0.00 57.70 56.04 3b8h n MET 289 Cb 0.21 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.36 3b8h n MET 289 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3b8h n ASN 290 N -1.24 2.85 -3.91 7.83 4.13 -0.81 -5.00 115.26 119.11 3b8h n ASN 290 Ca 0.09 -2.08 -0.26 0.00 1.68 0.00 0.00 54.58 54.00 3b8h n ASN 290 Cb 0.13 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 3b8h n ASN 290 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3b8h n PHE 291 N 0.28 -1.84 -3.11 3.10 3.72 -0.79 -4.89 117.46 113.94 3b8h n PHE 291 Ca 0.11 0.81 -0.44 0.00 -0.05 0.00 0.00 57.45 57.87 3b8h n PHE 291 Cb 0.44 -3.88 0.01 0.00 -0.94 0.00 0.00 39.48 35.11 3b8h n PHE 291 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3b8h n LYS 292 N -4.41 4.04 0.06 -1.08 5.02 -1.17 -4.88 118.16 115.75 3b8h n LYS 292 Ca -0.20 -4.45 0.04 0.00 -2.02 0.00 0.00 58.31 51.67 3b8h n LYS 292 Cb 0.63 -2.56 0.20 0.00 -0.02 0.00 0.00 35.03 33.28 3b8h n LYS 292 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3b8h n LYS 293 N 2.10 0.05 0.07 1.97 2.85 -1.26 -1.00 118.16 122.94 3b8h n LYS 293 Ca 0.26 0.50 0.04 0.00 -1.05 0.00 0.00 58.31 58.06 3b8h n LYS 293 Cb 0.36 -1.74 -0.04 0.00 -0.65 0.00 0.00 35.03 32.96 3b8h n LYS 293 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3b8h h ASP 294 N 0.00 0.00 0.11 -5.58 3.32 -1.99 -3.38 116.42 108.91 3b8h h ASP 294 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 3b8h h ASP 294 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3b8h h ASP 294 CO 0.00 0.39 -1.75 -0.33 -1.72 0.00 0.00 179.24 175.83 3b8h h GLU 295 N 0.00 0.24 -0.48 3.56 5.08 -1.48 -3.40 114.58 118.09 3b8h h GLU 295 Ca -0.09 -0.41 0.09 0.00 -1.00 0.00 0.00 59.36 57.95 3b8h h GLU 295 Cb 1.38 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.68 3b8h h GLU 295 CO 0.03 1.19 -0.28 0.82 -1.00 0.00 0.00 179.01 179.78 3b8h h ILE 296 N -0.16 0.27 -0.47 3.13 2.04 -1.69 0.12 117.51 120.75 3b8h h ILE 296 Ca -0.38 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3b8h h ILE 296 Cb 1.88 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3b8h h ILE 296 CO 0.05 0.00 0.31 1.55 0.00 0.00 0.00 178.15 180.06 3b8h h PRO 297 N -0.17 0.58 0.02 2.37 0.13 -1.79 0.12 132.00 133.27 3b8h h PRO 297 Ca 0.21 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 65.10 3b8h h PRO 297 Cb 0.51 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 3b8h h PRO 297 CO -0.58 0.39 -0.96 0.28 -0.23 0.00 0.00 178.00 176.90 3b8h h VAL 298 N 0.60 1.59 0.09 1.56 2.07 -1.43 -3.07 116.25 117.65 3b8h h VAL 298 Ca 0.18 -2.98 -0.29 0.00 0.82 0.00 0.00 66.70 64.43 3b8h h VAL 298 Cb -0.01 2.67 0.03 0.00 -1.52 0.00 0.00 31.29 32.45 3b8h h VAL 298 CO -0.04 0.86 -1.19 0.25 0.02 0.00 0.00 177.57 177.47 3b8h h LEU 299 N 0.04 0.86 0.62 2.57 5.85 0.05 -2.78 115.31 122.52 3b8h h LEU 299 Ca -0.04 -0.76 -0.03 0.00 0.84 0.00 0.00 57.88 57.89 3b8h h LEU 299 Cb 1.64 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.41 3b8h h LEU 299 CO 0.14 1.57 -0.30 -0.07 -0.34 0.00 0.00 178.44 179.44 3b8h h LEU 300 N 0.30 -0.71 -1.73 2.25 4.07 -1.11 -2.61 115.31 115.76 3b8h h LEU 300 Ca -0.17 -0.02 0.27 0.00 0.08 0.00 0.00 57.88 58.03 3b8h h LEU 300 Cb 1.85 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 43.72 3b8h h LEU 300 CO 0.23 -0.36 0.68 -0.08 -1.08 0.00 0.00 178.44 177.82 3b8h h GLU 301 N -1.07 0.18 -0.44 1.13 4.81 -1.66 0.12 114.58 117.66 3b8h h GLU 301 Ca -0.09 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3b8h h GLU 301 Cb 0.69 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3b8h h GLU 301 CO 0.14 0.12 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.21 3b8h h LYS 302 N 0.19 0.79 -0.62 1.92 3.64 -1.26 -2.63 116.57 118.59 3b8h h LYS 302 Ca 0.50 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3b8h h LYS 302 Cb 1.65 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 3b8h h LYS 302 CO -0.12 0.87 0.00 1.28 -2.27 0.00 0.00 179.45 179.21 3b8h n LEU 303 N -4.16 3.79 -3.26 5.20 4.77 0.36 -4.96 117.00 118.74 3b8h n LEU 303 Ca 0.01 -1.91 -0.08 0.00 -0.03 0.00 0.00 56.01 54.01 3b8h n LEU 303 Cb 0.37 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3b8h n LEU 303 CO 0.43 0.68 0.18 1.21 -1.33 0.00 0.00 177.39 178.56 3b8h n GLU 304 N 0.90 -1.41 -3.72 3.23 2.13 -0.77 -5.02 120.64 115.98 3b8h n GLU 304 Ca 0.20 1.25 -0.28 0.00 0.66 0.00 0.00 57.16 59.00 3b8h n GLU 304 Cb 0.70 -4.93 -0.16 0.00 0.27 0.00 0.00 31.44 27.32 3b8h n GLU 304 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3b8h s ILE 305 N -3.04 0.54 -0.41 6.31 1.01 -0.99 -5.01 121.20 119.60 3b8h s ILE 305 Ca 0.05 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 3b8h s ILE 305 Cb -0.01 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.34 3b8h s ILE 305 CO 0.79 -0.34 0.30 0.68 0.00 0.00 0.00 174.94 176.37 3b8h s VAL 306 N 1.83 5.18 0.65 2.92 -7.23 -1.26 -4.34 120.40 118.15 3b8h s VAL 306 Ca 0.02 -0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 59.32 3b8h s VAL 306 Cb -0.17 -3.90 -0.01 0.00 0.56 0.00 0.00 36.38 32.86 3b8h s VAL 306 CO -0.13 -0.32 1.11 -0.76 -0.31 0.00 0.00 175.10 174.68 3b8h s LEU 307 N 1.66 3.41 -1.04 1.32 1.43 -1.26 -4.98 118.68 119.22 3b8h s LEU 307 Ca 0.05 1.99 -0.06 0.00 -1.03 0.00 0.00 54.13 55.08 3b8h s LEU 307 Cb -0.19 -4.55 0.27 0.00 0.03 0.00 0.00 46.19 41.74 3b8h s LEU 307 CO 0.09 -1.58 1.06 0.29 0.23 0.00 0.00 176.35 176.45 3b8h n LYS 308 N -2.34 3.37 0.00 1.70 4.76 -1.26 -4.96 118.16 119.43 3b8h n LYS 308 Ca 0.10 -4.48 0.00 0.00 -2.87 0.00 0.00 58.31 51.06 3b8h n LYS 308 Cb 0.52 -2.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.21 3b8h n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b8h n GLY 309 N 2.37 0.31 0.29 0.72 0.00 -1.26 -2.84 105.19 104.78 3b8h n GLY 309 Ca 0.24 0.47 0.09 0.00 0.00 0.00 0.00 46.02 46.82 3b8h n GLY 309 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3b8h h ASP 310 N 0.00 0.25 0.05 1.61 -0.00 -2.04 -0.38 116.42 115.91 3b8h h ASP 310 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 3b8h h ASP 310 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 39.33 39.46 3b8h h ASP 310 CO 0.00 0.04 0.00 -0.33 -0.00 0.00 0.00 179.24 178.95 3b8h h GLU 311 N 0.40 0.00 0.00 0.28 5.08 -1.91 -3.00 114.58 115.43 3b8h h GLU 311 Ca 0.48 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.78 3b8h h GLU 311 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3b8h h GLU 311 CO -0.48 0.00 -0.27 1.57 -1.00 0.00 0.00 179.01 178.83 3b8h h LYS 312 N 0.00 0.00 -0.12 2.33 5.09 -1.32 -2.90 116.57 119.64 3b8h h LYS 312 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3b8h h LYS 312 Cb 0.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.35 3b8h h LYS 312 CO 0.00 0.27 0.00 -0.40 -2.09 0.00 0.00 179.45 177.23 3b8h n ASP 313 N -3.71 0.89 -4.80 7.07 5.68 -1.13 -4.88 116.55 115.67 3b8h n ASP 313 Ca -0.01 -1.75 -0.35 0.00 -0.50 0.00 0.00 54.79 52.18 3b8h n ASP 313 Cb 0.38 -0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 40.21 3b8h n ASP 313 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3b8h s LEU 314 N -1.33 4.12 -0.16 -2.12 1.43 -1.10 -5.07 118.68 114.44 3b8h s LEU 314 Ca 0.23 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.93 3b8h s LEU 314 Cb 0.11 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 42.11 3b8h s LEU 314 CO 0.17 -0.22 0.42 -1.83 0.23 0.00 0.00 176.35 175.12 3b8h s GLU 315 N -2.66 0.44 0.09 1.70 -1.05 -1.26 -4.64 118.70 111.33 3b8h s GLU 315 Ca 0.56 0.68 0.00 0.00 -0.15 0.00 0.00 54.97 56.06 3b8h s GLU 315 Cb -0.13 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 3b8h s GLU 315 CO 0.18 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.69 3b8h n GLY 316 N 3.54 0.18 0.27 -3.83 0.00 -1.26 -4.28 105.19 99.81 3b8h n GLY 316 Ca -0.18 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.11 3b8h n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8h h LYS 317 N 0.00 0.33 0.00 1.61 6.56 -1.98 0.10 116.57 123.19 3b8h h LYS 317 Ca 0.00 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 3b8h h LYS 317 Cb 0.00 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.60 3b8h h LYS 317 CO 0.00 0.32 -0.09 0.00 -2.06 0.00 0.00 179.45 177.62 3b8h h ALA 318 N 1.73 1.68 0.00 3.86 0.00 -1.97 -1.92 119.26 122.64 3b8h h ALA 318 Ca 0.08 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3b8h h ALA 318 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3b8h h ALA 318 CO -0.00 0.11 -1.23 1.25 0.00 0.00 0.00 179.25 179.37 3b8h h LEU 319 N 0.00 0.00 -1.34 0.00 5.85 -1.38 -3.36 115.31 115.08 3b8h h LEU 319 Ca -0.00 -0.50 0.13 0.00 0.84 0.00 0.00 57.88 58.34 3b8h h LEU 319 Cb 0.17 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3b8h h LEU 319 CO 0.01 1.47 0.55 0.25 -0.34 0.00 0.00 178.44 180.38 3b8h h LEU 320 N -1.00 0.63 -0.25 2.25 5.85 -0.80 -2.31 115.31 119.69 3b8h h LEU 320 Ca -0.34 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 3b8h h LEU 320 Cb 1.29 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3b8h h LEU 320 CO -0.21 0.34 0.01 0.50 -0.34 0.00 0.00 178.44 178.74 3b8h h LYS 321 N 0.67 0.44 -0.36 1.25 3.64 -1.54 -2.41 116.57 118.26 3b8h h LYS 321 Ca 0.41 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 3b8h h LYS 321 Cb 0.65 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3b8h h LYS 321 CO -0.18 0.60 -0.28 0.28 -2.27 0.00 0.00 179.45 177.61 3b8h h VAL 322 N 0.22 1.28 -0.30 2.00 2.07 -1.58 -2.94 116.25 116.99 3b8h h VAL 322 Ca 0.07 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 3b8h h VAL 322 Cb 0.40 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3b8h h VAL 322 CO 0.01 0.47 -0.11 0.58 0.02 0.00 0.00 177.57 178.54 3b8h h VAL 323 N 0.64 1.29 0.00 2.57 2.07 -1.44 -3.13 116.25 118.25 3b8h h VAL 323 Ca 0.08 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 3b8h h VAL 323 Cb 0.80 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3b8h h VAL 323 CO 0.07 0.38 -0.20 0.24 0.02 0.00 0.00 177.57 178.07 3b8h h MET 324 N 0.36 0.00 0.02 1.57 2.86 -1.40 -0.91 114.93 117.44 3b8h h MET 324 Ca 0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3b8h h MET 324 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3b8h h MET 324 CO 0.04 0.20 -0.01 0.00 1.06 0.00 0.00 176.91 178.20 3b8h h ARG 325 N 0.00 -0.03 0.00 1.72 3.08 -1.47 -0.77 114.38 116.91 3b8h h ARG 325 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3b8h h ARG 325 Cb 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3b8h h ARG 325 CO 0.03 0.56 -0.30 0.87 -1.07 0.00 0.00 179.97 180.05 3b8h h LYS 326 N -0.64 0.00 0.32 0.04 1.79 -1.49 -1.58 116.57 115.02 3b8h h LYS 326 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3b8h h LYS 326 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 3b8h h LYS 326 CO 0.00 0.30 -0.15 0.35 -1.08 0.00 0.00 179.45 178.87 3b8h h PHE 327 N 0.00 -0.40 -2.64 -1.35 3.57 -1.16 -3.42 116.94 111.54 3b8h h PHE 327 Ca -0.00 -0.01 -0.60 0.00 3.53 0.00 0.00 57.97 60.89 3b8h h PHE 327 Cb 0.65 0.13 -0.40 0.00 2.79 0.00 0.00 35.95 39.12 3b8h h PHE 327 CO 0.00 -0.17 -0.82 -0.51 -2.23 0.00 0.00 178.31 174.58 3b8h s LEU 328 N -9.06 2.71 -0.32 0.59 1.43 -0.30 -5.08 118.68 108.65 3b8h s LEU 328 Ca -0.09 -3.37 -0.35 0.00 -1.03 0.00 0.00 54.13 49.30 3b8h s LEU 328 Cb 0.01 -0.89 -0.11 0.00 0.03 0.00 0.00 46.19 45.22 3b8h s LEU 328 CO 0.28 -0.14 2.15 -2.65 0.23 0.00 0.00 176.35 176.22 3b8h n PRO 329 N 2.51 1.22 -0.20 1.29 -0.02 -0.60 -1.85 135.00 137.36 3b8h n PRO 329 Ca 0.26 0.35 0.01 0.00 -2.02 0.00 0.00 63.50 62.10 3b8h n PRO 329 Cb 0.43 -2.51 0.11 0.00 -0.02 0.00 0.00 33.50 31.51 3b8h n PRO 329 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b8h h ALA 330 N 12.08 0.70 0.00 3.55 0.00 -1.57 -0.70 119.26 133.33 3b8h h ALA 330 Ca -0.31 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3b8h h ALA 330 Cb 1.31 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3b8h h ALA 330 CO 1.01 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.93 3b8h h ALA 331 N 1.50 1.00 0.00 0.00 0.00 -1.87 -1.72 119.26 118.17 3b8h h ALA 331 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 3b8h h ALA 331 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3b8h h ALA 331 CO -0.43 0.00 -1.08 -0.44 0.00 0.00 0.00 179.25 177.31 3b8h h ASP 332 N 0.00 0.00 0.51 0.00 3.45 -1.48 -2.45 116.42 116.45 3b8h h ASP 332 Ca 0.00 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.26 3b8h h ASP 332 Cb 0.16 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3b8h h ASP 332 CO 0.00 0.82 -0.87 0.00 -1.57 0.00 0.00 179.24 177.62 3b8h h ALA 333 N 1.18 0.51 0.07 3.45 0.00 -1.31 -2.84 119.26 120.32 3b8h h ALA 333 Ca -0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 3b8h h ALA 333 Cb 1.70 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3b8h h ALA 333 CO 0.09 0.88 -0.04 -0.07 0.00 0.00 0.00 179.25 180.11 3b8h h LEU 334 N 0.14 -0.08 -1.42 0.00 3.38 -1.58 -3.11 115.31 112.64 3b8h h LEU 334 Ca -0.05 -0.53 0.14 0.00 0.09 0.00 0.00 57.88 57.53 3b8h h LEU 334 Cb 1.49 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.20 3b8h h LEU 334 CO 0.14 0.59 0.54 -0.07 0.09 0.00 0.00 178.44 179.72 3b8h h LEU 335 N -0.86 0.54 -0.17 1.67 3.38 -1.57 -1.40 115.31 116.90 3b8h h LEU 335 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3b8h h LEU 335 Cb 0.61 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3b8h h LEU 335 CO 0.02 0.28 0.01 -0.08 0.09 0.00 0.00 178.44 178.75 3b8h h GLU 336 N 0.57 0.06 -0.37 1.13 4.81 -1.54 -1.38 114.58 117.87 3b8h h GLU 336 Ca 0.40 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 3b8h h GLU 336 Cb 0.74 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3b8h h GLU 336 CO -0.16 0.04 0.01 0.52 -0.73 0.00 0.00 179.01 178.69 3b8h h MET 337 N 0.06 0.65 -0.31 1.92 2.86 -1.22 -1.52 114.93 117.38 3b8h h MET 337 Ca 0.08 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3b8h h MET 337 Cb 0.09 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3b8h h MET 337 CO -0.13 0.75 0.10 0.82 1.06 0.00 0.00 176.91 179.52 3b8h h ILE 338 N 0.48 0.91 -0.06 -1.22 2.04 -1.11 0.31 117.51 118.86 3b8h h ILE 338 Ca 0.11 -0.08 -0.17 0.00 1.00 0.00 0.00 64.86 65.72 3b8h h ILE 338 Cb 0.45 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3b8h h ILE 338 CO 0.02 0.04 -0.69 0.58 0.00 0.00 0.00 178.15 178.10 3b8h h VAL 339 N 0.24 1.41 0.09 1.67 2.07 -1.23 -3.02 116.25 117.47 3b8h h VAL 339 Ca 0.14 -2.14 -0.31 0.00 0.82 0.00 0.00 66.70 65.20 3b8h h VAL 339 Cb 0.11 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3b8h h VAL 339 CO -0.15 0.63 -1.67 -0.07 0.02 0.00 0.00 177.57 176.34 3b8h h LEU 340 N 0.19 0.31 0.00 2.57 3.38 -1.02 -3.43 115.31 117.30 3b8h h LEU 340 Ca -0.02 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3b8h h LEU 340 Cb 1.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3b8h h LEU 340 CO 0.11 1.44 -0.99 1.41 0.09 0.00 0.00 178.44 180.50 3b8h n HIS 341 N -3.37 0.00 -2.16 1.13 8.25 0.08 -4.59 115.22 114.56 3b8h n HIS 341 Ca -0.20 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.85 3b8h n HIS 341 Cb 1.04 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.13 3b8h n HIS 341 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b8h s LEU 342 N -4.12 4.41 0.52 2.41 1.43 -1.14 -4.98 118.68 117.21 3b8h s LEU 342 Ca 0.00 2.47 -0.21 0.00 -1.03 0.00 0.00 54.13 55.36 3b8h s LEU 342 Cb 0.00 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 3b8h s LEU 342 CO 0.00 -0.58 1.18 -2.16 0.23 0.00 0.00 176.35 175.01 3b8h s PRO 343 N -0.10 3.41 0.65 1.29 0.04 -1.26 -4.84 135.00 134.19 3b8h s PRO 343 Ca 0.58 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 63.32 3b8h s PRO 343 Cb -0.38 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.04 3b8h s PRO 343 CO 0.39 -0.84 0.95 -1.54 0.04 0.00 0.00 177.00 176.00 3b8h s SER 344 N -1.52 5.18 0.49 6.66 1.04 -1.26 -4.48 113.70 119.81 3b8h s SER 344 Ca 0.70 0.54 0.17 0.00 0.48 0.00 0.00 55.95 57.84 3b8h s SER 344 Cb -0.28 -1.36 1.19 0.00 0.10 0.00 0.00 66.02 65.67 3b8h s SER 344 CO 0.33 -1.34 2.06 -0.65 0.98 0.00 0.00 173.24 174.61 3b8h h PRO 345 N -0.38 0.17 -0.55 4.02 0.11 -1.75 -0.40 132.00 133.22 3b8h h PRO 345 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3b8h h PRO 345 Cb 1.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3b8h h PRO 345 CO 0.60 0.11 0.08 0.28 -0.21 0.00 0.00 178.00 178.86 3b8h h VAL 346 N 0.17 1.24 0.00 3.15 2.07 -1.93 -2.32 116.25 118.64 3b8h h VAL 346 Ca 0.15 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3b8h h VAL 346 Cb 0.37 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3b8h h VAL 346 CO -0.02 0.34 -0.09 0.74 0.02 0.00 0.00 177.57 178.56 3b8h h THR 347 N 0.83 1.58 -0.28 2.57 2.02 -1.63 -3.36 112.91 114.63 3b8h h THR 347 Ca 0.17 -2.21 -0.04 0.00 0.77 0.00 0.00 66.41 65.09 3b8h h THR 347 Cb 0.39 3.01 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 3b8h h THR 347 CO 0.01 0.53 0.01 0.00 0.37 0.00 0.00 175.52 176.44 3b8h h ALA 348 N -0.12 0.37 -0.00 6.16 0.00 -1.18 -3.04 119.26 121.45 3b8h h ALA 348 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3b8h h ALA 348 Cb 0.93 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3b8h h ALA 348 CO -0.01 0.11 0.01 1.96 0.00 0.00 0.00 179.25 181.31 3b8h h GLN 349 N 0.27 0.00 -0.56 0.00 4.20 -1.62 -0.47 115.11 116.94 3b8h h GLN 349 Ca 0.08 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.81 3b8h h GLN 349 Cb 0.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3b8h h GLN 349 CO 0.01 0.00 0.37 0.00 -0.67 0.00 0.00 178.83 178.55 3b8h h ALA 350 N 1.99 1.66 -0.01 3.87 0.00 -1.59 -1.46 119.26 123.73 3b8h h ALA 350 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3b8h h ALA 350 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3b8h h ALA 350 CO -0.00 0.29 -0.01 2.48 0.00 0.00 0.00 179.25 182.01 3b8h n TYR 351 N -4.46 0.00 0.16 0.00 0.18 -0.59 -4.55 117.16 107.90 3b8h n TYR 351 Ca 0.06 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.92 3b8h n TYR 351 Cb 0.10 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.94 3b8h n TYR 351 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3b8h n ARG 352 N 0.41 0.74 0.20 -3.48 1.74 -0.29 -4.70 116.66 111.29 3b8h n ARG 352 Ca 0.05 -0.12 -0.16 0.00 -0.77 0.00 0.00 57.85 56.84 3b8h n ARG 352 Cb 0.20 -1.38 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 3b8h n ARG 352 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b8h h ALA 353 N 1.72 -0.90 -0.96 7.54 0.00 -1.51 -2.11 119.26 123.05 3b8h h ALA 353 Ca 0.00 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.00 3b8h h ALA 353 Cb 0.69 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 3b8h h ALA 353 CO 0.00 -1.06 0.62 0.93 0.00 0.00 0.00 179.25 179.75 3b8h h GLU 354 N -0.80 0.46 0.00 0.00 5.08 -1.85 0.19 114.58 117.66 3b8h h GLU 354 Ca -0.02 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 3b8h h GLU 354 Cb 0.75 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3b8h h GLU 354 CO -0.14 0.31 -0.80 -0.56 -1.00 0.00 0.00 179.01 176.81 3b8h h GLN 355 N 0.48 0.00 -0.00 2.33 3.07 -1.83 -3.24 115.11 115.92 3b8h h GLN 355 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.26 3b8h h GLN 355 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 3b8h h GLN 355 CO -0.24 0.51 -0.21 1.28 0.09 0.00 0.00 178.83 180.25 3b8h n LEU 356 N -3.16 0.35 -4.33 0.06 4.77 0.50 -4.69 117.00 110.51 3b8h n LEU 356 Ca -0.01 0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 3b8h n LEU 356 Cb 0.79 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 3b8h n LEU 356 CO 0.42 0.08 -0.47 -0.47 -1.33 0.00 0.00 177.39 175.61 3b8h s TYR 357 N -2.83 2.76 -2.52 -1.77 5.04 -0.24 -1.24 117.35 116.55 3b8h s TYR 357 Ca 0.18 -0.76 0.24 0.00 -2.44 0.00 0.00 57.07 54.29 3b8h s TYR 357 Cb 0.19 -1.82 0.72 0.00 0.35 0.00 0.00 41.96 41.40 3b8h s TYR 357 CO 0.57 -0.28 1.55 0.39 -1.34 0.00 0.00 175.55 176.45 3b8h n GLU 358 N 3.57 1.91 -1.86 4.97 1.02 -1.04 -4.87 120.64 124.34 3b8h n GLU 358 Ca -0.18 -1.35 -0.10 0.00 -0.02 0.00 0.00 57.16 55.51 3b8h n GLU 358 Cb 0.53 -1.45 0.04 0.00 -0.02 0.00 0.00 31.44 30.53 3b8h n GLU 358 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b8h n GLY 359 N 1.23 1.60 3.51 0.62 0.00 -1.26 -4.96 105.19 105.94 3b8h n GLY 359 Ca 0.17 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 3b8h n GLY 359 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3b8h n PRO 360 N -1.71 0.57 0.13 1.61 -0.02 -1.26 -4.91 135.00 129.41 3b8h n PRO 360 Ca 0.08 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3b8h n PRO 360 Cb 0.29 -1.87 0.11 0.00 -0.02 0.00 0.00 33.50 32.02 3b8h n PRO 360 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b8h h ALA 361 N 0.16 0.76 -0.29 3.55 0.00 -1.93 -2.97 119.26 118.54 3b8h h ALA 361 Ca -0.46 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3b8h h ALA 361 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3b8h h ALA 361 CO 0.47 0.78 0.00 -0.40 0.00 0.00 0.00 179.25 180.10 3b8h n ASP 362 N -3.49 2.57 -4.60 0.00 5.68 -1.26 -4.44 116.55 111.01 3b8h n ASP 362 Ca 0.00 -1.87 -0.40 0.00 -0.50 0.00 0.00 54.79 52.02 3b8h n ASP 362 Cb 0.69 -0.18 0.02 0.00 -1.14 0.00 0.00 41.12 40.51 3b8h n ASP 362 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3b8h n ASP 363 N 0.92 1.03 0.06 -1.12 2.03 -1.12 -4.77 116.55 113.57 3b8h n ASP 363 Ca 0.18 0.96 0.06 0.00 0.52 0.00 0.00 54.79 56.51 3b8h n ASP 363 Cb 0.47 -1.35 0.49 0.00 -0.72 0.00 0.00 41.12 40.01 3b8h n ASP 363 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3b8h h ALA 364 N 1.22 1.83 0.08 -1.67 0.00 -1.92 -0.76 119.26 118.04 3b8h h ALA 364 Ca -0.46 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 3b8h h ALA 364 Cb 1.35 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.04 3b8h h ALA 364 CO 0.55 0.14 -1.15 -0.91 0.00 0.00 0.00 179.25 177.87 3b8h h ASN 365 N 0.39 0.73 -0.66 0.00 2.35 -1.95 -2.66 115.58 113.78 3b8h h ASN 365 Ca 0.13 -0.66 -0.08 0.00 -0.55 0.00 0.00 56.30 55.14 3b8h h ASN 365 Cb 0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3b8h h ASN 365 CO -0.03 1.47 0.11 0.00 -1.65 0.00 0.00 177.43 177.34 3b8h h ILE 367 N 1.03 1.25 -0.49 0.00 2.04 -1.21 -0.13 117.51 119.99 3b8h h ILE 367 Ca 0.20 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3b8h h ILE 367 Cb 0.43 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3b8h h ILE 367 CO 0.01 0.28 0.09 0.00 0.00 0.00 0.00 178.15 178.53 3b8h h ALA 368 N 1.31 1.24 -0.12 1.87 0.00 -1.06 -0.06 119.26 122.44 3b8h h ALA 368 Ca 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3b8h h ALA 368 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3b8h h ALA 368 CO -0.05 0.52 -0.08 0.82 0.00 0.00 0.00 179.25 180.46 3b8h h ILE 369 N 0.73 1.33 -0.78 0.00 2.04 -0.64 0.91 117.51 121.10 3b8h h ILE 369 Ca 0.16 -1.15 0.10 0.00 1.00 0.00 0.00 64.86 64.97 3b8h h ILE 369 Cb 0.31 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 3b8h h ILE 369 CO 0.00 0.33 0.42 0.11 0.00 0.00 0.00 178.15 179.02 3b8h h LYS 370 N -0.10 0.67 -0.00 2.37 1.57 -0.79 -0.71 116.57 119.59 3b8h h LYS 370 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3b8h h LYS 370 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3b8h h LYS 370 CO 0.02 0.45 -0.08 0.09 -0.57 0.00 0.00 179.45 179.36 3b8h n ASN 371 N -4.81 0.18 -3.98 0.86 3.02 -0.06 -3.60 115.26 106.87 3b8h n ASN 371 Ca 0.13 -0.09 -0.27 0.00 -0.03 0.00 0.00 54.58 54.32 3b8h n ASN 371 Cb 0.30 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 3b8h n ASN 371 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b8h s ASP 373 N -4.11 6.80 0.00 0.00 2.15 0.10 -4.82 116.67 116.79 3b8h s ASP 373 Ca 0.18 0.83 0.23 0.00 0.43 0.00 0.00 52.55 54.22 3b8h s ASP 373 Cb -0.09 -2.49 1.03 0.00 -0.30 0.00 0.00 42.92 41.07 3b8h s ASP 373 CO 0.89 -0.81 1.75 -0.81 -0.17 0.00 0.00 175.17 176.02 3b8h n PRO 374 N 6.68 0.07 -0.01 4.34 -0.04 -1.26 0.84 135.00 145.61 3b8h n PRO 374 Ca 0.09 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 3b8h n PRO 374 Cb 0.48 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 3b8h n PRO 374 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3b8h n LYS 375 N -1.46 0.49 -0.83 0.54 4.76 -1.26 -2.66 118.16 117.74 3b8h n LYS 375 Ca 0.07 -0.14 -0.21 0.00 -2.87 0.00 0.00 58.31 55.16 3b8h n LYS 375 Cb 0.26 -1.51 0.17 0.00 -1.84 0.00 0.00 35.03 32.11 3b8h n LYS 375 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3b8h n ALA 376 N -2.04 -2.14 -1.19 7.82 0.00 -1.22 -4.90 120.51 116.84 3b8h n ALA 376 Ca -0.02 -1.14 -0.33 0.00 0.00 0.00 0.00 53.44 51.95 3b8h n ALA 376 Cb 0.50 -0.08 0.11 0.00 0.00 0.00 0.00 19.45 19.98 3b8h n ALA 376 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3b8h s ASP 377 N -3.69 3.94 0.21 0.00 1.01 -1.26 -3.92 116.67 112.96 3b8h s ASP 377 Ca 0.50 2.25 -0.30 0.00 0.71 0.00 0.00 52.55 55.70 3b8h s ASP 377 Cb -0.04 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 3b8h s ASP 377 CO 0.37 -2.43 1.36 -0.22 0.21 0.00 0.00 175.17 174.47 3b8h s LEU 378 N -5.58 4.40 -0.37 1.23 2.96 -1.26 -3.38 118.68 116.69 3b8h s LEU 378 Ca 0.71 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 57.10 3b8h s LEU 378 Cb -0.26 -3.61 0.12 0.00 0.50 0.00 0.00 46.19 42.94 3b8h s LEU 378 CO 0.49 -0.60 0.18 -0.04 -1.32 0.00 0.00 176.35 175.07 3b8h s MET 379 N -0.08 0.81 -0.13 1.98 -1.94 -0.41 -3.56 119.30 115.97 3b8h s MET 379 Ca 0.58 -1.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 3b8h s MET 379 Cb -0.38 -1.82 0.00 0.00 2.01 0.00 0.00 34.83 34.64 3b8h s MET 379 CO 0.39 -1.12 -0.20 -1.17 -0.01 0.00 0.00 175.02 172.91 3b8h s LEU 380 N 1.06 2.26 -0.25 -0.03 0.20 0.01 0.55 118.68 122.47 3b8h s LEU 380 Ca 0.15 -0.52 -0.07 0.00 0.69 0.00 0.00 54.13 54.38 3b8h s LEU 380 Cb -0.21 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 3b8h s LEU 380 CO -0.09 0.12 0.06 -0.47 -0.29 0.00 0.00 176.35 175.68 3b8h s TYR 381 N 0.57 3.07 -0.30 5.38 5.04 -0.20 -0.06 117.35 130.85 3b8h s TYR 381 Ca -0.12 -0.57 -0.19 0.00 -2.44 0.00 0.00 57.07 53.75 3b8h s TYR 381 Cb -0.16 -2.22 -0.01 0.00 0.35 0.00 0.00 41.96 39.91 3b8h s TYR 381 CO 0.04 -0.41 0.58 0.08 -1.34 0.00 0.00 175.55 174.49 3b8h s VAL 382 N 1.58 4.98 -0.02 3.14 1.01 -0.34 -0.64 120.40 130.12 3b8h s VAL 382 Ca 0.06 0.76 0.07 0.00 0.00 0.00 0.00 61.98 62.86 3b8h s VAL 382 Cb -0.15 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 32.04 3b8h s VAL 382 CO 0.02 -0.11 0.77 0.77 0.00 0.00 0.00 175.10 176.56 3b8h h SER 383 N 8.21 0.11 -5.28 3.32 4.64 -0.89 -2.84 113.55 120.82 3b8h h SER 383 Ca -0.27 -0.19 0.17 0.00 -0.47 0.00 0.00 61.79 61.03 3b8h h SER 383 Cb 1.12 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.09 3b8h h SER 383 CO 0.78 1.17 0.49 -1.59 -0.87 0.00 0.00 176.83 176.80 3b8h s LYS 384 N -2.62 1.17 -0.15 4.77 -2.85 -1.07 -4.65 119.74 114.35 3b8h s LYS 384 Ca -0.06 -0.63 -0.04 0.00 -1.00 0.00 0.00 55.97 54.23 3b8h s LYS 384 Cb 0.08 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.22 3b8h s LYS 384 CO 0.82 -0.53 -0.01 -1.64 0.10 0.00 0.00 175.35 174.09 3b8h s MET 385 N -3.27 3.60 -0.20 1.78 -1.94 -1.20 -1.02 119.30 117.05 3b8h s MET 385 Ca 0.12 -0.46 -0.06 0.00 -1.71 0.00 0.00 55.69 53.57 3b8h s MET 385 Cb -0.01 -2.95 -0.03 0.00 2.01 0.00 0.00 34.83 33.85 3b8h s MET 385 CO 0.01 0.34 0.03 0.08 -0.01 0.00 0.00 175.02 175.48 3b8h s VAL 386 N 0.12 4.31 0.24 -6.03 1.01 0.74 -4.91 120.40 115.87 3b8h s VAL 386 Ca 0.01 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 3b8h s VAL 386 Cb -0.13 -2.95 -0.11 0.00 0.00 0.00 0.00 36.38 33.19 3b8h s VAL 386 CO 0.02 0.43 1.57 -2.84 0.00 0.00 0.00 175.10 174.28 3b8h s PRO 387 N 0.81 4.18 0.31 2.72 0.02 -1.26 -1.16 135.00 140.63 3b8h s PRO 387 Ca 0.02 2.47 0.08 0.00 0.02 0.00 0.00 61.00 63.58 3b8h s PRO 387 Cb -0.14 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.24 3b8h s PRO 387 CO 0.02 -0.59 -0.06 0.95 -0.33 0.00 0.00 177.00 176.98 3b8h s THR 388 N 0.44 1.87 -0.88 0.99 -4.23 -0.99 -2.94 115.64 109.90 3b8h s THR 388 Ca 0.66 -2.14 0.23 0.00 -1.18 0.00 0.00 61.69 59.26 3b8h s THR 388 Cb -0.46 -2.56 0.21 0.00 1.34 0.00 0.00 72.50 71.03 3b8h s THR 388 CO 0.40 -0.24 1.73 -1.54 -0.54 0.00 0.00 174.62 174.44 3b8h n SER 389 N -0.68 0.24 -4.38 3.99 3.41 -0.73 -4.03 113.62 111.43 3b8h n SER 389 Ca -0.05 0.54 -0.33 0.00 -0.26 0.00 0.00 58.87 58.77 3b8h n SER 389 Cb 0.64 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 3b8h n SER 389 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3b8h n ASP 390 N -1.74 3.21 -2.73 4.04 2.03 -1.26 -4.22 116.55 115.89 3b8h n ASP 390 Ca 0.05 -2.72 -0.18 0.00 0.52 0.00 0.00 54.79 52.46 3b8h n ASP 390 Cb 0.29 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.07 3b8h n ASP 390 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3b8h n LYS 391 N 8.01 -2.84 -1.38 -0.67 5.02 -1.26 -0.82 118.16 124.22 3b8h n LYS 391 Ca 0.46 0.70 -0.07 0.00 -2.02 0.00 0.00 58.31 57.39 3b8h n LYS 391 Cb 0.45 -5.38 -0.02 0.00 -0.02 0.00 0.00 35.03 30.06 3b8h n LYS 391 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b8h n GLY 392 N -1.04 0.72 3.82 0.72 0.00 -1.26 -5.02 105.19 103.13 3b8h n GLY 392 Ca -0.13 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 3b8h n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8h s ARG 393 N -2.92 4.21 -0.16 1.61 1.81 0.00 -4.90 118.95 118.61 3b8h s ARG 393 Ca 0.00 0.82 -0.05 0.00 -1.72 0.00 0.00 55.73 54.78 3b8h s ARG 393 Cb 0.00 -2.85 -0.04 0.00 -0.45 0.00 0.00 34.95 31.61 3b8h s ARG 393 CO 0.00 0.38 0.03 -0.06 -0.68 0.00 0.00 175.30 174.97 3b8h s PHE 394 N -1.55 3.18 0.04 -0.53 0.08 -1.26 -2.35 117.98 115.58 3b8h s PHE 394 Ca 0.43 -0.00 -0.16 0.00 0.12 0.00 0.00 56.93 57.32 3b8h s PHE 394 Cb -0.16 -1.99 -0.06 0.00 -0.57 0.00 0.00 43.02 40.24 3b8h s PHE 394 CO 0.21 0.17 0.46 0.71 -0.10 0.00 0.00 175.22 176.67 3b8h s TYR 395 N 0.12 3.73 -0.01 0.36 1.51 -0.30 -4.09 117.35 118.67 3b8h s TYR 395 Ca 0.03 1.07 -0.30 0.00 -1.01 0.00 0.00 57.07 56.85 3b8h s TYR 395 Cb -0.13 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 3b8h s TYR 395 CO 0.01 0.61 0.99 0.00 -1.11 0.00 0.00 175.55 176.05 3b8h s ALA 396 N -1.14 3.20 -0.08 3.71 0.00 0.11 -0.18 121.76 127.38 3b8h s ALA 396 Ca 0.27 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.78 3b8h s ALA 396 Cb -0.17 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3b8h s ALA 396 CO 0.16 -0.28 -0.15 0.12 0.00 0.00 0.00 175.76 175.61 3b8h s PHE 397 N 1.14 2.72 0.00 0.00 5.36 -0.19 0.48 117.98 127.48 3b8h s PHE 397 Ca 0.52 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 3b8h s PHE 397 Cb -0.21 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 3b8h s PHE 397 CO 0.27 0.02 0.00 0.41 -1.46 0.00 0.00 175.22 174.46 3b8h n GLY 398 N 2.78 1.20 2.84 13.12 0.00 -0.98 -0.25 105.19 123.90 3b8h n GLY 398 Ca -0.18 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 3b8h n GLY 398 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b8h s ARG 399 N 1.54 0.02 -0.32 1.61 3.52 0.19 -2.09 118.95 123.41 3b8h s ARG 399 Ca 0.00 0.21 -0.28 0.00 -0.13 0.00 0.00 55.73 55.53 3b8h s ARG 399 Cb 0.00 -0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 3b8h s ARG 399 CO 0.00 -0.13 1.01 0.08 -0.81 0.00 0.00 175.30 175.45 3b8h s VAL 400 N 0.88 4.57 -0.14 7.11 1.01 -0.58 -1.03 120.40 132.22 3b8h s VAL 400 Ca -0.07 1.62 0.17 0.00 0.00 0.00 0.00 61.98 63.69 3b8h s VAL 400 Cb -0.10 -4.36 -0.24 0.00 0.00 0.00 0.00 36.38 31.68 3b8h s VAL 400 CO -0.03 -0.43 0.35 0.49 0.00 0.00 0.00 175.10 175.48 3b8h n PHE 401 N 6.73 0.37 -3.81 5.22 3.72 0.19 0.70 117.46 130.59 3b8h n PHE 401 Ca 0.10 0.13 -0.11 0.00 -0.05 0.00 0.00 57.45 57.52 3b8h n PHE 401 Cb 0.47 -1.01 -0.08 0.00 -0.94 0.00 0.00 39.48 37.92 3b8h n PHE 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3b8h s ALA 402 N -2.67 -0.50 0.00 4.37 0.00 -0.81 -4.46 121.76 117.69 3b8h s ALA 402 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3b8h s ALA 402 Cb 0.08 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3b8h s ALA 402 CO 0.83 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.64 3b8h n GLY 403 N 0.72 -0.57 2.88 0.00 0.00 0.25 -1.29 105.19 107.17 3b8h n GLY 403 Ca -0.19 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 3b8h n GLY 403 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b8h s THR 404 N 0.00 0.53 0.07 2.61 -4.23 -1.09 -1.20 115.64 112.34 3b8h s THR 404 Ca 0.00 -0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.25 3b8h s THR 404 Cb 0.00 -0.57 -0.06 0.00 1.34 0.00 0.00 72.50 73.20 3b8h s THR 404 CO 0.00 0.23 0.51 0.54 -0.54 0.00 0.00 174.62 175.36 3b8h s VAL 405 N 1.05 4.87 -0.03 2.29 0.11 -0.86 -4.86 120.40 122.96 3b8h s VAL 405 Ca -0.09 0.96 -0.09 0.00 -2.93 0.00 0.00 61.98 59.84 3b8h s VAL 405 Cb -0.14 -3.79 0.01 0.00 -1.53 0.00 0.00 36.38 30.93 3b8h s VAL 405 CO -0.01 0.46 0.20 -1.59 -3.33 0.00 0.00 175.10 170.83 3b8h s LYS 406 N -1.39 0.43 0.31 1.54 -2.85 -1.26 0.18 119.74 116.70 3b8h s LYS 406 Ca 0.30 -0.09 -0.29 0.00 -1.00 0.00 0.00 55.97 54.89 3b8h s LYS 406 Cb -0.17 0.19 -0.12 0.00 -2.06 0.00 0.00 37.83 35.66 3b8h s LYS 406 CO 0.17 -0.09 1.43 0.43 0.10 0.00 0.00 175.35 177.39 3b8h n SER 407 N 2.01 3.20 0.00 0.03 7.64 -0.21 -1.86 113.62 124.43 3b8h n SER 407 Ca -0.19 1.18 0.00 0.00 1.01 0.00 0.00 58.87 60.87 3b8h n SER 407 Cb 0.57 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 3b8h n SER 407 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3b8h n GLY 408 N 1.44 3.08 3.72 0.23 0.00 0.27 -4.99 105.19 108.94 3b8h n GLY 408 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3b8h n GLY 408 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3b8h n GLN 409 N -1.62 2.33 -2.72 1.61 7.27 -0.78 -4.45 117.38 119.03 3b8h n GLN 409 Ca 0.00 0.82 -0.40 0.00 0.07 0.00 0.00 57.00 57.49 3b8h n GLN 409 Cb 0.00 -2.48 -0.06 0.00 2.41 0.00 0.00 30.24 30.11 3b8h n GLN 409 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3b8h s LYS 410 N -1.44 4.81 0.01 3.69 2.47 -1.26 -0.50 119.74 127.52 3b8h s LYS 410 Ca 0.59 1.51 -0.05 0.00 -1.56 0.00 0.00 55.97 56.46 3b8h s LYS 410 Cb -0.55 -3.29 -0.00 0.00 -1.46 0.00 0.00 37.83 32.53 3b8h s LYS 410 CO 0.58 0.43 0.09 0.08 0.16 0.00 0.00 175.35 176.70 3b8h s VAL 411 N -0.96 0.09 -0.23 4.02 1.01 0.31 -4.93 120.40 119.71 3b8h s VAL 411 Ca 0.42 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 3b8h s VAL 411 Cb -0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3b8h s VAL 411 CO 0.32 -0.40 0.77 -0.13 0.00 0.00 0.00 175.10 175.66 3b8h s ARG 412 N -1.37 4.19 -0.47 2.72 0.52 -0.07 -1.12 118.95 123.36 3b8h s ARG 412 Ca -0.15 0.85 -0.14 0.00 -0.52 0.00 0.00 55.73 55.77 3b8h s ARG 412 Cb -0.08 -3.63 0.09 0.00 0.52 0.00 0.00 34.95 31.85 3b8h s ARG 412 CO 0.01 -0.43 0.39 0.42 0.02 0.00 0.00 175.30 175.70 3b8h s ILE 413 N 2.55 5.00 -0.42 1.52 1.01 0.12 -1.78 121.20 129.19 3b8h s ILE 413 Ca 0.33 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 3b8h s ILE 413 Cb -0.16 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.31 3b8h s ILE 413 CO 0.09 -0.62 0.31 -1.10 0.00 0.00 0.00 174.94 173.61 3b8h s GLN 414 N 1.58 2.91 1.18 2.79 -0.21 -0.15 -1.64 119.66 126.11 3b8h s GLN 414 Ca 0.04 -1.17 -0.19 0.00 0.02 0.00 0.00 55.36 54.06 3b8h s GLN 414 Cb -0.25 -3.96 0.28 0.00 1.00 0.00 0.00 33.01 30.08 3b8h s GLN 414 CO 0.05 -0.84 1.12 0.20 -2.12 0.00 0.00 175.29 173.70 3b8h s GLY 415 N 1.96 1.59 0.58 3.09 0.00 -0.19 -2.06 107.32 112.28 3b8h s GLY 415 Ca 0.04 -0.93 0.28 0.00 0.00 0.00 0.00 44.72 44.11 3b8h s GLY 415 CO 0.08 -0.06 2.00 -0.56 0.00 0.00 0.00 173.10 174.55 3b8h h PRO 416 N -2.51 0.00 -0.34 2.90 0.13 -1.88 -1.55 132.00 128.75 3b8h h PRO 416 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3b8h h PRO 416 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3b8h h PRO 416 CO 0.36 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.22 3b8h n ASN 417 N -3.91 3.12 -4.75 1.44 3.02 -1.26 -5.02 115.26 107.92 3b8h n ASN 417 Ca 0.06 -1.90 -0.37 0.00 -0.03 0.00 0.00 54.58 52.34 3b8h n ASN 417 Cb 0.51 -0.22 0.04 0.00 -0.61 0.00 0.00 39.78 39.51 3b8h n ASN 417 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3b8h s TYR 418 N -1.24 2.30 -0.10 3.10 5.04 -0.59 -4.88 117.35 120.99 3b8h s TYR 418 Ca 0.32 1.49 -0.06 0.00 -2.44 0.00 0.00 57.07 56.37 3b8h s TYR 418 Cb 0.18 -3.58 0.04 0.00 0.35 0.00 0.00 41.96 38.95 3b8h s TYR 418 CO 0.25 -2.48 0.24 0.08 -1.34 0.00 0.00 175.55 172.30 3b8h s VAL 419 N -1.49 -0.03 0.64 3.14 1.01 -1.26 -4.81 120.40 117.59 3b8h s VAL 419 Ca 0.78 0.10 0.22 0.00 0.00 0.00 0.00 61.98 63.08 3b8h s VAL 419 Cb -0.34 -0.36 0.25 0.00 0.00 0.00 0.00 36.38 35.94 3b8h s VAL 419 CO 0.37 0.04 1.60 -0.65 0.00 0.00 0.00 175.10 176.46 3b8h h PRO 420 N 6.74 0.00 0.00 2.72 0.11 -1.91 -2.21 132.00 137.46 3b8h h PRO 420 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3b8h h PRO 420 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3b8h h PRO 420 CO 0.37 0.00 -0.06 0.78 -0.21 0.00 0.00 178.00 178.88 3b8h h GLY 421 N 0.00 0.00 -0.04 -0.55 0.00 -1.96 -3.47 103.07 97.06 3b8h h GLY 421 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3b8h h GLY 421 CO -0.00 0.00 0.02 0.28 0.00 0.00 0.00 176.54 176.84 3b8h n LYS 422 N -4.71 0.00 0.00 4.80 5.02 -0.83 -5.02 118.16 117.42 3b8h n LYS 422 Ca -0.04 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3b8h n LYS 422 Cb 0.17 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 3b8h n LYS 422 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3b8h n LYS 423 N -1.12 -0.51 -2.45 1.97 3.00 -1.26 -4.77 118.16 113.02 3b8h n LYS 423 Ca 0.01 -0.61 -0.39 0.00 -0.00 0.00 0.00 58.31 57.32 3b8h n LYS 423 Cb 0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 35.03 34.03 3b8h n LYS 423 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3b8h s ASP 424 N -0.12 6.99 -1.70 3.14 -1.08 -1.26 -3.46 116.67 119.18 3b8h s ASP 424 Ca 0.00 2.23 0.00 0.00 -0.52 0.00 0.00 52.55 54.26 3b8h s ASP 424 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 3b8h s ASP 424 CO 0.00 -0.34 0.00 -0.67 0.52 0.00 0.00 175.17 174.68 3b8h n ASP 425 N 0.66 -5.52 -4.43 -0.34 -0.08 -1.26 -4.29 116.55 101.28 3b8h n ASP 425 Ca 0.01 0.04 -0.33 0.00 -1.51 0.00 0.00 54.79 53.00 3b8h n ASP 425 Cb 0.46 -4.58 -0.14 0.00 2.34 0.00 0.00 41.12 39.20 3b8h n ASP 425 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3b8h s LEU 426 N -5.42 2.66 -0.17 -2.67 2.96 -1.22 -1.02 118.68 113.80 3b8h s LEU 426 Ca 0.00 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 3b8h s LEU 426 Cb 0.00 -1.55 0.07 0.00 0.50 0.00 0.00 46.19 45.21 3b8h s LEU 426 CO 0.00 0.29 0.13 -0.36 -1.32 0.00 0.00 176.35 175.09 3b8h s PHE 427 N -0.42 0.04 -0.81 5.38 0.08 -0.65 -4.97 117.98 116.62 3b8h s PHE 427 Ca 0.05 -0.09 -0.20 0.00 0.12 0.00 0.00 56.93 56.81 3b8h s PHE 427 Cb -0.12 -0.57 0.11 0.00 -0.57 0.00 0.00 43.02 41.87 3b8h s PHE 427 CO 0.02 -0.50 1.03 0.42 -0.10 0.00 0.00 175.22 176.09 3b8h s ILE 428 N 2.20 4.61 0.47 0.64 1.01 -1.26 0.13 121.20 128.99 3b8h s ILE 428 Ca 0.04 -1.13 0.02 0.00 0.00 0.00 0.00 60.65 59.58 3b8h s ILE 428 Cb -0.15 -4.72 -0.01 0.00 0.01 0.00 0.00 42.46 37.58 3b8h s ILE 428 CO -0.09 -1.45 0.07 -0.54 0.00 0.00 0.00 174.94 172.92 3b8h s LYS 429 N 3.13 2.09 -0.03 2.79 -0.14 -0.27 -4.88 119.74 122.43 3b8h s LYS 429 Ca 0.27 -2.32 0.01 0.00 -1.36 0.00 0.00 55.97 52.57 3b8h s LYS 429 Cb -0.11 -1.05 -0.03 0.00 -1.68 0.00 0.00 37.83 34.96 3b8h s LYS 429 CO -0.02 -0.45 -0.02 0.00 -0.76 0.00 0.00 175.35 174.10 3b8h s ALA 430 N -3.04 3.20 -0.51 5.17 0.00 -1.26 0.11 121.76 125.43 3b8h s ALA 430 Ca 0.13 -0.92 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 3b8h s ALA 430 Cb 0.01 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.82 3b8h s ALA 430 CO 0.08 0.62 1.35 0.42 0.00 0.00 0.00 175.76 178.23 3b8h s ILE 431 N -0.98 3.90 0.42 0.00 -1.09 0.34 -4.87 121.20 118.91 3b8h s ILE 431 Ca 0.17 0.84 0.11 0.00 -2.23 0.00 0.00 60.65 59.53 3b8h s ILE 431 Cb -0.11 -4.43 0.19 0.00 -1.58 0.00 0.00 42.46 36.53 3b8h s ILE 431 CO 0.06 -1.06 1.98 -0.61 -1.23 0.00 0.00 174.94 174.09 3b8h h GLN 432 N 10.56 0.20 -1.69 2.79 4.15 -1.54 0.78 115.11 130.36 3b8h h GLN 432 Ca -0.26 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.16 3b8h h GLN 432 Cb 1.09 -0.03 -0.24 0.00 0.21 0.00 0.00 27.48 28.50 3b8h h GLN 432 CO 1.15 0.29 0.40 0.50 -1.93 0.00 0.00 178.83 179.23 3b8h s ARG 433 N -4.86 0.62 -0.22 1.69 6.06 -1.19 -4.36 118.95 116.69 3b8h s ARG 433 Ca -0.05 0.55 -0.05 0.00 -2.50 0.00 0.00 55.73 53.67 3b8h s ARG 433 Cb 0.16 0.30 -0.02 0.00 0.06 0.00 0.00 34.95 35.45 3b8h s ARG 433 CO 0.72 -0.11 0.01 0.08 -2.50 0.00 0.00 175.30 173.50 3b8h s VAL 434 N -0.13 3.94 0.09 7.11 1.01 -1.26 -1.33 120.40 129.84 3b8h s VAL 434 Ca 0.01 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3b8h s VAL 434 Cb -0.04 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3b8h s VAL 434 CO -0.02 0.40 -0.13 0.68 0.00 0.00 0.00 175.10 176.03 3b8h s VAL 435 N 1.27 1.13 -0.36 2.92 -7.23 -0.73 -0.30 120.40 117.09 3b8h s VAL 435 Ca 0.04 -1.44 -0.23 0.00 -1.81 0.00 0.00 61.98 58.54 3b8h s VAL 435 Cb -0.15 -1.21 0.01 0.00 0.56 0.00 0.00 36.38 35.59 3b8h s VAL 435 CO 0.01 -0.32 0.76 -0.76 -0.31 0.00 0.00 175.10 174.48 3b8h s LEU 436 N -2.00 4.14 -1.29 1.32 1.43 0.17 -1.21 118.68 121.24 3b8h s LEU 436 Ca 0.01 0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.31 3b8h s LEU 436 Cb -0.08 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 43.14 3b8h s LEU 436 CO 0.02 -0.70 2.13 0.23 0.23 0.00 0.00 176.35 178.26 3b8h n MET 437 N 6.34 2.55 -2.57 1.70 2.81 -1.26 -2.26 117.12 124.43 3b8h n MET 437 Ca 0.02 -2.47 -0.41 0.00 -1.81 0.00 0.00 57.70 53.03 3b8h n MET 437 Cb 0.48 -3.23 -0.03 0.00 -0.71 0.00 0.00 33.22 29.74 3b8h n MET 437 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3b8h s MET 438 N 3.72 3.51 3.07 0.03 -1.94 -0.22 -4.53 119.30 122.95 3b8h s MET 438 Ca 0.50 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 3b8h s MET 438 Cb 0.13 -5.12 0.00 0.00 2.01 0.00 0.00 34.83 31.85 3b8h s MET 438 CO -0.03 -2.18 0.00 0.41 -0.01 0.00 0.00 175.02 173.21 3b8h n GLY 439 N 6.56 0.71 0.00 -0.03 0.00 -0.31 -1.80 105.19 110.32 3b8h n GLY 439 Ca 0.27 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3b8h n GLY 439 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3b8h n ARG 440 N 0.00 2.59 -4.32 1.61 0.63 -1.26 -3.73 116.66 112.18 3b8h n ARG 440 Ca 0.00 -1.37 -0.17 0.00 -0.92 0.00 0.00 57.85 55.38 3b8h n ARG 440 Cb 0.00 -0.95 -0.10 0.00 0.45 0.00 0.00 32.46 31.86 3b8h n ARG 440 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3b8h s PHE 441 N -0.88 1.58 0.31 -0.14 0.08 -0.74 -1.33 117.98 116.87 3b8h s PHE 441 Ca 0.00 -0.70 0.08 0.00 0.12 0.00 0.00 56.93 56.43 3b8h s PHE 441 Cb 0.00 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3b8h s PHE 441 CO 0.00 0.20 0.12 0.14 -0.10 0.00 0.00 175.22 175.58 3b8h s VAL 442 N -3.16 3.29 -0.25 -0.44 -7.23 -1.26 -1.06 120.40 110.30 3b8h s VAL 442 Ca 0.22 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3b8h s VAL 442 Cb 0.02 -3.00 0.14 0.00 0.56 0.00 0.00 36.38 34.09 3b8h s VAL 442 CO 0.06 -0.24 0.40 -0.70 -0.31 0.00 0.00 175.10 174.30 3b8h s GLU 443 N -3.82 0.37 0.20 4.82 2.56 -0.96 -4.88 118.70 117.00 3b8h s GLU 443 Ca 0.36 0.59 -0.33 0.00 0.00 0.00 0.00 54.97 55.59 3b8h s GLU 443 Cb -0.04 -0.37 -0.13 0.00 2.00 0.00 0.00 34.13 35.59 3b8h s GLU 443 CO 0.22 -0.63 1.56 -2.30 -0.56 0.00 0.00 175.26 173.56 3b8h n PRO 444 N 5.37 2.28 -3.80 4.30 -0.02 -1.26 -0.65 135.00 141.22 3b8h n PRO 444 Ca -0.04 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.14 3b8h n PRO 444 Cb 0.50 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.28 3b8h n PRO 444 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3b8h s ILE 445 N 0.64 -0.01 0.00 4.25 2.07 0.59 -4.91 121.20 123.83 3b8h s ILE 445 Ca 0.74 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 60.01 3b8h s ILE 445 Cb -0.63 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 41.71 3b8h s ILE 445 CO 0.41 0.01 0.82 0.47 -1.91 0.00 0.00 174.94 174.74 3b8h n ASP 446 N 3.21 0.00 -4.16 4.50 8.00 -1.26 -4.15 116.55 122.69 3b8h n ASP 446 Ca -0.15 0.82 -0.27 0.00 0.71 0.00 0.00 54.79 55.90 3b8h n ASP 446 Cb 0.58 -0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 41.28 3b8h n ASP 446 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3b8h s ASP 447 N -2.55 3.06 -0.28 -2.24 1.47 -1.26 -1.05 116.67 113.83 3b8h s ASP 447 Ca 0.00 -1.71 0.01 0.00 1.18 0.00 0.00 52.55 52.02 3b8h s ASP 447 Cb 0.00 0.58 0.17 0.00 -0.34 0.00 0.00 42.92 43.33 3b8h s ASP 447 CO 0.00 -0.96 0.49 0.00 0.68 0.00 0.00 175.17 175.38 3b8h s PRO 449 N 2.69 1.73 0.54 0.00 0.04 -1.26 -2.03 135.00 136.72 3b8h s PRO 449 Ca 0.14 1.28 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 3b8h s PRO 449 Cb -0.14 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 3b8h s PRO 449 CO -0.23 -2.05 1.21 0.00 0.04 0.00 0.00 177.00 175.97 3b8h n ALA 450 N -3.81 1.02 0.00 8.56 0.00 -0.34 -3.32 120.51 122.63 3b8h n ALA 450 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3b8h n ALA 450 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3b8h n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8h n GLY 451 N 0.95 0.23 3.77 0.00 0.00 0.22 -4.90 105.19 105.48 3b8h n GLY 451 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3b8h n GLY 451 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b8h s ASN 452 N -2.34 5.52 -0.04 1.61 0.01 -1.21 -4.79 114.94 113.70 3b8h s ASN 452 Ca 0.00 -0.02 -0.21 0.00 -0.71 0.00 0.00 52.86 51.92 3b8h s ASN 452 Cb 0.00 -1.48 -0.05 0.00 0.41 0.00 0.00 41.25 40.14 3b8h s ASN 452 CO 0.00 0.17 0.60 -0.63 -1.51 0.00 0.00 177.10 175.73 3b8h s ILE 453 N -1.41 4.99 0.17 0.60 1.09 -1.26 -1.52 121.20 123.86 3b8h s ILE 453 Ca 0.29 1.24 -0.11 0.00 -1.10 0.00 0.00 60.65 60.98 3b8h s ILE 453 Cb -0.12 -3.94 -0.00 0.00 -1.06 0.00 0.00 42.46 37.34 3b8h s ILE 453 CO 0.22 0.36 0.33 -0.51 -0.10 0.00 0.00 174.94 175.24 3b8h s ILE 454 N 0.18 0.06 0.12 2.92 1.10 -0.89 -4.86 121.20 119.84 3b8h s ILE 454 Ca 0.32 -1.27 0.09 0.00 -0.51 0.00 0.00 60.65 59.28 3b8h s ILE 454 Cb -0.18 -1.78 -0.04 0.00 0.15 0.00 0.00 42.46 40.61 3b8h s ILE 454 CO 0.16 -0.27 -0.17 -0.83 -2.11 0.00 0.00 174.94 171.72 3b8h s GLY 455 N -2.95 1.70 -0.01 1.50 0.00 -0.35 -2.32 107.32 104.89 3b8h s GLY 455 Ca 0.15 -1.37 0.05 0.00 0.00 0.00 0.00 44.72 43.56 3b8h s GLY 455 CO -0.01 -1.35 -0.17 1.08 0.00 0.00 0.00 173.10 172.65 3b8h s LEU 456 N -2.22 2.04 -0.10 0.66 1.43 0.18 -1.78 118.68 118.89 3b8h s LEU 456 Ca 0.19 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3b8h s LEU 456 Cb -0.10 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 3b8h s LEU 456 CO 0.11 0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 176.06 3b8h s VAL 457 N -0.42 3.06 0.00 -1.59 1.01 -0.44 0.05 120.40 122.08 3b8h s VAL 457 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3b8h s VAL 457 Cb -0.07 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3b8h s VAL 457 CO -0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3b8h n GLY 458 N 3.13 0.93 0.00 4.51 0.00 -1.26 -1.52 105.19 110.97 3b8h n GLY 458 Ca -0.18 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3b8h n GLY 458 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3b8h n ILE 459 N -0.87 0.00 -0.02 -0.61 5.41 -1.26 -4.65 119.36 117.35 3b8h n ILE 459 Ca 0.00 -0.13 0.24 0.00 1.00 0.00 0.00 62.75 63.86 3b8h n ILE 459 Cb 0.19 0.97 0.71 0.00 -0.71 0.00 0.00 39.64 40.80 3b8h n ILE 459 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 3b8h h ASP 460 N 0.00 0.00 -0.33 4.38 3.04 -1.81 0.33 116.42 122.02 3b8h h ASP 460 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3b8h h ASP 460 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3b8h h ASP 460 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 3b8h n GLN 461 N -3.81 1.92 0.00 4.15 0.00 -1.26 -4.03 117.38 114.34 3b8h n GLN 461 Ca 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 57.00 55.72 3b8h n GLN 461 Cb 0.83 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 29.71 3b8h n GLN 461 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3b8h n PHE 462 N 0.63 0.00 -5.02 2.61 3.72 0.10 -5.02 117.46 114.49 3b8h n PHE 462 Ca 0.15 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.23 3b8h n PHE 462 Cb 0.36 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.74 3b8h n PHE 462 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3b8h s LEU 463 N -2.57 2.38 -0.09 4.37 1.43 -0.42 -4.90 118.68 118.88 3b8h s LEU 463 Ca 0.00 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 3b8h s LEU 463 Cb 0.00 -1.50 -0.27 0.00 0.03 0.00 0.00 46.19 44.45 3b8h s LEU 463 CO 0.00 0.17 0.87 0.25 0.23 0.00 0.00 176.35 177.88 3b8h h LEU 464 N 6.63 0.21 0.00 1.79 5.85 -1.89 -3.42 115.31 124.49 3b8h h LEU 464 Ca -0.23 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.56 3b8h h LEU 464 Cb 1.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3b8h h LEU 464 CO 0.51 1.13 0.00 0.29 -0.34 0.00 0.00 178.44 180.02 3b8h n LYS 465 N -4.42 0.00 -3.95 1.25 5.02 -1.26 -4.78 118.16 110.01 3b8h n LYS 465 Ca -0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.08 3b8h n LYS 465 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.51 3b8h n LYS 465 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3b8h s THR 466 N -2.00 0.13 -0.36 -0.18 -1.32 -1.26 -3.22 115.64 107.42 3b8h s THR 466 Ca 0.00 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 3b8h s THR 466 Cb 0.00 -0.70 0.00 0.00 -1.51 0.00 0.00 72.50 70.29 3b8h s THR 466 CO 0.00 -0.58 0.00 0.61 -2.21 0.00 0.00 174.62 172.44 3b8h n GLY 467 N 1.05 -1.25 3.31 6.08 0.00 -1.07 -4.49 105.19 108.82 3b8h n GLY 467 Ca -0.21 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 3b8h n GLY 467 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8h s THR 468 N -2.85 2.17 -0.18 2.61 2.01 -0.88 -1.19 115.64 117.33 3b8h s THR 468 Ca 0.00 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 3b8h s THR 468 Cb 0.00 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 3b8h s THR 468 CO 0.00 0.58 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.65 3b8h s LEU 469 N -0.39 2.76 0.39 4.42 1.02 0.91 -0.98 118.68 126.81 3b8h s LEU 469 Ca 0.03 -0.38 0.06 0.00 0.02 0.00 0.00 54.13 53.86 3b8h s LEU 469 Cb -0.12 -1.67 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 3b8h s LEU 469 CO 0.01 0.06 0.20 0.42 0.02 0.00 0.00 176.35 177.07 3b8h s THR 470 N 0.99 0.30 0.00 5.49 -4.23 -0.74 -0.81 115.64 116.64 3b8h s THR 470 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3b8h s THR 470 Cb -0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3b8h s THR 470 CO -0.01 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.42 3b8h n THR 471 N -0.84 0.00 -3.06 3.99 -2.24 -1.23 -0.89 114.28 110.00 3b8h n THR 471 Ca -0.01 -0.17 -0.39 0.00 -2.27 0.00 0.00 64.05 61.21 3b8h n THR 471 Cb 0.64 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 3b8h n THR 471 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3b8h s SER 472 N -0.60 7.24 0.04 3.42 0.15 -1.26 -4.95 113.70 117.73 3b8h s SER 472 Ca 0.00 1.47 0.22 0.00 0.70 0.00 0.00 55.95 58.34 3b8h s SER 472 Cb 0.00 -2.45 0.92 0.00 -1.71 0.00 0.00 66.02 62.78 3b8h s SER 472 CO 0.00 0.16 1.70 1.21 1.20 0.00 0.00 173.24 177.51 3b8h n GLU 473 N 2.06 0.03 -0.08 5.44 2.13 -1.26 -2.98 120.64 125.99 3b8h n GLU 473 Ca -0.06 0.16 0.06 0.00 0.66 0.00 0.00 57.16 57.98 3b8h n GLU 473 Cb 0.50 -1.55 0.10 0.00 0.27 0.00 0.00 31.44 30.76 3b8h n GLU 473 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3b8h n THR 474 N -1.61 1.56 -2.96 6.31 -2.24 -1.26 -4.90 114.28 109.17 3b8h n THR 474 Ca 0.05 -1.73 -0.40 0.00 -2.27 0.00 0.00 64.05 59.69 3b8h n THR 474 Cb 0.26 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 3b8h n THR 474 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b8h s ALA 475 N -2.12 3.34 0.89 6.98 0.00 -1.16 -4.96 121.76 124.73 3b8h s ALA 475 Ca 0.21 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 3b8h s ALA 475 Cb 0.18 -3.07 0.13 0.00 0.00 0.00 0.00 23.12 20.35 3b8h s ALA 475 CO 0.03 -0.24 1.18 -1.01 0.00 0.00 0.00 175.76 175.71 3b8h s HIS 476 N 1.12 2.48 0.56 0.00 3.76 -1.26 -4.67 115.29 117.28 3b8h s HIS 476 Ca 0.40 0.73 -0.17 0.00 -0.15 0.00 0.00 55.06 55.87 3b8h s HIS 476 Cb -0.18 -3.52 -0.05 0.00 1.11 0.00 0.00 32.58 29.94 3b8h s HIS 476 CO 0.19 -2.24 1.06 -0.80 -0.85 0.00 0.00 174.74 172.10 3b8h s ASN 477 N -4.34 5.89 0.51 1.40 0.01 -1.26 -4.91 114.94 112.24 3b8h s ASN 477 Ca 0.65 1.89 -0.08 0.00 -0.71 0.00 0.00 52.86 54.61 3b8h s ASN 477 Cb -0.12 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 3b8h s ASN 477 CO 0.52 -1.10 0.86 -0.04 -1.51 0.00 0.00 177.10 175.83 3b8h s MET 478 N -3.77 3.60 -0.51 -0.60 -1.94 -1.26 -2.50 119.30 112.32 3b8h s MET 478 Ca 0.66 0.42 -0.39 0.00 -1.71 0.00 0.00 55.69 54.66 3b8h s MET 478 Cb -0.17 -2.28 -0.17 0.00 2.01 0.00 0.00 34.83 34.22 3b8h s MET 478 CO 0.32 -0.29 2.23 1.17 -0.01 0.00 0.00 175.02 178.43 3b8h n LYS 479 N -2.25 0.36 -2.82 2.03 4.81 -0.37 -4.84 118.16 115.08 3b8h n LYS 479 Ca 0.03 0.09 -0.33 0.00 -0.87 0.00 0.00 58.31 57.23 3b8h n LYS 479 Cb 0.55 -1.85 -0.06 0.00 0.02 0.00 0.00 35.03 33.68 3b8h n LYS 479 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3b8h s VAL 480 N 6.94 4.45 -0.33 3.15 -7.23 -1.26 -5.05 120.40 121.08 3b8h s VAL 480 Ca 1.18 1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 62.66 3b8h s VAL 480 Cb -1.24 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 32.11 3b8h s VAL 480 CO 0.58 -0.35 0.10 -0.04 -0.31 0.00 0.00 175.10 175.09 3b8h s MET 481 N -3.26 2.79 0.56 4.82 1.00 -1.26 -5.08 119.30 118.87 3b8h s MET 481 Ca 0.60 -1.06 -0.21 0.00 0.00 0.00 0.00 55.69 55.02 3b8h s MET 481 Cb -0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 34.83 31.24 3b8h s MET 481 CO 0.16 -0.59 1.35 1.63 0.00 0.00 0.00 175.02 177.56 3b8h n LYS 482 N 4.84 1.62 -3.63 2.03 5.02 -1.26 -4.98 118.16 121.81 3b8h n LYS 482 Ca -0.13 0.60 -0.14 0.00 -2.02 0.00 0.00 58.31 56.61 3b8h n LYS 482 Cb 0.46 -2.57 -0.07 0.00 -0.02 0.00 0.00 35.03 32.83 3b8h n LYS 482 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3b8h s PHE 483 N -1.30 -0.72 0.04 2.13 -0.12 -1.26 -5.04 117.98 111.71 3b8h s PHE 483 Ca 0.73 1.70 0.01 0.00 -0.05 0.00 0.00 56.93 59.32 3b8h s PHE 483 Cb -0.41 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 3b8h s PHE 483 CO 0.48 -0.39 0.10 -1.54 -0.05 0.00 0.00 175.22 173.83 3b8h s SER 484 N 0.14 5.74 0.00 1.98 1.04 -1.26 -4.99 113.70 116.36 3b8h s SER 484 Ca -0.02 0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.61 3b8h s SER 484 Cb -0.04 -1.63 0.06 0.00 0.10 0.00 0.00 66.02 64.50 3b8h s SER 484 CO 0.02 0.21 0.75 0.52 0.98 0.00 0.00 173.24 175.72 3b8h n VAL 485 N 0.72 0.00 -2.26 5.02 0.31 -1.26 -4.94 118.33 115.92 3b8h n VAL 485 Ca -0.10 -0.48 -0.43 0.00 -0.01 0.00 0.00 64.34 63.33 3b8h n VAL 485 Cb 0.52 1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 34.60 3b8h n VAL 485 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3b8h s SER 486 N -0.88 6.81 -0.88 4.52 0.15 -1.26 -4.95 113.70 117.21 3b8h s SER 486 Ca 0.10 1.87 -0.25 0.00 0.70 0.00 0.00 55.95 58.37 3b8h s SER 486 Cb 0.08 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.89 3b8h s SER 486 CO 0.14 -0.85 1.41 -2.16 1.20 0.00 0.00 173.24 172.97 3b8h s PRO 487 N 3.77 3.35 -0.01 5.44 0.04 -1.26 -4.45 135.00 141.88 3b8h s PRO 487 Ca 0.62 -0.66 0.20 0.00 0.04 0.00 0.00 61.00 61.21 3b8h s PRO 487 Cb -0.26 -4.81 -0.24 0.00 0.04 0.00 0.00 34.50 29.23 3b8h s PRO 487 CO 0.21 -2.24 0.77 1.33 0.04 0.00 0.00 177.00 177.11 3b8h n VAL 488 N 6.72 0.00 -4.77 -0.36 0.24 -1.06 -4.77 118.33 114.33 3b8h n VAL 488 Ca 0.20 -0.12 -0.24 0.00 -2.04 0.00 0.00 64.34 62.13 3b8h n VAL 488 Cb 0.50 0.78 -0.15 0.00 -1.47 0.00 0.00 33.84 33.50 3b8h n VAL 488 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3b8h s VAL 489 N -3.04 1.35 0.00 3.34 -7.23 -1.22 -0.33 120.40 113.28 3b8h s VAL 489 Ca 0.04 -0.78 -0.17 0.00 -1.81 0.00 0.00 61.98 59.27 3b8h s VAL 489 Cb 0.15 -1.14 0.03 0.00 0.56 0.00 0.00 36.38 35.98 3b8h s VAL 489 CO 0.84 0.34 0.36 0.00 -0.31 0.00 0.00 175.10 176.34 3b8h s GLN 490 N -0.51 0.77 -0.02 4.82 -2.07 -0.42 -0.06 119.66 122.19 3b8h s GLN 490 Ca 0.06 -0.24 0.03 0.00 -1.82 0.00 0.00 55.36 53.39 3b8h s GLN 490 Cb -0.07 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 32.19 3b8h s GLN 490 CO -0.00 -0.23 -0.09 0.14 -1.32 0.00 0.00 175.29 173.78 3b8h s VAL 491 N -1.73 0.78 -0.14 3.63 -7.23 -0.97 -0.93 120.40 113.81 3b8h s VAL 491 Ca -0.10 -0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 3b8h s VAL 491 Cb -0.03 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 3b8h s VAL 491 CO 0.02 0.23 1.30 0.00 -0.31 0.00 0.00 175.10 176.35 3b8h s ALA 492 N 0.00 3.64 -0.58 1.32 0.00 -1.26 -2.69 121.76 122.19 3b8h s ALA 492 Ca 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 3b8h s ALA 492 Cb -0.06 -3.63 0.15 0.00 0.00 0.00 0.00 23.12 19.58 3b8h s ALA 492 CO 0.00 -1.16 0.38 0.08 0.00 0.00 0.00 175.76 175.06 3b8h s VAL 493 N 3.43 3.38 0.44 0.00 1.01 -1.16 -1.39 120.40 126.11 3b8h s VAL 493 Ca 0.57 -3.00 0.07 0.00 0.00 0.00 0.00 61.98 59.61 3b8h s VAL 493 Cb -0.23 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3b8h s VAL 493 CO 0.17 -0.84 0.60 -0.70 0.00 0.00 0.00 175.10 174.33 3b8h s GLU 494 N -0.06 2.79 0.33 2.72 2.12 -0.96 -4.69 118.70 120.95 3b8h s GLU 494 Ca 0.16 -1.16 -0.08 0.00 0.36 0.00 0.00 54.97 54.26 3b8h s GLU 494 Cb -0.22 -2.72 -0.06 0.00 0.26 0.00 0.00 34.13 31.40 3b8h s GLU 494 CO -0.03 -0.33 0.65 0.14 -0.54 0.00 0.00 175.26 175.15 3b8h s VAL 495 N -2.41 4.90 0.00 3.70 -7.23 -1.26 -0.52 120.40 117.58 3b8h s VAL 495 Ca 0.55 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 3b8h s VAL 495 Cb -0.10 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.13 3b8h s VAL 495 CO 0.34 -0.36 0.00 1.17 -0.31 0.00 0.00 175.10 175.94 3b8h n LYS 496 N -0.94 1.77 -3.94 4.82 3.00 -1.26 -4.64 118.16 116.97 3b8h n LYS 496 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.99 3b8h n LYS 496 Cb 0.54 -0.96 -0.14 0.00 0.00 0.00 0.00 35.03 34.47 3b8h n LYS 496 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3b8h s ASN 497 N -3.39 4.90 0.00 3.14 0.01 -1.26 -4.94 114.94 113.39 3b8h s ASN 497 Ca 0.00 -2.18 0.02 0.00 -0.71 0.00 0.00 52.86 49.99 3b8h s ASN 497 Cb 0.00 -1.69 0.10 0.00 0.41 0.00 0.00 41.25 40.07 3b8h s ASN 497 CO 0.00 -0.42 0.85 0.00 -1.51 0.00 0.00 177.10 176.02 3b8h n ALA 498 N 4.28 1.31 0.02 0.60 0.00 -1.26 -1.44 120.51 124.01 3b8h n ALA 498 Ca 0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 3b8h n ALA 498 Cb 0.41 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 3b8h n ALA 498 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3b8h h ASN 499 N 0.00 0.80 -0.30 0.00 2.35 -2.04 -3.24 115.58 113.15 3b8h h ASN 499 Ca 0.00 -0.56 -0.04 0.00 -0.55 0.00 0.00 56.30 55.15 3b8h h ASN 499 Cb 0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3b8h h ASN 499 CO 0.00 1.35 0.01 0.47 -1.65 0.00 0.00 177.43 177.61 3b8h n ASP 500 N -3.87 3.72 -0.05 5.81 9.92 -0.52 -4.66 116.55 126.90 3b8h n ASP 500 Ca -0.08 -3.15 -0.13 0.00 -0.53 0.00 0.00 54.79 50.91 3b8h n ASP 500 Cb 0.78 -0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 40.62 3b8h n ASP 500 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3b8h h LEU 501 N 1.72 0.29 -2.04 0.64 6.46 -1.48 -3.11 115.31 117.78 3b8h h LEU 501 Ca 0.05 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 3b8h h LEU 501 Cb 1.53 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 3b8h h LEU 501 CO 0.28 0.69 0.26 -0.65 -0.62 0.00 0.00 178.44 178.40 3b8h h PRO 502 N -0.12 0.00 0.00 5.25 0.11 -1.83 0.50 132.00 135.91 3b8h h PRO 502 Ca 0.02 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.97 3b8h h PRO 502 Cb 0.61 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3b8h h PRO 502 CO 0.03 0.00 -0.76 0.87 -0.21 0.00 0.00 178.00 177.93 3b8h h LYS 503 N 0.00 0.00 0.02 1.05 1.79 -1.77 -3.31 116.57 114.35 3b8h h LYS 503 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3b8h h LYS 503 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3b8h h LYS 503 CO 0.00 0.76 -0.01 1.25 -1.08 0.00 0.00 179.45 180.37 3b8h h LEU 504 N 0.00 -0.03 -1.16 2.94 5.85 0.39 -1.69 115.31 121.63 3b8h h LEU 504 Ca -0.01 -0.29 0.25 0.00 0.84 0.00 0.00 57.88 58.67 3b8h h LEU 504 Cb 1.43 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.35 3b8h h LEU 504 CO 0.10 0.61 0.63 0.58 -0.34 0.00 0.00 178.44 180.02 3b8h h VAL 505 N -1.00 0.54 0.16 1.05 2.07 -1.65 0.65 116.25 118.07 3b8h h VAL 505 Ca -0.00 -0.18 -0.30 0.00 0.82 0.00 0.00 66.70 67.04 3b8h h VAL 505 Cb 0.32 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3b8h h VAL 505 CO 0.00 0.09 -1.37 -0.08 0.02 0.00 0.00 177.57 176.24 3b8h h GLU 506 N 0.51 0.33 -0.04 1.57 4.57 -1.70 -3.35 114.58 116.48 3b8h h GLU 506 Ca 0.62 -0.57 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 3b8h h GLU 506 Cb 1.33 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 3b8h h GLU 506 CO -0.39 1.25 -0.46 0.78 -1.18 0.00 0.00 179.01 179.01 3b8h h GLY 507 N 1.27 0.10 1.01 1.92 0.00 0.57 -2.68 103.07 105.25 3b8h h GLY 507 Ca -0.19 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.04 3b8h h GLY 507 CO 0.21 0.09 0.42 1.41 0.00 0.00 0.00 176.54 178.67 3b8h h LEU 508 N 0.08 0.74 -0.07 3.11 3.38 -0.04 0.53 115.31 123.03 3b8h h LEU 508 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3b8h h LEU 508 Cb 0.85 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3b8h h LEU 508 CO 0.06 0.54 0.00 0.29 0.09 0.00 0.00 178.44 179.42 3b8h n LYS 509 N -4.64 0.06 0.10 1.13 5.02 -1.14 -2.76 118.16 115.93 3b8h n LYS 509 Ca 0.05 0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 56.26 3b8h n LYS 509 Cb 0.02 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.29 3b8h n LYS 509 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3b8h h ARG 510 N 0.00 0.44 -0.75 1.97 3.08 -0.71 -3.23 114.38 115.18 3b8h h ARG 510 Ca 0.00 -0.75 -0.01 0.00 0.07 0.00 0.00 59.98 59.29 3b8h h ARG 510 Cb 0.44 0.28 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 3b8h h ARG 510 CO 0.00 1.36 0.43 1.25 -1.07 0.00 0.00 179.97 181.93 3b8h h LEU 511 N -0.04 0.91 -2.10 3.04 5.85 -0.80 0.19 115.31 122.36 3b8h h LEU 511 Ca -0.24 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3b8h h LEU 511 Cb 1.98 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.78 3b8h h LEU 511 CO 0.21 0.72 -0.04 0.28 -0.34 0.00 0.00 178.44 179.27 3b8h h SER 512 N 1.04 0.00 0.85 1.25 0.02 -1.61 -1.50 113.55 113.60 3b8h h SER 512 Ca 0.27 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.00 3b8h h SER 512 Cb -0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3b8h h SER 512 CO -0.05 0.04 -1.01 0.11 -1.14 0.00 0.00 176.83 174.79 3b8h h LYS 513 N 0.00 0.08 0.00 3.45 1.57 -1.01 -3.30 116.57 117.36 3b8h h LYS 513 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3b8h h LYS 513 Cb 0.09 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3b8h h LYS 513 CO 0.01 1.01 -0.08 0.66 -0.57 0.00 0.00 179.45 180.48 3b8h h SER 514 N 0.03 0.00 -2.94 0.86 4.64 -0.38 -3.44 113.55 112.32 3b8h h SER 514 Ca -0.04 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 3b8h h SER 514 Cb 1.73 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.51 3b8h h SER 514 CO 0.14 0.00 -0.50 -0.62 -0.87 0.00 0.00 176.83 174.99 3b8h s ASP 515 N -5.63 0.15 0.14 4.97 -1.08 -0.86 -4.97 116.67 109.39 3b8h s ASP 515 Ca 0.08 0.62 0.19 0.00 -0.52 0.00 0.00 52.55 52.92 3b8h s ASP 515 Cb 0.08 0.70 0.80 0.00 -1.46 0.00 0.00 42.92 43.03 3b8h s ASP 515 CO 0.66 -0.22 1.58 -2.65 0.52 0.00 0.00 175.17 175.05 3b8h n PRO 516 N 5.09 0.10 -0.00 4.34 -0.02 -1.26 -3.00 135.00 140.25 3b8h n PRO 516 Ca -0.11 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 3b8h n PRO 516 Cb 0.51 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.17 3b8h n PRO 516 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b8h s VAL 518 N -2.82 4.65 -0.24 0.00 0.11 -1.16 -4.60 120.40 116.35 3b8h s VAL 518 Ca 0.02 1.39 -0.00 0.00 -2.93 0.00 0.00 61.98 60.46 3b8h s VAL 518 Cb 0.12 -3.99 0.07 0.00 -1.53 0.00 0.00 36.38 31.05 3b8h s VAL 518 CO 0.71 0.52 -0.00 -0.22 -3.33 0.00 0.00 175.10 172.77 3b8h s LEU 519 N -0.94 2.21 -0.16 2.54 2.96 -0.75 -4.69 118.68 119.86 3b8h s LEU 519 Ca 0.32 -1.18 -0.08 0.00 -0.22 0.00 0.00 54.13 52.97 3b8h s LEU 519 Cb -0.20 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 3b8h s LEU 519 CO 0.21 -0.29 0.11 0.42 -1.32 0.00 0.00 176.35 175.49 3b8h s THR 520 N 1.54 5.26 0.25 3.68 -4.23 -1.26 -0.59 115.64 120.29 3b8h s THR 520 Ca -0.02 0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.48 3b8h s THR 520 Cb -0.18 -3.34 -0.00 0.00 1.34 0.00 0.00 72.50 70.32 3b8h s THR 520 CO -0.09 0.52 0.51 -0.72 -0.54 0.00 0.00 174.62 174.31 3b8h s TYR 521 N -0.26 0.28 -0.17 3.99 -0.85 -1.16 -4.98 117.35 114.20 3b8h s TYR 521 Ca 0.10 -0.66 -0.05 0.00 -0.52 0.00 0.00 57.07 55.94 3b8h s TYR 521 Cb -0.12 0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.46 3b8h s TYR 521 CO 0.01 -1.03 0.01 -1.64 -1.52 0.00 0.00 175.55 171.38 3b8h s MET 522 N -4.00 3.80 0.03 -3.49 -1.94 -1.26 -1.47 119.30 110.97 3b8h s MET 522 Ca 0.21 -0.43 -0.01 0.00 -1.71 0.00 0.00 55.69 53.75 3b8h s MET 522 Cb -0.01 -3.05 0.01 0.00 2.01 0.00 0.00 34.83 33.78 3b8h s MET 522 CO 0.09 0.27 0.04 -1.13 -0.01 0.00 0.00 175.02 174.28 3b8h n SER 523 N 3.49 -0.07 -0.30 3.03 3.41 -0.01 -4.95 113.62 118.21 3b8h n SER 523 Ca -0.17 -0.98 0.12 0.00 -0.26 0.00 0.00 58.87 57.58 3b8h n SER 523 Cb 0.52 -0.03 0.23 0.00 -0.26 0.00 0.00 64.21 64.67 3b8h n SER 523 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3b8h n GLU 524 N -1.12 0.88 -0.26 4.33 0.00 -1.26 -3.53 120.64 119.68 3b8h n GLU 524 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 57.16 56.59 3b8h n GLU 524 Cb 0.02 -1.49 0.15 0.00 0.00 0.00 0.00 31.44 30.12 3b8h n GLU 524 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3b8h n SER 525 N -0.53 2.26 0.00 4.31 3.41 -1.26 -4.87 113.62 116.95 3b8h n SER 525 Ca 0.11 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 3b8h n SER 525 Cb 0.39 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3b8h n SER 525 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b8h n GLY 526 N 0.58 0.35 3.82 5.00 0.00 -1.23 -4.99 105.19 108.72 3b8h n GLY 526 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3b8h n GLY 526 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b8h s GLU 527 N -0.76 4.25 -0.27 1.61 2.02 -1.26 -4.85 118.70 119.44 3b8h s GLU 527 Ca 0.00 0.87 -0.09 0.00 0.02 0.00 0.00 54.97 55.77 3b8h s GLU 527 Cb 0.00 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 3b8h s GLU 527 CO 0.00 0.39 0.13 -1.01 0.02 0.00 0.00 175.26 174.79 3b8h s HIS 528 N -1.53 3.15 0.53 1.61 3.76 -1.26 -0.83 115.29 120.72 3b8h s HIS 528 Ca 0.43 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.16 3b8h s HIS 528 Cb -0.16 -2.32 0.02 0.00 1.11 0.00 0.00 32.58 31.23 3b8h s HIS 528 CO 0.21 -0.30 0.33 0.42 -0.85 0.00 0.00 174.74 174.55 3b8h s ILE 529 N 1.67 1.64 -0.15 0.60 -1.09 -0.54 -3.01 121.20 120.32 3b8h s ILE 529 Ca 0.06 -1.58 -0.04 0.00 -2.23 0.00 0.00 60.65 56.86 3b8h s ILE 529 Cb -0.16 -2.22 0.08 0.00 -1.58 0.00 0.00 42.46 38.58 3b8h s ILE 529 CO 0.07 0.00 0.24 0.54 -1.23 0.00 0.00 174.94 174.56 3b8h s VAL 530 N -2.77 -0.37 -0.03 2.92 0.11 -1.10 -3.00 120.40 116.16 3b8h s VAL 530 Ca 0.30 0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 3b8h s VAL 530 Cb -0.01 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3b8h s VAL 530 CO 0.19 -0.00 0.04 0.00 -3.33 0.00 0.00 175.10 171.99 3b8h s ALA 531 N 2.37 3.44 0.46 1.54 0.00 0.24 -2.28 121.76 127.53 3b8h s ALA 531 Ca 0.04 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3b8h s ALA 531 Cb -0.13 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3b8h s ALA 531 CO -0.10 0.65 0.10 0.20 0.00 0.00 0.00 175.76 176.60 3b8h s GLY 532 N -1.40 2.83 0.09 0.00 0.00 0.92 -1.80 107.32 107.95 3b8h s GLY 532 Ca 0.19 -0.82 -0.06 0.00 0.00 0.00 0.00 44.72 44.04 3b8h s GLY 532 CO 0.09 -1.96 1.17 -0.84 0.00 0.00 0.00 173.10 171.56 3b8h h THR 533 N 1.59 1.45 -2.58 0.90 2.02 -1.81 -2.81 112.91 111.67 3b8h h THR 533 Ca -0.37 -2.86 -0.00 0.00 0.77 0.00 0.00 66.41 63.95 3b8h h THR 533 Cb 1.29 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 70.52 3b8h h THR 533 CO 0.61 0.84 0.21 0.61 0.37 0.00 0.00 175.52 178.16 3b8h n GLY 534 N 1.39 1.26 0.50 2.16 0.00 -1.26 -4.46 105.19 104.77 3b8h n GLY 534 Ca -0.09 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 3b8h n GLY 534 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3b8h h GLU 535 N 0.00 -0.86 -0.01 1.61 4.81 -1.94 -0.66 114.58 117.54 3b8h h GLU 535 Ca -0.21 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3b8h h GLU 535 Cb 0.80 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3b8h h GLU 535 CO 0.27 -0.57 -0.04 1.25 -0.73 0.00 0.00 179.01 179.18 3b8h h LEU 536 N -0.89 -0.13 -0.74 1.64 5.85 -1.97 -0.33 115.31 118.74 3b8h h LEU 536 Ca -0.04 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.81 3b8h h LEU 536 Cb 0.83 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 3b8h h LEU 536 CO -0.17 -0.07 0.37 -0.74 -0.34 0.00 0.00 178.44 177.49 3b8h h HIS 537 N -0.07 0.66 -0.27 1.25 2.76 -1.94 -1.12 115.15 116.42 3b8h h HIS 537 Ca 0.02 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3b8h h HIS 537 Cb 0.10 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 3b8h h HIS 537 CO -0.12 0.22 0.04 1.25 -1.30 0.00 0.00 177.93 178.02 3b8h h LEU 538 N 0.61 0.43 -2.07 0.26 5.85 -0.67 -1.70 115.31 118.02 3b8h h LEU 538 Ca 0.37 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3b8h h LEU 538 Cb 0.42 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3b8h h LEU 538 CO -0.29 0.59 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.99 3b8h h GLU 539 N 0.25 0.00 0.12 1.25 4.39 -0.38 -0.85 114.58 119.36 3b8h h GLU 539 Ca 0.08 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.50 3b8h h GLU 539 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3b8h h GLU 539 CO 0.01 0.09 -1.45 0.82 -1.16 0.00 0.00 179.01 177.31 3b8h h ILE 540 N 0.00 1.01 -0.02 3.13 2.04 -1.03 -2.96 117.51 119.68 3b8h h ILE 540 Ca -0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.47 3b8h h ILE 540 Cb 0.23 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 3b8h h ILE 540 CO 0.01 0.71 0.02 0.00 0.00 0.00 0.00 178.15 178.89 3b8h h LEU 542 N 0.00 0.55 -0.55 0.00 5.85 -1.16 -2.84 115.31 117.16 3b8h h LEU 542 Ca 0.01 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 3b8h h LEU 542 Cb 0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3b8h h LEU 542 CO -0.00 0.76 0.12 1.56 -0.34 0.00 0.00 178.44 180.54 3b8h h GLN 543 N 0.33 0.88 0.00 1.25 4.20 -1.22 -2.79 115.11 117.76 3b8h h GLN 543 Ca 0.08 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3b8h h GLN 543 Cb 0.50 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3b8h h GLN 543 CO 0.02 0.84 0.00 -0.44 -0.67 0.00 0.00 178.83 178.58 3b8h h ASP 544 N 0.78 0.00 0.02 1.46 5.19 -1.50 -3.12 116.42 119.25 3b8h h ASP 544 Ca 0.17 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3b8h h ASP 544 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3b8h h ASP 544 CO 0.00 0.00 -0.01 0.25 -3.12 0.00 0.00 179.24 176.37 3b8h h LEU 545 N 0.00 -0.02 -0.75 1.55 5.85 -1.25 -1.73 115.31 118.97 3b8h h LEU 545 Ca 0.00 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3b8h h LEU 545 Cb 0.49 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3b8h h LEU 545 CO 0.00 0.81 0.00 -1.84 -0.34 0.00 0.00 178.44 177.07 3b8h n GLU 546 N -4.69 0.80 0.00 1.25 -0.00 -1.14 -1.76 120.64 115.10 3b8h n GLU 546 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 3b8h n GLU 546 Cb 0.37 -1.30 0.00 0.00 -0.00 0.00 0.00 31.44 30.51 3b8h n GLU 546 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3b8h n HIS 547 N -0.05 0.00 -0.00 -1.84 -0.00 -1.18 -3.79 115.22 108.35 3b8h n HIS 547 Ca 0.00 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.29 3b8h n HIS 547 Cb 0.15 0.15 -0.16 0.00 -0.12 0.00 0.00 29.99 30.01 3b8h n HIS 547 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3b8h n ASP 548 N -2.65 0.06 0.00 0.26 8.00 -0.65 -4.36 116.55 117.21 3b8h n ASP 548 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3b8h n ASP 548 Cb 0.31 1.89 0.00 0.00 -0.02 0.00 0.00 41.12 43.29 3b8h n ASP 548 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3b8h n HIS 549 N -2.29 0.00 -3.73 1.24 8.25 -0.72 -5.01 115.22 112.95 3b8h n HIS 549 Ca -0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.34 3b8h n HIS 549 Cb 0.57 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.68 3b8h n HIS 549 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b8h n ALA 550 N -0.17 -0.73 -0.06 -1.41 0.00 -0.75 -2.34 120.51 115.05 3b8h n ALA 550 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.35 3b8h n ALA 550 Cb 0.01 0.81 -0.05 0.00 0.00 0.00 0.00 19.45 20.22 3b8h n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b8h n GLY 551 N -0.39 -0.16 2.90 0.00 0.00 -1.25 -3.40 105.19 102.90 3b8h n GLY 551 Ca -0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3b8h n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8h s VAL 552 N -2.23 0.14 -0.36 1.61 1.01 -1.25 -4.78 120.40 114.54 3b8h s VAL 552 Ca -0.15 -0.07 -0.43 0.00 0.00 0.00 0.00 61.98 61.32 3b8h s VAL 552 Cb 0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 36.38 36.11 3b8h s VAL 552 CO 0.26 0.04 1.64 -0.81 0.00 0.00 0.00 175.10 176.24 3b8h n PRO 553 N 3.06 0.57 0.00 2.72 -0.04 -1.26 -4.95 135.00 135.10 3b8h n PRO 553 Ca -0.13 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3b8h n PRO 553 Cb 0.59 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3b8h n PRO 553 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3b8h n LEU 554 N 4.52 0.00 -3.47 1.53 4.77 -1.26 -4.84 117.00 118.24 3b8h n LEU 554 Ca 0.28 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 3b8h n LEU 554 Cb 0.04 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3b8h n LEU 554 CO 0.84 0.00 2.51 1.17 -1.33 0.00 0.00 177.39 180.58 3b8h n LYS 555 N 0.00 2.29 -2.81 3.23 3.00 0.33 -4.86 118.16 119.33 3b8h n LYS 555 Ca 0.00 -1.96 -0.43 0.00 -0.00 0.00 0.00 58.31 55.92 3b8h n LYS 555 Cb 0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 35.03 32.15 3b8h n LYS 555 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 3b8h s ILE 556 N 3.73 4.41 0.85 3.15 2.07 -1.25 -2.28 121.20 131.88 3b8h s ILE 556 Ca 0.52 -1.02 -0.10 0.00 -1.41 0.00 0.00 60.65 58.63 3b8h s ILE 556 Cb 0.14 -4.83 0.10 0.00 0.13 0.00 0.00 42.46 38.00 3b8h s ILE 556 CO 0.00 -1.61 1.11 -0.94 -1.91 0.00 0.00 174.94 171.59 3b8h s SER 557 N 3.95 3.73 1.04 4.50 1.04 -0.49 -4.97 113.70 122.51 3b8h s SER 557 Ca 0.33 1.93 -0.15 0.00 0.48 0.00 0.00 55.95 58.55 3b8h s SER 557 Cb -0.07 -2.51 0.10 0.00 0.10 0.00 0.00 66.02 63.65 3b8h s SER 557 CO -0.04 -2.55 0.38 -2.65 0.98 0.00 0.00 173.24 169.36 3b8h n PRO 558 N -3.86 -1.10 -2.24 4.02 -0.02 -1.26 -4.41 135.00 126.12 3b8h n PRO 558 Ca 0.10 -0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 60.88 3b8h n PRO 558 Cb 0.53 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 3b8h n PRO 558 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3b8h s PRO 559 N -3.74 4.45 -0.01 0.52 0.04 -1.26 -4.61 135.00 130.39 3b8h s PRO 559 Ca 0.59 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.75 3b8h s PRO 559 Cb -0.18 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 3b8h s PRO 559 CO 0.66 -0.08 -0.20 0.08 0.04 0.00 0.00 177.00 177.50 3b8h s VAL 560 N -0.88 1.59 0.00 -0.36 1.01 -0.11 -4.98 120.40 116.68 3b8h s VAL 560 Ca 0.49 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 3b8h s VAL 560 Cb -0.37 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 3b8h s VAL 560 CO 0.46 0.43 0.56 -0.69 0.00 0.00 0.00 175.10 175.86 3b8h s VAL 561 N -0.49 4.91 0.41 2.92 1.01 -1.26 -1.29 120.40 126.60 3b8h s VAL 561 Ca 0.08 1.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.97 3b8h s VAL 561 Cb -0.08 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 3b8h s VAL 561 CO -0.01 0.46 1.17 0.00 0.00 0.00 0.00 175.10 176.72 3b8h s ALA 562 N -0.45 3.13 0.29 5.51 0.00 0.55 -4.98 121.76 125.82 3b8h s ALA 562 Ca 0.29 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.24 3b8h s ALA 562 Cb -0.18 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3b8h s ALA 562 CO 0.17 -0.55 0.09 0.71 0.00 0.00 0.00 175.76 176.18 3b8h s TYR 563 N -1.44 1.71 -0.01 0.00 2.02 -1.26 -4.31 117.35 114.06 3b8h s TYR 563 Ca 0.58 -1.12 0.05 0.00 -0.37 0.00 0.00 57.07 56.21 3b8h s TYR 563 Cb -0.30 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.19 3b8h s TYR 563 CO 0.38 -0.22 -0.15 1.03 -1.57 0.00 0.00 175.55 175.02 3b8h s ARG 564 N -3.95 1.28 -0.20 -0.62 1.81 -0.47 -3.98 118.95 112.82 3b8h s ARG 564 Ca 0.36 -0.55 -0.11 0.00 -1.72 0.00 0.00 55.73 53.72 3b8h s ARG 564 Cb 0.08 -1.22 -0.05 0.00 -0.45 0.00 0.00 34.95 33.31 3b8h s ARG 564 CO 0.15 0.32 0.17 -1.21 -0.68 0.00 0.00 175.30 174.04 3b8h s GLU 565 N -0.31 4.19 0.29 3.54 2.02 0.15 0.54 118.70 129.11 3b8h s GLU 565 Ca 0.05 -0.16 0.04 0.00 0.02 0.00 0.00 54.97 54.91 3b8h s GLU 565 Cb -0.06 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 3b8h s GLU 565 CO -0.00 0.25 0.25 -0.08 0.02 0.00 0.00 175.26 175.70 3b8h s THR 566 N 0.49 0.00 0.10 3.63 -1.32 0.19 -0.79 115.64 117.93 3b8h s THR 566 Ca 0.10 -1.96 0.09 0.00 -1.21 0.00 0.00 61.69 58.71 3b8h s THR 566 Cb -0.12 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.33 3b8h s THR 566 CO 0.00 0.00 -0.24 0.68 -2.21 0.00 0.00 174.62 172.85 3b8h s VAL 567 N -3.66 1.99 -0.70 5.08 -7.23 -1.26 -0.68 120.40 113.94 3b8h s VAL 567 Ca 0.39 -1.55 0.17 0.00 -1.81 0.00 0.00 61.98 59.18 3b8h s VAL 567 Cb 0.04 -1.76 -0.20 0.00 0.56 0.00 0.00 36.38 35.02 3b8h s VAL 567 CO 0.22 0.11 0.69 1.21 -0.31 0.00 0.00 175.10 177.01 3b8h n GLU 568 N 1.24 1.14 -0.81 4.82 4.07 -0.40 -4.44 120.64 126.27 3b8h n GLU 568 Ca -0.18 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.89 3b8h n GLU 568 Cb 0.53 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.57 3b8h n GLU 568 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3b8h n SER 569 N -1.52 0.00 -4.86 4.31 3.41 -1.06 -4.86 113.62 109.04 3b8h n SER 569 Ca 0.02 -0.73 -0.34 0.00 -0.26 0.00 0.00 58.87 57.57 3b8h n SER 569 Cb 0.30 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 3b8h n SER 569 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3b8h s GLU 570 N -1.18 3.87 -0.02 4.33 2.12 -1.26 -3.88 118.70 122.67 3b8h s GLU 570 Ca 0.00 0.35 -0.38 0.00 0.36 0.00 0.00 54.97 55.29 3b8h s GLU 570 Cb 0.00 -2.81 -0.17 0.00 0.26 0.00 0.00 34.13 31.41 3b8h s GLU 570 CO 0.00 0.41 1.42 0.43 -0.54 0.00 0.00 175.26 176.98 3b8h n SER 571 N 0.37 1.65 0.32 -1.70 7.64 -0.48 -4.55 113.62 116.87 3b8h n SER 571 Ca -0.03 1.11 0.21 0.00 1.01 0.00 0.00 58.87 61.17 3b8h n SER 571 Cb 0.52 -1.15 1.10 0.00 -1.01 0.00 0.00 64.21 63.67 3b8h n SER 571 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3b8h h SER 572 N 5.04 0.00 -5.09 6.43 4.64 -0.89 -3.43 113.55 120.24 3b8h h SER 572 Ca -0.48 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 3b8h h SER 572 Cb 1.34 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.33 3b8h h SER 572 CO 0.81 0.01 0.04 0.00 -0.87 0.00 0.00 176.83 176.82 3b8h s GLN 573 N -4.16 1.41 0.24 4.77 -2.07 -1.26 -5.14 119.66 113.44 3b8h s GLN 573 Ca -0.04 -0.87 -0.30 0.00 -1.82 0.00 0.00 55.36 52.32 3b8h s GLN 573 Cb 0.13 0.53 -0.10 0.00 -1.09 0.00 0.00 33.01 32.47 3b8h s GLN 573 CO 0.45 -0.60 1.46 0.99 -1.32 0.00 0.00 175.29 176.27 3b8h s THR 574 N -3.88 2.64 -0.03 3.63 2.01 -1.26 -4.92 115.64 113.84 3b8h s THR 574 Ca 0.10 0.53 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 3b8h s THR 574 Cb -0.01 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3b8h s THR 574 CO -0.02 0.08 0.48 0.00 -0.69 0.00 0.00 174.62 174.47 3b8h s ALA 575 N 0.13 3.57 -0.00 7.40 0.00 0.46 -4.93 121.76 128.39 3b8h s ALA 575 Ca 0.61 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3b8h s ALA 575 Cb -0.42 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 3b8h s ALA 575 CO 0.42 0.25 -0.04 -1.17 0.00 0.00 0.00 175.76 175.22 3b8h s LEU 576 N -0.36 1.98 -0.06 0.00 2.96 -1.26 -1.04 118.68 120.90 3b8h s LEU 576 Ca 0.26 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.99 3b8h s LEU 576 Cb -0.17 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.31 3b8h s LEU 576 CO 0.14 0.05 0.26 -0.44 -1.32 0.00 0.00 176.35 175.03 3b8h s SER 577 N -0.06 -0.20 0.11 3.68 0.01 -1.04 -0.56 113.70 115.63 3b8h s SER 577 Ca 0.01 0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.60 3b8h s SER 577 Cb -0.02 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 3b8h s SER 577 CO -0.00 -0.23 0.11 -0.54 0.41 0.00 0.00 173.24 172.99 3b8h s LYS 578 N -0.50 2.95 0.65 12.44 1.02 -1.26 -2.07 119.74 132.97 3b8h s LYS 578 Ca -0.06 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.06 3b8h s LYS 578 Cb -0.04 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 3b8h s LYS 578 CO 0.02 0.54 1.09 -1.54 -0.92 0.00 0.00 175.35 174.54 3b8h s SER 579 N -2.64 5.30 0.55 2.83 1.04 -0.69 -4.73 113.70 115.35 3b8h s SER 579 Ca 0.30 1.90 0.31 0.00 0.48 0.00 0.00 55.95 58.94 3b8h s SER 579 Cb -0.12 -2.54 1.47 0.00 0.10 0.00 0.00 66.02 64.94 3b8h s SER 579 CO 0.23 -1.50 1.88 -0.65 0.98 0.00 0.00 173.24 174.19 3b8h h PRO 580 N 0.03 0.00 -0.01 4.02 0.11 -1.90 0.27 132.00 134.52 3b8h h PRO 580 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3b8h h PRO 580 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3b8h h PRO 580 CO 0.55 0.00 -0.02 0.27 -0.21 0.00 0.00 178.00 178.59 3b8h n ASN 581 N -4.14 0.88 0.00 -2.05 0.23 -1.26 -4.93 115.26 103.99 3b8h n ASN 581 Ca 0.16 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.99 3b8h n ASN 581 Cb 0.91 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.61 3b8h n ASN 581 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3b8h n LYS 582 N -0.36 -0.92 -0.00 -3.83 4.01 0.94 -4.84 118.16 113.16 3b8h n LYS 582 Ca 0.20 0.23 0.10 0.00 -0.51 0.00 0.00 58.31 58.34 3b8h n LYS 582 Cb 0.26 -3.99 -0.13 0.00 -0.51 0.00 0.00 35.03 30.66 3b8h n LYS 582 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3b8h n HIS 583 N -2.41 0.01 -4.48 2.13 8.25 -1.26 -4.92 115.22 112.54 3b8h n HIS 583 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 3b8h n HIS 583 Cb 0.23 -0.21 -0.13 0.00 1.12 0.00 0.00 29.99 31.00 3b8h n HIS 583 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3b8h s ASN 584 N -3.61 2.59 0.02 0.41 0.01 -1.26 -3.26 114.94 109.83 3b8h s ASN 584 Ca 0.02 -0.61 0.01 0.00 -0.71 0.00 0.00 52.86 51.57 3b8h s ASN 584 Cb 0.15 -0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.61 3b8h s ASN 584 CO 0.88 0.12 -0.04 -0.13 -1.51 0.00 0.00 177.10 176.42 3b8h s ARG 585 N -1.55 0.32 -0.06 -0.60 0.52 -0.19 -1.71 118.95 115.68 3b8h s ARG 585 Ca 0.08 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 54.79 3b8h s ARG 585 Cb -0.09 -0.06 0.02 0.00 0.52 0.00 0.00 34.95 35.34 3b8h s ARG 585 CO 0.03 -0.00 -0.05 0.42 0.02 0.00 0.00 175.30 175.72 3b8h s ILE 586 N -1.06 0.66 -0.09 1.52 1.01 -0.88 -1.88 121.20 120.48 3b8h s ILE 586 Ca -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3b8h s ILE 586 Cb -0.08 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 3b8h s ILE 586 CO -0.00 0.27 -0.05 -0.31 0.00 0.00 0.00 174.94 174.85 3b8h s TYR 587 N 1.21 2.99 0.25 3.97 2.02 0.11 -2.51 117.35 125.40 3b8h s TYR 587 Ca -0.06 -0.01 -0.21 0.00 -0.37 0.00 0.00 57.07 56.42 3b8h s TYR 587 Cb -0.14 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 3b8h s TYR 587 CO -0.02 0.28 0.68 -0.48 -1.57 0.00 0.00 175.55 174.45 3b8h s LEU 588 N -0.59 -0.28 0.02 -1.29 0.05 -0.21 -0.95 118.68 115.43 3b8h s LEU 588 Ca 0.09 -0.51 0.02 0.00 0.05 0.00 0.00 54.13 53.78 3b8h s LEU 588 Cb -0.12 2.65 -0.02 0.00 -2.05 0.00 0.00 46.19 46.66 3b8h s LEU 588 CO 0.02 -1.26 -0.08 -0.54 -0.55 0.00 0.00 176.35 173.94 3b8h s LYS 589 N -3.89 0.54 0.12 1.48 1.02 -0.73 -0.41 119.74 117.87 3b8h s LYS 589 Ca 0.10 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.58 3b8h s LYS 589 Cb -0.05 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.80 3b8h s LYS 589 CO 0.03 0.10 0.12 0.00 -0.92 0.00 0.00 175.35 174.68 3b8h s ALA 590 N -0.83 3.61 0.14 5.17 0.00 -1.26 -0.19 121.76 128.40 3b8h s ALA 590 Ca -0.04 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 3b8h s ALA 590 Cb -0.07 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.65 3b8h s ALA 590 CO 0.00 0.63 0.44 -1.83 0.00 0.00 0.00 175.76 175.01 3b8h s GLU 591 N -2.75 1.15 0.42 0.00 -1.05 0.49 -1.39 118.70 115.56 3b8h s GLU 591 Ca 0.31 -0.71 -0.24 0.00 -0.15 0.00 0.00 54.97 54.17 3b8h s GLU 591 Cb -0.11 0.49 -0.08 0.00 -0.44 0.00 0.00 34.13 33.99 3b8h s GLU 591 CO 0.23 -0.46 1.15 -2.14 0.95 0.00 0.00 175.26 174.99 3b8h s PRO 592 N -3.81 3.97 -0.23 -4.83 0.02 -1.25 -0.84 135.00 128.03 3b8h s PRO 592 Ca 0.04 1.77 -0.10 0.00 0.02 0.00 0.00 61.00 62.73 3b8h s PRO 592 Cb 0.01 -2.57 -0.05 0.00 0.02 0.00 0.00 34.50 31.92 3b8h s PRO 592 CO -0.10 -0.37 0.14 0.42 -0.33 0.00 0.00 177.00 176.76 3b8h s ILE 593 N -1.49 5.20 0.48 2.83 1.01 0.12 -4.73 121.20 124.62 3b8h s ILE 593 Ca 0.59 0.12 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 3b8h s ILE 593 Cb -0.29 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 3b8h s ILE 593 CO 0.36 0.36 1.00 0.47 0.00 0.00 0.00 174.94 177.13 3b8h n ASP 594 N 4.24 1.13 -0.17 3.58 8.00 -1.26 -4.77 116.55 127.30 3b8h n ASP 594 Ca -0.15 0.96 -0.01 0.00 0.71 0.00 0.00 54.79 56.29 3b8h n ASP 594 Cb 0.52 -1.37 0.07 0.00 -0.02 0.00 0.00 41.12 40.31 3b8h n ASP 594 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3b8h h GLU 595 N 1.21 0.08 -0.16 -1.24 4.39 -1.98 -1.76 114.58 115.13 3b8h h GLU 595 Ca -0.46 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.27 3b8h h GLU 595 Cb 1.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 3b8h h GLU 595 CO 0.55 0.06 0.11 1.05 -1.16 0.00 0.00 179.01 179.62 3b8h h GLU 596 N 0.09 0.04 0.01 2.33 4.11 -1.99 0.13 114.58 119.29 3b8h h GLU 596 Ca 0.27 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.47 3b8h h GLU 596 Cb 0.42 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.68 3b8h h GLU 596 CO -0.47 0.03 -0.91 0.28 0.07 0.00 0.00 179.01 178.01 3b8h h VAL 597 N 0.05 1.33 -0.81 -1.06 2.07 -1.70 -2.36 116.25 113.77 3b8h h VAL 597 Ca 0.07 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3b8h h VAL 597 Cb 0.23 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 3b8h h VAL 597 CO -0.01 0.67 0.51 0.28 0.02 0.00 0.00 177.57 179.04 3b8h h SER 598 N 0.22 0.96 -0.37 0.57 0.02 -0.58 -1.38 113.55 112.99 3b8h h SER 598 Ca -0.12 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3b8h h SER 598 Cb 1.58 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 3b8h h SER 598 CO 0.18 0.72 0.16 -0.07 -1.14 0.00 0.00 176.83 176.68 3b8h h LEU 599 N 1.11 0.51 -1.85 5.07 3.38 -1.08 -1.17 115.31 121.28 3b8h h LEU 599 Ca 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3b8h h LEU 599 Cb -0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3b8h h LEU 599 CO -0.06 0.52 -0.01 0.00 0.09 0.00 0.00 178.44 178.99 3b8h h ALA 600 N 1.00 1.88 0.04 1.53 0.00 -0.94 0.74 119.26 123.51 3b8h h ALA 600 Ca 0.12 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 3b8h h ALA 600 Cb 0.17 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.95 3b8h h ALA 600 CO -0.01 0.10 -0.92 0.82 0.00 0.00 0.00 179.25 179.24 3b8h h ILE 601 N 0.08 1.35 -0.51 0.00 2.04 -1.00 0.58 117.51 120.05 3b8h h ILE 601 Ca 0.02 -2.25 -0.10 0.00 1.00 0.00 0.00 64.86 63.53 3b8h h ILE 601 Cb 0.07 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 3b8h h ILE 601 CO 0.00 0.68 -0.06 -0.33 0.00 0.00 0.00 178.15 178.43 3b8h h GLU 602 N 0.14 0.90 -0.00 2.37 5.08 -0.26 -2.92 114.58 119.90 3b8h h GLU 602 Ca -0.12 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3b8h h GLU 602 Cb 1.61 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.78 3b8h h GLU 602 CO 0.18 0.94 -0.04 0.09 -1.00 0.00 0.00 179.01 179.17 3b8h n ASN 603 N -4.17 0.06 0.00 1.42 3.02 0.25 -4.92 115.26 110.92 3b8h n ASN 603 Ca 0.02 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 3b8h n ASN 603 Cb 0.36 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3b8h n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b8h n GLY 604 N 1.44 0.70 0.14 7.41 0.00 -0.96 -4.97 105.19 108.95 3b8h n GLY 604 Ca 0.09 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 3b8h n GLY 604 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3b8h h ILE 605 N 0.00 0.75 -3.58 -0.61 1.08 -0.14 -3.41 117.51 111.60 3b8h h ILE 605 Ca 0.00 -1.10 -0.63 0.00 -0.39 0.00 0.00 64.86 62.73 3b8h h ILE 605 Cb 0.00 1.27 -0.14 0.00 -3.07 0.00 0.00 36.82 34.88 3b8h h ILE 605 CO 0.00 0.20 0.20 -0.63 -0.69 0.00 0.00 178.15 177.23 3b8h s ILE 606 N -3.29 4.81 -0.08 -0.67 1.01 -0.48 -4.99 121.20 117.52 3b8h s ILE 606 Ca -0.12 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.03 3b8h s ILE 606 Cb 0.00 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3b8h s ILE 606 CO 0.44 -0.47 -0.16 0.20 0.00 0.00 0.00 174.94 174.95 3b8h s ASN 607 N 1.91 3.86 0.57 3.58 0.01 -1.26 -4.39 114.94 119.22 3b8h s ASN 607 Ca 0.26 -0.30 0.29 0.00 -0.71 0.00 0.00 52.86 52.40 3b8h s ASN 607 Cb -0.14 -1.13 1.73 0.00 0.41 0.00 0.00 41.25 42.13 3b8h s ASN 607 CO 0.17 0.26 2.21 -0.65 -1.51 0.00 0.00 177.10 177.58 3b8h h PRO 608 N 5.96 0.00 0.00 -0.60 0.11 -1.94 -2.79 132.00 132.75 3b8h h PRO 608 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3b8h h PRO 608 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3b8h h PRO 608 CO 0.52 0.04 -1.63 0.54 -0.21 0.00 0.00 178.00 177.25 3b8h n ARG 609 N -3.77 0.45 -1.87 1.05 1.74 -1.26 -4.97 116.66 108.02 3b8h n ARG 609 Ca -0.03 -0.12 -0.36 0.00 -0.77 0.00 0.00 57.85 56.57 3b8h n ARG 609 Cb 0.13 -1.53 0.05 0.00 -1.02 0.00 0.00 32.46 30.09 3b8h n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3b8h s ASP 610 N -4.07 4.88 0.09 0.55 2.15 -1.05 -4.90 116.67 114.31 3b8h s ASP 610 Ca -0.03 2.51 -0.35 0.00 0.43 0.00 0.00 52.55 55.11 3b8h s ASP 610 Cb 0.14 -2.61 -0.15 0.00 -0.30 0.00 0.00 42.92 40.01 3b8h s ASP 610 CO 0.89 -1.81 1.51 -0.67 -0.17 0.00 0.00 175.17 174.92 3b8h n ASP 611 N -1.75 2.45 -0.34 -0.34 2.03 -1.26 -4.82 116.55 112.52 3b8h n ASP 611 Ca 0.15 1.09 -0.04 0.00 0.52 0.00 0.00 54.79 56.51 3b8h n ASP 611 Cb 0.49 -1.31 0.09 0.00 -0.72 0.00 0.00 41.12 39.67 3b8h n ASP 611 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3b8h h PHE 612 N 5.63 1.24 -0.68 -0.67 -5.15 -1.93 0.22 116.94 115.59 3b8h h PHE 612 Ca -0.46 -0.02 -0.06 0.00 -0.20 0.00 0.00 57.97 57.22 3b8h h PHE 612 Cb 1.29 -0.40 -0.03 0.00 0.22 0.00 0.00 35.95 37.04 3b8h h PHE 612 CO 0.64 0.85 0.18 0.87 -2.00 0.00 0.00 178.31 178.85 3b8h h LYS 613 N 1.27 1.08 -0.27 6.09 1.57 -1.94 0.15 116.57 124.52 3b8h h LYS 613 Ca 0.32 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 3b8h h LYS 613 Cb 0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3b8h h LYS 613 CO -0.05 0.95 -0.35 0.00 -0.57 0.00 0.00 179.45 179.42 3b8h h ALA 614 N 1.08 0.41 -0.60 3.86 0.00 -1.83 -2.15 119.26 120.03 3b8h h ALA 614 Ca 0.22 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3b8h h ALA 614 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3b8h h ALA 614 CO -0.00 0.48 0.36 -0.09 0.00 0.00 0.00 179.25 179.99 3b8h h ARG 615 N 0.46 0.82 -0.70 0.00 2.43 -0.39 -2.63 114.38 114.37 3b8h h ARG 615 Ca 0.03 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3b8h h ARG 615 Cb 0.94 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3b8h h ARG 615 CO 0.08 0.60 0.21 0.00 -1.51 0.00 0.00 179.97 179.35 3b8h h ALA 616 N 1.18 0.92 -0.78 2.80 0.00 -0.68 -1.82 119.26 120.87 3b8h h ALA 616 Ca 0.22 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.05 3b8h h ALA 616 Cb -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.42 3b8h h ALA 616 CO -0.04 0.60 0.33 -0.09 0.00 0.00 0.00 179.25 180.05 3b8h h ARG 617 N 1.03 0.47 -0.11 0.00 9.65 -1.08 -0.80 114.38 123.54 3b8h h ARG 617 Ca 0.23 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.06 3b8h h ARG 617 Cb 0.31 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3b8h h ARG 617 CO -0.01 0.31 -0.02 0.82 2.80 0.00 0.00 179.97 183.87 3b8h h ILE 618 N 0.48 1.28 -0.20 1.20 2.04 -1.05 -2.13 117.51 119.12 3b8h h ILE 618 Ca 0.43 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3b8h h ILE 618 Cb 0.65 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3b8h h ILE 618 CO -0.40 0.26 -0.10 0.24 0.00 0.00 0.00 178.15 178.15 3b8h h MET 619 N -0.11 0.32 -0.00 2.37 2.86 -0.84 -0.31 114.93 119.23 3b8h h MET 619 Ca 0.03 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3b8h h MET 619 Cb 0.42 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3b8h h MET 619 CO 0.01 0.44 -0.13 0.00 1.06 0.00 0.00 176.91 178.29 3b8h h ALA 620 N 1.59 0.02 -0.25 6.32 0.00 -1.17 -1.91 119.26 123.86 3b8h h ALA 620 Ca 0.06 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3b8h h ALA 620 Cb 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3b8h h ALA 620 CO 0.02 -0.00 -0.22 -0.44 0.00 0.00 0.00 179.25 178.61 3b8h h ASP 621 N -0.64 0.63 0.00 0.00 3.32 -1.28 -3.09 116.42 115.35 3b8h h ASP 621 Ca -0.02 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3b8h h ASP 621 Cb 0.91 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3b8h h ASP 621 CO 0.03 0.96 -1.14 0.47 -1.72 0.00 0.00 179.24 177.84 3b8h n ASP 622 N -4.37 0.81 -0.15 6.45 8.00 -0.14 -4.57 116.55 122.59 3b8h n ASP 622 Ca -0.04 -0.69 0.02 0.00 0.71 0.00 0.00 54.79 54.78 3b8h n ASP 622 Cb 0.42 1.23 0.02 0.00 -0.02 0.00 0.00 41.12 42.77 3b8h n ASP 622 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3b8h n TYR 623 N -1.63 0.00 -2.12 1.24 4.01 -0.83 -5.02 117.16 112.81 3b8h n TYR 623 Ca 0.02 -0.25 -0.17 0.00 -0.16 0.00 0.00 57.90 57.33 3b8h n TYR 623 Cb 0.34 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.30 3b8h n TYR 623 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3b8h n GLY 624 N -0.32 0.18 3.83 2.72 0.00 -1.08 -4.90 105.19 105.62 3b8h n GLY 624 Ca 0.02 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3b8h n GLY 624 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3b8h s TRP 625 N -2.80 3.54 -0.16 1.61 0.52 -0.78 -4.98 118.94 115.89 3b8h s TRP 625 Ca 0.00 1.27 -0.29 0.00 0.02 0.00 0.00 56.10 57.10 3b8h s TRP 625 Cb 0.00 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.75 3b8h s TRP 625 CO 0.00 0.26 1.51 -0.51 0.02 0.00 0.00 176.95 178.23 3b8h s ASP 626 N -1.90 6.64 0.50 2.95 -0.00 -1.26 -4.14 116.67 119.45 3b8h s ASP 626 Ca 0.46 1.78 0.21 0.00 -0.00 0.00 0.00 52.55 55.00 3b8h s ASP 626 Cb -0.14 -2.53 1.26 0.00 -0.00 0.00 0.00 42.92 41.51 3b8h s ASP 626 CO 0.20 -1.02 2.00 1.62 -0.00 0.00 0.00 175.17 177.97 3b8h h VAL 627 N 5.79 0.81 -0.45 -1.27 3.04 -1.94 0.22 116.25 122.45 3b8h h VAL 627 Ca -0.33 -0.05 -0.06 0.00 -1.01 0.00 0.00 66.70 65.25 3b8h h VAL 627 Cb 1.14 0.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 3b8h h VAL 627 CO 0.98 0.02 0.02 0.71 -1.01 0.00 0.00 177.57 178.30 3b8h h THR 628 N 0.14 1.23 0.02 3.17 1.35 -1.97 -1.93 112.91 114.91 3b8h h THR 628 Ca 0.24 -0.91 -0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3b8h h THR 628 Cb 0.77 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3b8h h THR 628 CO -0.03 0.32 -0.01 0.44 -0.25 0.00 0.00 175.52 175.99 3b8h h ASP 629 N 0.68 -0.03 -0.75 5.36 3.32 -1.00 -3.23 116.42 120.78 3b8h h ASP 629 Ca 0.14 -0.51 0.12 0.00 0.02 0.00 0.00 57.03 56.80 3b8h h ASP 629 Cb 0.39 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3b8h h ASP 629 CO 0.01 0.50 0.49 0.00 -1.72 0.00 0.00 179.24 178.53 3b8h h ALA 630 N 0.38 1.92 0.00 3.45 0.00 -1.14 0.27 119.26 124.14 3b8h h ALA 630 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3b8h h ALA 630 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3b8h h ALA 630 CO 0.01 -0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.70 3b8h n ARG 631 N -4.50 0.20 -1.06 0.00 1.74 -0.74 -3.25 116.66 109.06 3b8h n ARG 631 Ca 0.13 0.32 -0.10 0.00 -0.77 0.00 0.00 57.85 57.44 3b8h n ARG 631 Cb 0.41 -1.82 0.28 0.00 -1.02 0.00 0.00 32.46 30.30 3b8h n ARG 631 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3b8h n LYS 632 N -2.19 3.33 -2.25 5.56 4.01 0.94 -4.97 118.16 122.60 3b8h n LYS 632 Ca 0.04 -3.08 -0.42 0.00 -0.51 0.00 0.00 58.31 54.34 3b8h n LYS 632 Cb 0.30 -2.19 -0.03 0.00 -0.51 0.00 0.00 35.03 32.60 3b8h n LYS 632 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3b8h s ILE 633 N -3.07 3.63 -0.12 -0.18 1.01 -1.20 -1.50 121.20 119.77 3b8h s ILE 633 Ca 0.55 1.13 0.13 0.00 0.00 0.00 0.00 60.65 62.46 3b8h s ILE 633 Cb 0.45 -3.72 -0.24 0.00 0.01 0.00 0.00 42.46 38.96 3b8h s ILE 633 CO 0.12 0.05 0.37 0.79 0.00 0.00 0.00 174.94 176.28 3b8h n TRP 634 N 4.47 0.57 -3.61 3.97 7.02 0.03 -4.95 117.44 124.93 3b8h n TRP 634 Ca 0.11 0.20 -0.01 0.00 -1.02 0.00 0.00 57.50 56.78 3b8h n TRP 634 Cb 0.44 -1.10 -0.01 0.00 -2.42 0.00 0.00 31.31 28.21 3b8h n TRP 634 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3b8h s PHE 636 N -2.24 2.95 -0.07 0.00 0.08 -1.26 -2.81 117.98 114.63 3b8h s PHE 636 Ca 0.12 -0.29 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 3b8h s PHE 636 Cb 0.02 -1.87 0.08 0.00 -0.57 0.00 0.00 43.02 40.69 3b8h s PHE 636 CO -0.04 0.12 0.75 0.20 -0.10 0.00 0.00 175.22 176.15 3b8h s GLY 637 N -4.05 -0.51 0.49 4.36 0.00 -0.83 -3.67 107.32 103.11 3b8h s GLY 637 Ca 0.42 1.45 -0.06 0.00 0.00 0.00 0.00 44.72 46.53 3b8h s GLY 637 CO 0.28 0.94 0.66 -1.05 0.00 0.00 0.00 173.10 173.93 3b8h n PRO 638 N 0.80 -0.39 -1.42 2.90 -0.02 -1.26 -2.74 135.00 132.87 3b8h n PRO 638 Ca -0.17 -1.25 -0.15 0.00 -2.02 0.00 0.00 63.50 59.91 3b8h n PRO 638 Cb 0.58 -0.61 -0.06 0.00 -0.02 0.00 0.00 33.50 33.38 3b8h n PRO 638 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3b8h n ASP 639 N -3.29 -5.00 -1.15 2.55 8.00 -1.26 -1.63 116.55 114.77 3b8h n ASP 639 Ca 0.09 0.37 -0.13 0.00 0.71 0.00 0.00 54.79 55.84 3b8h n ASP 639 Cb 0.32 -4.16 -0.04 0.00 -0.02 0.00 0.00 41.12 37.22 3b8h n ASP 639 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b8h n GLY 640 N -0.11 0.83 0.05 0.44 0.00 -1.24 -4.77 105.19 100.38 3b8h n GLY 640 Ca -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3b8h n GLY 640 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3b8h n ASN 641 N -0.20 0.00 -4.88 1.61 0.23 -0.77 -4.48 115.26 106.77 3b8h n ASN 641 Ca -0.14 -0.85 -0.29 0.00 -0.53 0.00 0.00 54.58 52.77 3b8h n ASN 641 Cb 0.49 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.28 3b8h n ASN 641 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3b8h s GLY 642 N 0.00 1.59 -0.20 4.83 0.00 -0.65 -4.80 107.32 108.10 3b8h s GLY 642 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 44.72 44.10 3b8h s GLY 642 CO 0.00 -0.10 2.67 -1.55 0.00 0.00 0.00 173.10 174.12 3b8h n PRO 643 N -3.33 1.63 -3.88 2.90 -0.04 -1.21 -3.26 135.00 127.81 3b8h n PRO 643 Ca 0.08 -0.88 -0.11 0.00 -0.04 0.00 0.00 63.50 62.54 3b8h n PRO 643 Cb 0.60 -1.98 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 3b8h n PRO 643 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3b8h s ASN 644 N 2.41 0.00 0.03 3.54 0.01 -1.11 -0.52 114.94 119.30 3b8h s ASN 644 Ca 0.48 -0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.58 3b8h s ASN 644 Cb 0.21 0.19 -0.02 0.00 0.41 0.00 0.00 41.25 42.04 3b8h s ASN 644 CO -0.01 -0.20 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.56 3b8h s LEU 645 N -0.72 2.18 -0.14 0.60 1.43 -0.54 -1.97 118.68 119.54 3b8h s LEU 645 Ca -0.08 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3b8h s LEU 645 Cb -0.05 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.98 3b8h s LEU 645 CO 0.00 -0.13 -0.10 -0.69 0.23 0.00 0.00 176.35 175.66 3b8h s VAL 646 N -1.00 3.31 -0.15 -1.59 1.01 -1.12 -0.44 120.40 120.42 3b8h s VAL 646 Ca -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3b8h s VAL 646 Cb -0.08 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3b8h s VAL 646 CO 0.00 0.52 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 3b8h s ILE 647 N 0.32 2.35 -0.57 2.22 -1.09 0.77 -0.79 121.20 124.41 3b8h s ILE 647 Ca -0.08 -0.88 -0.28 0.00 -2.23 0.00 0.00 60.65 57.18 3b8h s ILE 647 Cb -0.15 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3b8h s ILE 647 CO 0.05 0.53 1.30 -0.62 -1.23 0.00 0.00 174.94 174.97 3b8h s ASP 648 N 0.84 6.29 -0.15 3.58 2.15 -0.56 -1.44 116.67 127.37 3b8h s ASP 648 Ca -0.06 0.18 0.16 0.00 0.43 0.00 0.00 52.55 53.27 3b8h s ASP 648 Cb -0.15 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.36 3b8h s ASP 648 CO -0.01 -1.60 1.34 0.00 -0.17 0.00 0.00 175.17 174.72 3b8h n GLN 649 N 8.58 2.55 -2.09 4.34 6.02 -0.39 -4.88 117.38 131.50 3b8h n GLN 649 Ca 0.10 -2.70 -0.32 0.00 -0.01 0.00 0.00 57.00 54.07 3b8h n GLN 649 Cb 0.49 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3b8h n GLN 649 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3b8h s THR 650 N -2.68 4.05 -0.22 5.09 -4.23 -1.05 -4.71 115.64 111.89 3b8h s THR 650 Ca 0.38 0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 61.80 3b8h s THR 650 Cb 0.30 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.67 3b8h s THR 650 CO 0.08 -0.61 -0.09 -0.54 -0.54 0.00 0.00 174.62 172.92 3b8h s LYS 651 N -4.20 3.13 -0.91 3.99 3.01 -1.26 -4.87 119.74 118.64 3b8h s LYS 651 Ca 0.62 -0.77 -0.08 0.00 -1.01 0.00 0.00 55.97 54.73 3b8h s LYS 651 Cb -0.14 -2.88 0.00 0.00 -1.01 0.00 0.00 37.83 33.81 3b8h s LYS 651 CO 0.38 -0.25 0.66 0.00 0.51 0.00 0.00 175.35 176.65 3b8h n ALA 652 N 4.71 -2.69 -3.17 5.17 0.00 -1.26 -4.96 120.51 118.32 3b8h n ALA 652 Ca -0.19 -0.26 -0.38 0.00 0.00 0.00 0.00 53.44 52.62 3b8h n ALA 652 Cb 0.50 -1.66 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 3b8h n ALA 652 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3b8h s VAL 653 N -3.14 3.93 0.47 0.00 1.01 -1.26 -5.09 120.40 116.32 3b8h s VAL 653 Ca 0.14 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 3b8h s VAL 653 Cb -0.06 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 3b8h s VAL 653 CO 0.87 -0.21 1.26 -1.58 0.00 0.00 0.00 175.10 175.44 3b8h s GLN 654 N 1.43 3.65 0.00 2.72 0.74 -1.26 -2.48 119.66 124.45 3b8h s GLN 654 Ca -0.01 2.00 0.00 0.00 0.05 0.00 0.00 55.36 57.41 3b8h s GLN 654 Cb -0.20 -2.47 0.00 0.00 1.10 0.00 0.00 33.01 31.45 3b8h s GLN 654 CO 0.03 -0.71 0.00 0.66 -0.55 0.00 0.00 175.29 174.73 3b8h n TYR 655 N -0.46 0.00 -0.14 1.67 4.01 -1.26 -4.88 117.16 116.11 3b8h n TYR 655 Ca 0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.77 3b8h n TYR 655 Cb 0.46 -1.13 0.04 0.00 -0.31 0.00 0.00 39.34 38.40 3b8h n TYR 655 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3b8h h LEU 656 N 0.00 -0.04 -2.49 7.72 5.85 -1.92 0.30 115.31 124.73 3b8h h LEU 656 Ca 0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3b8h h LEU 656 Cb 0.44 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3b8h h LEU 656 CO 0.00 0.01 0.14 1.12 -0.34 0.00 0.00 178.44 179.37 3b8h h HIS 657 N 0.19 0.00 0.00 1.25 2.07 -1.90 -1.87 115.15 114.90 3b8h h HIS 657 Ca 0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 3b8h h HIS 657 Cb 0.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.26 3b8h h HIS 657 CO -0.23 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 175.56 3b8h h GLU 658 N 0.00 0.00 -0.27 5.12 5.08 -1.32 -2.98 114.58 120.21 3b8h h GLU 658 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3b8h h GLU 658 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3b8h h GLU 658 CO -0.00 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.45 3b8h n ILE 659 N -2.58 0.91 -0.09 3.13 -5.35 -0.71 -4.72 119.36 109.95 3b8h n ILE 659 Ca 0.04 -0.95 -0.09 0.00 -0.27 0.00 0.00 62.75 61.47 3b8h n ILE 659 Cb 0.38 0.57 -0.02 0.00 -1.74 0.00 0.00 39.64 38.83 3b8h n ILE 659 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3b8h h LYS 660 N 1.73 0.41 -0.59 6.28 3.64 -1.52 -1.40 116.57 125.12 3b8h h LYS 660 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3b8h h LYS 660 Cb 0.67 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 3b8h h LYS 660 CO 0.00 0.30 0.25 -0.44 -2.27 0.00 0.00 179.45 177.29 3b8h h ASP 661 N 0.41 0.77 -0.56 4.20 3.32 -1.84 0.30 116.42 123.01 3b8h h ASP 661 Ca 0.11 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 3b8h h ASP 661 Cb -0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3b8h h ASP 661 CO -0.02 0.68 -0.06 0.28 -1.72 0.00 0.00 179.24 178.40 3b8h h SER 662 N 0.84 1.03 -0.32 6.45 0.02 -1.82 -0.35 113.55 119.39 3b8h h SER 662 Ca 0.20 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 3b8h h SER 662 Cb 0.14 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3b8h h SER 662 CO -0.02 1.12 0.06 0.58 -1.14 0.00 0.00 176.83 177.42 3b8h h VAL 663 N 0.92 1.23 -0.36 2.27 2.07 -0.54 -0.80 116.25 121.04 3b8h h VAL 663 Ca 0.15 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3b8h h VAL 663 Cb 0.63 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3b8h h VAL 663 CO 0.04 0.26 0.07 0.58 0.02 0.00 0.00 177.57 178.55 3b8h h VAL 664 N 0.35 1.23 -0.56 2.57 2.07 -0.91 -1.49 116.25 119.51 3b8h h VAL 664 Ca 0.10 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3b8h h VAL 664 Cb 0.33 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3b8h h VAL 664 CO 0.00 0.27 0.29 0.00 0.02 0.00 0.00 177.57 178.16 3b8h h ALA 665 N 0.92 0.72 -0.84 1.67 0.00 -0.97 -1.27 119.26 119.49 3b8h h ALA 665 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3b8h h ALA 665 Cb 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3b8h h ALA 665 CO 0.00 -0.05 0.52 0.00 0.00 0.00 0.00 179.25 179.72 3b8h h ALA 666 N 1.30 1.34 -0.17 0.00 0.00 -0.91 -2.57 119.26 118.24 3b8h h ALA 666 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3b8h h ALA 666 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3b8h h ALA 666 CO -0.17 0.58 0.06 0.35 0.00 0.00 0.00 179.25 180.08 3b8h h PHE 667 N 1.15 0.27 -1.00 0.00 3.57 -0.22 -0.14 116.94 120.57 3b8h h PHE 667 Ca 0.30 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.93 3b8h h PHE 667 Cb -0.07 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.50 3b8h h PHE 667 CO 0.00 0.34 0.62 1.96 -2.23 0.00 0.00 178.31 179.00 3b8h h GLN 668 N 0.12 0.87 -0.28 1.11 1.08 -1.02 0.77 115.11 117.75 3b8h h GLN 668 Ca 0.06 -0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 3b8h h GLN 668 Cb 0.19 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3b8h h GLN 668 CO -0.00 0.57 -0.45 2.35 -0.95 0.00 0.00 178.83 180.35 3b8h h TRP 669 N 0.89 1.00 -0.02 2.96 7.01 -1.05 -2.35 115.95 124.38 3b8h h TRP 669 Ca 0.53 -0.34 -0.22 0.00 2.11 0.00 0.00 58.89 60.97 3b8h h TRP 669 Cb 0.66 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 3b8h h TRP 669 CO -0.01 1.15 -0.90 0.00 -2.79 0.00 0.00 178.44 175.89 3b8h h ALA 670 N 0.68 0.40 0.00 2.65 0.00 -0.10 -3.12 119.26 119.76 3b8h h ALA 670 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3b8h h ALA 670 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3b8h h ALA 670 CO 0.10 0.80 -0.04 1.79 0.00 0.00 0.00 179.25 181.90 3b8h h THR 671 N 0.26 0.00 -0.42 0.00 1.35 -0.96 -3.23 112.91 109.91 3b8h h THR 671 Ca -0.07 -0.82 -0.15 0.00 -0.55 0.00 0.00 66.41 64.82 3b8h h THR 671 Cb 1.52 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.73 3b8h h THR 671 CO 0.16 0.00 -0.31 0.50 -0.25 0.00 0.00 175.52 175.62 3b8h h LYS 672 N 0.00 0.95 -2.60 4.72 1.63 -1.36 -0.16 116.57 119.75 3b8h h LYS 672 Ca 0.00 -0.45 -0.43 0.00 -0.85 0.00 0.00 60.65 58.91 3b8h h LYS 672 Cb 0.91 -0.01 -0.38 0.00 -0.60 0.00 0.00 32.23 32.16 3b8h h LYS 672 CO 0.00 1.12 -0.71 -1.21 -3.45 0.00 0.00 179.45 175.19 3b8h s GLU 673 N -4.51 0.21 1.04 1.90 2.02 -1.19 -3.45 118.70 114.71 3b8h s GLU 673 Ca -0.11 -0.26 -0.12 0.00 0.02 0.00 0.00 54.97 54.50 3b8h s GLU 673 Cb 0.12 -1.10 0.21 0.00 0.10 0.00 0.00 34.13 33.45 3b8h s GLU 673 CO 0.87 -0.93 1.08 0.20 0.02 0.00 0.00 175.26 176.50 3b8h s GLY 674 N 2.21 1.56 0.46 -1.39 0.00 0.51 -4.73 107.32 105.95 3b8h s GLY 674 Ca 0.08 -0.28 0.26 0.00 0.00 0.00 0.00 44.72 44.78 3b8h s GLY 674 CO -0.29 0.35 1.75 -0.56 0.00 0.00 0.00 173.10 174.35 3b8h h PRO 675 N -2.07 0.00 0.24 2.90 0.13 -1.88 -1.56 132.00 129.76 3b8h h PRO 675 Ca -0.56 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 3b8h h PRO 675 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3b8h h PRO 675 CO 0.55 0.08 -0.11 0.82 -0.23 0.00 0.00 178.00 179.11 3b8h h ILE 676 N 0.00 0.82 0.00 -3.56 2.04 -1.93 -3.43 117.51 111.45 3b8h h ILE 676 Ca -0.00 -0.48 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 3b8h h ILE 676 Cb 0.84 1.10 -0.11 0.00 -0.74 0.00 0.00 36.82 37.91 3b8h h ILE 676 CO 0.01 0.10 -0.23 2.22 0.00 0.00 0.00 178.15 180.26 3b8h n PHE 677 N -5.12 -0.66 -0.98 1.37 -0.00 -1.25 -4.84 117.46 105.98 3b8h n PHE 677 Ca -0.09 -0.79 0.00 0.00 -0.00 0.00 0.00 57.45 56.57 3b8h n PHE 677 Cb 0.22 0.81 0.00 0.00 -0.00 0.00 0.00 39.48 40.52 3b8h n PHE 677 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3b8h n GLY 678 N -0.49 0.85 3.86 4.97 0.00 -0.59 -4.91 105.19 108.88 3b8h n GLY 678 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3b8h n GLY 678 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b8h s GLU 679 N -0.02 3.77 0.55 1.61 0.41 -1.26 -4.16 118.70 119.61 3b8h s GLU 679 Ca 0.00 0.70 -0.22 0.00 -0.41 0.00 0.00 54.97 55.05 3b8h s GLU 679 Cb 0.00 -2.21 -0.05 0.00 -1.78 0.00 0.00 34.13 30.09 3b8h s GLU 679 CO 0.00 -0.28 1.37 -1.21 -0.49 0.00 0.00 175.26 174.65 3b8h s GLU 680 N -4.37 3.12 0.38 1.61 2.02 -1.22 -0.36 118.70 119.87 3b8h s GLU 680 Ca 0.55 2.27 -0.19 0.00 0.02 0.00 0.00 54.97 57.63 3b8h s GLU 680 Cb -0.10 -2.26 -0.10 0.00 0.10 0.00 0.00 34.13 31.77 3b8h s GLU 680 CO 0.39 -1.22 0.86 -1.64 0.02 0.00 0.00 175.26 173.67 3b8h s MET 681 N -2.91 4.15 -0.03 1.61 -1.94 -0.07 0.30 119.30 120.40 3b8h s MET 681 Ca 0.72 0.94 -0.03 0.00 -1.71 0.00 0.00 55.69 55.62 3b8h s MET 681 Cb -0.41 -2.30 0.01 0.00 2.01 0.00 0.00 34.83 34.13 3b8h s MET 681 CO 0.49 0.06 0.08 0.50 -0.01 0.00 0.00 175.02 176.14 3b8h s ARG 682 N -3.06 0.09 -1.37 2.03 3.52 0.03 -4.79 118.95 115.39 3b8h s ARG 682 Ca 0.58 0.13 -0.08 0.00 -0.13 0.00 0.00 55.73 56.23 3b8h s ARG 682 Cb -0.10 0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.32 3b8h s ARG 682 CO 0.15 -0.03 1.03 0.43 -0.81 0.00 0.00 175.30 176.08 3b8h n SER 683 N 3.14 -6.24 -4.38 -2.12 7.64 0.32 -4.37 113.62 107.61 3b8h n SER 683 Ca -0.14 -0.47 -0.35 0.00 1.01 0.00 0.00 58.87 58.92 3b8h n SER 683 Cb 0.59 -4.91 -0.13 0.00 -1.01 0.00 0.00 64.21 58.75 3b8h n SER 683 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3b8h s VAL 684 N -3.28 3.71 -0.15 0.44 1.01 -1.23 -0.70 120.40 120.20 3b8h s VAL 684 Ca 0.51 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 3b8h s VAL 684 Cb -0.23 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3b8h s VAL 684 CO 0.63 0.42 -0.04 -0.60 0.00 0.00 0.00 175.10 175.51 3b8h s ARG 685 N 1.26 3.65 -0.13 2.72 3.52 -0.02 -1.46 118.95 128.49 3b8h s ARG 685 Ca 0.03 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3b8h s ARG 685 Cb -0.15 -2.89 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 3b8h s ARG 685 CO 0.00 0.24 -0.14 0.08 -0.81 0.00 0.00 175.30 174.68 3b8h s VAL 686 N 0.35 3.00 -0.34 7.11 1.01 0.41 -0.38 120.40 131.56 3b8h s VAL 686 Ca -0.05 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3b8h s VAL 686 Cb -0.14 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.04 3b8h s VAL 686 CO 0.03 0.53 0.10 0.20 0.00 0.00 0.00 175.10 175.95 3b8h s ASN 687 N 0.35 5.21 -0.44 3.32 0.01 0.73 -0.16 114.94 123.96 3b8h s ASN 687 Ca -0.11 -1.31 -0.28 0.00 -0.71 0.00 0.00 52.86 50.44 3b8h s ASN 687 Cb -0.16 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.68 3b8h s ASN 687 CO 0.06 -0.35 1.46 -0.63 -1.51 0.00 0.00 177.10 176.13 3b8h s ILE 688 N 1.33 3.83 -0.01 0.60 1.01 -0.52 -1.77 121.20 125.67 3b8h s ILE 688 Ca -0.01 0.81 -0.02 0.00 0.00 0.00 0.00 60.65 61.43 3b8h s ILE 688 Cb -0.20 -4.19 -0.27 0.00 0.01 0.00 0.00 42.46 37.81 3b8h s ILE 688 CO 0.01 -0.81 0.81 -0.07 0.00 0.00 0.00 174.94 174.89 3b8h h LEU 689 N 12.63 0.35 -7.00 2.97 3.38 -1.33 -0.97 115.31 125.35 3b8h h LEU 689 Ca -0.28 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.17 3b8h h LEU 689 Cb 1.11 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.58 3b8h h LEU 689 CO 1.10 1.43 0.29 -0.62 0.09 0.00 0.00 178.44 180.73 3b8h s ASP 690 N -6.90 -0.55 -0.12 -0.43 2.15 -1.17 -4.08 116.67 105.58 3b8h s ASP 690 Ca -0.09 0.31 -0.07 0.00 0.43 0.00 0.00 52.55 53.13 3b8h s ASP 690 Cb 0.07 0.51 0.04 0.00 -0.30 0.00 0.00 42.92 43.24 3b8h s ASP 690 CO 0.84 -0.71 0.28 -0.69 -0.17 0.00 0.00 175.17 174.72 3b8h s VAL 691 N -2.40 -0.03 -0.09 1.11 1.01 -1.26 -0.71 120.40 118.03 3b8h s VAL 691 Ca -0.03 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3b8h s VAL 691 Cb -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3b8h s VAL 691 CO -0.02 0.04 -0.11 0.42 0.00 0.00 0.00 175.10 175.44 3b8h s THR 692 N 1.06 3.32 0.03 3.92 -4.23 -0.79 -4.93 115.64 114.02 3b8h s THR 692 Ca -0.07 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 3b8h s THR 692 Cb -0.08 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 3b8h s THR 692 CO -0.07 0.56 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.69 3b8h s LEU 693 N -0.27 2.14 0.47 4.79 1.43 -1.26 -1.02 118.68 124.96 3b8h s LEU 693 Ca 0.03 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 3b8h s LEU 693 Cb -0.13 -0.50 -0.07 0.00 0.03 0.00 0.00 46.19 45.52 3b8h s LEU 693 CO 0.03 0.02 1.29 -2.28 0.23 0.00 0.00 176.35 175.64 3b8h s HIS 694 N -0.73 2.63 0.39 0.29 5.65 -1.20 -4.92 115.29 117.40 3b8h s HIS 694 Ca 0.00 1.42 0.08 0.00 0.25 0.00 0.00 55.06 56.82 3b8h s HIS 694 Cb -0.07 -3.65 0.81 0.00 -1.18 0.00 0.00 32.58 28.49 3b8h s HIS 694 CO 0.01 -2.26 1.97 0.00 -0.65 0.00 0.00 174.74 173.81 3b8h h ALA 695 N 2.05 1.59 -2.94 1.58 0.00 -2.00 -3.43 119.26 116.11 3b8h h ALA 695 Ca -0.50 -0.13 -0.62 0.00 0.00 0.00 0.00 54.91 53.67 3b8h h ALA 695 Cb 1.27 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 3b8h h ALA 695 CO 0.60 0.31 -0.38 -0.51 0.00 0.00 0.00 179.25 179.27 3b8h s ASP 696 N -6.80 6.44 0.36 0.00 1.01 -1.26 -5.00 116.67 111.42 3b8h s ASP 696 Ca -0.07 0.52 0.06 0.00 0.71 0.00 0.00 52.55 53.77 3b8h s ASP 696 Cb 0.16 -2.15 0.69 0.00 1.01 0.00 0.00 42.92 42.64 3b8h s ASP 696 CO 0.73 0.24 1.93 0.00 0.21 0.00 0.00 175.17 178.28 3b8h h ALA 697 N 5.89 1.48 0.00 5.23 0.00 -2.03 -3.32 119.26 126.51 3b8h h ALA 697 Ca -0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3b8h h ALA 697 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3b8h h ALA 697 CO 0.69 0.38 0.00 0.44 0.00 0.00 0.00 179.25 180.76 3b8h n ILE 698 N -4.34 0.29 0.00 0.00 -5.35 -1.26 -3.25 119.36 105.46 3b8h n ILE 698 Ca 0.02 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3b8h n ILE 698 Cb 0.19 -1.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.07 3b8h n ILE 698 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3b8h n ARG 700 N 1.82 0.00 -2.21 6.28 1.85 -1.25 -5.10 116.66 118.04 3b8h n ARG 700 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.58 3b8h n ARG 700 Cb 0.08 0.00 0.16 0.00 -1.05 0.00 0.00 32.46 31.65 3b8h n ARG 700 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3b8h s GLY 701 N 0.00 1.78 0.38 2.89 0.00 -1.20 -4.72 107.32 106.45 3b8h s GLY 701 Ca 0.00 -1.48 0.14 0.00 0.00 0.00 0.00 44.72 43.38 3b8h s GLY 701 CO 0.00 -0.76 1.82 -1.33 0.00 0.00 0.00 173.10 172.82 3b8h h GLY 702 N -1.22 1.21 2.00 0.20 0.00 -1.98 0.73 103.07 104.00 3b8h h GLY 702 Ca -0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 3b8h h GLY 702 CO 0.37 -0.04 -0.15 -1.33 0.00 0.00 0.00 176.54 175.39 3b8h h GLY 703 N 0.53 0.00 0.37 4.60 0.00 -2.00 -1.86 103.07 104.70 3b8h h GLY 703 Ca 0.52 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.50 3b8h h GLY 703 CO -0.26 0.00 -1.96 -1.06 0.00 0.00 0.00 176.54 173.26 3b8h n GLN 704 N -4.10 0.70 0.03 4.80 1.13 0.16 -4.50 117.38 115.59 3b8h n GLN 704 Ca -0.02 0.31 -0.19 0.00 -1.94 0.00 0.00 57.00 55.15 3b8h n GLN 704 Cb 0.23 -1.68 -0.14 0.00 0.11 0.00 0.00 30.24 28.76 3b8h n GLN 704 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3b8h h ILE 705 N -0.20 1.57 -0.05 5.09 1.08 -1.30 -3.31 117.51 120.39 3b8h h ILE 705 Ca -0.45 -2.51 0.04 0.00 -0.39 0.00 0.00 64.86 61.55 3b8h h ILE 705 Cb 1.85 3.24 -0.05 0.00 -3.07 0.00 0.00 36.82 38.80 3b8h h ILE 705 CO -0.02 0.70 -0.26 0.40 -0.69 0.00 0.00 178.15 178.28 3b8h h ILE 706 N -0.49 0.40 -0.45 -0.67 2.04 -1.55 -0.30 117.51 116.49 3b8h h ILE 706 Ca -0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3b8h h ILE 706 Cb 1.52 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3b8h h ILE 706 CO 0.12 0.00 0.30 -0.65 0.00 0.00 0.00 178.15 177.93 3b8h h PRO 707 N -0.37 0.48 0.07 2.37 0.11 -1.77 -1.04 132.00 131.84 3b8h h PRO 707 Ca 0.08 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 3b8h h PRO 707 Cb 0.48 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3b8h h PRO 707 CO -0.26 0.32 -0.03 1.15 -0.21 0.00 0.00 178.00 178.97 3b8h h THR 708 N 0.50 1.11 -0.54 -1.15 2.02 -1.25 -0.12 112.91 113.48 3b8h h THR 708 Ca 0.18 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 3b8h h THR 708 Cb 0.12 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3b8h h THR 708 CO -0.05 0.15 0.06 -0.03 0.37 0.00 0.00 175.52 176.02 3b8h h MET 709 N -0.35 0.88 -0.47 6.66 1.85 -0.88 -0.41 114.93 122.21 3b8h h MET 709 Ca -0.01 -0.22 -0.11 0.00 -0.61 0.00 0.00 59.70 58.75 3b8h h MET 709 Cb 0.31 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 3b8h h MET 709 CO 0.01 0.84 -0.13 -0.09 -0.40 0.00 0.00 176.91 177.15 3b8h h ARG 710 N 0.83 0.91 -0.15 0.39 1.12 -1.10 0.11 114.38 116.49 3b8h h ARG 710 Ca 0.17 -0.36 -0.17 0.00 -1.11 0.00 0.00 59.98 58.51 3b8h h ARG 710 Cb 0.41 -0.05 0.01 0.00 -0.01 0.00 0.00 29.97 30.33 3b8h h ARG 710 CO 0.01 1.01 -0.57 0.00 -3.11 0.00 0.00 179.97 177.31 3b8h h ARG 711 N 0.75 0.64 -0.82 0.20 3.08 -0.87 -1.89 114.38 115.48 3b8h h ARG 711 Ca 0.12 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 3b8h h ARG 711 Cb 0.68 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 3b8h h ARG 711 CO 0.05 1.12 0.45 0.00 -1.07 0.00 0.00 179.97 180.52 3b8h h ALA 712 N 0.53 1.05 -0.60 0.04 0.00 -1.04 0.11 119.26 119.35 3b8h h ALA 712 Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3b8h h ALA 712 Cb 1.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3b8h h ALA 712 CO 0.12 0.55 0.37 1.15 0.00 0.00 0.00 179.25 181.44 3b8h h THR 713 N 1.13 1.17 -0.22 0.00 2.02 -0.94 0.14 112.91 116.22 3b8h h THR 713 Ca 0.29 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3b8h h THR 713 Cb 0.03 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3b8h h THR 713 CO -0.05 0.17 0.12 1.88 0.37 0.00 0.00 175.52 178.02 3b8h h TYR 714 N 0.81 0.23 -0.44 3.16 0.05 -0.79 -0.14 116.97 119.84 3b8h h TYR 714 Ca 0.21 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.06 3b8h h TYR 714 Cb -0.03 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.59 3b8h h TYR 714 CO -0.02 0.13 0.16 0.00 -1.05 0.00 0.00 178.16 177.38 3b8h h ALA 715 N 1.10 0.52 -0.76 3.88 0.00 -0.38 -1.63 119.26 121.98 3b8h h ALA 715 Ca 0.08 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3b8h h ALA 715 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3b8h h ALA 715 CO -0.04 -0.23 0.30 0.78 0.00 0.00 0.00 179.25 180.06 3b8h h GLY 716 N 0.33 1.23 0.94 0.00 0.00 -0.50 -2.53 103.07 102.54 3b8h h GLY 716 Ca 0.20 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.87 3b8h h GLY 716 CO -0.21 0.63 0.07 -2.75 0.00 0.00 0.00 176.54 174.29 3b8h h PHE 717 N 1.11 0.14 0.00 5.60 3.57 -0.47 -2.72 116.94 124.16 3b8h h PHE 717 Ca 0.25 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3b8h h PHE 717 Cb 0.22 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3b8h h PHE 717 CO 0.02 0.08 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.00 3b8h h LEU 718 N 0.16 0.00 -0.56 0.59 3.38 -1.19 -1.96 115.31 115.73 3b8h h LEU 718 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3b8h h LEU 718 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3b8h h LEU 718 CO -0.04 0.11 -0.06 0.18 0.09 0.00 0.00 178.44 178.72 3b8h n LEU 719 N -3.26 0.93 -1.76 1.67 4.77 -0.97 -4.14 117.00 114.25 3b8h n LEU 719 Ca 0.00 -0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 55.54 3b8h n LEU 719 Cb 0.37 -0.06 0.14 0.00 -2.33 0.00 0.00 43.42 41.54 3b8h n LEU 719 CO 0.30 0.16 0.88 0.00 -1.33 0.00 0.00 177.39 177.40 3b8h n ALA 720 N -0.40 5.13 -3.11 -1.18 0.00 -0.74 -0.15 120.51 120.06 3b8h n ALA 720 Ca 0.18 -3.29 -0.10 0.00 0.00 0.00 0.00 53.44 50.23 3b8h n ALA 720 Cb 0.29 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.73 3b8h n ALA 720 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3b8h n ASP 721 N -1.02 -7.29 -4.77 0.00 2.03 -1.26 -2.51 116.55 101.73 3b8h n ASP 721 Ca 0.46 0.05 -0.40 0.00 0.52 0.00 0.00 54.79 55.43 3b8h n ASP 721 Cb 1.07 -4.56 -0.01 0.00 -0.72 0.00 0.00 41.12 36.90 3b8h n ASP 721 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3b8h s PRO 722 N -3.01 4.04 0.16 -0.67 0.02 -1.26 -1.27 135.00 133.00 3b8h s PRO 722 Ca 0.14 2.16 -0.05 0.00 0.02 0.00 0.00 61.00 63.26 3b8h s PRO 722 Cb -0.03 -2.81 -0.02 0.00 0.02 0.00 0.00 34.50 31.66 3b8h s PRO 722 CO 0.79 -0.43 0.19 0.15 -0.33 0.00 0.00 177.00 177.37 3b8h s LYS 723 N -2.16 1.09 0.16 5.54 3.01 0.14 -4.56 119.74 122.95 3b8h s LYS 723 Ca 0.55 -1.32 0.11 0.00 -1.01 0.00 0.00 55.97 54.30 3b8h s LYS 723 Cb -0.38 0.32 -0.04 0.00 -1.01 0.00 0.00 37.83 36.72 3b8h s LYS 723 CO 0.49 -0.37 -0.23 0.96 0.51 0.00 0.00 175.35 176.71 3b8h s ILE 724 N -4.02 2.43 -0.04 2.17 -4.36 -1.26 -0.63 121.20 115.49 3b8h s ILE 724 Ca 0.22 -1.83 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 3b8h s ILE 724 Cb 0.05 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 3b8h s ILE 724 CO 0.02 -0.01 -0.20 -1.10 0.24 0.00 0.00 174.94 173.90 3b8h s GLN 725 N -2.37 2.39 0.02 0.37 -0.21 0.19 -0.97 119.66 119.08 3b8h s GLN 725 Ca 0.18 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 54.79 3b8h s GLN 725 Cb -0.09 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 3b8h s GLN 725 CO 0.09 0.56 -0.03 -1.83 -2.12 0.00 0.00 175.29 171.96 3b8h s GLU 726 N -0.60 2.63 0.66 2.91 -1.05 0.26 -1.37 118.70 122.15 3b8h s GLU 726 Ca 0.09 -0.71 -0.15 0.00 -0.15 0.00 0.00 54.97 54.06 3b8h s GLU 726 Cb -0.11 -2.56 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 3b8h s GLU 726 CO 0.00 0.60 1.10 -1.25 0.95 0.00 0.00 175.26 176.67 3b8h s PRO 727 N -1.62 2.81 -0.02 -4.83 0.04 -1.26 0.22 135.00 130.33 3b8h s PRO 727 Ca 0.19 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.59 3b8h s PRO 727 Cb -0.11 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.49 3b8h s PRO 727 CO 0.10 -1.24 -0.00 0.08 0.04 0.00 0.00 177.00 175.98 3b8h s VAL 728 N -2.40 0.17 0.36 -0.36 1.01 0.31 -2.71 120.40 116.78 3b8h s VAL 728 Ca 0.66 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 3b8h s VAL 728 Cb -0.20 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 3b8h s VAL 728 CO 0.42 0.12 0.80 -0.36 0.00 0.00 0.00 175.10 176.09 3b8h s PHE 729 N 0.76 3.36 -0.42 5.22 0.08 0.22 -0.43 117.98 126.78 3b8h s PHE 729 Ca -0.08 1.32 -0.06 0.00 0.12 0.00 0.00 56.93 58.24 3b8h s PHE 729 Cb -0.11 -2.62 0.10 0.00 -0.57 0.00 0.00 43.02 39.82 3b8h s PHE 729 CO -0.01 0.01 0.23 -1.17 -0.10 0.00 0.00 175.22 174.18 3b8h s LEU 730 N -3.13 5.22 -0.24 -0.37 0.20 0.16 -0.74 118.68 119.78 3b8h s LEU 730 Ca 0.56 -1.81 -0.11 0.00 0.69 0.00 0.00 54.13 53.46 3b8h s LEU 730 Cb -0.10 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.71 3b8h s LEU 730 CO 0.18 -0.55 0.19 0.54 -0.29 0.00 0.00 176.35 176.41 3b8h s VAL 731 N 1.27 5.33 -0.27 1.68 0.11 -0.16 -1.53 120.40 126.83 3b8h s VAL 731 Ca 0.05 0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 59.28 3b8h s VAL 731 Cb -0.23 -3.53 -0.01 0.00 -1.53 0.00 0.00 36.38 31.08 3b8h s VAL 731 CO -0.02 0.32 0.06 -0.70 -3.33 0.00 0.00 175.10 171.43 3b8h s GLU 732 N 1.20 3.38 -0.17 1.54 2.12 0.27 -1.67 118.70 125.37 3b8h s GLU 732 Ca 0.09 -0.66 0.01 0.00 0.36 0.00 0.00 54.97 54.76 3b8h s GLU 732 Cb -0.14 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 30.97 3b8h s GLU 732 CO 0.06 -0.30 -0.15 0.42 -0.54 0.00 0.00 175.26 174.75 3b8h s ILE 733 N 1.55 1.71 0.08 -3.70 1.01 0.36 -2.56 121.20 119.64 3b8h s ILE 733 Ca 0.05 -0.79 -0.27 0.00 0.00 0.00 0.00 60.65 59.63 3b8h s ILE 733 Cb -0.16 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 3b8h s ILE 733 CO 0.02 0.42 0.86 -1.10 0.00 0.00 0.00 174.94 175.14 3b8h s GLN 734 N 1.42 4.59 -0.28 2.79 1.11 -1.13 -0.80 119.66 127.37 3b8h s GLN 734 Ca 0.04 1.25 -0.20 0.00 0.01 0.00 0.00 55.36 56.46 3b8h s GLN 734 Cb -0.14 -3.37 0.10 0.00 -1.01 0.00 0.00 33.01 28.60 3b8h s GLN 734 CO -0.11 0.25 0.85 0.00 0.01 0.00 0.00 175.29 176.29 3b8h n PRO 736 N 3.25 1.58 -0.04 0.00 -0.02 -1.26 -0.99 135.00 137.53 3b8h n PRO 736 Ca -0.16 0.57 0.24 0.00 -2.02 0.00 0.00 63.50 62.13 3b8h n PRO 736 Cb 0.57 -2.25 0.71 0.00 -0.02 0.00 0.00 33.50 32.51 3b8h n PRO 736 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3b8h h GLU 737 N 1.65 0.00 -0.21 -0.52 4.81 -1.43 0.04 114.58 118.93 3b8h h GLU 737 Ca -0.47 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.60 3b8h h GLU 737 Cb 1.32 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 3b8h h GLU 737 CO 0.57 0.00 -0.54 -0.56 -0.73 0.00 0.00 179.01 177.75 3b8h h GLN 738 N 0.00 0.63 -0.27 1.92 3.07 -1.89 -3.25 115.11 115.32 3b8h h GLN 738 Ca 0.31 -0.39 0.00 0.00 0.09 0.00 0.00 58.65 58.66 3b8h h GLN 738 Cb 1.47 0.04 0.00 0.00 0.08 0.00 0.00 27.48 29.08 3b8h h GLN 738 CO -0.00 1.01 0.00 0.00 0.09 0.00 0.00 178.83 179.92 3b8h n ALA 739 N -2.53 2.43 0.15 0.06 0.00 -0.06 -4.37 120.51 116.18 3b8h n ALA 739 Ca -0.03 -0.89 0.05 0.00 0.00 0.00 0.00 53.44 52.56 3b8h n ALA 739 Cb 0.61 -0.80 0.50 0.00 0.00 0.00 0.00 19.45 19.75 3b8h n ALA 739 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3b8h h VAL 740 N 4.32 1.10 0.00 0.00 2.07 -1.42 -1.50 116.25 120.81 3b8h h VAL 740 Ca 0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3b8h h VAL 740 Cb 0.95 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3b8h h VAL 740 CO 0.00 0.12 -0.07 1.23 0.02 0.00 0.00 177.57 178.87 3b8h h GLY 741 N 0.43 0.00 2.00 2.17 0.00 -1.80 -1.69 103.07 104.18 3b8h h GLY 741 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 3b8h h GLY 741 CO 0.00 0.00 -0.31 -1.33 0.00 0.00 0.00 176.54 174.90 3b8h h GLY 742 N 0.40 0.00 0.49 4.60 0.00 -1.45 -2.58 103.07 104.54 3b8h h GLY 742 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3b8h h GLY 742 CO 0.01 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.29 3b8h h ILE 743 N 0.00 1.16 0.00 2.60 2.04 -1.36 -3.06 117.51 118.89 3b8h h ILE 743 Ca -0.00 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 3b8h h ILE 743 Cb 0.95 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3b8h h ILE 743 CO 0.04 0.26 -0.00 1.88 0.00 0.00 0.00 178.15 180.32 3b8h h TYR 744 N -0.63 0.00 -0.46 1.37 0.05 -1.57 -2.18 116.97 113.55 3b8h h TYR 744 Ca -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 3b8h h TYR 744 Cb 0.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 3b8h h TYR 744 CO 0.09 0.00 0.14 1.03 -1.05 0.00 0.00 178.16 178.37 3b8h h SER 745 N 0.00 0.67 0.19 3.88 0.87 -1.35 -3.06 113.55 114.75 3b8h h SER 745 Ca -0.00 -0.21 -0.26 0.00 -1.23 0.00 0.00 61.79 60.09 3b8h h SER 745 Cb 0.22 -0.17 0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3b8h h SER 745 CO 0.00 0.70 -1.16 0.58 -0.53 0.00 0.00 176.83 176.42 3b8h h VAL 746 N 0.60 1.37 0.00 2.23 2.07 -1.37 -3.31 116.25 117.84 3b8h h VAL 746 Ca 0.15 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3b8h h VAL 746 Cb 0.27 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3b8h h VAL 746 CO -0.00 0.76 0.01 -0.07 0.02 0.00 0.00 177.57 178.29 3b8h h LEU 747 N -0.13 0.00 -0.50 2.57 3.38 -1.49 -0.55 115.31 118.58 3b8h h LEU 747 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3b8h h LEU 747 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 3b8h h LEU 747 CO 0.20 0.00 -0.21 0.59 0.09 0.00 0.00 178.44 179.11 3b8h n ASN 748 N -2.99 0.99 -0.02 -0.43 3.02 -1.16 0.30 115.26 114.97 3b8h n ASN 748 Ca -0.03 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3b8h n ASN 748 Cb 0.08 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3b8h n ASN 748 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3b8h n LYS 749 N -0.62 1.55 -0.06 3.52 2.85 -0.25 -4.59 118.16 120.56 3b8h n LYS 749 Ca 0.13 -1.16 0.05 0.00 -1.05 0.00 0.00 58.31 56.29 3b8h n LYS 749 Cb 0.34 -1.01 0.08 0.00 -0.65 0.00 0.00 35.03 33.78 3b8h n LYS 749 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3b8h n LYS 750 N -0.28 1.81 -3.56 -1.58 4.01 -0.98 -4.98 118.16 112.60 3b8h n LYS 750 Ca 0.00 -2.03 -0.21 0.00 -0.51 0.00 0.00 58.31 55.57 3b8h n LYS 750 Cb 0.17 -1.23 0.07 0.00 -0.51 0.00 0.00 35.03 33.53 3b8h n LYS 750 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3b8h n ARG 751 N -0.97 -6.61 -3.38 1.97 1.74 -1.24 -4.49 116.66 103.69 3b8h n ARG 751 Ca 0.09 0.79 -0.31 0.00 -0.77 0.00 0.00 57.85 57.64 3b8h n ARG 751 Cb 0.49 -5.73 -0.05 0.00 -1.02 0.00 0.00 32.46 26.16 3b8h n ARG 751 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3b8h s GLY 752 N -4.01 2.21 -0.14 -0.13 0.00 0.15 -4.50 107.32 100.90 3b8h s GLY 752 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 3b8h s GLY 752 CO 0.75 -0.16 -0.01 1.62 0.00 0.00 0.00 173.10 175.29 3b8h s GLN 753 N -2.96 0.99 -0.05 2.90 0.74 -0.84 -4.79 119.66 115.66 3b8h s GLN 753 Ca 0.47 -0.29 -0.30 0.00 0.05 0.00 0.00 55.36 55.29 3b8h s GLN 753 Cb -0.11 -1.71 -0.04 0.00 1.10 0.00 0.00 33.01 32.25 3b8h s GLN 753 CO 0.23 -0.44 1.34 0.08 -0.55 0.00 0.00 175.29 175.94 3b8h s VAL 754 N 1.80 3.95 -0.11 1.34 1.01 -1.26 0.05 120.40 127.18 3b8h s VAL 754 Ca 0.02 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 3b8h s VAL 754 Cb -0.15 -3.82 -0.27 0.00 0.00 0.00 0.00 36.38 32.14 3b8h s VAL 754 CO -0.07 -0.03 0.54 0.58 0.00 0.00 0.00 175.10 176.13 3b8h h VAL 755 N 5.08 1.03 -1.93 2.92 2.07 -0.81 -3.48 116.25 121.13 3b8h h VAL 755 Ca -0.35 -2.39 0.04 0.00 0.82 0.00 0.00 66.70 64.82 3b8h h VAL 755 Cb 1.16 2.70 -0.20 0.00 -1.52 0.00 0.00 31.29 33.44 3b8h h VAL 755 CO 0.91 0.69 0.41 -0.94 0.02 0.00 0.00 177.57 178.66 3b8h s SER 756 N -7.01 -0.47 -0.41 0.57 1.04 -0.98 -5.02 113.70 101.43 3b8h s SER 756 Ca -0.20 0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.64 3b8h s SER 756 Cb 0.04 0.41 0.15 0.00 0.10 0.00 0.00 66.02 66.72 3b8h s SER 756 CO 0.76 -0.52 0.28 -0.70 0.98 0.00 0.00 173.24 174.03 3b8h s GLU 757 N -1.70 0.91 0.00 4.02 2.12 -1.26 -1.56 118.70 121.23 3b8h s GLU 757 Ca -0.03 -1.83 0.00 0.00 0.36 0.00 0.00 54.97 53.47 3b8h s GLU 757 Cb -0.00 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 32.74 3b8h s GLU 757 CO 0.01 -1.27 0.00 0.39 -0.54 0.00 0.00 175.26 173.85 3b8h n GLU 758 N 3.42 1.66 0.00 4.30 -0.58 -1.03 -4.95 120.64 123.46 3b8h n GLU 758 Ca 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 3b8h n GLU 758 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 3b8h n GLU 758 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3b8h n GLN 759 N -0.62 0.00 -3.74 3.49 7.27 -1.26 -2.14 117.38 120.37 3b8h n GLN 759 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 3b8h n GLN 759 Cb 0.00 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.53 3b8h n GLN 759 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3b8h s ARG 760 N 3.41 0.30 0.22 3.69 3.52 -1.22 -4.69 118.95 124.18 3b8h s ARG 760 Ca 0.00 0.52 -0.08 0.00 -0.13 0.00 0.00 55.73 56.04 3b8h s ARG 760 Cb 0.00 0.02 0.34 0.00 -1.56 0.00 0.00 34.95 33.76 3b8h s ARG 760 CO 0.00 -0.11 1.28 -2.30 -0.81 0.00 0.00 175.30 173.36 3b8h n PRO 761 N 3.66 -0.10 -0.05 5.12 -0.02 -1.26 -3.70 135.00 138.64 3b8h n PRO 761 Ca -0.19 1.28 -0.11 0.00 -2.02 0.00 0.00 63.50 62.46 3b8h n PRO 761 Cb 0.56 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 3b8h n PRO 761 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b8h n GLY 762 N -1.49 -0.27 3.71 -1.23 0.00 -1.26 -5.05 105.19 99.60 3b8h n GLY 762 Ca 0.12 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3b8h n GLY 762 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b8h s THR 763 N -2.37 2.17 -1.25 2.61 -4.23 -1.24 -4.89 115.64 106.45 3b8h s THR 763 Ca -0.18 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 3b8h s THR 763 Cb 0.05 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 71.32 3b8h s THR 763 CO 0.25 -0.05 0.69 -0.81 -0.54 0.00 0.00 174.62 174.15 3b8h n PRO 764 N -2.93 1.15 -2.92 3.99 -0.04 -1.26 -4.42 135.00 128.57 3b8h n PRO 764 Ca 0.14 -0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3b8h n PRO 764 Cb 0.50 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 3b8h n PRO 764 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3b8h s LEU 765 N -0.37 4.33 0.06 1.53 2.96 -1.26 -1.00 118.68 124.93 3b8h s LEU 765 Ca 0.02 1.36 0.06 0.00 -0.22 0.00 0.00 54.13 55.35 3b8h s LEU 765 Cb 0.02 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 3b8h s LEU 765 CO 0.01 -0.18 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.39 3b8h s PHE 766 N 0.93 2.75 -0.23 5.38 0.40 -0.16 -3.40 117.98 123.65 3b8h s PHE 766 Ca 0.43 -0.14 -0.05 0.00 -0.60 0.00 0.00 56.93 56.56 3b8h s PHE 766 Cb -0.19 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 3b8h s PHE 766 CO 0.21 0.37 0.00 -0.08 0.70 0.00 0.00 175.22 176.43 3b8h s THR 767 N -1.09 3.80 -0.21 0.64 -1.32 -0.91 -1.07 115.64 115.49 3b8h s THR 767 Ca 0.19 -0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.27 3b8h s THR 767 Cb -0.11 -2.75 -0.02 0.00 -1.51 0.00 0.00 72.50 68.12 3b8h s THR 767 CO 0.10 0.40 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.20 3b8h s VAL 768 N 1.43 3.70 -0.13 5.08 1.01 0.02 -2.48 120.40 129.04 3b8h s VAL 768 Ca 0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3b8h s VAL 768 Cb -0.15 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3b8h s VAL 768 CO 0.00 0.42 -0.10 -0.54 0.00 0.00 0.00 175.10 174.88 3b8h s LYS 769 N 1.21 3.34 0.11 2.72 1.02 -0.60 -0.49 119.74 127.05 3b8h s LYS 769 Ca 0.03 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.31 3b8h s LYS 769 Cb -0.15 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 3b8h s LYS 769 CO 0.00 0.29 0.20 0.00 -0.92 0.00 0.00 175.35 174.91 3b8h s ALA 770 N 0.18 -0.04 -0.20 5.17 0.00 -0.67 -0.06 121.76 126.14 3b8h s ALA 770 Ca -0.06 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 3b8h s ALA 770 Cb -0.15 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3b8h s ALA 770 CO 0.04 -0.54 0.28 0.71 0.00 0.00 0.00 175.76 176.26 3b8h s TYR 771 N -3.91 3.38 -0.17 0.00 4.12 0.11 -0.99 117.35 119.89 3b8h s TYR 771 Ca 0.10 0.47 0.00 0.00 0.02 0.00 0.00 57.07 57.67 3b8h s TYR 771 Cb 0.05 -2.38 0.03 0.00 -1.52 0.00 0.00 41.96 38.14 3b8h s TYR 771 CO -0.07 0.09 -0.10 -1.17 0.02 0.00 0.00 175.55 174.32 3b8h s LEU 772 N 0.99 1.90 0.24 -1.29 2.96 0.08 -1.99 118.68 121.57 3b8h s LEU 772 Ca 0.14 -0.68 -0.31 0.00 -0.22 0.00 0.00 54.13 53.05 3b8h s LEU 772 Cb -0.14 -1.13 -0.13 0.00 0.50 0.00 0.00 46.19 45.29 3b8h s LEU 772 CO 0.05 -0.12 1.49 -2.65 -1.32 0.00 0.00 176.35 173.80 3b8h n PRO 773 N 4.76 2.22 0.25 0.98 -0.02 -1.26 0.72 135.00 142.64 3b8h n PRO 773 Ca -0.15 0.79 0.09 0.00 -2.02 0.00 0.00 63.50 62.21 3b8h n PRO 773 Cb 0.48 -2.50 0.62 0.00 -0.02 0.00 0.00 33.50 32.08 3b8h n PRO 773 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3b8h h VAL 774 N 3.23 0.91 -0.05 -1.45 2.07 -1.87 0.05 116.25 119.14 3b8h h VAL 774 Ca -0.45 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3b8h h VAL 774 Cb 1.26 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3b8h h VAL 774 CO 0.79 0.13 0.00 -0.46 0.02 0.00 0.00 177.57 178.05 3b8h n ASN 775 N -4.11 0.38 -0.03 0.57 6.94 -1.26 -2.79 115.26 114.97 3b8h n ASN 775 Ca -0.02 -1.68 0.01 0.00 -0.02 0.00 0.00 54.58 52.87 3b8h n ASN 775 Cb 0.21 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 3b8h n ASN 775 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3b8h n GLU 776 N -0.44 1.66 0.00 -3.83 -0.58 -0.02 -4.71 120.64 112.72 3b8h n GLU 776 Ca 0.10 -0.38 0.14 0.00 -0.42 0.00 0.00 57.16 56.60 3b8h n GLU 776 Cb 0.10 -0.86 0.47 0.00 -0.57 0.00 0.00 31.44 30.58 3b8h n GLU 776 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3b8h n SER 777 N -0.30 1.06 -4.63 1.62 3.41 -1.04 -4.69 113.62 109.05 3b8h n SER 777 Ca 0.00 -1.04 -0.43 0.00 -0.26 0.00 0.00 58.87 57.15 3b8h n SER 777 Cb 0.02 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 3b8h n SER 777 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3b8h s PHE 778 N -2.33 2.41 0.00 7.33 0.08 -1.26 -2.08 117.98 122.13 3b8h s PHE 778 Ca 0.30 0.71 0.00 0.00 0.12 0.00 0.00 56.93 58.06 3b8h s PHE 778 Cb 0.20 -3.94 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 3b8h s PHE 778 CO 0.45 -2.30 0.00 0.41 -0.10 0.00 0.00 175.22 173.68 3b8h n GLY 779 N 4.46 0.51 0.25 4.36 0.00 -1.26 -4.96 105.19 108.55 3b8h n GLY 779 Ca 0.17 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3b8h n GLY 779 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3b8h h PHE 780 N 0.00 -0.54 -0.77 1.61 3.57 -1.70 -2.40 116.94 116.71 3b8h h PHE 780 Ca 0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.65 3b8h h PHE 780 Cb 0.00 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 3b8h h PHE 780 CO 0.00 -0.33 0.52 1.15 -2.23 0.00 0.00 178.31 177.42 3b8h h THR 781 N -0.54 0.77 -0.14 4.41 2.02 -1.93 0.04 112.91 117.54 3b8h h THR 781 Ca -0.04 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3b8h h THR 781 Cb 0.44 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3b8h h THR 781 CO 0.05 0.07 0.02 1.23 0.37 0.00 0.00 175.52 177.26 3b8h h GLY 782 N 0.39 0.25 2.00 2.16 0.00 -1.86 -2.95 103.07 103.07 3b8h h GLY 782 Ca 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 3b8h h GLY 782 CO -0.12 0.16 -0.08 0.83 0.00 0.00 0.00 176.54 177.33 3b8h h GLU 783 N 0.00 0.00 0.00 4.80 5.08 -0.83 -3.11 114.58 120.53 3b8h h GLU 783 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3b8h h GLU 783 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3b8h h GLU 783 CO 0.00 0.08 0.00 1.25 -1.00 0.00 0.00 179.01 179.35 3b8h h LEU 784 N 0.00 0.00 0.00 1.33 5.85 -0.87 -2.91 115.31 118.71 3b8h h LEU 784 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3b8h h LEU 784 Cb 0.69 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3b8h h LEU 784 CO 0.01 0.00 -1.30 -2.11 -0.34 0.00 0.00 178.44 174.71 3b8h n ARG 785 N -2.89 0.62 -0.03 1.25 1.85 -1.13 -3.07 116.66 113.25 3b8h n ARG 785 Ca 0.04 0.11 -0.13 0.00 -1.00 0.00 0.00 57.85 56.87 3b8h n ARG 785 Cb 0.50 -1.77 -0.09 0.00 -1.05 0.00 0.00 32.46 30.05 3b8h n ARG 785 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3b8h h GLN 786 N 0.00 0.14 0.00 2.89 7.50 -1.59 0.37 115.11 124.42 3b8h h GLN 786 Ca -0.07 -0.09 -0.04 0.00 0.50 0.00 0.00 58.65 58.95 3b8h h GLN 786 Cb 1.21 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.75 3b8h h GLN 786 CO 0.01 0.64 -0.21 0.00 -1.50 0.00 0.00 178.83 177.78 3b8h h ALA 787 N 0.50 1.57 -0.11 3.87 0.00 -1.64 -3.04 119.26 120.41 3b8h h ALA 787 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3b8h h ALA 787 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3b8h h ALA 787 CO 0.02 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.78 3b8h n THR 788 N -4.17 1.84 -1.48 0.00 -2.24 -1.18 -4.25 114.28 102.79 3b8h n THR 788 Ca -0.02 -1.90 -0.17 0.00 -2.27 0.00 0.00 64.05 59.69 3b8h n THR 788 Cb 0.27 -0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 3b8h n THR 788 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b8h n GLY 789 N -0.89 1.62 1.85 3.38 0.00 -0.70 -1.05 105.19 109.41 3b8h n GLY 789 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3b8h n GLY 789 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8h n GLY 790 N -0.25 0.45 0.09 -0.02 0.00 0.12 -4.93 105.19 100.65 3b8h n GLY 790 Ca -0.17 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.11 3b8h n GLY 790 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3b8h n GLN 791 N -2.93 0.62 -2.39 1.61 6.02 -0.21 -4.64 117.38 115.46 3b8h n GLN 791 Ca 0.00 0.11 -0.39 0.00 -0.01 0.00 0.00 57.00 56.71 3b8h n GLN 791 Cb 0.00 -1.76 -0.03 0.00 1.02 0.00 0.00 30.24 29.47 3b8h n GLN 791 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3b8h s ALA 792 N -3.14 3.28 -0.55 -1.58 0.00 -1.26 -4.67 121.76 113.83 3b8h s ALA 792 Ca -0.03 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3b8h s ALA 792 Cb 0.10 -3.35 0.14 0.00 0.00 0.00 0.00 23.12 20.01 3b8h s ALA 792 CO 0.82 -0.34 0.33 0.12 0.00 0.00 0.00 175.76 176.69 3b8h s PHE 793 N -1.33 3.35 0.82 0.00 5.36 0.39 -4.97 117.98 121.60 3b8h s PHE 793 Ca 0.51 -2.91 -0.12 0.00 -0.96 0.00 0.00 56.93 53.46 3b8h s PHE 793 Cb -0.31 -3.03 0.09 0.00 -0.34 0.00 0.00 43.02 39.44 3b8h s PHE 793 CO 0.39 -0.81 1.15 -2.14 -1.46 0.00 0.00 175.22 172.35 3b8h s PRO 794 N -0.03 1.66 -0.30 10.12 0.02 -1.26 -2.82 135.00 142.39 3b8h s PRO 794 Ca 0.16 1.52 -0.15 0.00 0.02 0.00 0.00 61.00 62.55 3b8h s PRO 794 Cb -0.23 -1.80 0.18 0.00 0.02 0.00 0.00 34.50 32.67 3b8h s PRO 794 CO -0.02 -2.15 1.14 -1.14 -0.33 0.00 0.00 177.00 174.50 3b8h s GLN 795 N -4.48 0.05 0.15 5.54 0.74 -1.06 -4.71 119.66 115.90 3b8h s GLN 795 Ca 0.68 0.04 0.10 0.00 0.05 0.00 0.00 55.36 56.23 3b8h s GLN 795 Cb -0.23 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.86 3b8h s GLN 795 CO 0.53 -0.10 -0.21 0.00 -0.55 0.00 0.00 175.29 174.96 3b8h s MET 796 N 2.87 1.62 0.01 1.67 0.23 -1.26 0.97 119.30 125.42 3b8h s MET 796 Ca 0.30 -1.34 -0.02 0.00 -1.03 0.00 0.00 55.69 53.59 3b8h s MET 796 Cb 0.00 -1.98 -0.01 0.00 -1.53 0.00 0.00 34.83 31.32 3b8h s MET 796 CO -0.22 0.44 0.02 0.54 -2.03 0.00 0.00 175.02 173.78 3b8h s VAL 797 N -1.35 0.10 0.19 5.16 0.11 -0.58 -4.93 120.40 119.09 3b8h s VAL 797 Ca 0.18 -0.81 -0.32 0.00 -2.93 0.00 0.00 61.98 58.11 3b8h s VAL 797 Cb -0.09 -0.31 -0.11 0.00 -1.53 0.00 0.00 36.38 34.34 3b8h s VAL 797 CO 0.09 -0.44 1.63 0.12 -3.33 0.00 0.00 175.10 173.17 3b8h s PHE 798 N -1.38 2.99 0.00 1.54 5.36 -1.26 0.39 117.98 125.62 3b8h s PHE 798 Ca -0.15 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 3b8h s PHE 798 Cb -0.09 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.58 3b8h s PHE 798 CO -0.00 -3.77 0.00 -3.47 -1.46 0.00 0.00 175.22 166.52 3b8h n ASP 799 N 3.88 0.00 -4.09 6.13 -0.08 0.42 -4.79 116.55 118.02 3b8h n ASP 799 Ca 0.14 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.31 3b8h n ASP 799 Cb 0.37 -0.17 -0.09 0.00 2.34 0.00 0.00 41.12 43.57 3b8h n ASP 799 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 3b8h s HIS 800 N -0.72 1.00 -0.16 -0.67 -3.43 -1.16 -4.98 115.29 105.16 3b8h s HIS 800 Ca 0.00 -1.24 -0.08 0.00 -0.80 0.00 0.00 55.06 52.94 3b8h s HIS 800 Cb 0.00 -0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 30.72 3b8h s HIS 800 CO 0.00 -0.74 0.12 -1.58 -2.00 0.00 0.00 174.74 170.54 3b8h s TRP 801 N -4.07 3.45 -0.16 0.38 0.52 -1.26 -0.53 118.94 117.27 3b8h s TRP 801 Ca 0.35 0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.85 3b8h s TRP 801 Cb 0.05 -2.05 0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3b8h s TRP 801 CO 0.12 0.45 -0.20 0.45 0.02 0.00 0.00 176.95 177.79 3b8h s SER 802 N -0.22 3.20 0.09 2.95 0.15 0.13 -4.90 113.70 115.11 3b8h s SER 802 Ca 0.10 -0.61 -0.31 0.00 0.70 0.00 0.00 55.95 55.84 3b8h s SER 802 Cb -0.12 -1.48 -0.06 0.00 -1.71 0.00 0.00 66.02 62.65 3b8h s SER 802 CO 0.01 0.04 1.23 -0.89 1.20 0.00 0.00 173.24 174.83 3b8h s THR 803 N 1.03 3.85 -0.08 6.45 2.01 -1.26 -0.57 115.64 127.07 3b8h s THR 803 Ca -0.02 1.36 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 3b8h s THR 803 Cb -0.14 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3b8h s THR 803 CO -0.06 0.13 0.84 -0.76 -0.69 0.00 0.00 174.62 174.07 3b8h s LEU 804 N 0.83 4.29 0.38 4.42 1.43 -0.14 -4.95 118.68 124.93 3b8h s LEU 804 Ca 0.58 1.34 0.19 0.00 -1.03 0.00 0.00 54.13 55.22 3b8h s LEU 804 Cb -0.31 -3.30 0.70 0.00 0.03 0.00 0.00 46.19 43.32 3b8h s LEU 804 CO 0.31 -0.26 1.75 1.23 0.23 0.00 0.00 176.35 179.61 3b8h h GLY 805 N 7.29 0.00 -1.20 -3.19 0.00 -1.95 -3.40 103.07 100.61 3b8h h GLY 805 Ca -0.37 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.47 3b8h h GLY 805 CO 0.78 0.00 0.18 -1.35 0.00 0.00 0.00 176.54 176.15 3b8h s SER 806 N -6.45 2.60 -0.50 0.19 1.04 -1.26 -4.94 113.70 104.38 3b8h s SER 806 Ca -0.00 1.87 -0.24 0.00 0.48 0.00 0.00 55.95 58.05 3b8h s SER 806 Cb 0.11 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.83 3b8h s SER 806 CO 0.69 -3.25 0.90 -0.62 0.98 0.00 0.00 173.24 171.93 3b8h s ASP 807 N -2.81 6.41 0.46 7.02 3.68 -1.26 -4.73 116.67 125.43 3b8h s ASP 807 Ca 0.66 -0.14 0.11 0.00 2.13 0.00 0.00 52.55 55.31 3b8h s ASP 807 Cb -0.22 -2.43 1.03 0.00 -1.45 0.00 0.00 42.92 39.85 3b8h s ASP 807 CO 0.59 -1.09 2.08 1.55 0.13 0.00 0.00 175.17 178.43 3b8h h PRO 808 N 9.15 0.25 0.00 4.34 0.13 -1.85 -0.19 132.00 143.83 3b8h h PRO 808 Ca -0.25 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3b8h h PRO 808 Cb 1.08 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3b8h h PRO 808 CO 1.04 0.20 0.00 -0.07 -0.23 0.00 0.00 178.00 178.94 3b8h h LEU 809 N 0.25 0.00 -8.59 1.56 3.38 -1.91 -3.31 115.31 106.70 3b8h h LEU 809 Ca 0.07 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.39 3b8h h LEU 809 Cb 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.64 3b8h h LEU 809 CO -0.01 0.00 0.21 -0.62 0.09 0.00 0.00 178.44 178.11 3b8h s ASP 810 N -5.63 6.35 0.50 -0.43 -1.08 -0.09 -4.92 116.67 111.36 3b8h s ASP 810 Ca 0.03 -0.29 0.15 0.00 -0.52 0.00 0.00 52.55 51.92 3b8h s ASP 810 Cb 0.08 -2.34 1.20 0.00 -1.46 0.00 0.00 42.92 40.40 3b8h s ASP 810 CO 0.56 -0.85 2.11 -0.65 0.52 0.00 0.00 175.17 176.86 3b8h h PRO 811 N 8.93 0.12 -0.01 4.34 0.11 -1.79 -2.16 132.00 141.54 3b8h h PRO 811 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3b8h h PRO 811 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3b8h h PRO 811 CO 0.92 0.08 -0.26 0.25 -0.21 0.00 0.00 178.00 178.78 3b8h n THR 812 N -4.51 0.00 -2.05 -1.15 -2.24 -1.26 -3.11 114.28 99.96 3b8h n THR 812 Ca 0.00 -0.11 -0.28 0.00 -2.27 0.00 0.00 64.05 61.39 3b8h n THR 812 Cb 0.16 0.34 0.07 0.00 -2.10 0.00 0.00 70.33 68.80 3b8h n THR 812 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b8h s SER 813 N -2.53 4.85 0.39 3.42 1.04 -0.81 -4.87 113.70 115.19 3b8h s SER 813 Ca 0.24 0.70 0.16 0.00 0.48 0.00 0.00 55.95 57.53 3b8h s SER 813 Cb 0.19 -1.34 0.81 0.00 0.10 0.00 0.00 66.02 65.78 3b8h s SER 813 CO 0.53 -1.64 1.84 0.11 0.98 0.00 0.00 173.24 175.07 3b8h h LYS 814 N -0.75 0.00 0.11 4.02 1.57 -1.88 0.11 116.57 119.75 3b8h h LYS 814 Ca -0.45 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.12 3b8h h LYS 814 Cb 1.31 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.62 3b8h h LYS 814 CO 0.63 0.34 -1.01 0.00 -0.57 0.00 0.00 179.45 178.84 3b8h h ALA 815 N 1.66 0.05 0.00 3.86 0.00 -1.85 -3.29 119.26 119.69 3b8h h ALA 815 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3b8h h ALA 815 Cb 0.65 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3b8h h ALA 815 CO 0.04 0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.62 3b8h h GLY 816 N -0.29 0.00 0.64 0.00 0.00 -1.48 -2.28 103.07 99.66 3b8h h GLY 816 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3b8h h GLY 816 CO 0.08 0.00 -0.06 -2.09 0.00 0.00 0.00 176.54 174.47 3b8h h GLU 817 N 0.00 -0.16 -0.53 4.80 4.81 -0.71 -1.36 114.58 121.43 3b8h h GLU 817 Ca 0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3b8h h GLU 817 Cb 0.21 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3b8h h GLU 817 CO 0.00 0.18 0.14 0.82 -0.73 0.00 0.00 179.01 179.42 3b8h h ILE 818 N -0.53 1.22 -0.33 2.32 2.04 -1.52 -2.51 117.51 118.20 3b8h h ILE 818 Ca -0.02 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 3b8h h ILE 818 Cb 0.42 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3b8h h ILE 818 CO 0.03 0.29 0.06 0.58 0.00 0.00 0.00 178.15 179.11 3b8h h VAL 819 N 0.79 1.24 -0.01 1.67 2.07 -1.38 -2.21 116.25 118.42 3b8h h VAL 819 Ca 0.18 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3b8h h VAL 819 Cb 0.27 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3b8h h VAL 819 CO -0.00 0.27 0.00 0.25 0.02 0.00 0.00 177.57 178.11 3b8h h LEU 820 N 0.38 0.01 -0.81 2.57 5.85 -1.10 -1.20 115.31 121.01 3b8h h LEU 820 Ca 0.10 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3b8h h LEU 820 Cb 0.35 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3b8h h LEU 820 CO 0.01 0.06 0.51 0.00 -0.34 0.00 0.00 178.44 178.67 3b8h h ALA 821 N 0.95 1.08 -0.34 1.25 0.00 -1.41 -1.50 119.26 119.29 3b8h h ALA 821 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3b8h h ALA 821 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3b8h h ALA 821 CO -0.00 0.29 -0.19 0.00 0.00 0.00 0.00 179.25 179.35 3b8h h ALA 822 N 1.36 0.48 -0.41 0.00 0.00 -1.28 -1.95 119.26 117.45 3b8h h ALA 822 Ca 0.34 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3b8h h ALA 822 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3b8h h ALA 822 CO -0.14 0.42 0.25 0.00 0.00 0.00 0.00 179.25 179.79 3b8h h ARG 823 N 0.50 0.56 -0.63 0.00 3.08 -0.80 -0.31 114.38 116.79 3b8h h ARG 823 Ca 0.07 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3b8h h ARG 823 Cb 0.73 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3b8h h ARG 823 CO 0.05 0.40 0.11 0.87 -1.07 0.00 0.00 179.97 180.34 3b8h h LYS 824 N 0.55 1.02 -0.94 0.04 1.57 -1.30 0.10 116.57 117.61 3b8h h LYS 824 Ca 0.15 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3b8h h LYS 824 Cb -0.01 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 3b8h h LYS 824 CO -0.03 0.93 0.56 -0.09 -0.57 0.00 0.00 179.45 180.25 3b8h h ARG 825 N 0.96 1.28 -0.05 3.15 2.43 -0.78 -2.32 114.38 119.04 3b8h h ARG 825 Ca 0.20 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3b8h h ARG 825 Cb 0.40 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3b8h h ARG 825 CO 0.01 0.90 0.00 0.72 -1.51 0.00 0.00 179.97 180.08 3b8h n HIS 826 N -4.35 0.07 -2.36 2.20 8.25 -0.18 -4.89 115.22 113.96 3b8h n HIS 826 Ca 0.10 -0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 3b8h n HIS 826 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3b8h n HIS 826 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b8h n GLY 827 N 0.99 -0.12 3.96 -1.41 0.00 -0.87 -5.02 105.19 102.72 3b8h n GLY 827 Ca 0.17 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 3b8h n GLY 827 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3b8h s MET 828 N -4.78 3.12 0.26 1.61 -1.94 0.32 -5.03 119.30 112.87 3b8h s MET 828 Ca 0.05 -0.64 -0.31 0.00 -1.71 0.00 0.00 55.69 53.08 3b8h s MET 828 Cb -0.02 -2.65 -0.12 0.00 2.01 0.00 0.00 34.83 34.05 3b8h s MET 828 CO 0.06 -0.12 1.66 0.21 -0.01 0.00 0.00 175.02 176.82 3b8h s LYS 829 N -4.41 4.11 0.46 2.03 2.20 -1.26 -4.44 119.74 118.44 3b8h s LYS 829 Ca 0.46 2.61 0.14 0.00 -0.36 0.00 0.00 55.97 58.82 3b8h s LYS 829 Cb -0.10 -3.04 1.10 0.00 -1.51 0.00 0.00 37.83 34.28 3b8h s LYS 829 CO 0.35 -0.70 2.05 0.93 -0.36 0.00 0.00 175.35 177.63 3b8h h GLU 830 N 5.71 0.27 -5.88 4.03 5.08 -1.95 -3.42 114.58 118.43 3b8h h GLU 830 Ca -0.45 -0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 57.29 3b8h h GLU 830 Cb 1.21 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 3b8h h GLU 830 CO 0.87 0.18 -0.21 -1.21 -1.00 0.00 0.00 179.01 177.64 3b8h s GLU 831 N -5.28 4.06 -0.12 2.33 8.01 -1.26 -4.83 118.70 121.61 3b8h s GLU 831 Ca -0.07 0.38 -0.29 0.00 0.01 0.00 0.00 54.97 54.99 3b8h s GLU 831 Cb 0.18 -3.30 -0.03 0.00 -4.31 0.00 0.00 34.13 26.67 3b8h s GLU 831 CO 0.72 0.51 1.48 0.08 0.01 0.00 0.00 175.26 178.05 3b8h s VAL 832 N -0.47 3.90 0.27 2.63 1.01 -1.26 -4.96 120.40 121.51 3b8h s VAL 832 Ca 0.23 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 3b8h s VAL 832 Cb -0.16 -3.71 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 3b8h s VAL 832 CO 0.11 -0.11 1.21 -2.65 0.00 0.00 0.00 175.10 173.66 3b8h n PRO 833 N 6.94 1.71 -1.28 2.72 -0.02 -1.26 -4.97 135.00 138.83 3b8h n PRO 833 Ca 0.16 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.95 3b8h n PRO 833 Cb 0.44 -2.12 0.17 0.00 -0.02 0.00 0.00 33.50 31.96 3b8h n PRO 833 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3b8h s GLY 834 N -0.18 1.57 0.45 -1.23 0.00 -1.26 -4.94 107.32 101.73 3b8h s GLY 834 Ca 0.63 -0.45 0.20 0.00 0.00 0.00 0.00 44.72 45.09 3b8h s GLY 834 CO 0.57 0.16 1.95 0.11 0.00 0.00 0.00 173.10 175.88 3b8h h TRP 835 N -1.82 0.00 -0.10 1.90 5.08 -1.91 -2.90 115.95 116.21 3b8h h TRP 835 Ca -0.53 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.46 3b8h h TRP 835 Cb 1.33 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.49 3b8h h TRP 835 CO 0.21 0.23 0.08 1.96 -1.28 0.00 0.00 178.44 179.64 3b8h h GLN 836 N 0.00 0.00 0.00 0.12 7.50 -1.92 -0.78 115.11 120.04 3b8h h GLN 836 Ca -0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 3b8h h GLN 836 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 3b8h h GLN 836 CO 0.03 0.00 -0.34 0.93 -1.50 0.00 0.00 178.83 177.95 3b8h h GLU 837 N 0.00 0.00 0.00 1.46 5.08 -1.88 -3.03 114.58 116.21 3b8h h GLU 837 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3b8h h GLU 837 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3b8h h GLU 837 CO -0.00 0.34 -1.43 0.66 -1.00 0.00 0.00 179.01 177.59 3b8h n TYR 838 N -3.47 0.00 -1.92 4.33 4.02 -0.71 -4.95 117.16 114.45 3b8h n TYR 838 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 3b8h n TYR 838 Cb 0.50 -0.22 0.02 0.00 -0.02 0.00 0.00 39.34 39.62 3b8h n TYR 838 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3b8h s TYR 839 N -3.18 3.18 0.13 -0.72 5.04 -0.38 -4.31 117.35 117.11 3b8h s TYR 839 Ca 0.01 1.45 -0.35 0.00 -2.44 0.00 0.00 57.07 55.74 3b8h s TYR 839 Cb 0.15 -2.90 -0.15 0.00 0.35 0.00 0.00 41.96 39.41 3b8h s TYR 839 CO 0.86 -0.98 1.53 -3.47 -1.34 0.00 0.00 175.55 172.15 3b8h n ASP 840 N -2.41 2.74 -4.56 4.32 4.64 0.28 -4.84 116.55 116.73 3b8h n ASP 840 Ca 0.08 1.09 -0.33 0.00 -1.38 0.00 0.00 54.79 54.24 3b8h n ASP 840 Cb 0.53 -1.36 -0.04 0.00 -1.04 0.00 0.00 41.12 39.21 3b8h n ASP 840 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3b8h s LYS 841 N 0.93 3.04 0.00 -0.67 2.20 -1.26 -5.04 119.74 118.94 3b8h s LYS 841 Ca 0.81 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 3b8h s LYS 841 Cb -0.75 -5.22 0.00 0.00 -1.51 0.00 0.00 37.83 30.35 3b8h s LYS 841 CO 0.41 -2.88 0.00 1.28 -0.36 0.00 0.00 175.35 173.80