#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npf s PHE 4 N 0.00 1.84 0.26 0.00 0.08 0.34 -4.89 117.98 115.61 2npf s PHE 4 Ca 0.00 -1.10 0.07 0.00 0.12 0.00 0.00 56.93 56.02 2npf s PHE 4 Cb 0.00 -1.19 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 2npf s PHE 4 CO 0.00 -0.14 0.24 0.95 -0.10 0.00 0.00 175.22 176.17 2npf s THR 5 N -3.34 4.43 0.50 0.64 -4.23 -1.26 -1.75 115.64 110.64 2npf s THR 5 Ca 0.32 -1.32 0.22 0.00 -1.18 0.00 0.00 61.69 59.73 2npf s THR 5 Cb 0.07 -3.44 0.37 0.00 1.34 0.00 0.00 72.50 70.84 2npf s THR 5 CO 0.15 -0.32 1.99 0.58 -0.54 0.00 0.00 174.62 176.48 2npf h VAL 6 N 1.39 0.78 0.09 2.29 2.07 -1.96 0.59 116.25 121.50 2npf h VAL 6 Ca -0.48 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2npf h VAL 6 Cb 1.24 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2npf h VAL 6 CO 0.60 0.02 -0.04 0.44 0.02 0.00 0.00 177.57 178.61 2npf h ASP 7 N 0.12 -0.10 -0.52 0.57 3.32 -1.98 -0.65 116.42 117.18 2npf h ASP 7 Ca 0.26 -0.38 0.10 0.00 0.02 0.00 0.00 57.03 57.03 2npf h ASP 7 Cb 0.86 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.35 2npf h ASP 7 CO -0.03 0.35 -0.01 1.56 -1.72 0.00 0.00 179.24 179.39 2npf h GLN 8 N -0.59 0.10 0.09 3.56 4.20 -1.55 -0.51 115.11 120.42 2npf h GLN 8 Ca -0.01 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.70 2npf h GLN 8 Cb 0.48 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2npf h GLN 8 CO 0.02 0.07 -0.11 0.52 -0.67 0.00 0.00 178.83 178.66 2npf h MET 9 N 0.11 -0.22 -0.84 1.46 2.86 -0.90 -2.26 114.93 115.14 2npf h MET 9 Ca 0.26 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 58.06 2npf h MET 9 Cb 0.41 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2npf h MET 9 CO -0.45 -0.15 0.54 -0.09 1.06 0.00 0.00 176.91 177.83 2npf h ARG 10 N -0.23 0.60 -0.28 1.72 9.65 -0.10 0.04 114.38 125.78 2npf h ARG 10 Ca 0.01 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2npf h ARG 10 Cb 0.23 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 2npf h ARG 10 CO -0.04 0.39 0.11 1.03 2.80 0.00 0.00 179.97 184.26 2npf h SER 11 N 0.61 0.39 -0.50 -3.80 0.87 -0.59 -1.94 113.55 108.59 2npf h SER 11 Ca 0.41 -0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.89 2npf h SER 11 Cb 0.72 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2npf h SER 11 CO -0.17 0.45 0.34 -0.07 -0.53 0.00 0.00 176.83 176.86 2npf h LEU 12 N 0.30 0.27 -0.90 2.23 -0.00 -0.47 -1.58 115.31 115.17 2npf h LEU 12 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.95 2npf h LEU 12 Cb 0.19 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2npf h LEU 12 CO -0.01 0.17 -0.11 0.24 -0.00 0.00 0.00 178.44 178.73 2npf h MET 13 N 0.31 0.00 -0.11 1.13 2.86 -0.63 -3.09 114.93 115.39 2npf h MET 13 Ca 0.23 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.72 2npf h MET 13 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2npf h MET 13 CO -0.05 0.11 -0.57 -0.44 1.06 0.00 0.00 176.91 177.02 2npf h ASP 14 N 0.00 0.38 -2.06 1.22 3.32 -0.95 -3.34 116.42 114.98 2npf h ASP 14 Ca -0.00 -0.21 -0.76 0.00 0.02 0.00 0.00 57.03 56.09 2npf h ASP 14 Cb 0.77 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 40.03 2npf h ASP 14 CO 0.01 0.87 1.48 0.29 -1.72 0.00 0.00 179.24 180.17 2npf n LYS 15 N -3.91 3.57 0.00 3.56 5.02 -1.17 -4.78 118.16 120.45 2npf n LYS 15 Ca -0.03 -3.84 0.07 0.00 -2.02 0.00 0.00 58.31 52.49 2npf n LYS 15 Cb 0.60 -2.91 0.35 0.00 -0.02 0.00 0.00 35.03 33.05 2npf n LYS 15 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2npf n VAL 16 N 3.70 0.79 0.21 -0.18 0.24 -1.26 -0.75 118.33 121.08 2npf n VAL 16 Ca 0.36 0.20 0.10 0.00 -2.04 0.00 0.00 64.34 62.96 2npf n VAL 16 Cb 0.39 -0.94 0.31 0.00 -1.47 0.00 0.00 33.84 32.13 2npf n VAL 16 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2npf h THR 17 N 0.00 0.39 -0.86 3.34 1.35 -1.86 -2.99 112.91 112.28 2npf h THR 17 Ca 0.00 -1.27 -0.53 0.00 -0.55 0.00 0.00 66.41 64.06 2npf h THR 17 Cb 0.21 1.96 -0.28 0.00 -1.73 0.00 0.00 68.15 68.30 2npf h THR 17 CO 0.00 0.19 0.44 0.59 -0.25 0.00 0.00 175.52 176.49 2npf n ASN 18 N -3.22 5.30 -4.36 5.36 4.13 0.07 -4.72 115.26 117.82 2npf n ASN 18 Ca 0.02 -3.73 -0.29 0.00 1.68 0.00 0.00 54.58 52.25 2npf n ASN 18 Cb 0.51 -0.80 -0.14 0.00 -1.54 0.00 0.00 39.78 37.81 2npf n ASN 18 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2npf s VAL 19 N -4.08 2.17 -0.11 2.41 1.01 -1.13 -1.04 120.40 119.63 2npf s VAL 19 Ca 0.57 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2npf s VAL 19 Cb 0.47 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 35.00 2npf s VAL 19 CO 0.03 0.24 -0.00 -0.13 0.00 0.00 0.00 175.10 175.24 2npf s ARG 20 N -1.59 0.75 -0.33 2.72 1.81 0.40 -4.10 118.95 118.61 2npf s ARG 20 Ca 0.13 -0.07 -0.09 0.00 -1.72 0.00 0.00 55.73 53.97 2npf s ARG 20 Cb -0.10 -1.34 0.01 0.00 -0.45 0.00 0.00 34.95 33.07 2npf s ARG 20 CO 0.04 -0.38 0.15 -0.80 -0.68 0.00 0.00 175.30 173.63 2npf s ASN 21 N 1.91 5.51 0.14 0.23 0.01 -1.26 0.67 114.94 122.13 2npf s ASN 21 Ca 0.03 -0.73 -0.01 0.00 -0.71 0.00 0.00 52.86 51.45 2npf s ASN 21 Cb -0.13 -1.98 0.00 0.00 0.41 0.00 0.00 41.25 39.55 2npf s ASN 21 CO -0.06 -0.26 0.19 1.15 -1.51 0.00 0.00 177.10 176.61 2npf n MET 22 N 4.95 0.27 -3.49 -0.60 0.00 -0.44 -0.14 117.12 117.68 2npf n MET 22 Ca -0.13 -1.08 -0.13 0.00 0.00 0.00 0.00 57.70 56.37 2npf n MET 22 Cb 0.48 1.04 -0.03 0.00 0.00 0.00 0.00 33.22 34.70 2npf n MET 22 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2npf s SER 23 N -1.84 -0.49 -0.22 3.17 1.04 -1.07 0.05 113.70 114.34 2npf s SER 23 Ca 0.11 0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.41 2npf s SER 23 Cb -0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2npf s SER 23 CO 0.08 -0.87 0.42 -0.69 0.98 0.00 0.00 173.24 173.15 2npf s VAL 24 N -3.32 5.17 -0.19 5.02 1.01 -1.26 -1.64 120.40 125.20 2npf s VAL 24 Ca -0.01 0.72 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 2npf s VAL 24 Cb -0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2npf s VAL 24 CO -0.09 0.20 0.06 -0.63 0.00 0.00 0.00 175.10 174.65 2npf s ILE 25 N 1.64 4.77 -0.00 2.22 1.01 -0.77 -4.91 121.20 125.15 2npf s ILE 25 Ca 0.19 -0.04 -0.28 0.00 0.00 0.00 0.00 60.65 60.52 2npf s ILE 25 Cb -0.15 -3.15 0.09 0.00 0.01 0.00 0.00 42.46 39.26 2npf s ILE 25 CO 0.09 0.45 0.80 0.00 0.00 0.00 0.00 174.94 176.27 2npf s ALA 26 N 0.44 -1.78 0.94 9.38 0.00 -1.26 -0.56 121.76 128.93 2npf s ALA 26 Ca 0.03 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 2npf s ALA 26 Cb -0.13 0.23 0.16 0.00 0.00 0.00 0.00 23.12 23.38 2npf s ALA 26 CO 0.01 -0.57 1.16 -1.58 0.00 0.00 0.00 175.76 174.77 2npf s HIS 27 N -2.49 2.24 0.39 0.00 2.46 -1.26 -4.91 115.29 111.72 2npf s HIS 27 Ca -0.01 0.76 -0.26 0.00 0.47 0.00 0.00 55.06 56.02 2npf s HIS 27 Cb -0.01 -3.48 -0.09 0.00 -0.13 0.00 0.00 32.58 28.88 2npf s HIS 27 CO -0.04 -2.52 1.24 0.08 -2.47 0.00 0.00 174.74 171.03 2npf s VAL 28 N -3.33 2.88 0.00 0.89 1.01 -1.26 -3.17 120.40 117.42 2npf s VAL 28 Ca 0.65 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.41 2npf s VAL 28 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2npf s VAL 28 CO 0.53 0.10 0.00 0.47 0.00 0.00 0.00 175.10 176.21 2npf n ASP 29 N 0.18 -1.35 0.00 3.32 8.00 -1.26 -4.82 116.55 120.62 2npf n ASP 29 Ca 0.04 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.63 2npf n ASP 29 Cb 0.45 -2.39 0.49 0.00 -0.02 0.00 0.00 41.12 39.65 2npf n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2npf n HIS 30 N -2.03 0.00 0.00 1.24 8.25 -1.19 -4.87 115.22 116.62 2npf n HIS 30 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2npf n HIS 30 Cb 0.10 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.88 2npf n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2npf n GLY 31 N 0.47 1.16 0.24 -1.41 0.00 -1.26 -4.71 105.19 99.68 2npf n GLY 31 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 2npf n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2npf h LYS 32 N 1.48 0.20 -0.19 1.61 3.64 -1.89 -0.33 116.57 121.10 2npf h LYS 32 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2npf h LYS 32 Cb 0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2npf h LYS 32 CO 0.00 0.13 0.10 0.77 -2.27 0.00 0.00 179.45 178.18 2npf h SER 33 N 0.21 0.24 -0.20 4.20 0.02 -1.98 -1.65 113.55 114.39 2npf h SER 33 Ca 0.33 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 2npf h SER 33 Cb 0.52 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2npf h SER 33 CO -0.46 0.27 -0.28 0.71 -1.14 0.00 0.00 176.83 175.93 2npf h THR 34 N 0.19 1.28 -0.38 -2.27 1.35 -1.87 -2.27 112.91 108.95 2npf h THR 34 Ca 0.07 -1.39 -0.04 0.00 -0.55 0.00 0.00 66.41 64.49 2npf h THR 34 Cb 0.09 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 2npf h THR 34 CO -0.01 0.46 0.09 -0.07 -0.25 0.00 0.00 175.52 175.74 2npf h LEU 35 N 0.59 0.57 -1.22 3.87 3.38 -0.94 -1.23 115.31 120.33 2npf h LEU 35 Ca 0.07 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2npf h LEU 35 Cb 0.78 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2npf h LEU 35 CO 0.06 0.65 -0.11 0.71 0.09 0.00 0.00 178.44 179.84 2npf h THR 36 N 0.47 1.21 -0.21 0.22 1.35 -1.19 -1.05 112.91 113.71 2npf h THR 36 Ca 0.12 -0.91 -0.14 0.00 -0.55 0.00 0.00 66.41 64.93 2npf h THR 36 Cb 0.30 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 2npf h THR 36 CO 0.00 0.29 -0.44 0.44 -0.25 0.00 0.00 175.52 175.56 2npf h ASP 37 N 0.37 0.56 -0.30 5.36 3.32 -1.15 0.18 116.42 124.76 2npf h ASP 37 Ca 0.07 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.89 2npf h ASP 37 Cb 0.43 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2npf h ASP 37 CO 0.02 0.93 0.11 -1.28 -1.72 0.00 0.00 179.24 177.30 2npf h SER 38 N 0.43 0.12 -0.39 6.45 0.87 -0.46 0.23 113.55 120.79 2npf h SER 38 Ca 0.03 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2npf h SER 38 Cb 0.94 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2npf h SER 38 CO 0.08 0.10 0.16 -0.07 -0.53 0.00 0.00 176.83 176.58 2npf h LEU 39 N 0.24 0.53 -0.76 2.23 3.38 -0.72 -2.95 115.31 117.27 2npf h LEU 39 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2npf h LEU 39 Cb 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2npf h LEU 39 CO -0.14 0.55 0.36 0.58 0.09 0.00 0.00 178.44 179.88 2npf h VAL 40 N 0.49 1.24 -0.92 1.22 2.07 -0.03 0.11 116.25 120.44 2npf h VAL 40 Ca 0.13 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.99 2npf h VAL 40 Cb 0.17 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 2npf h VAL 40 CO -0.01 0.29 0.60 1.56 0.02 0.00 0.00 177.57 180.03 2npf h GLN 41 N 1.07 1.09 0.08 1.57 4.20 -0.42 0.29 115.11 123.00 2npf h GLN 41 Ca 0.26 -0.07 -0.31 0.00 0.06 0.00 0.00 58.65 58.59 2npf h GLN 41 Cb 0.13 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2npf h GLN 41 CO -0.03 0.72 -1.71 -0.09 -0.67 0.00 0.00 178.83 177.06 2npf h ARG 42 N 1.13 0.18 0.00 1.46 2.43 -1.33 -3.42 114.38 114.82 2npf h ARG 42 Ca 0.37 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2npf h ARG 42 Cb 0.05 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2npf h ARG 42 CO -0.12 1.15 -0.79 0.00 -1.51 0.00 0.00 179.97 178.70 2npf n ALA 43 N -3.14 3.67 -1.48 2.80 0.00 0.35 -4.99 120.51 117.72 2npf n ALA 43 Ca -0.31 -0.39 -0.44 0.00 0.00 0.00 0.00 53.44 52.29 2npf n ALA 43 Cb 0.92 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 2npf n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npf n GLY 44 N 1.38 -1.17 3.60 0.00 0.00 0.10 -1.30 105.19 107.79 2npf n GLY 44 Ca 0.02 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 2npf n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2npf s ILE 45 N -1.21 3.65 0.35 -0.61 1.01 -0.12 -4.59 121.20 119.67 2npf s ILE 45 Ca 0.62 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.53 2npf s ILE 45 Cb -0.72 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2npf s ILE 45 CO 0.58 0.39 0.08 -0.63 0.00 0.00 0.00 174.94 175.36 2npf s ILE 46 N -1.00 1.00 0.21 2.92 1.01 -1.26 -4.78 121.20 119.31 2npf s ILE 46 Ca 0.17 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.80 2npf s ILE 46 Cb -0.11 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 2npf s ILE 46 CO 0.08 0.00 0.43 -0.44 0.00 0.00 0.00 174.94 175.00 2npf s SER 47 N -3.52 6.42 -0.66 3.58 0.01 -1.26 -0.50 113.70 117.76 2npf s SER 47 Ca 0.33 0.51 0.03 0.00 1.31 0.00 0.00 55.95 58.13 2npf s SER 47 Cb 0.07 -2.05 0.35 0.00 0.21 0.00 0.00 66.02 64.60 2npf s SER 47 CO 0.15 -0.06 1.25 0.00 0.41 0.00 0.00 173.24 174.98 2npf n ALA 48 N -0.60 5.20 -3.63 1.44 0.00 -0.72 -4.77 120.51 117.44 2npf n ALA 48 Ca -0.04 -4.57 -0.02 0.00 0.00 0.00 0.00 53.44 48.82 2npf n ALA 48 Cb 0.53 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 2npf n ALA 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2npf s GLY 67 N -2.87 -0.69 -0.14 0.00 0.00 -1.26 -5.10 107.32 97.27 2npf s GLY 67 Ca 0.47 2.20 -0.25 0.00 0.00 0.00 0.00 44.72 47.13 2npf s GLY 67 CO -0.17 2.98 0.83 -0.42 0.00 0.00 0.00 173.10 176.32 2npf s ILE 68 N 2.85 4.91 0.13 0.90 -1.09 -1.26 -4.95 121.20 122.69 2npf s ILE 68 Ca -0.04 1.65 0.09 0.00 -2.23 0.00 0.00 60.65 60.12 2npf s ILE 68 Cb -0.12 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2npf s ILE 68 CO -0.18 0.08 -0.23 0.42 -1.23 0.00 0.00 174.94 173.80 2npf s THR 69 N 1.82 1.97 0.09 2.92 -4.23 -1.26 -4.51 115.64 112.44 2npf s THR 69 Ca 0.40 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2npf s THR 69 Cb -0.17 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 2npf s THR 69 CO 0.15 -0.05 -0.02 0.27 -0.54 0.00 0.00 174.62 174.43 2npf s ILE 70 N -1.29 0.38 -0.38 2.99 -4.36 0.97 -1.30 121.20 118.22 2npf s ILE 70 Ca 0.11 -1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 58.34 2npf s ILE 70 Cb -0.09 -1.72 -0.00 0.00 1.25 0.00 0.00 42.46 41.90 2npf s ILE 70 CO 0.06 -0.82 1.56 -0.75 0.24 0.00 0.00 174.94 175.23 2npf s LYS 71 N -3.92 3.50 0.01 0.37 2.20 -1.06 -4.21 119.74 116.62 2npf s LYS 71 Ca 0.13 1.14 -0.39 0.00 -0.36 0.00 0.00 55.97 56.49 2npf s LYS 71 Cb 0.07 -4.09 -0.18 0.00 -1.51 0.00 0.00 37.83 32.12 2npf s LYS 71 CO -0.05 -1.66 1.24 0.45 -0.36 0.00 0.00 175.35 174.96 2npf n SER 72 N 9.34 0.88 0.00 1.43 2.88 -1.24 -4.85 113.62 122.05 2npf n SER 72 Ca 0.19 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 2npf n SER 72 Cb 0.47 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2npf n SER 72 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2npf n THR 73 N 2.17 0.00 -3.44 2.46 -1.04 -1.26 -5.00 114.28 108.16 2npf n THR 73 Ca 0.20 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.08 2npf n THR 73 Cb 0.13 -0.50 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 2npf n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2npf s ALA 74 N -1.64 -1.65 0.12 2.41 0.00 -1.26 -1.54 121.76 118.20 2npf s ALA 74 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 51.96 52.69 2npf s ALA 74 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2npf s ALA 74 CO 0.00 -0.70 -0.16 0.42 0.00 0.00 0.00 175.76 175.32 2npf s ILE 75 N -3.31 1.44 -0.17 0.00 1.01 -0.85 -1.29 121.20 118.03 2npf s ILE 75 Ca -0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 60.65 58.93 2npf s ILE 75 Cb -0.01 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 2npf s ILE 75 CO -0.09 -0.30 0.06 -0.44 0.00 0.00 0.00 174.94 174.17 2npf s SER 76 N -2.26 5.66 -0.03 3.58 0.01 -1.26 -1.02 113.70 118.38 2npf s SER 76 Ca 0.08 0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.53 2npf s SER 76 Cb -0.07 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 2npf s SER 76 CO 0.04 0.21 -0.25 -0.76 0.41 0.00 0.00 173.24 172.88 2npf s LEU 77 N 0.16 2.08 -0.12 2.44 1.02 0.74 -0.94 118.68 124.05 2npf s LEU 77 Ca 0.05 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.73 2npf s LEU 77 Cb -0.12 -1.36 -0.01 0.00 0.02 0.00 0.00 46.19 44.72 2npf s LEU 77 CO 0.00 0.29 -0.15 -0.47 0.02 0.00 0.00 176.35 176.05 2npf s TYR 78 N -0.45 2.75 -0.09 0.29 5.04 -0.42 -0.44 117.35 124.03 2npf s TYR 78 Ca 0.05 -0.67 -0.04 0.00 -2.44 0.00 0.00 57.07 53.98 2npf s TYR 78 Cb -0.11 -1.80 0.05 0.00 0.35 0.00 0.00 41.96 40.45 2npf s TYR 78 CO 0.01 -0.21 0.18 0.45 -1.34 0.00 0.00 175.55 174.64 2npf s SER 79 N 0.24 0.19 -0.19 4.32 0.15 -0.81 -4.67 113.70 112.93 2npf s SER 79 Ca -0.10 0.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 2npf s SER 79 Cb -0.16 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.43 2npf s SER 79 CO 0.06 -0.19 0.02 -1.83 1.20 0.00 0.00 173.24 172.49 2npf s GLU 80 N 1.69 3.74 0.34 5.44 -1.05 -1.26 -1.38 118.70 126.23 2npf s GLU 80 Ca -0.04 -0.46 0.06 0.00 -0.15 0.00 0.00 54.97 54.38 2npf s GLU 80 Cb -0.12 -3.11 -0.01 0.00 -0.44 0.00 0.00 34.13 30.46 2npf s GLU 80 CO -0.07 0.12 0.48 -1.64 0.95 0.00 0.00 175.26 175.10 2npf s MET 81 N 0.74 3.10 0.42 -4.83 -1.94 0.13 -5.00 119.30 111.92 2npf s MET 81 Ca 0.01 -1.00 -0.22 0.00 -1.71 0.00 0.00 55.69 52.76 2npf s MET 81 Cb -0.14 -2.81 -0.10 0.00 2.01 0.00 0.00 34.83 33.79 2npf s MET 81 CO 0.02 0.03 0.99 -1.12 -0.01 0.00 0.00 175.02 174.93 2npf s SER 82 N -4.19 6.84 0.47 3.03 0.01 -1.26 -4.76 113.70 113.84 2npf s SER 82 Ca 0.46 1.84 0.26 0.00 1.31 0.00 0.00 55.95 59.82 2npf s SER 82 Cb -0.10 -2.56 1.30 0.00 0.21 0.00 0.00 66.02 64.88 2npf s SER 82 CO 0.31 -0.43 1.80 0.44 0.41 0.00 0.00 173.24 175.78 2npf h ASP 83 N 2.18 0.24 0.16 2.44 3.32 -1.97 0.13 116.42 122.92 2npf h ASP 83 Ca -0.49 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 2npf h ASP 83 Cb 1.20 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2npf h ASP 83 CO 0.62 0.05 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.02 2npf h GLU 84 N 0.21 -0.21 -1.03 3.56 4.81 -2.01 -3.27 114.58 116.64 2npf h GLU 84 Ca 0.56 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 60.07 2npf h GLU 84 Cb 1.78 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 31.12 2npf h GLU 84 CO -0.16 -0.14 0.67 -0.44 -0.73 0.00 0.00 179.01 178.21 2npf h ASP 85 N -0.39 0.40 0.00 1.04 3.32 -1.78 1.04 116.42 120.05 2npf h ASP 85 Ca -0.02 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2npf h ASP 85 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2npf h ASP 85 CO 0.04 0.09 0.03 0.52 -1.72 0.00 0.00 179.24 178.20 2npf n VAL 86 N -4.57 1.06 0.69 -1.35 0.31 0.39 0.68 118.33 115.56 2npf n VAL 86 Ca 0.24 0.72 0.11 0.00 -0.01 0.00 0.00 64.34 65.41 2npf n VAL 86 Cb 0.88 -1.72 0.08 0.00 -0.91 0.00 0.00 33.84 32.17 2npf n VAL 86 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2npf n LYS 87 N -2.18 0.21 0.19 5.55 4.76 0.36 -3.62 118.16 123.42 2npf n LYS 87 Ca -0.01 0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2npf n LYS 87 Cb 0.06 -1.58 0.41 0.00 -1.84 0.00 0.00 35.03 32.08 2npf n LYS 87 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2npf h GLU 88 N 0.00 0.00 -6.18 1.97 4.39 0.26 -3.43 114.58 111.59 2npf h GLU 88 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 2npf h GLU 88 Cb 0.67 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 2npf h GLU 88 CO 0.00 0.00 1.23 0.42 -1.16 0.00 0.00 179.01 179.50 2npf s ILE 89 N -3.30 3.54 -0.33 3.13 1.01 -1.20 -4.90 121.20 119.15 2npf s ILE 89 Ca 0.06 0.38 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 2npf s ILE 89 Cb 0.09 -4.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.17 2npf s ILE 89 CO 0.57 -1.13 2.49 1.17 0.00 0.00 0.00 174.94 178.04 2npf n LYS 90 N 9.05 1.67 -3.59 2.79 3.00 -1.26 -4.72 118.16 125.09 2npf n LYS 90 Ca 0.15 -0.95 -0.11 0.00 -0.00 0.00 0.00 58.31 57.40 2npf n LYS 90 Cb 0.50 -2.04 -0.06 0.00 0.00 0.00 0.00 35.03 33.43 2npf n LYS 90 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2npf s GLN 91 N 2.11 0.62 -0.42 1.64 -2.07 -1.26 -5.12 119.66 115.17 2npf s GLN 91 Ca 0.45 0.34 -0.44 0.00 -1.82 0.00 0.00 55.36 53.88 2npf s GLN 91 Cb 0.18 0.30 -0.19 0.00 -1.09 0.00 0.00 33.01 32.21 2npf s GLN 91 CO -0.01 -0.16 1.47 1.17 -1.32 0.00 0.00 175.29 176.44 2npf n LYS 92 N 1.31 0.00 -4.24 9.60 3.00 -1.26 -4.95 118.16 121.62 2npf n LYS 92 Ca -0.12 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.03 2npf n LYS 92 Cb 0.57 -1.44 -0.10 0.00 0.00 0.00 0.00 35.03 34.05 2npf n LYS 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2npf s THR 93 N 2.49 1.23 -0.42 3.15 2.01 -1.26 -4.75 115.64 118.08 2npf s THR 93 Ca 0.99 -1.89 0.05 0.00 0.31 0.00 0.00 61.69 61.15 2npf s THR 93 Cb -1.41 -1.68 0.17 0.00 0.01 0.00 0.00 72.50 69.59 2npf s THR 93 CO 0.76 -0.60 0.50 -0.62 -0.69 0.00 0.00 174.62 173.97 2npf s ASP 94 N -2.82 0.13 0.00 3.53 2.15 -1.26 -5.06 116.67 113.34 2npf s ASP 94 Ca 0.13 -1.77 0.00 0.00 0.43 0.00 0.00 52.55 51.34 2npf s ASP 94 Cb -0.01 0.93 0.00 0.00 -0.30 0.00 0.00 42.92 43.54 2npf s ASP 94 CO 0.02 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 2npf n GLY 95 N 3.69 -0.37 0.25 2.66 0.00 -1.26 -4.80 105.19 105.36 2npf n GLY 95 Ca 0.16 -2.26 0.05 0.00 0.00 0.00 0.00 46.02 43.98 2npf n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2npf n ASN 96 N 0.00 1.27 -4.90 1.61 3.02 -1.26 -5.01 115.26 110.00 2npf n ASN 96 Ca 0.00 -1.14 -0.32 0.00 -0.03 0.00 0.00 54.58 53.09 2npf n ASN 96 Cb 0.00 0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 2npf n ASN 96 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2npf s SER 97 N -1.41 6.49 0.00 6.41 0.01 -1.26 -0.70 113.70 123.24 2npf s SER 97 Ca 0.09 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2npf s SER 97 Cb 0.09 -2.08 -0.00 0.00 0.21 0.00 0.00 66.02 64.23 2npf s SER 97 CO 0.27 0.10 -0.00 -0.36 0.41 0.00 0.00 173.24 173.65 2npf s PHE 98 N -1.58 0.04 -0.25 2.43 0.08 -0.48 -4.82 117.98 113.41 2npf s PHE 98 Ca 0.38 -0.04 -0.05 0.00 0.12 0.00 0.00 56.93 57.34 2npf s PHE 98 Cb -0.12 -0.03 -0.00 0.00 -0.57 0.00 0.00 43.02 42.29 2npf s PHE 98 CO 0.24 -0.01 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.17 2npf s LEU 99 N -0.11 3.23 -0.10 -0.37 2.96 -0.21 -1.93 118.68 122.16 2npf s LEU 99 Ca -0.01 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2npf s LEU 99 Cb -0.01 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2npf s LEU 99 CO -0.00 -0.08 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.24 2npf s ILE 100 N 1.48 3.54 -0.28 6.68 1.01 0.41 -0.45 121.20 133.59 2npf s ILE 100 Ca 0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 2npf s ILE 100 Cb -0.15 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.87 2npf s ILE 100 CO -0.01 0.56 -0.00 0.20 0.00 0.00 0.00 174.94 175.68 2npf s ASN 101 N -0.29 4.70 -0.71 3.58 0.01 0.21 -0.19 114.94 122.25 2npf s ASN 101 Ca 0.04 -0.96 -0.19 0.00 -0.71 0.00 0.00 52.86 51.03 2npf s ASN 101 Cb -0.13 -1.74 0.11 0.00 0.41 0.00 0.00 41.25 39.91 2npf s ASN 101 CO 0.03 -0.19 0.87 -0.22 -1.51 0.00 0.00 177.10 176.08 2npf s LEU 102 N 1.35 5.23 0.55 0.60 2.96 -0.19 -1.32 118.68 127.85 2npf s LEU 102 Ca -0.01 -1.61 -0.18 0.00 -0.22 0.00 0.00 54.13 52.11 2npf s LEU 102 Cb -0.18 -2.34 -0.06 0.00 0.50 0.00 0.00 46.19 44.11 2npf s LEU 102 CO -0.02 -1.12 1.05 -0.63 -1.32 0.00 0.00 176.35 174.31 2npf s ILE 103 N 2.74 3.85 -0.16 6.68 -1.09 0.11 -2.01 121.20 131.31 2npf s ILE 103 Ca 0.20 0.98 0.01 0.00 -2.23 0.00 0.00 60.65 59.61 2npf s ILE 103 Cb -0.16 -3.43 0.03 0.00 -1.58 0.00 0.00 42.46 37.31 2npf s ILE 103 CO 0.02 -0.41 -0.14 -0.62 -1.23 0.00 0.00 174.94 172.55 2npf s ASP 104 N -2.49 2.88 -0.42 3.58 2.15 -0.59 -4.35 116.67 117.44 2npf s ASP 104 Ca 0.65 -0.59 0.11 0.00 0.43 0.00 0.00 52.55 53.15 2npf s ASP 104 Cb -0.16 -1.23 0.37 0.00 -0.30 0.00 0.00 42.92 41.60 2npf s ASP 104 CO 0.30 -0.07 0.84 -1.20 -0.17 0.00 0.00 175.17 174.87 2npf n SER 105 N 4.73 2.10 -0.13 -0.34 7.64 -1.26 -4.88 113.62 121.49 2npf n SER 105 Ca -0.17 -3.18 0.15 0.00 1.01 0.00 0.00 58.87 56.67 2npf n SER 105 Cb 0.49 -0.58 0.73 0.00 -1.01 0.00 0.00 64.21 63.84 2npf n SER 105 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2npf n PRO 106 N 0.05 0.94 -3.12 1.43 -0.02 -1.26 -4.95 135.00 128.06 2npf n PRO 106 Ca 0.25 -0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.10 2npf n PRO 106 Cb 0.62 -1.49 -0.06 0.00 -0.02 0.00 0.00 33.50 32.54 2npf n PRO 106 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2npf s GLY 107 N -2.24 2.69 -0.15 -1.23 0.00 -1.26 -4.68 107.32 100.45 2npf s GLY 107 Ca 0.37 0.16 -0.13 0.00 0.00 0.00 0.00 44.72 45.12 2npf s GLY 107 CO 0.41 0.57 0.23 1.42 0.00 0.00 0.00 173.10 175.72 2npf n HIS 108 N 1.13 -0.91 -0.34 1.90 8.25 -1.26 -4.83 115.22 119.17 2npf n HIS 108 Ca -0.05 0.38 0.18 0.00 -0.26 0.00 0.00 57.72 57.97 2npf n HIS 108 Cb 0.50 -0.84 0.40 0.00 1.12 0.00 0.00 29.99 31.18 2npf n HIS 108 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2npf h VAL 109 N 1.79 0.60 0.91 1.59 2.07 -1.93 -2.66 116.25 118.61 2npf h VAL 109 Ca -0.20 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2npf h VAL 109 Cb 0.73 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2npf h VAL 109 CO 0.08 0.11 -0.44 0.44 0.02 0.00 0.00 177.57 177.78 2npf h ASP 110 N 0.58 -1.03 -0.06 0.57 3.32 -1.98 -3.40 116.42 114.43 2npf h ASP 110 Ca 0.60 0.03 -0.28 0.00 0.02 0.00 0.00 57.03 57.40 2npf h ASP 110 Cb 1.19 0.27 -0.09 0.00 0.22 0.00 0.00 39.33 40.91 2npf h ASP 110 CO -0.38 -0.71 1.64 0.49 -1.72 0.00 0.00 179.24 178.56 2npf n PHE 111 N -5.60 0.21 -0.26 4.55 3.01 -1.00 -4.69 117.46 113.68 2npf n PHE 111 Ca -0.16 -0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.23 2npf n PHE 111 Cb 0.48 -0.88 0.05 0.00 -0.01 0.00 0.00 39.48 39.12 2npf n PHE 111 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2npf h SER 112 N 11.24 1.06 0.52 4.37 0.02 -1.78 -2.56 113.55 126.41 2npf h SER 112 Ca 0.03 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2npf h SER 112 Cb 1.10 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2npf h SER 112 CO 1.50 0.99 -0.35 0.77 -1.14 0.00 0.00 176.83 178.60 2npf h SER 113 N 1.07 -0.91 -0.80 3.07 4.64 -1.84 0.53 113.55 119.32 2npf h SER 113 Ca 0.23 0.06 0.19 0.00 -0.47 0.00 0.00 61.79 61.80 2npf h SER 113 Cb 0.32 0.27 -0.13 0.00 -0.31 0.00 0.00 62.40 62.55 2npf h SER 113 CO -0.01 -0.52 0.15 -0.33 -0.87 0.00 0.00 176.83 175.25 2npf h GLU 114 N -0.82 0.19 0.42 4.77 4.39 -1.86 -1.85 114.58 119.82 2npf h GLU 114 Ca -0.07 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2npf h GLU 114 Cb 0.67 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2npf h GLU 114 CO 0.05 0.13 -0.20 0.28 -1.16 0.00 0.00 179.01 178.10 2npf h VAL 115 N 0.20 0.00 -0.89 3.13 2.07 -1.19 -3.14 116.25 116.44 2npf h VAL 115 Ca 0.47 -0.25 0.23 0.00 0.82 0.00 0.00 66.70 67.97 2npf h VAL 115 Cb 0.86 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.48 2npf h VAL 115 CO -0.61 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.04 2npf h THR 116 N -0.81 0.19 -0.74 2.57 1.03 0.31 0.41 112.91 115.86 2npf h THR 116 Ca -0.06 -0.03 0.06 0.00 -0.01 0.00 0.00 66.41 66.38 2npf h THR 116 Cb 0.43 0.10 -0.06 0.00 -1.07 0.00 0.00 68.15 67.55 2npf h THR 116 CO 0.09 0.02 0.43 0.00 -0.01 0.00 0.00 175.52 176.05 2npf h ALA 117 N 1.85 1.02 -0.32 0.00 0.00 -1.43 0.12 119.26 120.50 2npf h ALA 117 Ca 0.53 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.31 2npf h ALA 117 Cb 1.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2npf h ALA 117 CO -0.78 0.12 -0.34 0.00 0.00 0.00 0.00 179.25 178.25 2npf h ALA 118 N 1.38 0.47 0.00 0.00 0.00 -0.26 -2.95 119.26 117.90 2npf h ALA 118 Ca 0.33 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2npf h ALA 118 Cb 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2npf h ALA 118 CO -0.19 0.53 -0.13 -0.07 0.00 0.00 0.00 179.25 179.39 2npf h LEU 119 N 0.56 0.00 -2.25 0.00 3.38 -0.19 -3.04 115.31 113.76 2npf h LEU 119 Ca 0.05 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2npf h LEU 119 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2npf h LEU 119 CO 0.08 0.13 0.14 -0.09 0.09 0.00 0.00 178.44 178.80 2npf h ARG 120 N 0.00 0.00 -0.15 1.13 2.43 -0.60 -1.09 114.38 116.10 2npf h ARG 120 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2npf h ARG 120 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2npf h ARG 120 CO 0.02 0.00 0.00 1.33 -1.51 0.00 0.00 179.97 179.81 2npf n VAL 121 N -3.92 0.19 -4.23 0.20 0.24 -1.15 -4.86 118.33 104.80 2npf n VAL 121 Ca 0.00 -0.31 -0.24 0.00 -2.04 0.00 0.00 64.34 61.75 2npf n VAL 121 Cb 0.25 0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 2npf n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2npf s THR 122 N -1.81 3.76 -0.07 3.34 -4.23 -0.41 -4.86 115.64 111.35 2npf s THR 122 Ca 0.32 -1.65 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 2npf s THR 122 Cb 0.17 -2.98 -0.08 0.00 1.34 0.00 0.00 72.50 70.95 2npf s THR 122 CO 0.26 -0.29 0.16 0.47 -0.54 0.00 0.00 174.62 174.67 2npf n ASP 123 N -0.73 2.83 -4.07 3.99 8.00 0.80 -4.90 116.55 122.46 2npf n ASP 123 Ca -0.08 -0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.19 2npf n ASP 123 Cb 0.58 1.20 -0.10 0.00 -0.02 0.00 0.00 41.12 42.77 2npf n ASP 123 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2npf s GLY 124 N -2.39 0.44 0.00 0.44 0.00 -0.79 -2.03 107.32 103.00 2npf s GLY 124 Ca -0.01 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.64 2npf s GLY 124 CO 0.24 -1.20 -0.07 0.00 0.00 0.00 0.00 173.10 172.07 2npf s ALA 125 N -3.44 0.61 -0.66 3.20 0.00 0.05 -2.59 121.76 118.94 2npf s ALA 125 Ca 0.03 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 2npf s ALA 125 Cb 0.04 -0.12 0.17 0.00 0.00 0.00 0.00 23.12 23.21 2npf s ALA 125 CO -0.08 0.12 0.60 -1.17 0.00 0.00 0.00 175.76 175.23 2npf s LEU 126 N -0.42 6.36 -0.20 0.00 2.96 -0.65 -1.64 118.68 125.08 2npf s LEU 126 Ca 0.01 -2.21 -0.29 0.00 -0.22 0.00 0.00 54.13 51.41 2npf s LEU 126 Cb -0.04 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 2npf s LEU 126 CO -0.00 -0.71 1.22 -0.69 -1.32 0.00 0.00 176.35 174.84 2npf s VAL 127 N 0.92 4.36 -0.10 1.68 1.01 0.12 -1.84 120.40 126.56 2npf s VAL 127 Ca 0.10 1.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.60 2npf s VAL 127 Cb -0.21 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2npf s VAL 127 CO -0.02 -0.20 0.23 -0.69 0.00 0.00 0.00 175.10 174.42 2npf s VAL 128 N 3.55 5.35 -0.03 2.92 1.01 0.28 -1.43 120.40 132.03 2npf s VAL 128 Ca 0.52 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 2npf s VAL 128 Cb -0.19 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.70 2npf s VAL 128 CO 0.14 0.57 0.06 -0.69 0.00 0.00 0.00 175.10 175.18 2npf s VAL 129 N -0.77 -0.05 0.38 2.92 1.01 -0.77 -4.45 120.40 118.67 2npf s VAL 129 Ca 0.17 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 2npf s VAL 129 Cb -0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 2npf s VAL 129 CO 0.06 0.07 1.20 -0.62 0.00 0.00 0.00 175.10 175.81 2npf s ASP 130 N 0.93 6.60 0.03 3.32 2.15 -1.26 -0.43 116.67 128.01 2npf s ASP 130 Ca -0.08 2.42 -0.25 0.00 0.43 0.00 0.00 52.55 55.08 2npf s ASP 130 Cb -0.11 -2.62 -0.17 0.00 -0.30 0.00 0.00 42.92 39.72 2npf s ASP 130 CO -0.03 -0.63 1.48 0.74 -0.17 0.00 0.00 175.17 176.55 2npf h THR 131 N 2.51 1.06 0.33 1.71 2.02 -1.47 -0.72 112.91 118.35 2npf h THR 131 Ca -0.49 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 2npf h THR 131 Cb 1.23 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2npf h THR 131 CO 0.63 0.13 -0.16 0.40 0.37 0.00 0.00 175.52 176.89 2npf h ILE 132 N -0.35 0.00 0.00 3.11 1.08 -1.85 -3.27 117.51 116.22 2npf h ILE 132 Ca -0.01 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2npf h ILE 132 Cb 0.30 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2npf h ILE 132 CO 0.02 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 176.86 2npf n GLU 133 N -3.51 0.52 0.00 2.37 1.02 -1.26 -4.98 120.64 114.80 2npf n GLU 133 Ca -0.06 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2npf n GLU 133 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2npf n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2npf n GLY 134 N 0.54 0.79 3.70 0.62 0.00 -0.28 -4.37 105.19 106.19 2npf n GLY 134 Ca 0.14 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2npf n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2npf s VAL 135 N 0.00 3.77 0.00 1.61 1.01 -1.26 -4.33 120.40 121.20 2npf s VAL 135 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2npf s VAL 135 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2npf s VAL 135 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.14 2npf h VAL 137 N 0.51 0.00 -0.77 0.00 -1.51 -1.96 -2.75 116.25 109.77 2npf h VAL 137 Ca 0.00 -0.18 0.18 0.00 -1.23 0.00 0.00 66.70 65.47 2npf h VAL 137 Cb 0.00 0.00 -0.05 0.00 -2.13 0.00 0.00 31.29 29.11 2npf h VAL 137 CO 0.00 0.00 0.52 -0.61 -1.23 0.00 0.00 177.57 176.25 2npf h GLN 138 N -0.92 0.25 0.66 5.19 4.15 -1.99 -2.21 115.11 120.23 2npf h GLN 138 Ca -0.08 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 2npf h GLN 138 Cb 0.57 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.21 2npf h GLN 138 CO 0.12 0.16 -0.32 1.15 -1.93 0.00 0.00 178.83 178.02 2npf h THR 139 N 0.25 0.00 0.00 2.39 2.02 -1.90 -3.04 112.91 112.64 2npf h THR 139 Ca 0.38 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.53 2npf h THR 139 Cb 1.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2npf h THR 139 CO -0.09 0.00 0.00 1.05 0.37 0.00 0.00 175.52 176.85 2npf h GLU 140 N -0.92 0.00 -0.13 6.66 4.11 -1.20 -2.08 114.58 121.02 2npf h GLU 140 Ca -0.09 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.14 2npf h GLU 140 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2npf h GLU 140 CO 0.15 0.00 -0.71 1.15 0.07 0.00 0.00 179.01 179.67 2npf h THR 141 N 0.00 1.33 0.09 -1.06 2.02 -1.30 -1.26 112.91 112.73 2npf h THR 141 Ca 0.00 -2.00 -0.27 0.00 0.77 0.00 0.00 66.41 64.91 2npf h THR 141 Cb 0.23 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 2npf h THR 141 CO 0.00 0.62 -1.25 0.58 0.37 0.00 0.00 175.52 175.84 2npf h VAL 142 N 0.42 1.48 -0.49 3.16 2.07 -1.33 -2.57 116.25 118.99 2npf h VAL 142 Ca -0.03 -3.10 -0.08 0.00 0.82 0.00 0.00 66.70 64.31 2npf h VAL 142 Cb 1.31 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.94 2npf h VAL 142 CO 0.14 0.89 -0.02 0.25 0.02 0.00 0.00 177.57 178.84 2npf h LEU 143 N 0.05 0.80 -0.67 2.57 5.85 -1.40 -0.69 115.31 121.82 2npf h LEU 143 Ca -0.13 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 2npf h LEU 143 Cb 1.93 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2npf h LEU 143 CO 0.18 0.88 -0.62 0.03 -0.34 0.00 0.00 178.44 178.57 2npf h ARG 144 N 0.77 0.18 -0.23 1.25 3.08 -1.26 -2.18 114.38 115.99 2npf h ARG 144 Ca 0.14 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2npf h ARG 144 Cb 0.50 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2npf h ARG 144 CO 0.02 0.74 0.03 1.96 -1.07 0.00 0.00 179.97 181.65 2npf h GLN 145 N 0.13 0.38 0.55 0.04 4.20 -0.99 -1.76 115.11 117.66 2npf h GLN 145 Ca -0.01 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2npf h GLN 145 Cb 1.12 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 2npf h GLN 145 CO 0.09 0.53 -0.39 0.00 -0.67 0.00 0.00 178.83 178.39 2npf h ALA 146 N 0.83 -0.94 -1.03 3.87 0.00 -1.02 -0.68 119.26 120.29 2npf h ALA 146 Ca 0.07 -0.17 0.29 0.00 0.00 0.00 0.00 54.91 55.09 2npf h ALA 146 Cb 0.34 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 18.51 2npf h ALA 146 CO 0.01 -1.05 0.61 -0.07 0.00 0.00 0.00 179.25 178.74 2npf h LEU 147 N -0.91 0.57 -0.97 0.00 3.38 -1.39 0.83 115.31 116.82 2npf h LEU 147 Ca -0.06 0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.27 2npf h LEU 147 Cb 0.76 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 2npf h LEU 147 CO 0.03 0.00 0.55 1.23 0.09 0.00 0.00 178.44 180.34 2npf h GLY 148 N 0.44 1.76 -2.73 0.83 0.00 -0.18 0.40 103.07 103.59 2npf h GLY 148 Ca 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2npf h GLY 148 CO -0.50 -0.17 0.00 1.18 0.00 0.00 0.00 176.54 177.05 2npf n GLU 149 N -4.87 3.64 -3.54 4.80 -0.58 0.29 -4.91 120.64 115.47 2npf n GLU 149 Ca 0.24 -2.13 -0.21 0.00 -0.42 0.00 0.00 57.16 54.64 2npf n GLU 149 Cb 0.64 -2.02 0.08 0.00 -0.57 0.00 0.00 31.44 29.58 2npf n GLU 149 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2npf n ARG 150 N 0.42 -7.38 -3.92 3.49 3.00 0.14 -4.99 116.66 107.42 2npf n ARG 150 Ca 0.19 0.83 -0.36 0.00 -0.01 0.00 0.00 57.85 58.50 2npf n ARG 150 Cb 0.89 -5.87 -0.07 0.00 0.00 0.00 0.00 32.46 27.41 2npf n ARG 150 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2npf s ILE 151 N -3.34 5.31 0.00 0.55 1.01 -1.14 -4.97 121.20 118.63 2npf s ILE 151 Ca 0.34 0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.94 2npf s ILE 151 Cb -0.15 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 2npf s ILE 151 CO 0.73 0.58 0.55 -0.75 0.00 0.00 0.00 174.94 176.06 2npf s LYS 152 N -0.71 4.25 0.33 2.79 2.20 -0.86 -4.35 119.74 123.39 2npf s LYS 152 Ca 0.13 0.66 0.07 0.00 -0.36 0.00 0.00 55.97 56.47 2npf s LYS 152 Cb -0.12 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2npf s LYS 152 CO 0.03 0.44 0.34 -1.25 -0.36 0.00 0.00 175.35 174.55 2npf s PRO 153 N -0.40 2.85 -0.04 4.03 0.04 -1.26 -0.77 135.00 139.45 2npf s PRO 153 Ca 0.29 -1.20 -0.10 0.00 0.04 0.00 0.00 61.00 60.03 2npf s PRO 153 Cb -0.18 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.80 2npf s PRO 153 CO 0.16 0.10 0.23 0.14 0.04 0.00 0.00 177.00 177.67 2npf s VAL 154 N -2.26 0.04 0.22 -0.36 -7.23 -0.65 -4.91 120.40 105.24 2npf s VAL 154 Ca 0.42 -0.34 0.09 0.00 -1.81 0.00 0.00 61.98 60.34 2npf s VAL 154 Cb -0.07 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 2npf s VAL 154 CO 0.28 -0.19 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.15 2npf s VAL 155 N -0.72 3.36 -0.22 1.32 1.01 -0.87 0.16 120.40 124.44 2npf s VAL 155 Ca -0.08 -1.74 -0.04 0.00 0.00 0.00 0.00 61.98 60.12 2npf s VAL 155 Cb -0.04 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.69 2npf s VAL 155 CO 0.02 -0.22 0.15 -0.69 0.00 0.00 0.00 175.10 174.35 2npf s VAL 156 N -1.98 -0.17 -0.50 2.92 1.01 -0.52 -0.14 120.40 121.02 2npf s VAL 156 Ca 0.28 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2npf s VAL 156 Cb -0.08 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.59 2npf s VAL 156 CO 0.18 -0.39 1.17 -0.63 0.00 0.00 0.00 175.10 175.42 2npf s ILE 157 N 2.20 4.14 0.44 2.22 1.01 0.67 -1.85 121.20 130.02 2npf s ILE 157 Ca 0.06 1.13 0.08 0.00 0.00 0.00 0.00 60.65 61.92 2npf s ILE 157 Cb -0.16 -4.61 0.01 0.00 0.01 0.00 0.00 42.46 37.71 2npf s ILE 157 CO -0.19 -1.08 0.53 0.21 0.00 0.00 0.00 174.94 174.41 2npf s ASN 158 N 2.67 5.37 -1.17 3.58 2.47 0.42 -1.76 114.94 126.52 2npf s ASN 158 Ca 0.48 -0.60 -0.06 0.00 0.42 0.00 0.00 52.86 53.09 2npf s ASN 158 Cb -0.07 -0.48 0.01 0.00 -1.45 0.00 0.00 41.25 39.25 2npf s ASN 158 CO 0.31 -0.81 1.01 0.29 -3.72 0.00 0.00 177.10 174.18 2npf n LYS 159 N -1.80 -6.79 0.16 0.43 5.02 -0.81 -1.43 118.16 112.94 2npf n LYS 159 Ca 0.07 0.73 0.02 0.00 -2.02 0.00 0.00 58.31 57.11 2npf n LYS 159 Cb 0.60 -5.47 0.22 0.00 -0.02 0.00 0.00 35.03 30.37 2npf n LYS 159 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2npf h VAL 160 N -2.25 1.16 -0.93 -0.18 2.07 -1.69 -2.82 116.25 111.61 2npf h VAL 160 Ca -0.50 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.09 2npf h VAL 160 Cb 1.32 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 2npf h VAL 160 CO 0.48 0.51 0.58 -2.24 0.02 0.00 0.00 177.57 176.92 2npf h ASP 161 N 0.00 1.10 -0.02 0.57 -0.00 -1.90 -2.47 116.42 113.70 2npf h ASP 161 Ca -0.01 -0.05 0.03 0.00 -0.00 0.00 0.00 57.03 57.01 2npf h ASP 161 Cb 1.06 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.33 40.06 2npf h ASP 161 CO 0.07 0.83 -0.36 -0.09 -0.00 0.00 0.00 179.24 179.68 2npf h ARG 162 N 1.28 -0.48 -0.95 4.15 2.43 -1.88 -0.82 114.38 118.09 2npf h ARG 162 Ca 0.34 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.73 2npf h ARG 162 Cb -0.09 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.48 2npf h ARG 162 CO -0.07 -0.32 0.61 0.00 -1.51 0.00 0.00 179.97 178.68 2npf h ALA 163 N 0.17 1.90 -2.34 2.80 0.00 -1.50 -0.42 119.26 119.87 2npf h ALA 163 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2npf h ALA 163 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2npf h ALA 163 CO -0.30 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.02 2npf n LEU 164 N -4.62 2.31 -0.43 0.00 4.77 -0.80 -2.92 117.00 115.31 2npf n LEU 164 Ca 0.21 0.12 0.37 0.00 -0.03 0.00 0.00 56.01 56.67 2npf n LEU 164 Cb 0.60 -0.11 0.64 0.00 -2.33 0.00 0.00 43.42 42.22 2npf n LEU 164 CO 0.27 -0.11 1.19 -0.07 -1.33 0.00 0.00 177.39 177.34 2npf h LEU 165 N 0.00 0.25 0.00 2.23 4.07 -1.23 -0.96 115.31 119.67 2npf h LEU 165 Ca 0.00 0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2npf h LEU 165 Cb 0.00 0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2npf h LEU 165 CO 0.00 -0.27 0.00 -0.62 -1.08 0.00 0.00 178.44 176.47 2npf n GLU 166 N -4.85 0.00 0.09 1.13 1.02 -0.17 -4.60 120.64 113.27 2npf n GLU 166 Ca 0.39 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.61 2npf n GLU 166 Cb 1.44 -0.26 0.26 0.00 -0.02 0.00 0.00 31.44 32.87 2npf n GLU 166 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2npf n LEU 167 N -1.57 0.25 -3.67 -4.62 4.32 -1.15 -4.82 117.00 105.75 2npf n LEU 167 Ca 0.00 0.53 -0.23 0.00 -0.02 0.00 0.00 56.01 56.29 2npf n LEU 167 Cb 0.00 -0.53 0.03 0.00 -1.62 0.00 0.00 43.42 41.31 2npf n LEU 167 CO 0.00 -0.62 -0.07 0.00 -1.22 0.00 0.00 177.39 175.48 2npf n GLN 168 N -1.82 -3.59 -2.06 3.23 1.13 -0.37 -4.92 117.38 109.00 2npf n GLN 168 Ca -0.01 0.59 -0.33 0.00 -1.94 0.00 0.00 57.00 55.31 2npf n GLN 168 Cb 0.17 -4.94 0.01 0.00 0.11 0.00 0.00 30.24 25.59 2npf n GLN 168 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2npf s VAL 169 N -3.62 3.68 0.22 5.09 1.01 -1.16 -5.06 120.40 120.56 2npf s VAL 169 Ca 0.16 0.83 0.05 0.00 0.00 0.00 0.00 61.98 63.02 2npf s VAL 169 Cb -0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2npf s VAL 169 CO 0.82 -0.43 0.31 -0.94 0.00 0.00 0.00 175.10 174.86 2npf s SER 170 N -2.61 6.15 0.13 3.32 1.04 -1.26 -4.94 113.70 115.52 2npf s SER 170 Ca 0.65 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.81 2npf s SER 170 Cb -0.17 -1.77 -0.06 0.00 0.10 0.00 0.00 66.02 64.11 2npf s SER 170 CO 0.35 -0.04 1.58 0.11 0.98 0.00 0.00 173.24 176.23 2npf h LYS 171 N 1.43 -0.49 0.00 4.02 1.57 -1.97 -0.11 116.57 121.02 2npf h LYS 171 Ca -0.51 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 2npf h LYS 171 Cb 1.22 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.64 2npf h LYS 171 CO 0.62 -0.33 -0.08 1.49 -0.57 0.00 0.00 179.45 180.58 2npf h GLU 172 N -0.51 0.00 0.58 3.15 4.57 -1.96 -2.04 114.58 118.37 2npf h GLU 172 Ca 0.07 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2npf h GLU 172 Cb 0.64 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2npf h GLU 172 CO -0.38 0.08 -0.28 -0.44 -1.18 0.00 0.00 179.01 176.81 2npf h ASP 173 N 0.00 -0.66 -0.35 1.04 3.32 -1.58 -2.59 116.42 115.59 2npf h ASP 173 Ca -0.00 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.10 2npf h ASP 173 Cb 0.19 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 2npf h ASP 173 CO 0.01 -0.29 -0.22 0.25 -1.72 0.00 0.00 179.24 177.27 2npf h LEU 174 N -1.11 -0.74 -0.87 1.55 5.85 -0.82 0.76 115.31 119.93 2npf h LEU 174 Ca -0.08 0.15 0.19 0.00 0.84 0.00 0.00 57.88 58.99 2npf h LEU 174 Cb 0.65 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.94 2npf h LEU 174 CO 0.13 -0.25 0.38 0.22 -0.34 0.00 0.00 178.44 178.58 2npf h TYR 175 N -0.17 0.65 -0.42 1.25 3.20 -1.42 0.75 116.97 120.80 2npf h TYR 175 Ca 0.18 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 2npf h TYR 175 Cb 0.45 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2npf h TYR 175 CO -0.43 0.01 0.19 1.96 -1.64 0.00 0.00 178.16 178.25 2npf h GLN 176 N 0.45 0.61 -0.68 1.82 1.08 -0.48 0.37 115.11 118.29 2npf h GLN 176 Ca 0.52 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.65 2npf h GLN 176 Cb 0.91 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.19 2npf h GLN 176 CO -0.48 0.54 0.43 1.15 -0.95 0.00 0.00 178.83 179.52 2npf h THR 177 N 0.54 1.10 0.26 -0.54 2.02 0.24 0.02 112.91 116.54 2npf h THR 177 Ca 0.14 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2npf h THR 177 Cb 0.14 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2npf h THR 177 CO -0.02 0.15 -0.12 -0.26 0.37 0.00 0.00 175.52 175.64 2npf h PHE 178 N 0.84 -0.32 -0.63 3.16 0.04 -0.75 -1.10 116.94 118.19 2npf h PHE 178 Ca 0.27 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.15 2npf h PHE 178 Cb -0.00 0.11 -0.09 0.00 2.20 0.00 0.00 35.95 38.17 2npf h PHE 178 CO -0.04 -0.13 0.16 0.00 -0.60 0.00 0.00 178.31 177.70 2npf h ALA 179 N 0.29 0.77 0.29 2.45 0.00 -0.57 0.15 119.26 122.64 2npf h ALA 179 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2npf h ALA 179 Cb 0.33 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2npf h ALA 179 CO 0.06 -0.29 -0.38 0.00 0.00 0.00 0.00 179.25 178.65 2npf h ARG 180 N 0.30 -0.69 -0.25 0.00 3.08 -0.68 0.18 114.38 116.30 2npf h ARG 180 Ca 0.33 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.48 2npf h ARG 180 Cb 0.49 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 2npf h ARG 180 CO -0.40 -0.46 -0.06 1.15 -1.07 0.00 0.00 179.97 179.13 2npf h THR 181 N -0.72 0.75 -0.87 2.04 2.02 -0.37 0.03 112.91 115.79 2npf h THR 181 Ca -0.01 -0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 2npf h THR 181 Cb 0.67 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 2npf h THR 181 CO -0.12 0.00 0.53 0.58 0.37 0.00 0.00 175.52 176.88 2npf h VAL 182 N 0.00 0.97 -0.10 3.16 2.07 -0.53 -1.70 116.25 120.13 2npf h VAL 182 Ca 0.12 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2npf h VAL 182 Cb 0.18 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2npf h VAL 182 CO -0.26 0.17 0.03 -0.08 0.02 0.00 0.00 177.57 177.45 2npf h GLU 183 N 0.91 0.15 -0.52 1.57 4.22 -0.06 -2.58 114.58 118.27 2npf h GLU 183 Ca 0.40 -0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.90 2npf h GLU 183 Cb 0.29 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 2npf h GLU 183 CO -0.22 0.31 0.11 0.77 -2.18 0.00 0.00 179.01 177.80 2npf h SER 184 N -0.04 0.00 0.50 1.04 0.02 -0.42 -2.11 113.55 112.54 2npf h SER 184 Ca 0.03 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2npf h SER 184 Cb 0.23 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2npf h SER 184 CO -0.00 0.02 -0.47 0.58 -1.14 0.00 0.00 176.83 175.82 2npf h VAL 185 N 0.24 0.07 -0.90 2.27 2.07 -1.24 -1.92 116.25 116.84 2npf h VAL 185 Ca 0.27 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.05 2npf h VAL 185 Cb 0.37 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 2npf h VAL 185 CO -0.35 0.00 0.71 0.78 0.02 0.00 0.00 177.57 178.73 2npf h ASN 186 N -0.97 0.00 0.29 0.57 2.35 -1.04 0.30 115.58 117.09 2npf h ASN 186 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2npf h ASN 186 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2npf h ASN 186 CO -0.05 0.00 -0.14 0.58 -1.65 0.00 0.00 177.43 176.17 2npf h VAL 187 N 0.00 0.74 -0.54 2.81 2.07 -0.70 -0.91 116.25 119.72 2npf h VAL 187 Ca 0.43 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.69 2npf h VAL 187 Cb 1.84 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 2npf h VAL 187 CO -0.00 0.08 0.09 0.40 0.02 0.00 0.00 177.57 178.15 2npf h ILE 188 N -0.59 0.66 0.58 4.57 1.08 -0.20 -1.49 117.51 122.13 2npf h ILE 188 Ca -0.04 -0.08 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 2npf h ILE 188 Cb 0.43 0.42 0.01 0.00 -3.07 0.00 0.00 36.82 34.60 2npf h ILE 188 CO 0.07 0.04 -0.28 0.58 -0.69 0.00 0.00 178.15 177.87 2npf h VAL 189 N 0.22 0.00 -0.91 1.67 2.07 -0.98 -2.38 116.25 115.95 2npf h VAL 189 Ca 0.28 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.80 2npf h VAL 189 Cb 0.40 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 2npf h VAL 189 CO -0.38 0.00 0.60 0.77 0.02 0.00 0.00 177.57 178.58 2npf h SER 190 N -0.79 1.03 0.36 0.57 4.64 -1.16 0.95 113.55 119.15 2npf h SER 190 Ca -0.08 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 2npf h SER 190 Cb 0.60 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2npf h SER 190 CO 0.13 0.74 -0.07 0.74 -0.87 0.00 0.00 176.83 177.50 2npf h THR 191 N 1.22 0.39 0.00 2.95 2.02 -1.30 -3.35 112.91 114.83 2npf h THR 191 Ca 0.33 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2npf h THR 191 Cb -0.13 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2npf h THR 191 CO -0.08 0.07 -0.81 -1.22 0.37 0.00 0.00 175.52 173.85 2npf n TYR 192 N -3.49 0.00 -1.78 3.16 4.01 -0.64 -5.07 117.16 113.35 2npf n TYR 192 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 2npf n TYR 192 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.27 2npf n TYR 192 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2npf s ALA 193 N -1.81 2.97 0.59 -0.72 0.00 0.32 -4.93 121.76 118.18 2npf s ALA 193 Ca 0.00 1.39 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 2npf s ALA 193 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2npf s ALA 193 CO 0.00 -1.32 1.18 -0.51 0.00 0.00 0.00 175.76 175.11 2npf s ASP 194 N -0.78 5.25 0.20 0.00 1.11 -1.26 -4.91 116.67 116.28 2npf s ASP 194 Ca 0.68 2.31 0.26 0.00 0.18 0.00 0.00 52.55 55.98 2npf s ASP 194 Cb -0.42 -2.59 0.84 0.00 1.07 0.00 0.00 42.92 41.82 2npf s ASP 194 CO 0.51 -1.55 1.78 -0.62 1.18 0.00 0.00 175.17 176.47 2npf n GLU 195 N -1.64 0.25 0.00 8.23 1.02 -1.26 -3.21 120.64 124.03 2npf n GLU 195 Ca 0.13 0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.57 2npf n GLU 195 Cb 0.50 -1.80 0.47 0.00 -0.02 0.00 0.00 31.44 30.59 2npf n GLU 195 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2npf n VAL 196 N -2.23 0.35 -0.02 2.62 0.31 -1.26 -2.72 118.33 115.38 2npf n VAL 196 Ca 0.05 0.09 0.03 0.00 -0.01 0.00 0.00 64.34 64.50 2npf n VAL 196 Cb 0.42 -0.80 -0.08 0.00 -0.91 0.00 0.00 33.84 32.46 2npf n VAL 196 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2npf n LEU 197 N -1.20 0.00 0.00 7.52 4.32 -1.20 -5.04 117.00 121.40 2npf n LEU 197 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 2npf n LEU 197 Cb 0.12 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2npf n LEU 197 CO 0.12 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 2npf n GLY 198 N 2.05 0.23 3.46 -0.72 0.00 -1.10 -4.80 105.19 104.30 2npf n GLY 198 Ca -0.06 -1.75 -0.46 0.00 0.00 0.00 0.00 46.02 43.76 2npf n GLY 198 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2npf n ASP 199 N -0.85 1.41 -1.55 1.61 2.03 -1.26 -4.75 116.55 113.19 2npf n ASP 199 Ca 0.00 0.17 0.10 0.00 0.52 0.00 0.00 54.79 55.58 2npf n ASP 199 Cb 0.00 -1.18 0.35 0.00 -0.72 0.00 0.00 41.12 39.58 2npf n ASP 199 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2npf n VAL 200 N 7.38 1.72 -0.75 5.18 3.14 -1.26 -4.99 118.33 128.75 2npf n VAL 200 Ca 0.50 -1.18 -0.31 0.00 -2.96 0.00 0.00 64.34 60.40 2npf n VAL 200 Cb 0.20 0.18 0.17 0.00 -1.06 0.00 0.00 33.84 33.33 2npf n VAL 200 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2npf s GLN 201 N -1.73 0.84 -0.09 1.45 -0.21 -1.26 -4.75 119.66 113.91 2npf s GLN 201 Ca 0.51 1.37 -0.08 0.00 0.02 0.00 0.00 55.36 57.19 2npf s GLN 201 Cb 0.32 -1.72 -0.04 0.00 1.00 0.00 0.00 33.01 32.57 2npf s GLN 201 CO 0.26 -2.70 0.18 0.08 -2.12 0.00 0.00 175.29 171.00 2npf s VAL 202 N -2.66 5.43 -0.16 1.09 1.01 -1.26 -5.10 120.40 118.76 2npf s VAL 202 Ca 0.66 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 2npf s VAL 202 Cb -0.22 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.74 2npf s VAL 202 CO 0.59 0.58 -0.04 -0.31 0.00 0.00 0.00 175.10 175.92 2npf s TYR 203 N -1.07 1.50 0.26 5.22 4.12 -1.26 -4.94 117.35 121.18 2npf s TYR 203 Ca 0.18 -0.95 -0.01 0.00 0.02 0.00 0.00 57.07 56.31 2npf s TYR 203 Cb -0.13 -1.22 0.52 0.00 -1.52 0.00 0.00 41.96 39.61 2npf s TYR 203 CO 0.07 -0.58 1.77 -1.35 0.02 0.00 0.00 175.55 175.48 2npf h PRO 204 N 8.16 0.65 -0.48 -1.71 0.11 -1.90 -1.67 132.00 135.16 2npf h PRO 204 Ca -0.23 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.85 2npf h PRO 204 Cb 1.11 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2npf h PRO 204 CO 0.38 0.43 0.31 0.00 -0.21 0.00 0.00 178.00 178.91 2npf h ALA 205 N 1.54 0.61 0.00 -0.75 0.00 -1.95 -1.68 119.26 117.04 2npf h ALA 205 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2npf h ALA 205 Cb 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2npf h ALA 205 CO -0.34 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.49 2npf n ARG 206 N -4.76 0.59 -1.40 0.00 5.12 -0.65 -4.64 116.66 110.92 2npf n ARG 206 Ca 0.02 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.92 2npf n ARG 206 Cb 0.03 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 2npf n ARG 206 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2npf n GLY 207 N 0.17 0.44 1.20 -0.13 0.00 -0.63 -4.96 105.19 101.29 2npf n GLY 207 Ca 0.12 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.28 2npf n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2npf n THR 208 N -3.32 1.87 -4.09 2.61 -2.24 -1.06 -4.76 114.28 103.29 2npf n THR 208 Ca -0.02 -1.38 -0.19 0.00 -2.27 0.00 0.00 64.05 60.19 2npf n THR 208 Cb 0.22 0.06 -0.16 0.00 -2.10 0.00 0.00 70.33 68.35 2npf n THR 208 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2npf s VAL 209 N -2.03 0.42 0.25 2.28 1.01 -1.26 -2.06 120.40 119.01 2npf s VAL 209 Ca 0.43 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.45 2npf s VAL 209 Cb 0.30 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2npf s VAL 209 CO 0.17 0.20 -0.09 0.00 0.00 0.00 0.00 175.10 175.38 2npf s ALA 210 N 0.93 2.97 -0.02 5.51 0.00 0.80 -4.52 121.76 127.44 2npf s ALA 210 Ca -0.11 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.18 2npf s ALA 210 Cb -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.39 2npf s ALA 210 CO -0.00 0.31 -0.06 -0.06 0.00 0.00 0.00 175.76 175.95 2npf s PHE 211 N -2.23 0.64 -2.68 0.00 0.08 -0.36 -0.24 117.98 113.18 2npf s PHE 211 Ca 0.29 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.21 2npf s PHE 211 Cb -0.06 -0.46 0.00 0.00 -0.57 0.00 0.00 43.02 41.92 2npf s PHE 211 CO 0.17 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.64 2npf n GLY 212 N 3.22 -1.28 2.91 4.36 0.00 -0.72 0.22 105.19 113.89 2npf n GLY 212 Ca -0.17 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 2npf n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2npf s SER 213 N -4.00 3.76 0.24 1.61 0.15 0.76 -1.92 113.70 114.30 2npf s SER 213 Ca 0.00 -1.17 -0.05 0.00 0.70 0.00 0.00 55.95 55.42 2npf s SER 213 Cb 0.00 -1.10 0.32 0.00 -1.71 0.00 0.00 66.02 63.53 2npf s SER 213 CO 0.00 -0.25 1.86 1.23 1.20 0.00 0.00 173.24 177.28 2npf h GLY 214 N 7.99 1.32 0.96 9.45 0.00 -1.94 -2.09 103.07 118.75 2npf h GLY 214 Ca -0.17 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 2npf h GLY 214 CO 0.41 0.30 -0.09 -2.00 0.00 0.00 0.00 176.54 175.16 2npf h LEU 215 N 1.03 -0.21 -0.13 3.11 5.85 -1.94 -2.87 115.31 120.15 2npf h LEU 215 Ca 0.37 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2npf h LEU 215 Cb 0.12 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2npf h LEU 215 CO -0.16 -0.11 0.00 1.41 -0.34 0.00 0.00 178.44 179.24 2npf n HIS 216 N -5.18 0.26 -2.13 1.25 8.25 -1.13 -4.93 115.22 111.61 2npf n HIS 216 Ca -0.09 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2npf n HIS 216 Cb 0.14 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.60 2npf n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2npf n GLY 217 N 0.54 0.92 3.29 -1.41 0.00 -0.80 -4.58 105.19 103.14 2npf n GLY 217 Ca 0.04 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 2npf n GLY 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2npf s TRP 218 N -2.76 -0.30 0.13 1.61 1.48 -1.09 -2.83 118.94 115.17 2npf s TRP 218 Ca 0.00 0.53 -0.26 0.00 -1.06 0.00 0.00 56.10 55.32 2npf s TRP 218 Cb 0.00 0.15 0.07 0.00 -1.16 0.00 0.00 33.47 32.53 2npf s TRP 218 CO 0.00 -0.39 0.93 0.00 -4.06 0.00 0.00 176.95 173.43 2npf s ALA 219 N -1.04 -1.68 0.23 2.67 0.00 0.28 -0.17 121.76 122.05 2npf s ALA 219 Ca -0.11 0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.98 2npf s ALA 219 Cb -0.04 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.70 2npf s ALA 219 CO 0.04 -0.97 0.54 -0.59 0.00 0.00 0.00 175.76 174.79 2npf s PHE 220 N -3.28 0.05 0.13 0.00 -0.12 0.13 -4.40 117.98 110.50 2npf s PHE 220 Ca 0.11 -0.42 0.06 0.00 -0.05 0.00 0.00 56.93 56.62 2npf s PHE 220 Cb -0.01 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2npf s PHE 220 CO -0.00 -1.01 -0.13 0.95 -0.05 0.00 0.00 175.22 174.98 2npf s THR 221 N -3.94 1.34 0.22 -4.49 -4.23 -1.26 -1.23 115.64 102.05 2npf s THR 221 Ca 0.14 -1.82 -0.08 0.00 -1.18 0.00 0.00 61.69 58.75 2npf s THR 221 Cb -0.02 -1.63 0.16 0.00 1.34 0.00 0.00 72.50 72.35 2npf s THR 221 CO 0.04 -0.49 1.81 0.40 -0.54 0.00 0.00 174.62 175.83 2npf h ILE 222 N 3.30 0.97 -0.65 2.99 5.03 -1.79 -2.21 117.51 125.14 2npf h ILE 222 Ca -0.39 -0.25 0.11 0.00 -0.12 0.00 0.00 64.86 64.21 2npf h ILE 222 Cb 1.20 0.18 -0.08 0.00 -3.03 0.00 0.00 36.82 35.09 2npf h ILE 222 CO 0.54 0.13 0.22 -0.09 -0.68 0.00 0.00 178.15 178.27 2npf h ARG 223 N 0.72 0.37 -0.37 2.37 2.43 -1.83 0.32 114.38 118.39 2npf h ARG 223 Ca 0.32 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.53 2npf h ARG 223 Cb 0.20 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 2npf h ARG 223 CO -0.19 0.24 0.02 1.96 -1.51 0.00 0.00 179.97 180.49 2npf h GLN 224 N 0.38 0.12 0.23 0.20 4.20 -1.81 0.19 115.11 118.62 2npf h GLN 224 Ca 0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 2npf h GLN 224 Cb 0.47 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2npf h GLN 224 CO -0.36 0.08 -0.11 0.74 -0.67 0.00 0.00 178.83 178.51 2npf h PHE 225 N 0.13 -0.28 -0.96 2.96 0.04 -1.35 -2.21 116.94 115.27 2npf h PHE 225 Ca 0.18 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 61.10 2npf h PHE 225 Cb 0.24 0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.40 2npf h PHE 225 CO -0.24 0.02 0.60 0.00 -0.60 0.00 0.00 178.31 178.09 2npf h ALA 226 N 0.11 1.73 -0.28 2.45 0.00 -0.70 0.15 119.26 122.71 2npf h ALA 226 Ca -0.03 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2npf h ALA 226 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2npf h ALA 226 CO 0.05 -0.01 -0.26 1.15 0.00 0.00 0.00 179.25 180.19 2npf h THR 227 N 0.78 1.30 0.76 0.00 2.02 -0.56 -1.90 112.91 115.32 2npf h THR 227 Ca 0.50 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 2npf h THR 227 Cb 0.73 1.58 0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2npf h THR 227 CO -0.26 0.45 -0.36 -0.09 0.37 0.00 0.00 175.52 175.63 2npf h ARG 228 N 0.41 -0.98 0.00 6.66 2.43 -0.58 -1.60 114.38 120.72 2npf h ARG 228 Ca 0.05 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2npf h ARG 228 Cb 0.82 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2npf h ARG 228 CO 0.07 -0.63 0.00 0.66 -1.51 0.00 0.00 179.97 178.55 2npf n TYR 229 N -5.48 0.00 0.58 2.20 4.01 0.40 -1.67 117.16 117.21 2npf n TYR 229 Ca -0.14 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.68 2npf n TYR 229 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 2npf n TYR 229 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2npf n ALA 230 N -0.52 3.74 -0.01 -0.72 0.00 -0.61 -4.42 120.51 117.97 2npf n ALA 230 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2npf n ALA 230 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2npf n ALA 230 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2npf n LYS 231 N -1.53 1.62 -0.08 0.00 5.02 -0.67 -3.11 118.16 119.41 2npf n LYS 231 Ca 0.02 -0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 2npf n LYS 231 Cb 0.29 -1.09 0.51 0.00 -0.02 0.00 0.00 35.03 34.71 2npf n LYS 231 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2npf h LYS 232 N 0.00 0.38 -1.76 1.97 1.63 -1.73 -3.32 116.57 113.75 2npf h LYS 232 Ca -0.05 -0.02 -0.31 0.00 -0.85 0.00 0.00 60.65 59.42 2npf h LYS 232 Cb 0.66 -0.09 -0.29 0.00 -0.60 0.00 0.00 32.23 31.91 2npf h LYS 232 CO 0.00 0.25 -0.65 -0.59 -3.45 0.00 0.00 179.45 175.02 2npf s PHE 233 N -5.38 -0.54 -0.00 1.91 -0.12 -1.26 -5.09 117.98 107.49 2npf s PHE 233 Ca -0.08 -0.70 -0.00 0.00 -0.05 0.00 0.00 56.93 56.11 2npf s PHE 233 Cb 0.20 -0.27 -0.00 0.00 -0.63 0.00 0.00 43.02 42.32 2npf s PHE 233 CO 0.75 -1.01 0.00 0.41 -0.05 0.00 0.00 175.22 175.31 2npf n GLY 234 N 4.14 -0.00 3.49 1.99 0.00 -1.25 -4.80 105.19 108.76 2npf n GLY 234 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2npf n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2npf s VAL 235 N 0.01 -0.00 0.32 1.61 1.01 -1.18 -5.05 120.40 117.12 2npf s VAL 235 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 2npf s VAL 235 Cb -0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 2npf s VAL 235 CO 0.00 0.00 1.32 1.51 0.00 0.00 0.00 175.10 177.94 2npf s ASP 236 N 0.57 6.75 -0.01 3.32 3.84 -1.26 -4.65 116.67 125.22 2npf s ASP 236 Ca -0.02 2.69 -0.23 0.00 -0.00 0.00 0.00 52.55 54.99 2npf s ASP 236 Cb -0.05 -2.65 -0.20 0.00 -1.38 0.00 0.00 42.92 38.65 2npf s ASP 236 CO -0.03 -0.56 1.19 0.07 -0.00 0.00 0.00 175.17 175.85 2npf h LYS 237 N 3.54 0.20 -0.93 2.11 2.10 -1.89 -2.83 116.57 118.87 2npf h LYS 237 Ca -0.49 -0.14 0.08 0.00 -2.00 0.00 0.00 60.65 58.10 2npf h LYS 237 Cb 1.23 0.02 -0.11 0.00 -0.90 0.00 0.00 32.23 32.47 2npf h LYS 237 CO 0.67 0.76 -0.56 0.00 -2.00 0.00 0.00 179.45 178.32 2npf h ALA 238 N 0.44 -0.53 -0.23 0.07 0.00 -1.95 0.26 119.26 117.32 2npf h ALA 238 Ca -0.00 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2npf h ALA 238 Cb 0.77 1.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 2npf h ALA 238 CO 0.03 -0.92 -0.06 -0.22 0.00 0.00 0.00 179.25 178.08 2npf h LYS 239 N -0.01 0.00 -0.41 0.00 1.63 -1.98 -3.00 116.57 112.80 2npf h LYS 239 Ca 0.15 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.00 2npf h LYS 239 Cb 0.39 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.98 2npf h LYS 239 CO -0.88 0.00 0.14 1.98 -3.45 0.00 0.00 179.45 177.24 2npf h MET 240 N 0.00 0.29 0.00 1.90 4.05 -0.51 -2.35 114.93 118.31 2npf h MET 240 Ca 0.11 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 2npf h MET 240 Cb 0.17 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2npf h MET 240 CO -0.24 0.19 -0.10 0.00 0.23 0.00 0.00 176.91 176.99 2npf h MET 241 N 0.30 0.00 0.00 0.39 -0.00 -0.51 -1.54 114.93 113.57 2npf h MET 241 Ca 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.79 2npf h MET 241 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 2npf h MET 241 CO -0.20 0.10 -0.45 -0.44 -0.00 0.00 0.00 176.91 175.93 2npf h ASP 242 N 0.00 0.00 0.26 -0.10 3.32 -1.32 -3.09 116.42 115.50 2npf h ASP 242 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2npf h ASP 242 Cb 0.41 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.00 2npf h ASP 242 CO 0.01 0.45 -1.47 0.03 -1.72 0.00 0.00 179.24 176.54 2npf h ARG 243 N 0.00 0.55 0.00 3.56 3.08 -1.22 -3.30 114.38 117.05 2npf h ARG 243 Ca -0.00 -0.93 0.00 0.00 0.07 0.00 0.00 59.98 59.12 2npf h ARG 243 Cb 0.84 0.34 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2npf h ARG 243 CO 0.06 1.44 0.00 1.28 -1.07 0.00 0.00 179.97 181.68 2npf n LEU 244 N -3.72 0.00 -3.68 3.04 4.77 -0.83 -4.45 117.00 112.12 2npf n LEU 244 Ca -0.17 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.67 2npf n LEU 244 Cb 1.10 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.11 2npf n LEU 244 CO 0.61 0.00 0.19 0.86 -1.33 0.00 0.00 177.39 177.72 2npf s TRP 245 N -2.00 -0.48 0.00 -1.77 -0.11 -1.24 -3.50 118.94 109.84 2npf s TRP 245 Ca 0.00 1.04 0.00 0.00 1.22 0.00 0.00 56.10 58.36 2npf s TRP 245 Cb 0.00 0.21 0.00 0.00 -1.50 0.00 0.00 33.47 32.18 2npf s TRP 245 CO 0.00 -0.36 0.00 0.41 -4.62 0.00 0.00 176.95 172.38 2npf n GLY 246 N 2.07 -0.38 2.89 5.86 0.00 -1.26 -4.50 105.19 109.87 2npf n GLY 246 Ca -0.16 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 2npf n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2npf n ASP 247 N 0.55 5.81 -4.00 1.61 8.00 -1.26 -4.72 116.55 122.53 2npf n ASP 247 Ca 0.00 -3.25 -0.22 0.00 0.71 0.00 0.00 54.79 52.03 2npf n ASP 247 Cb 0.00 -1.38 -0.16 0.00 -0.02 0.00 0.00 41.12 39.56 2npf n ASP 247 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2npf s SER 248 N -0.27 1.41 0.16 -2.24 0.01 -1.26 -4.50 113.70 107.00 2npf s SER 248 Ca 0.37 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.46 2npf s SER 248 Cb 0.09 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2npf s SER 248 CO 0.04 0.04 -0.12 -0.36 0.41 0.00 0.00 173.24 173.25 2npf s PHE 249 N 0.43 1.41 -0.28 2.43 0.08 0.47 -1.14 117.98 121.38 2npf s PHE 249 Ca -0.08 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.30 2npf s PHE 249 Cb -0.12 -0.70 0.08 0.00 -0.57 0.00 0.00 43.02 41.72 2npf s PHE 249 CO 0.02 0.17 0.03 0.12 -0.10 0.00 0.00 175.22 175.46 2npf s PHE 250 N -3.04 2.30 -0.25 0.36 5.36 -1.25 -1.12 117.98 120.33 2npf s PHE 250 Ca 0.17 -1.93 -0.29 0.00 -0.96 0.00 0.00 56.93 53.92 2npf s PHE 250 Cb 0.00 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.81 2npf s PHE 250 CO 0.03 -0.84 1.43 1.21 -1.46 0.00 0.00 175.22 175.60 2npf s ASN 251 N 1.42 6.57 0.20 6.13 3.84 -0.92 -4.83 114.94 127.35 2npf s ASN 251 Ca 0.04 1.43 -0.10 0.00 0.21 0.00 0.00 52.86 54.44 2npf s ASN 251 Cb -0.18 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.21 2npf s ASN 251 CO -0.14 -1.13 1.78 -0.65 -2.79 0.00 0.00 177.10 174.17 2npf h PRO 252 N 9.82 0.53 0.54 0.43 0.11 -1.97 0.19 132.00 141.65 2npf h PRO 252 Ca -0.29 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 2npf h PRO 252 Cb 1.12 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.12 2npf h PRO 252 CO 1.01 0.35 -0.26 -0.22 -0.21 0.00 0.00 178.00 178.68 2npf h LYS 253 N 0.55 -0.70 0.00 1.05 3.64 -1.97 -3.13 116.57 116.01 2npf h LYS 253 Ca 0.29 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2npf h LYS 253 Cb 0.24 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2npf h LYS 253 CO -0.22 -0.47 0.00 1.79 -2.27 0.00 0.00 179.45 178.28 2npf h THR 254 N -0.82 0.00 -3.48 1.00 1.35 -1.97 -3.45 112.91 105.54 2npf h THR 254 Ca -0.07 -0.22 -0.40 0.00 -0.55 0.00 0.00 66.41 65.16 2npf h THR 254 Cb 0.56 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2npf h THR 254 CO 0.12 0.00 -0.55 0.29 -0.25 0.00 0.00 175.52 175.13 2npf n LYS 255 N -2.92 -2.90 -4.14 4.72 4.76 0.66 -4.98 118.16 113.36 2npf n LYS 255 Ca -0.01 0.95 -0.10 0.00 -2.87 0.00 0.00 58.31 56.27 2npf n LYS 255 Cb 0.17 -5.65 -0.10 0.00 -1.84 0.00 0.00 35.03 27.61 2npf n LYS 255 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2npf s LYS 256 N -5.28 0.76 -0.06 1.97 1.02 -1.21 -4.99 119.74 111.95 2npf s LYS 256 Ca 0.12 -1.24 -0.19 0.00 0.02 0.00 0.00 55.97 54.68 2npf s LYS 256 Cb -0.05 -0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 2npf s LYS 256 CO 0.15 -0.02 0.51 -1.58 -0.92 0.00 0.00 175.35 173.49 2npf s TRP 257 N -3.36 3.60 0.21 3.18 0.52 -1.26 -2.16 118.94 119.67 2npf s TRP 257 Ca 0.08 1.02 0.07 0.00 0.02 0.00 0.00 56.10 57.29 2npf s TRP 257 Cb 0.04 -2.54 -0.05 0.00 -1.15 0.00 0.00 33.47 29.76 2npf s TRP 257 CO -0.05 0.29 -0.12 -0.08 0.02 0.00 0.00 176.95 177.01 2npf s THR 258 N 0.14 1.62 -0.23 2.01 -1.32 -0.28 -4.97 115.64 112.62 2npf s THR 258 Ca 0.28 -2.17 0.12 0.00 -1.21 0.00 0.00 61.69 58.71 2npf s THR 258 Cb -0.16 -2.11 0.47 0.00 -1.51 0.00 0.00 72.50 69.19 2npf s THR 258 CO 0.13 -0.55 1.38 0.59 -2.21 0.00 0.00 174.62 173.97 2npf n ASN 259 N -0.40 2.68 -4.12 8.08 3.02 -1.26 -0.40 115.26 122.86 2npf n ASN 259 Ca -0.08 -3.53 -0.30 0.00 -0.03 0.00 0.00 54.58 50.64 2npf n ASN 259 Cb 0.61 -0.57 -0.17 0.00 -0.61 0.00 0.00 39.78 39.04 2npf n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2npf s LYS 260 N -3.10 2.61 0.00 3.52 -0.14 -1.26 -4.90 119.74 116.46 2npf s LYS 260 Ca 0.41 -0.71 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 2npf s LYS 260 Cb 0.37 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 34.40 2npf s LYS 260 CO 0.01 0.00 0.27 -0.40 -0.76 0.00 0.00 175.35 174.47 2npf n ASP 261 N 4.02 0.54 -3.63 2.83 5.75 -1.26 -4.56 116.55 120.23 2npf n ASP 261 Ca -0.20 -1.06 -0.14 0.00 -0.01 0.00 0.00 54.79 53.38 2npf n ASP 261 Cb 0.52 -0.26 -0.07 0.00 -1.03 0.00 0.00 41.12 40.27 2npf n ASP 261 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2npf s THR 262 N -0.99 0.00 0.37 2.12 -4.23 -1.26 -3.89 115.64 107.77 2npf s THR 262 Ca 0.00 -0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.45 2npf s THR 262 Cb 0.00 -0.95 0.08 0.00 1.34 0.00 0.00 72.50 72.98 2npf s THR 262 CO 0.00 -0.00 0.51 -0.67 -0.54 0.00 0.00 174.62 173.92 2npf n ASP 263 N 2.43 0.19 -0.29 3.99 -0.08 0.20 -4.81 116.55 118.18 2npf n ASP 263 Ca -0.15 -1.28 0.03 0.00 -1.51 0.00 0.00 54.79 51.88 2npf n ASP 263 Cb 0.56 -0.38 0.17 0.00 2.34 0.00 0.00 41.12 43.81 2npf n ASP 263 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2npf h ALA 264 N -1.50 1.18 0.00 -1.67 0.00 -1.99 0.50 119.26 115.77 2npf h ALA 264 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2npf h ALA 264 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2npf h ALA 264 CO 0.13 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.85 2npf n GLU 265 N -4.76 0.98 0.00 0.00 4.71 -1.26 -4.84 120.64 115.47 2npf n GLU 265 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 2npf n GLU 265 Cb 0.29 -1.13 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 2npf n GLU 265 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2npf n GLY 266 N 0.60 2.52 3.77 0.62 0.00 0.17 -4.99 105.19 107.89 2npf n GLY 266 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2npf n GLY 266 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2npf n LYS 267 N -1.99 2.56 -1.67 1.61 2.85 -1.26 -4.20 118.16 116.06 2npf n LYS 267 Ca 0.00 0.90 -0.44 0.00 -1.05 0.00 0.00 58.31 57.72 2npf n LYS 267 Cb 0.00 -2.63 -0.02 0.00 -0.65 0.00 0.00 35.03 31.73 2npf n LYS 267 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2npf n PRO 268 N 0.36 2.00 -4.82 -1.58 -0.02 -1.26 -0.63 135.00 129.05 2npf n PRO 268 Ca 0.02 0.71 -0.27 0.00 -2.02 0.00 0.00 63.50 61.94 2npf n PRO 268 Cb 0.39 -2.31 -0.15 0.00 -0.02 0.00 0.00 33.50 31.41 2npf n PRO 268 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2npf s LEU 269 N -0.27 2.13 0.10 2.45 1.43 -1.25 -4.85 118.68 118.42 2npf s LEU 269 Ca 0.63 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.99 2npf s LEU 269 Cb -0.63 -1.09 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 2npf s LEU 269 CO 0.55 0.21 0.72 -0.70 0.23 0.00 0.00 176.35 177.36 2npf s GLU 270 N -1.02 4.45 0.45 1.70 2.12 -1.26 -4.83 118.70 120.32 2npf s GLU 270 Ca 0.09 1.01 -0.25 0.00 0.36 0.00 0.00 54.97 56.17 2npf s GLU 270 Cb -0.09 -3.30 -0.09 0.00 0.26 0.00 0.00 34.13 30.92 2npf s GLU 270 CO 0.01 0.48 1.44 -2.13 -0.54 0.00 0.00 175.26 174.52 2npf n ARG 271 N 2.09 2.30 -0.20 4.30 0.63 -1.26 -3.87 116.66 120.64 2npf n ARG 271 Ca -0.06 0.82 0.01 0.00 -0.92 0.00 0.00 57.85 57.70 2npf n ARG 271 Cb 0.50 -2.64 0.11 0.00 0.45 0.00 0.00 32.46 30.87 2npf n ARG 271 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2npf h ALA 272 N 2.35 0.69 -0.22 5.13 0.00 -1.36 0.13 119.26 125.97 2npf h ALA 272 Ca -0.51 0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2npf h ALA 272 Cb 1.27 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2npf h ALA 272 CO 0.61 -0.32 -0.12 0.35 0.00 0.00 0.00 179.25 179.77 2npf h PHE 273 N 0.23 -0.29 -0.18 0.00 3.57 -1.77 -0.75 116.94 117.75 2npf h PHE 273 Ca 0.31 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.71 2npf h PHE 273 Cb 0.47 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2npf h PHE 273 CO -0.26 -0.18 -0.44 -0.91 -2.23 0.00 0.00 178.31 174.29 2npf h ASN 274 N -0.10 0.46 0.30 0.41 4.21 -1.75 -1.75 115.58 117.36 2npf h ASN 274 Ca 0.12 -0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 2npf h ASN 274 Cb 0.28 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2npf h ASN 274 CO -0.29 0.84 -0.15 -0.03 -1.29 0.00 0.00 177.43 176.52 2npf h MET 275 N 0.35 -0.39 0.00 0.81 4.05 -0.26 -0.84 114.93 118.65 2npf h MET 275 Ca 0.03 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 2npf h MET 275 Cb 0.91 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.79 2npf h MET 275 CO 0.08 -0.06 -1.59 1.19 0.23 0.00 0.00 176.91 176.76 2npf n PHE 276 N -5.10 0.46 -0.01 1.39 3.72 -0.33 -4.34 117.46 113.24 2npf n PHE 276 Ca -0.09 0.14 -0.02 0.00 -0.05 0.00 0.00 57.45 57.43 2npf n PHE 276 Cb 0.27 -0.76 -0.01 0.00 -0.94 0.00 0.00 39.48 38.04 2npf n PHE 276 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2npf n ILE 277 N -2.50 0.47 -0.12 4.37 -0.00 -0.73 -4.58 119.36 116.26 2npf n ILE 277 Ca -0.05 0.30 -0.05 0.00 -0.00 0.00 0.00 62.75 62.96 2npf n ILE 277 Cb 0.62 -1.59 0.03 0.00 -0.00 0.00 0.00 39.64 38.70 2npf n ILE 277 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2npf h LEU 278 N -0.22 0.00 -0.15 1.39 3.38 -1.45 -3.07 115.31 115.19 2npf h LEU 278 Ca 0.00 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2npf h LEU 278 Cb 0.22 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2npf h LEU 278 CO 0.00 0.04 -0.32 -0.78 0.09 0.00 0.00 178.44 177.47 2npf h ASP 279 N 0.21 -1.01 -0.81 -0.43 3.58 -1.34 0.15 116.42 116.77 2npf h ASP 279 Ca 0.20 0.15 0.15 0.00 0.42 0.00 0.00 57.03 57.95 2npf h ASP 279 Cb 0.24 0.43 -0.10 0.00 1.72 0.00 0.00 39.33 41.62 2npf h ASP 279 CO -0.26 -0.36 0.37 -0.65 -2.88 0.00 0.00 179.24 175.46 2npf h PRO 280 N -0.39 0.50 0.40 0.28 0.11 -1.78 0.36 132.00 131.49 2npf h PRO 280 Ca 0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 2npf h PRO 280 Cb 0.55 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2npf h PRO 280 CO -0.37 0.33 -0.19 0.82 -0.21 0.00 0.00 178.00 178.38 2npf h ILE 281 N 0.52 0.60 -0.93 4.15 1.08 -1.13 -2.49 117.51 119.31 2npf h ILE 281 Ca 0.45 -0.22 0.11 0.00 -0.39 0.00 0.00 64.86 64.81 2npf h ILE 281 Cb 0.68 0.71 -0.08 0.00 -3.07 0.00 0.00 36.82 35.07 2npf h ILE 281 CO -0.40 0.04 0.56 -0.26 -0.69 0.00 0.00 178.15 177.40 2npf h PHE 282 N -0.67 1.01 -0.30 1.37 -1.00 -0.07 -2.02 116.94 115.26 2npf h PHE 282 Ca -0.06 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 2npf h PHE 282 Cb 0.49 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 2npf h PHE 282 CO -0.02 0.41 0.16 0.00 -1.61 0.00 0.00 178.31 177.25 2npf h ARG 283 N 0.90 0.42 -0.78 1.51 3.08 -0.89 -2.28 114.38 116.34 2npf h ARG 283 Ca 0.45 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.53 2npf h ARG 283 Cb 0.43 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 2npf h ARG 283 CO -0.26 0.37 0.51 -0.07 -1.07 0.00 0.00 179.97 179.45 2npf h LEU 284 N 0.36 0.69 -0.06 3.04 3.38 -0.90 -0.28 115.31 121.54 2npf h LEU 284 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2npf h LEU 284 Cb 0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2npf h LEU 284 CO -0.02 0.43 -0.06 -0.26 0.09 0.00 0.00 178.44 178.63 2npf h PHE 285 N 0.78 0.17 0.13 1.13 0.05 -1.18 -2.59 116.94 115.43 2npf h PHE 285 Ca 0.35 -0.05 -0.01 0.00 3.82 0.00 0.00 57.97 62.08 2npf h PHE 285 Cb 0.33 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.25 2npf h PHE 285 CO -0.00 0.59 -0.06 1.15 -0.18 0.00 0.00 178.31 179.80 2npf h THR 286 N -0.29 0.87 0.00 -1.55 2.02 -0.94 0.37 112.91 113.39 2npf h THR 286 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2npf h THR 286 Cb 0.56 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2npf h THR 286 CO 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 2npf h ALA 287 N 0.70 1.38 0.00 6.16 0.00 -1.13 -1.83 119.26 124.54 2npf h ALA 287 Ca -0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 2npf h ALA 287 Cb 0.14 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2npf h ALA 287 CO 0.02 0.02 -1.62 -0.89 0.00 0.00 0.00 179.25 176.78 2npf n ILE 288 N -3.65 1.51 0.43 0.00 2.08 -0.97 -2.05 119.36 116.72 2npf n ILE 288 Ca -0.03 -0.10 0.05 0.00 0.56 0.00 0.00 62.75 63.23 2npf n ILE 288 Cb 0.10 -2.09 0.25 0.00 -0.75 0.00 0.00 39.64 37.15 2npf n ILE 288 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 2npf n MET 289 N -4.39 0.07 -0.22 0.38 2.81 0.13 -0.89 117.12 115.00 2npf n MET 289 Ca -0.34 0.25 0.06 0.00 -1.81 0.00 0.00 57.70 55.86 2npf n MET 289 Cb 0.67 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.85 2npf n MET 289 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2npf n ASN 290 N -1.40 3.07 -1.54 7.83 3.02 -0.69 -4.98 115.26 120.59 2npf n ASN 290 Ca 0.04 -2.26 -0.13 0.00 -0.03 0.00 0.00 54.58 52.20 2npf n ASN 290 Cb 0.11 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 2npf n ASN 290 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2npf n PHE 291 N 0.16 -0.55 -1.27 3.10 3.72 -0.07 -4.82 117.46 117.73 2npf n PHE 291 Ca 0.13 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.20 2npf n PHE 291 Cb 0.53 -2.55 -0.09 0.00 -0.94 0.00 0.00 39.48 36.42 2npf n PHE 291 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2npf n LYS 292 N -1.99 0.70 -0.33 -1.08 5.02 -0.87 -4.78 118.16 114.83 2npf n LYS 292 Ca -0.13 -1.69 0.23 0.00 -2.02 0.00 0.00 58.31 54.70 2npf n LYS 292 Cb 0.45 -3.24 0.45 0.00 -0.02 0.00 0.00 35.03 32.66 2npf n LYS 292 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2npf h LYS 293 N 9.92 0.09 -0.31 1.97 1.57 -1.88 -2.55 116.57 125.37 2npf h LYS 293 Ca 0.22 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2npf h LYS 293 Cb 0.82 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2npf h LYS 293 CO 1.58 0.06 -0.19 -0.44 -0.57 0.00 0.00 179.45 179.88 2npf h ASP 294 N 0.09 0.71 -0.27 0.86 3.32 -1.95 -3.32 116.42 115.85 2npf h ASP 294 Ca 0.72 -0.43 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 2npf h ASP 294 Cb 1.71 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 2npf h ASP 294 CO -0.76 0.98 -0.49 -0.33 -1.72 0.00 0.00 179.24 176.92 2npf h GLU 295 N 0.44 0.85 -0.65 3.56 5.08 -1.83 -3.35 114.58 118.67 2npf h GLU 295 Ca 0.06 -0.50 0.06 0.00 -1.00 0.00 0.00 59.36 57.98 2npf h GLU 295 Cb 0.74 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.94 2npf h GLU 295 CO 0.05 1.14 -0.47 0.82 -1.00 0.00 0.00 179.01 179.56 2npf h ILE 296 N 0.67 0.00 -0.88 3.13 2.04 -1.63 0.17 117.51 121.02 2npf h ILE 296 Ca 0.03 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.09 2npf h ILE 296 Cb 1.08 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.04 2npf h ILE 296 CO 0.11 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 178.01 2npf h PRO 297 N -0.11 0.46 0.02 2.37 0.11 -1.73 -0.96 132.00 132.16 2npf h PRO 297 Ca 0.11 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.99 2npf h PRO 297 Cb 0.38 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.40 2npf h PRO 297 CO -0.67 0.30 -0.78 0.28 -0.21 0.00 0.00 178.00 176.92 2npf h VAL 298 N 0.47 1.39 -0.58 3.15 2.07 -1.48 -2.36 116.25 118.92 2npf h VAL 298 Ca 0.52 -2.18 0.08 0.00 0.82 0.00 0.00 66.70 65.94 2npf h VAL 298 Cb 0.92 2.60 -0.07 0.00 -1.52 0.00 0.00 31.29 33.22 2npf h VAL 298 CO -0.47 0.65 0.22 0.25 0.02 0.00 0.00 177.57 178.24 2npf h LEU 299 N 0.03 0.24 -1.47 2.57 5.85 -0.15 -0.24 115.31 122.14 2npf h LEU 299 Ca -0.10 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2npf h LEU 299 Cb 1.48 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 2npf h LEU 299 CO 0.15 0.15 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.10 2npf h LEU 300 N 0.41 0.05 -0.70 2.25 4.07 -1.21 -2.70 115.31 117.48 2npf h LEU 300 Ca 0.28 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 58.10 2npf h LEU 300 Cb 0.32 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 2npf h LEU 300 CO -0.27 0.28 -0.49 -0.08 -1.08 0.00 0.00 178.44 176.80 2npf h GLU 301 N 0.05 0.40 0.00 1.13 4.57 -0.51 -0.02 114.58 120.20 2npf h GLU 301 Ca 0.01 -0.23 -0.06 0.00 -1.18 0.00 0.00 59.36 57.90 2npf h GLU 301 Cb 0.44 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2npf h GLU 301 CO 0.03 0.80 -0.29 0.87 -1.18 0.00 0.00 179.01 179.24 2npf h LYS 302 N 0.32 0.00 -0.01 1.92 1.57 -1.02 -3.16 116.57 116.19 2npf h LYS 302 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2npf h LYS 302 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2npf h LYS 302 CO 0.08 0.28 -0.54 1.28 -0.57 0.00 0.00 179.45 179.99 2npf n LEU 303 N -3.17 1.51 -2.09 2.94 4.77 -1.07 -4.96 117.00 114.93 2npf n LEU 303 Ca 0.03 -0.55 -0.16 0.00 -0.03 0.00 0.00 56.01 55.30 2npf n LEU 303 Cb 0.65 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.71 2npf n LEU 303 CO 0.38 0.30 -0.04 -0.62 -1.33 0.00 0.00 177.39 176.07 2npf n GLU 304 N -0.55 -2.98 -3.05 3.23 1.02 -0.59 -4.96 120.64 112.75 2npf n GLU 304 Ca 0.09 0.66 -0.44 0.00 -0.02 0.00 0.00 57.16 57.44 2npf n GLU 304 Cb 0.41 -4.98 -0.04 0.00 -0.02 0.00 0.00 31.44 26.81 2npf n GLU 304 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2npf s ILE 305 N -2.94 4.79 -0.15 -3.67 1.01 -0.12 -5.02 121.20 115.10 2npf s ILE 305 Ca 0.17 -1.12 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 2npf s ILE 305 Cb -0.07 -4.57 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 2npf s ILE 305 CO 0.21 -1.25 0.70 0.68 0.00 0.00 0.00 174.94 175.28 2npf s VAL 306 N 2.70 4.99 0.08 2.92 -7.23 -1.26 -4.73 120.40 117.87 2npf s VAL 306 Ca 0.18 1.37 0.02 0.00 -1.81 0.00 0.00 61.98 61.74 2npf s VAL 306 Cb -0.18 -4.02 -0.04 0.00 0.56 0.00 0.00 36.38 32.70 2npf s VAL 306 CO 0.03 0.13 0.14 -0.76 -0.31 0.00 0.00 175.10 174.33 2npf s LEU 307 N 1.66 4.04 0.19 1.32 1.43 -1.26 -5.08 118.68 120.98 2npf s LEU 307 Ca 0.34 0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.64 2npf s LEU 307 Cb -0.16 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2npf s LEU 307 CO 0.13 0.16 -0.17 -1.59 0.23 0.00 0.00 176.35 175.11 2npf s LYS 308 N -2.51 1.78 0.26 1.70 -2.85 -1.26 -4.92 119.74 111.94 2npf s LYS 308 Ca 0.32 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 2npf s LYS 308 Cb -0.12 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 2npf s LYS 308 CO 0.25 0.41 0.00 0.41 0.10 0.00 0.00 175.35 176.52 2npf n GLY 309 N 0.08 1.54 0.38 0.59 0.00 -1.26 -1.86 105.19 104.66 2npf n GLY 309 Ca -0.11 -0.23 0.19 0.00 0.00 0.00 0.00 46.02 45.86 2npf n GLY 309 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2npf h ASP 310 N 0.33 0.00 -0.69 1.61 3.32 -2.01 -2.56 116.42 116.43 2npf h ASP 310 Ca 0.00 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.25 2npf h ASP 310 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2npf h ASP 310 CO 0.00 0.00 0.70 -0.33 -1.72 0.00 0.00 179.24 177.89 2npf h GLU 311 N 0.00 0.00 0.00 3.56 5.08 -1.77 0.30 114.58 121.76 2npf h GLU 311 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2npf h GLU 311 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2npf h GLU 311 CO -0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2npf n LYS 312 N -3.67 0.45 -0.39 2.33 5.02 -0.96 -2.77 118.16 118.17 2npf n LYS 312 Ca 0.14 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.55 2npf n LYS 312 Cb 0.94 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.64 2npf n LYS 312 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2npf n ASP 313 N -1.12 2.24 -4.96 4.39 8.00 0.11 -5.02 116.55 120.18 2npf n ASP 313 Ca 0.12 -3.48 -0.23 0.00 0.71 0.00 0.00 54.79 51.91 2npf n ASP 313 Cb 0.10 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 2npf n ASP 313 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2npf s LEU 314 N -3.06 3.81 0.11 0.64 1.43 -1.11 -5.11 118.68 115.40 2npf s LEU 314 Ca 0.37 0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.73 2npf s LEU 314 Cb 0.33 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 2npf s LEU 314 CO -0.01 -0.53 0.01 -1.61 0.23 0.00 0.00 176.35 174.44 2npf s GLU 315 N -4.42 0.87 0.00 1.70 2.02 -1.26 -4.76 118.70 112.85 2npf s GLU 315 Ca 0.45 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 54.05 2npf s GLU 315 Cb -0.10 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.22 2npf s GLU 315 CO 0.36 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.88 2npf n GLY 316 N -0.06 2.47 0.31 -1.39 0.00 -1.25 -2.40 105.19 102.87 2npf n GLY 316 Ca -0.09 0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 2npf n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2npf h LYS 317 N 0.00 -0.20 -0.37 1.61 1.57 -1.96 0.16 116.57 117.38 2npf h LYS 317 Ca 0.00 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 2npf h LYS 317 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2npf h LYS 317 CO 0.00 -0.13 0.26 0.00 -0.57 0.00 0.00 179.45 179.01 2npf h ALA 318 N 0.91 2.34 0.13 3.86 0.00 -1.90 -0.34 119.26 124.27 2npf h ALA 318 Ca 0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 2npf h ALA 318 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2npf h ALA 318 CO -0.53 -0.45 -1.50 1.25 0.00 0.00 0.00 179.25 178.02 2npf h LEU 319 N 0.00 0.45 -0.84 0.00 5.85 -0.87 -3.28 115.31 116.62 2npf h LEU 319 Ca 0.17 -0.88 0.12 0.00 0.84 0.00 0.00 57.88 58.13 2npf h LEU 319 Cb 0.70 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 2npf h LEU 319 CO -0.00 1.66 0.47 0.25 -0.34 0.00 0.00 178.44 180.48 2npf h LEU 320 N -0.19 0.64 0.29 2.25 5.85 0.07 -1.11 115.31 123.11 2npf h LEU 320 Ca -0.31 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2npf h LEU 320 Cb 1.85 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.83 2npf h LEU 320 CO 0.09 0.33 -0.14 0.11 -0.34 0.00 0.00 178.44 178.49 2npf h LYS 321 N 0.74 -0.38 -0.69 1.25 1.57 -1.23 -0.93 116.57 116.90 2npf h LYS 321 Ca 0.43 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.26 2npf h LYS 321 Cb 0.48 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 2npf h LYS 321 CO -0.29 -0.24 0.44 0.28 -0.57 0.00 0.00 179.45 179.06 2npf h VAL 322 N -0.40 1.11 0.48 0.50 2.07 -1.52 -2.07 116.25 116.40 2npf h VAL 322 Ca -0.04 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2npf h VAL 322 Cb 0.31 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2npf h VAL 322 CO 0.07 0.16 -0.23 0.58 0.02 0.00 0.00 177.57 178.16 2npf h VAL 323 N 0.86 0.45 -0.81 2.57 2.07 -1.14 -2.39 116.25 117.87 2npf h VAL 323 Ca 0.27 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.54 2npf h VAL 323 Cb -0.00 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 2npf h VAL 323 CO -0.10 0.06 0.42 0.24 0.02 0.00 0.00 177.57 178.21 2npf h MET 324 N -0.89 0.63 -0.64 1.57 2.07 -1.11 0.32 114.93 116.89 2npf h MET 324 Ca -0.07 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.52 2npf h MET 324 Cb 0.59 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.14 2npf h MET 324 CO 0.11 0.42 0.39 0.00 1.07 0.00 0.00 176.91 178.90 2npf h ARG 325 N 0.65 0.86 -0.06 1.72 3.08 -1.37 0.94 114.38 120.20 2npf h ARG 325 Ca 0.42 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.28 2npf h ARG 325 Cb 0.52 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2npf h ARG 325 CO -0.32 0.60 -0.50 -0.22 -1.07 0.00 0.00 179.97 178.47 2npf h LYS 326 N 0.86 0.15 0.00 0.04 1.63 -0.69 -2.36 116.57 116.20 2npf h LYS 326 Ca 0.23 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2npf h LYS 326 Cb -0.04 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2npf h LYS 326 CO -0.04 0.62 -0.00 0.35 -3.45 0.00 0.00 179.45 176.92 2npf h PHE 327 N 0.12 -0.00 -2.05 1.91 3.57 0.26 -3.43 116.94 117.32 2npf h PHE 327 Ca 0.00 -0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.94 2npf h PHE 327 Cb 0.93 0.00 -0.40 0.00 2.79 0.00 0.00 35.95 39.27 2npf h PHE 327 CO 0.01 0.88 -0.99 1.28 -2.23 0.00 0.00 178.31 177.26 2npf n LEU 328 N -4.65 1.19 -4.47 0.59 4.77 0.32 -5.07 117.00 109.68 2npf n LEU 328 Ca -0.09 -4.93 -0.44 0.00 -0.03 0.00 0.00 56.01 50.52 2npf n LEU 328 Cb 0.43 0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 2npf n LEU 328 CO 0.31 2.10 2.03 -2.65 -1.33 0.00 0.00 177.39 177.86 2npf n PRO 329 N 1.10 0.49 -0.33 3.23 -0.02 -0.89 -0.56 135.00 138.02 2npf n PRO 329 Ca 0.24 0.06 0.27 0.00 -2.02 0.00 0.00 63.50 62.05 2npf n PRO 329 Cb 0.51 -2.18 0.51 0.00 -0.02 0.00 0.00 33.50 32.32 2npf n PRO 329 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2npf h ALA 330 N 13.60 2.03 -0.08 3.55 0.00 -1.73 -1.27 119.26 135.36 2npf h ALA 330 Ca -0.15 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2npf h ALA 330 Cb 1.32 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2npf h ALA 330 CO 1.22 -0.71 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 2npf h ALA 331 N 1.90 -0.00 -0.60 0.00 0.00 -1.87 -2.58 119.26 116.10 2npf h ALA 331 Ca 0.77 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.83 2npf h ALA 331 Cb 1.87 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.72 2npf h ALA 331 CO -0.66 -0.54 0.14 -0.44 0.00 0.00 0.00 179.25 177.75 2npf h ASP 332 N -0.09 0.03 -0.51 0.00 5.19 -1.61 0.30 116.42 119.74 2npf h ASP 332 Ca 0.06 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2npf h ASP 332 Cb 0.17 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 2npf h ASP 332 CO -0.13 0.02 0.19 0.00 -3.12 0.00 0.00 179.24 176.20 2npf h ALA 333 N 1.48 0.66 -0.27 3.45 0.00 -1.51 -0.99 119.26 122.07 2npf h ALA 333 Ca 0.32 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2npf h ALA 333 Cb 0.47 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2npf h ALA 333 CO -0.40 0.28 -0.29 -0.07 0.00 0.00 0.00 179.25 178.77 2npf h LEU 334 N 0.68 0.72 -1.04 0.00 3.38 -1.00 -2.89 115.31 115.16 2npf h LEU 334 Ca 0.17 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2npf h LEU 334 Cb 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2npf h LEU 334 CO -0.01 1.06 0.37 -0.07 0.09 0.00 0.00 178.44 179.87 2npf h LEU 335 N 0.40 0.94 0.60 1.67 3.38 -0.35 -2.19 115.31 119.77 2npf h LEU 335 Ca 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2npf h LEU 335 Cb 0.86 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2npf h LEU 335 CO 0.07 0.79 -0.44 -0.08 0.09 0.00 0.00 178.44 178.87 2npf h GLU 336 N 1.04 -0.97 -0.81 1.13 4.81 -1.10 -1.14 114.58 117.54 2npf h GLU 336 Ca 0.26 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.64 2npf h GLU 336 Cb 0.09 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 2npf h GLU 336 CO -0.04 -0.65 0.53 0.52 -0.73 0.00 0.00 179.01 178.65 2npf h MET 337 N -1.01 0.77 -0.03 1.92 2.86 -1.33 0.83 114.93 118.95 2npf h MET 337 Ca -0.07 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2npf h MET 337 Cb 0.84 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 2npf h MET 337 CO 0.03 0.51 0.01 0.82 1.06 0.00 0.00 176.91 179.33 2npf h ILE 338 N 0.80 1.20 -0.35 -1.22 2.04 -1.01 0.14 117.51 119.10 2npf h ILE 338 Ca 0.37 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 2npf h ILE 338 Cb 0.37 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2npf h ILE 338 CO -0.14 0.16 -0.24 0.58 0.00 0.00 0.00 178.15 178.51 2npf h VAL 339 N -0.19 1.29 0.00 1.67 2.07 -0.77 -2.73 116.25 117.58 2npf h VAL 339 Ca 0.01 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2npf h VAL 339 Cb 0.25 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2npf h VAL 339 CO 0.00 0.46 -0.36 -0.07 0.02 0.00 0.00 177.57 177.62 2npf h LEU 340 N 0.56 0.00 0.00 2.57 3.38 -0.86 -3.42 115.31 117.54 2npf h LEU 340 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2npf h LEU 340 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2npf h LEU 340 CO 0.07 0.00 -0.72 1.41 0.09 0.00 0.00 178.44 179.29 2npf n HIS 341 N -2.93 0.00 -2.91 1.13 8.25 0.03 -4.55 115.22 114.24 2npf n HIS 341 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 2npf n HIS 341 Cb 0.54 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 2npf n HIS 341 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2npf s LEU 342 N -2.61 4.51 0.70 2.41 1.43 -1.03 -5.03 118.68 119.06 2npf s LEU 342 Ca 0.00 1.60 -0.15 0.00 -1.03 0.00 0.00 54.13 54.55 2npf s LEU 342 Cb 0.00 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.89 2npf s LEU 342 CO 0.00 0.05 1.18 -2.16 0.23 0.00 0.00 176.35 175.64 2npf s PRO 343 N -0.35 2.38 0.61 1.29 0.04 -1.26 -4.78 135.00 132.94 2npf s PRO 343 Ca 0.40 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2npf s PRO 343 Cb -0.22 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.50 2npf s PRO 343 CO 0.26 -1.63 0.86 -1.54 0.04 0.00 0.00 177.00 175.00 2npf s SER 344 N -2.17 5.00 0.29 6.66 1.04 -1.26 -4.52 113.70 118.74 2npf s SER 344 Ca 0.72 0.02 0.01 0.00 0.48 0.00 0.00 55.95 57.18 2npf s SER 344 Cb -0.26 -0.76 0.53 0.00 0.10 0.00 0.00 66.02 65.63 2npf s SER 344 CO 0.43 -1.37 1.88 -0.65 0.98 0.00 0.00 173.24 174.50 2npf h PRO 345 N -0.18 1.00 0.43 4.02 0.11 -1.71 -0.89 132.00 134.77 2npf h PRO 345 Ca -0.41 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2npf h PRO 345 Cb 1.29 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2npf h PRO 345 CO 0.51 0.66 -0.30 0.28 -0.21 0.00 0.00 178.00 178.94 2npf h VAL 346 N 1.03 0.37 -0.87 3.15 2.07 -1.93 0.25 116.25 120.32 2npf h VAL 346 Ca 0.44 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.95 2npf h VAL 346 Cb 0.33 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2npf h VAL 346 CO -0.20 0.00 0.48 0.74 0.02 0.00 0.00 177.57 178.61 2npf h THR 347 N -0.71 1.25 0.15 2.57 2.02 -1.77 -3.26 112.91 113.16 2npf h THR 347 Ca -0.04 -0.62 -0.21 0.00 0.77 0.00 0.00 66.41 66.31 2npf h THR 347 Cb 0.60 0.07 0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2npf h THR 347 CO 0.02 0.28 -0.93 0.00 0.37 0.00 0.00 175.52 175.26 2npf h ALA 348 N 1.26 -0.08 -0.12 6.16 0.00 -1.06 -3.32 119.26 122.10 2npf h ALA 348 Ca 0.31 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2npf h ALA 348 Cb 0.02 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2npf h ALA 348 CO -0.05 0.44 0.25 1.96 0.00 0.00 0.00 179.25 181.85 2npf h GLN 349 N -0.31 0.00 -0.07 0.00 4.20 -0.56 -0.59 115.11 117.77 2npf h GLN 349 Ca -0.17 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 2npf h GLN 349 Cb 1.71 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.49 2npf h GLN 349 CO 0.16 0.00 0.03 0.00 -0.67 0.00 0.00 178.83 178.35 2npf h ALA 350 N 1.62 0.09 -0.45 3.87 0.00 -1.61 -1.58 119.26 121.20 2npf h ALA 350 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2npf h ALA 350 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2npf h ALA 350 CO -0.00 -0.32 0.00 2.48 0.00 0.00 0.00 179.25 181.41 2npf n TYR 351 N -4.94 0.59 0.09 0.00 0.18 -0.48 -4.20 117.16 108.40 2npf n TYR 351 Ca -0.06 -0.29 0.04 0.00 1.88 0.00 0.00 57.90 59.46 2npf n TYR 351 Cb 0.11 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.02 2npf n TYR 351 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2npf n ARG 352 N 1.39 1.40 -0.32 -3.48 1.74 -0.35 -4.70 116.66 112.33 2npf n ARG 352 Ca 0.20 -0.05 0.09 0.00 -0.77 0.00 0.00 57.85 57.32 2npf n ARG 352 Cb 0.57 -1.09 0.25 0.00 -1.02 0.00 0.00 32.46 31.18 2npf n ARG 352 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2npf h ALA 353 N 0.77 1.43 -0.37 7.54 0.00 -1.45 -2.44 119.26 124.74 2npf h ALA 353 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2npf h ALA 353 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2npf h ALA 353 CO 0.00 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.62 2npf n GLU 354 N -4.80 0.00 -0.30 0.00 -0.58 -1.26 -2.22 120.64 111.48 2npf n GLU 354 Ca 0.19 0.64 0.20 0.00 -0.42 0.00 0.00 57.16 57.77 2npf n GLU 354 Cb 0.46 -1.44 0.48 0.00 -0.57 0.00 0.00 31.44 30.38 2npf n GLU 354 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2npf h GLN 355 N 0.00 0.43 0.00 3.49 4.15 -1.88 -0.82 115.11 120.49 2npf h GLN 355 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2npf h GLN 355 Cb 0.00 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.59 2npf h GLN 355 CO 0.00 0.29 0.00 -0.07 -1.93 0.00 0.00 178.83 177.12 2npf h LEU 356 N 0.45 0.00 -8.63 -2.39 3.38 -1.23 -3.42 115.31 103.47 2npf h LEU 356 Ca 0.55 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.87 2npf h LEU 356 Cb 1.32 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.82 2npf h LEU 356 CO -0.27 0.00 -0.73 -0.47 0.09 0.00 0.00 178.44 177.06 2npf s TYR 357 N -3.48 2.90 0.25 1.13 5.04 -0.31 -1.62 117.35 121.26 2npf s TYR 357 Ca 0.03 -0.62 0.06 0.00 -2.44 0.00 0.00 57.07 54.11 2npf s TYR 357 Cb 0.09 -1.93 0.30 0.00 0.35 0.00 0.00 41.96 40.77 2npf s TYR 357 CO 0.51 -0.24 1.59 0.93 -1.34 0.00 0.00 175.55 177.00 2npf h GLU 358 N 7.00 0.18 0.00 4.97 4.39 -1.69 -3.46 114.58 125.96 2npf h GLU 358 Ca -0.31 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2npf h GLU 358 Cb 1.20 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2npf h GLU 358 CO 0.59 0.72 0.00 0.41 -1.16 0.00 0.00 179.01 179.56 2npf n GLY 359 N 0.22 -1.31 3.74 -3.84 0.00 -1.26 -5.02 105.19 97.72 2npf n GLY 359 Ca -0.02 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2npf n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2npf s PRO 360 N 0.00 4.65 0.29 1.61 0.04 -1.26 -4.95 135.00 135.38 2npf s PRO 360 Ca 0.00 1.68 0.21 0.00 0.04 0.00 0.00 61.00 62.93 2npf s PRO 360 Cb 0.00 -3.27 1.06 0.00 0.04 0.00 0.00 34.50 32.34 2npf s PRO 360 CO 0.00 0.18 1.64 0.00 0.04 0.00 0.00 177.00 178.87 2npf n ALA 361 N 2.01 1.22 0.71 8.56 0.00 -1.26 -1.03 120.51 130.72 2npf n ALA 361 Ca 0.01 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.70 2npf n ALA 361 Cb 0.46 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.68 2npf n ALA 361 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2npf n ASP 362 N -2.21 2.57 -4.38 0.00 5.68 -1.26 -4.49 116.55 112.46 2npf n ASP 362 Ca -0.00 -1.77 -0.33 0.00 -0.50 0.00 0.00 54.79 52.19 2npf n ASP 362 Cb 0.09 -0.02 0.14 0.00 -1.14 0.00 0.00 41.12 40.19 2npf n ASP 362 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2npf n ASP 363 N 1.04 -2.11 0.40 -1.12 2.03 -0.20 -4.82 116.55 111.77 2npf n ASP 363 Ca 0.11 0.17 -0.17 0.00 0.52 0.00 0.00 54.79 55.42 2npf n ASP 363 Cb 0.46 -1.13 -0.09 0.00 -0.72 0.00 0.00 41.12 39.64 2npf n ASP 363 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2npf h ALA 364 N -1.77 -1.01 -0.05 -1.67 0.00 -1.94 -2.93 119.26 109.89 2npf h ALA 364 Ca -0.47 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.23 2npf h ALA 364 Cb 1.31 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2npf h ALA 364 CO 0.36 -1.00 -0.06 -0.91 0.00 0.00 0.00 179.25 177.64 2npf h ASN 365 N -1.15 -0.18 -0.88 0.00 2.35 -1.94 -1.97 115.58 111.81 2npf h ASN 365 Ca -0.10 0.04 0.23 0.00 -0.55 0.00 0.00 56.30 55.92 2npf h ASN 365 Cb 0.79 0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.20 2npf h ASN 365 CO 0.17 -0.09 0.61 0.00 -1.65 0.00 0.00 177.43 176.48 2npf h ILE 367 N 0.18 1.43 -0.49 0.00 1.08 -1.18 -2.29 117.51 116.23 2npf h ILE 367 Ca 0.44 -2.50 -0.04 0.00 -0.39 0.00 0.00 64.86 62.37 2npf h ILE 367 Cb 1.45 2.44 -0.02 0.00 -3.07 0.00 0.00 36.82 37.62 2npf h ILE 367 CO -0.09 0.74 0.17 0.00 -0.69 0.00 0.00 178.15 178.28 2npf h ALA 368 N 0.80 0.64 -0.46 1.87 0.00 0.09 -0.95 119.26 121.24 2npf h ALA 368 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2npf h ALA 368 Cb 1.57 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2npf h ALA 368 CO 0.16 0.28 0.28 0.82 0.00 0.00 0.00 179.25 180.78 2npf h ILE 369 N 0.65 1.05 -0.95 0.00 2.04 -1.13 0.85 117.51 120.02 2npf h ILE 369 Ca 0.16 -0.19 0.18 0.00 1.00 0.00 0.00 64.86 66.00 2npf h ILE 369 Cb 0.24 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 2npf h ILE 369 CO -0.01 0.10 0.60 0.11 0.00 0.00 0.00 178.15 178.96 2npf h LYS 370 N 0.56 0.65 -0.10 2.37 1.79 -0.86 -2.36 116.57 118.61 2npf h LYS 370 Ca 0.18 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2npf h LYS 370 Cb 0.00 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2npf h LYS 370 CO -0.08 0.43 0.00 0.09 -1.08 0.00 0.00 179.45 178.81 2npf n ASN 371 N -4.62 2.96 -4.18 0.86 3.02 0.45 -3.55 115.26 110.20 2npf n ASN 371 Ca 0.20 -1.96 -0.31 0.00 -0.03 0.00 0.00 54.58 52.48 2npf n ASN 371 Cb 0.56 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 2npf n ASN 371 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2npf s ASP 373 N -4.07 6.52 0.48 0.00 -1.08 -1.01 -4.77 116.67 112.75 2npf s ASP 373 Ca 0.22 0.18 0.27 0.00 -0.52 0.00 0.00 52.55 52.70 2npf s ASP 373 Cb -0.12 -2.47 1.15 0.00 -1.46 0.00 0.00 42.92 40.01 2npf s ASP 373 CO 0.94 -1.10 1.92 1.55 0.52 0.00 0.00 175.17 179.00 2npf h PRO 374 N 9.13 0.00 -0.01 4.34 0.13 -1.88 1.09 132.00 144.80 2npf h PRO 374 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2npf h PRO 374 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2npf h PRO 374 CO 1.05 0.16 -0.04 1.63 -0.23 0.00 0.00 178.00 180.57 2npf n LYS 375 N -3.37 1.04 -1.19 0.86 5.02 -1.26 -2.88 118.16 116.38 2npf n LYS 375 Ca -0.00 -0.34 -0.10 0.00 -2.02 0.00 0.00 58.31 55.85 2npf n LYS 375 Cb 0.36 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.94 2npf n LYS 375 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2npf n ALA 376 N -0.68 -0.14 -1.76 7.82 0.00 -1.17 -4.92 120.51 119.64 2npf n ALA 376 Ca 0.19 -0.75 -0.40 0.00 0.00 0.00 0.00 53.44 52.48 2npf n ALA 376 Cb 0.24 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 2npf n ALA 376 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2npf s ASP 377 N -2.72 6.96 0.25 0.00 1.01 -1.26 -3.95 116.67 116.96 2npf s ASP 377 Ca 0.28 2.40 -0.31 0.00 0.71 0.00 0.00 52.55 55.63 2npf s ASP 377 Cb -0.01 -2.63 -0.13 0.00 1.01 0.00 0.00 42.92 41.16 2npf s ASP 377 CO 0.19 -0.37 1.53 -0.11 0.21 0.00 0.00 175.17 176.62 2npf n LEU 378 N 0.81 3.71 -3.45 1.23 7.94 -1.26 -3.93 117.00 122.06 2npf n LEU 378 Ca 0.00 1.13 -0.28 0.00 -1.11 0.00 0.00 56.01 55.76 2npf n LEU 378 Cb 0.44 -1.51 -0.11 0.00 0.53 0.00 0.00 43.42 42.78 2npf n LEU 378 CO 0.55 -0.14 -0.30 -0.04 -1.11 0.00 0.00 177.39 176.35 2npf s MET 379 N -0.16 0.93 -0.24 1.96 -1.94 -0.64 -2.93 119.30 116.28 2npf s MET 379 Ca 0.68 -2.01 -0.05 0.00 -1.71 0.00 0.00 55.69 52.60 2npf s MET 379 Cb -0.57 -1.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.72 2npf s MET 379 CO 0.46 -1.34 0.00 -1.17 -0.01 0.00 0.00 175.02 172.97 2npf s LEU 380 N 0.20 3.17 -0.37 -0.03 0.20 -0.63 -0.15 118.68 121.07 2npf s LEU 380 Ca 0.29 -0.39 -0.20 0.00 0.69 0.00 0.00 54.13 54.52 2npf s LEU 380 Cb -0.03 -1.81 0.00 0.00 -0.43 0.00 0.00 46.19 43.93 2npf s LEU 380 CO -0.15 -0.05 0.60 -0.47 -0.29 0.00 0.00 176.35 176.00 2npf s TYR 381 N 1.52 3.14 -0.38 5.38 5.04 -0.24 -1.03 117.35 130.79 2npf s TYR 381 Ca 0.05 0.23 -0.24 0.00 -2.44 0.00 0.00 57.07 54.67 2npf s TYR 381 Cb -0.15 -3.12 0.01 0.00 0.35 0.00 0.00 41.96 39.06 2npf s TYR 381 CO -0.01 -0.65 0.82 0.08 -1.34 0.00 0.00 175.55 174.45 2npf s VAL 382 N 2.64 4.69 0.04 3.14 1.01 -0.97 -1.97 120.40 128.97 2npf s VAL 382 Ca 0.22 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.93 2npf s VAL 382 Cb -0.15 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 31.72 2npf s VAL 382 CO 0.15 -0.50 1.11 -1.28 0.00 0.00 0.00 175.10 174.59 2npf h SER 383 N 8.55 0.77 -4.97 3.32 0.87 -0.47 -2.43 113.55 119.19 2npf h SER 383 Ca -0.24 -0.79 0.24 0.00 -1.23 0.00 0.00 61.79 59.77 2npf h SER 383 Cb 1.09 -0.24 -0.14 0.00 -0.44 0.00 0.00 62.40 62.67 2npf h SER 383 CO 0.93 1.47 0.71 -1.59 -0.53 0.00 0.00 176.83 177.82 2npf s LYS 384 N -3.11 0.57 0.05 2.24 -2.85 -1.09 -4.21 119.74 111.35 2npf s LYS 384 Ca -0.11 -0.27 -0.06 0.00 -1.00 0.00 0.00 55.97 54.53 2npf s LYS 384 Cb 0.05 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 2npf s LYS 384 CO 0.89 -0.26 0.30 -1.64 0.10 0.00 0.00 175.35 174.74 2npf s MET 385 N -2.69 3.59 -0.06 1.78 -1.94 -1.26 -1.24 119.30 117.48 2npf s MET 385 Ca 0.11 -0.10 0.03 0.00 -1.71 0.00 0.00 55.69 54.02 2npf s MET 385 Cb 0.01 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.84 2npf s MET 385 CO -0.04 0.59 -0.15 0.14 -0.01 0.00 0.00 175.02 175.56 2npf s VAL 386 N -1.42 1.28 0.37 -6.03 -7.23 0.05 -4.95 120.40 102.47 2npf s VAL 386 Ca 0.32 -0.59 -0.28 0.00 -1.81 0.00 0.00 61.98 59.62 2npf s VAL 386 Cb -0.13 -1.14 -0.11 0.00 0.56 0.00 0.00 36.38 35.56 2npf s VAL 386 CO 0.20 0.38 1.50 -2.84 -0.31 0.00 0.00 175.10 174.03 2npf s PRO 387 N 0.40 4.11 0.26 4.82 0.02 -1.26 -1.51 135.00 141.83 2npf s PRO 387 Ca -0.11 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.50 2npf s PRO 387 Cb -0.14 -2.97 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 2npf s PRO 387 CO 0.03 -0.55 0.11 0.95 -0.33 0.00 0.00 177.00 177.21 2npf s THR 388 N -1.02 0.47 -0.45 0.99 -4.23 -0.97 -2.57 115.64 107.85 2npf s THR 388 Ca 0.54 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 2npf s THR 388 Cb -0.47 -2.61 0.56 0.00 1.34 0.00 0.00 72.50 71.33 2npf s THR 388 CO 0.62 0.00 1.42 -1.54 -0.54 0.00 0.00 174.62 174.58 2npf n SER 389 N -0.50 4.23 -2.00 3.99 3.41 -0.42 -4.40 113.62 117.93 2npf n SER 389 Ca 0.00 -2.72 -0.19 0.00 -0.26 0.00 0.00 58.87 55.69 2npf n SER 389 Cb 0.66 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2npf n SER 389 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2npf n ASP 390 N 0.28 6.58 -2.67 4.04 -0.08 -1.26 -4.86 116.55 118.58 2npf n ASP 390 Ca 0.23 -3.14 -0.02 0.00 -1.51 0.00 0.00 54.79 50.35 2npf n ASP 390 Cb 0.98 -1.07 0.00 0.00 2.34 0.00 0.00 41.12 43.37 2npf n ASP 390 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2npf n LYS 391 N 0.30 -3.07 -0.11 -0.67 4.76 -1.26 -3.52 118.16 114.59 2npf n LYS 391 Ca 0.35 2.53 0.00 0.00 -2.87 0.00 0.00 58.31 58.32 2npf n LYS 391 Cb 0.58 -5.22 0.00 0.00 -1.84 0.00 0.00 35.03 28.55 2npf n LYS 391 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2npf n GLY 392 N 0.44 0.00 3.78 0.72 0.00 -1.26 -4.90 105.19 103.96 2npf n GLY 392 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2npf n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2npf s ARG 393 N -0.23 3.35 -0.10 1.61 1.81 -1.23 -4.92 118.95 119.24 2npf s ARG 393 Ca 0.00 1.49 0.02 0.00 -1.72 0.00 0.00 55.73 55.52 2npf s ARG 393 Cb 0.00 -2.02 0.01 0.00 -0.45 0.00 0.00 34.95 32.50 2npf s ARG 393 CO 0.00 -0.83 -0.15 -0.06 -0.68 0.00 0.00 175.30 173.58 2npf s PHE 394 N -1.96 1.94 0.11 -0.53 2.99 -1.26 -2.30 117.98 116.97 2npf s PHE 394 Ca 0.70 -0.89 -0.18 0.00 0.00 0.00 0.00 56.93 56.56 2npf s PHE 394 Cb -0.21 -1.40 -0.07 0.00 0.00 0.00 0.00 43.02 41.34 2npf s PHE 394 CO 0.29 -0.46 0.57 0.71 -0.00 0.00 0.00 175.22 176.33 2npf s TYR 395 N 0.95 3.72 0.24 0.36 2.02 -0.57 -4.19 117.35 119.89 2npf s TYR 395 Ca -0.07 1.21 -0.28 0.00 -0.37 0.00 0.00 57.07 57.56 2npf s TYR 395 Cb -0.15 -2.46 -0.09 0.00 -0.40 0.00 0.00 41.96 38.86 2npf s TYR 395 CO -0.01 0.51 0.90 0.00 -1.57 0.00 0.00 175.55 175.38 2npf s ALA 396 N -1.27 3.34 -0.03 3.71 0.00 0.54 -0.77 121.76 127.28 2npf s ALA 396 Ca 0.33 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2npf s ALA 396 Cb -0.18 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2npf s ALA 396 CO 0.19 0.23 -0.21 0.12 0.00 0.00 0.00 175.76 176.09 2npf s PHE 397 N -1.28 1.95 -1.21 0.00 5.36 -0.37 0.63 117.98 123.05 2npf s PHE 397 Ca 0.42 -0.46 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 2npf s PHE 397 Cb -0.23 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.17 2npf s PHE 397 CO 0.29 -0.10 0.00 0.41 -1.46 0.00 0.00 175.22 174.35 2npf n GLY 398 N 2.79 -0.80 3.43 13.12 0.00 -0.28 0.29 105.19 123.75 2npf n GLY 398 Ca -0.16 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 2npf n GLY 398 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2npf s ARG 399 N -0.49 2.10 -0.44 1.61 3.52 -0.83 0.26 118.95 124.69 2npf s ARG 399 Ca 0.00 -0.95 -0.17 0.00 -0.13 0.00 0.00 55.73 54.48 2npf s ARG 399 Cb 0.00 -2.18 0.04 0.00 -1.56 0.00 0.00 34.95 31.25 2npf s ARG 399 CO 0.00 0.55 0.44 0.08 -0.81 0.00 0.00 175.30 175.56 2npf s VAL 400 N -0.86 5.11 -0.00 7.11 1.01 -0.40 -1.08 120.40 131.29 2npf s VAL 400 Ca 0.13 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2npf s VAL 400 Cb -0.10 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 31.95 2npf s VAL 400 CO 0.04 -0.50 0.82 -0.26 0.00 0.00 0.00 175.10 175.20 2npf h PHE 401 N 8.76 0.14 -3.14 5.22 0.04 -0.86 1.53 116.94 128.64 2npf h PHE 401 Ca -0.27 -0.10 -0.13 0.00 2.80 0.00 0.00 57.97 60.27 2npf h PHE 401 Cb 1.11 -0.01 -0.21 0.00 2.20 0.00 0.00 35.95 39.04 2npf h PHE 401 CO 0.63 1.15 -0.34 0.00 -0.60 0.00 0.00 178.31 179.15 2npf s ALA 402 N -2.62 -0.68 0.00 2.45 0.00 -1.10 -4.20 121.76 115.61 2npf s ALA 402 Ca -0.06 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2npf s ALA 402 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2npf s ALA 402 CO 0.83 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2npf n GLY 403 N 1.56 -1.30 3.12 0.00 0.00 0.38 -1.62 105.19 107.33 2npf n GLY 403 Ca -0.21 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 2npf n GLY 403 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2npf s THR 404 N 0.00 -0.39 0.40 2.61 -1.32 -1.14 -0.96 115.64 114.84 2npf s THR 404 Ca 0.00 0.21 -0.24 0.00 -1.21 0.00 0.00 61.69 60.45 2npf s THR 404 Cb 0.00 -0.52 -0.09 0.00 -1.51 0.00 0.00 72.50 70.38 2npf s THR 404 CO 0.00 0.09 1.07 0.54 -2.21 0.00 0.00 174.62 174.11 2npf s VAL 405 N 2.21 3.60 0.04 5.08 0.11 -0.84 -4.81 120.40 125.79 2npf s VAL 405 Ca -0.02 1.24 0.02 0.00 -2.93 0.00 0.00 61.98 60.30 2npf s VAL 405 Cb -0.11 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 2npf s VAL 405 CO -0.10 0.02 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.07 2npf s LYS 406 N -2.46 0.56 -0.36 1.54 1.02 -1.26 -1.37 119.74 117.40 2npf s LYS 406 Ca 0.58 -0.67 -0.28 0.00 0.02 0.00 0.00 55.97 55.62 2npf s LYS 406 Cb -0.24 -0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 36.65 2npf s LYS 406 CO 0.30 0.08 1.93 -1.12 -0.92 0.00 0.00 175.35 175.62 2npf s SER 407 N -1.29 5.61 0.00 2.83 0.01 1.00 -2.24 113.70 119.62 2npf s SER 407 Ca -0.06 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.45 2npf s SER 407 Cb -0.08 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2npf s SER 407 CO 0.00 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.33 2npf n GLY 408 N 5.56 3.29 2.56 3.44 0.00 -0.01 -4.96 105.19 115.08 2npf n GLY 408 Ca 0.25 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 2npf n GLY 408 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2npf n GLN 409 N 0.00 0.00 -3.12 1.61 7.27 -0.95 -3.99 117.38 118.19 2npf n GLN 409 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 2npf n GLN 409 Cb 0.00 -0.76 -0.06 0.00 2.41 0.00 0.00 30.24 31.83 2npf n GLN 409 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2npf s LYS 410 N -0.76 4.11 0.08 3.69 1.02 -1.26 -1.75 119.74 124.88 2npf s LYS 410 Ca 0.48 0.76 -0.02 0.00 0.02 0.00 0.00 55.97 57.21 2npf s LYS 410 Cb -0.68 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2npf s LYS 410 CO 0.43 0.27 0.02 0.08 -0.92 0.00 0.00 175.35 175.23 2npf s VAL 411 N -1.77 0.18 -0.77 3.17 1.01 0.12 -4.94 120.40 117.40 2npf s VAL 411 Ca 0.49 -1.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.58 2npf s VAL 411 Cb -0.13 -1.67 0.20 0.00 0.00 0.00 0.00 36.38 34.78 2npf s VAL 411 CO 0.19 -0.80 0.68 -0.13 0.00 0.00 0.00 175.10 175.04 2npf s ARG 412 N -3.95 3.33 -0.29 2.72 0.52 0.02 -2.02 118.95 119.28 2npf s ARG 412 Ca 0.12 -2.45 -0.29 0.00 -0.52 0.00 0.00 55.73 52.59 2npf s ARG 412 Cb 0.07 -4.26 -0.02 0.00 0.52 0.00 0.00 34.95 31.27 2npf s ARG 412 CO -0.06 -1.26 1.69 0.42 0.02 0.00 0.00 175.30 176.10 2npf s ILE 413 N 0.16 3.60 -0.45 1.52 1.01 0.80 -2.31 121.20 125.53 2npf s ILE 413 Ca 0.17 0.64 -0.10 0.00 0.00 0.00 0.00 60.65 61.36 2npf s ILE 413 Cb -0.13 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.72 2npf s ILE 413 CO -0.07 -0.39 0.31 -1.10 0.00 0.00 0.00 174.94 173.69 2npf s GLN 414 N 5.18 2.61 1.12 2.79 -0.21 0.39 -3.02 119.66 128.51 2npf s GLN 414 Ca 0.75 -1.57 -0.16 0.00 0.02 0.00 0.00 55.36 54.39 2npf s GLN 414 Cb -0.23 -3.89 0.15 0.00 1.00 0.00 0.00 33.01 30.05 2npf s GLN 414 CO 0.32 -1.07 0.37 0.41 -2.12 0.00 0.00 175.29 173.20 2npf n GLY 415 N 4.95 -2.26 0.50 3.09 0.00 -1.26 -2.42 105.19 107.80 2npf n GLY 415 Ca -0.10 -0.89 0.31 0.00 0.00 0.00 0.00 46.02 45.34 2npf n GLY 415 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2npf h PRO 416 N -2.20 0.00 0.01 1.61 0.11 -1.90 -2.88 132.00 126.76 2npf h PRO 416 Ca -0.55 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.34 2npf h PRO 416 Cb 1.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 2npf h PRO 416 CO 0.41 0.00 -1.22 -2.95 -0.21 0.00 0.00 178.00 174.03 2npf h ASN 417 N 0.00 0.03 -0.65 -2.05 7.08 -1.93 -3.48 115.58 114.58 2npf h ASN 417 Ca 0.47 -0.57 -0.30 0.00 -3.08 0.00 0.00 56.30 52.82 2npf h ASN 417 Cb 2.13 -0.01 0.06 0.00 -2.08 0.00 0.00 38.32 38.42 2npf h ASN 417 CO -0.00 1.48 -0.36 0.00 -2.08 0.00 0.00 177.43 176.47 2npf n TYR 418 N -4.38 -0.67 -3.77 4.14 9.36 -1.09 -5.03 117.16 115.72 2npf n TYR 418 Ca -0.31 0.36 -0.13 0.00 3.32 0.00 0.00 57.90 61.15 2npf n TYR 418 Cb 0.69 -0.87 -0.11 0.00 -0.63 0.00 0.00 39.34 38.42 2npf n TYR 418 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2npf s VAL 419 N -0.65 -0.01 0.19 2.97 1.01 -1.26 -4.82 120.40 117.83 2npf s VAL 419 Ca 0.29 0.02 0.12 0.00 0.00 0.00 0.00 61.98 62.40 2npf s VAL 419 Cb -0.36 -0.40 0.12 0.00 0.00 0.00 0.00 36.38 35.74 2npf s VAL 419 CO 0.28 0.01 1.24 -0.65 0.00 0.00 0.00 175.10 175.98 2npf h PRO 420 N 5.94 0.00 0.00 2.72 0.11 -1.88 -1.71 132.00 137.19 2npf h PRO 420 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2npf h PRO 420 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2npf h PRO 420 CO 0.33 0.00 -1.70 0.41 -0.21 0.00 0.00 178.00 176.84 2npf n GLY 421 N -1.27 -1.14 3.41 -0.55 0.00 -1.26 -4.91 105.19 99.47 2npf n GLY 421 Ca -0.01 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2npf n GLY 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npf s LYS 422 N -3.47 3.27 0.36 1.61 3.01 -0.64 -4.89 119.74 118.98 2npf s LYS 422 Ca -0.06 -0.66 0.11 0.00 -1.01 0.00 0.00 55.97 54.35 2npf s LYS 422 Cb 0.13 -2.63 0.59 0.00 -1.01 0.00 0.00 37.83 34.90 2npf s LYS 422 CO 0.87 0.30 1.20 0.87 0.51 0.00 0.00 175.35 179.11 2npf h LYS 423 N 6.43 0.00 -1.81 1.68 1.79 -1.91 -3.41 116.57 119.34 2npf h LYS 423 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 2npf h LYS 423 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2npf h LYS 423 CO 0.56 0.00 0.00 -3.47 -1.08 0.00 0.00 179.45 175.46 2npf n ASP 424 N -2.05 0.00 -3.56 0.86 -0.08 -1.26 0.14 116.55 110.60 2npf n ASP 424 Ca -0.01 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.07 2npf n ASP 424 Cb 0.44 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.97 2npf n ASP 424 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2npf n ASP 425 N 0.34 -2.79 -3.65 1.67 -0.08 -1.26 -4.59 116.55 106.19 2npf n ASP 425 Ca 0.00 -0.67 0.00 0.00 -1.51 0.00 0.00 54.79 52.61 2npf n ASP 425 Cb 0.00 -4.77 0.00 0.00 2.34 0.00 0.00 41.12 38.69 2npf n ASP 425 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2npf n LEU 426 N -4.36 0.00 -3.23 -2.67 4.77 0.12 -4.78 117.00 106.85 2npf n LEU 426 Ca -0.22 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.80 2npf n LEU 426 Cb 0.64 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 2npf n LEU 426 CO 0.64 -0.28 0.53 -0.36 -1.33 0.00 0.00 177.39 176.60 2npf s PHE 427 N 0.00 -0.74 -0.52 -1.77 0.08 -1.17 -5.00 117.98 108.86 2npf s PHE 427 Ca 0.00 0.94 -0.06 0.00 0.12 0.00 0.00 56.93 57.93 2npf s PHE 427 Cb 0.00 0.32 0.13 0.00 -0.57 0.00 0.00 43.02 42.90 2npf s PHE 427 CO 0.00 -0.40 0.36 0.42 -0.10 0.00 0.00 175.22 175.51 2npf s ILE 428 N 2.77 3.94 0.25 0.64 1.01 -1.26 -0.14 121.20 128.40 2npf s ILE 428 Ca 0.02 -2.21 0.01 0.00 0.00 0.00 0.00 60.65 58.47 2npf s ILE 428 Cb -0.10 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 2npf s ILE 428 CO -0.15 -0.80 0.04 0.29 0.00 0.00 0.00 174.94 174.32 2npf n LYS 429 N 4.40 1.05 -4.28 2.79 4.01 -0.86 -4.90 118.16 120.37 2npf n LYS 429 Ca -0.01 -1.94 -0.34 0.00 -0.51 0.00 0.00 58.31 55.51 2npf n LYS 429 Cb 0.41 0.77 -0.14 0.00 -0.51 0.00 0.00 35.03 35.55 2npf n LYS 429 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2npf s ALA 430 N -2.53 2.66 -0.32 7.82 0.00 -1.26 0.15 121.76 128.27 2npf s ALA 430 Ca 0.05 -1.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 2npf s ALA 430 Cb 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 2npf s ALA 430 CO 0.04 -0.15 2.26 0.42 0.00 0.00 0.00 175.76 178.32 2npf s ILE 431 N 1.01 3.04 0.55 0.00 -1.09 -0.72 -4.83 121.20 119.16 2npf s ILE 431 Ca -0.01 0.03 0.21 0.00 -2.23 0.00 0.00 60.65 58.66 2npf s ILE 431 Cb -0.15 -3.06 0.30 0.00 -1.58 0.00 0.00 42.46 37.97 2npf s ILE 431 CO -0.01 -0.05 2.19 -0.61 -1.23 0.00 0.00 174.94 175.23 2npf h GLN 432 N 16.48 0.00 -1.35 2.79 4.15 -1.70 0.01 115.11 135.49 2npf h GLN 432 Ca -0.35 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.21 2npf h GLN 432 Cb 1.24 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.66 2npf h GLN 432 CO 1.03 0.00 0.69 1.03 -1.93 0.00 0.00 178.83 179.66 2npf s ARG 433 N -4.90 0.33 -0.07 1.69 0.52 -1.13 -4.63 118.95 110.77 2npf s ARG 433 Ca -0.05 0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.36 2npf s ARG 433 Cb 0.16 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.76 2npf s ARG 433 CO 0.62 -0.08 0.03 0.08 0.02 0.00 0.00 175.30 175.97 2npf s VAL 434 N -0.48 4.46 0.09 3.52 1.01 -1.26 -1.85 120.40 125.90 2npf s VAL 434 Ca 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2npf s VAL 434 Cb -0.03 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2npf s VAL 434 CO -0.06 0.54 0.11 0.68 0.00 0.00 0.00 175.10 176.37 2npf s VAL 435 N -0.97 0.15 -0.12 2.92 -7.23 -0.14 -1.29 120.40 113.73 2npf s VAL 435 Ca 0.16 -1.53 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 2npf s VAL 435 Cb -0.11 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 2npf s VAL 435 CO 0.05 -0.68 0.35 -0.76 -0.31 0.00 0.00 175.10 173.75 2npf s LEU 436 N -2.93 4.31 -0.99 1.32 1.43 0.07 -1.25 118.68 120.64 2npf s LEU 436 Ca 0.10 0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 53.72 2npf s LEU 436 Cb 0.06 -2.47 0.18 0.00 0.03 0.00 0.00 46.19 43.99 2npf s LEU 436 CO -0.07 0.14 1.11 -0.04 0.23 0.00 0.00 176.35 177.72 2npf s MET 437 N 0.11 3.78 -1.27 1.70 -1.94 -1.26 -1.64 119.30 118.79 2npf s MET 437 Ca 0.20 -2.28 -0.11 0.00 -1.71 0.00 0.00 55.69 51.79 2npf s MET 437 Cb -0.14 -4.80 0.16 0.00 2.01 0.00 0.00 34.83 32.06 2npf s MET 437 CO 0.07 -1.60 1.77 -1.33 -0.01 0.00 0.00 175.02 173.93 2npf n MET 438 N 5.31 3.53 0.00 2.03 0.00 0.22 -4.55 117.12 123.66 2npf n MET 438 Ca 0.25 -3.58 0.00 0.00 0.00 0.00 0.00 57.70 54.37 2npf n MET 438 Cb 0.46 -2.97 0.00 0.00 0.00 0.00 0.00 33.22 30.71 2npf n MET 438 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2npf n GLY 439 N 3.21 3.19 0.16 3.03 0.00 -0.41 -1.56 105.19 112.81 2npf n GLY 439 Ca 0.40 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.58 2npf n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2npf n ARG 440 N 10.11 0.71 -4.37 1.61 1.74 -1.26 -3.73 116.66 121.46 2npf n ARG 440 Ca 0.00 -0.32 -0.29 0.00 -0.77 0.00 0.00 57.85 56.47 2npf n ARG 440 Cb 0.00 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 29.82 2npf n ARG 440 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2npf s PHE 441 N -2.51 2.37 0.17 -1.55 0.08 -0.60 -0.02 117.98 115.92 2npf s PHE 441 Ca 0.26 -0.34 0.10 0.00 0.12 0.00 0.00 56.93 57.07 2npf s PHE 441 Cb 0.20 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 2npf s PHE 441 CO 0.50 0.39 -0.20 0.14 -0.10 0.00 0.00 175.22 175.95 2npf s VAL 442 N -1.24 2.60 -0.06 -0.44 -7.23 -1.26 0.72 120.40 113.49 2npf s VAL 442 Ca 0.17 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 2npf s VAL 442 Cb -0.10 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.63 2npf s VAL 442 CO 0.08 -0.05 0.01 -0.70 -0.31 0.00 0.00 175.10 174.13 2npf s GLU 443 N -2.54 0.44 0.31 4.82 2.56 -0.65 -4.92 118.70 118.72 2npf s GLU 443 Ca 0.20 0.16 -0.29 0.00 0.00 0.00 0.00 54.97 55.04 2npf s GLU 443 Cb -0.09 -0.82 -0.13 0.00 2.00 0.00 0.00 34.13 35.09 2npf s GLU 443 CO 0.11 -0.29 1.34 -2.30 -0.56 0.00 0.00 175.26 173.56 2npf n PRO 444 N 5.07 2.15 -4.06 4.30 -0.02 -1.26 -0.75 135.00 140.42 2npf n PRO 444 Ca -0.08 0.76 -0.08 0.00 -2.02 0.00 0.00 63.50 62.07 2npf n PRO 444 Cb 0.50 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 2npf n PRO 444 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2npf s ILE 445 N -0.77 0.25 -0.12 4.25 2.07 -0.41 -4.87 121.20 121.60 2npf s ILE 445 Ca 0.59 -1.48 -0.11 0.00 -1.41 0.00 0.00 60.65 58.24 2npf s ILE 445 Cb -0.58 -1.07 -0.09 0.00 0.13 0.00 0.00 42.46 40.85 2npf s ILE 445 CO 0.58 -0.79 0.24 0.44 -1.91 0.00 0.00 174.94 173.50 2npf h ASP 446 N 3.70 0.00 -5.73 4.50 3.32 -1.96 -3.35 116.42 116.90 2npf h ASP 446 Ca -0.34 -0.34 -0.36 0.00 0.02 0.00 0.00 57.03 56.01 2npf h ASP 446 Cb 1.17 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.60 2npf h ASP 446 CO 0.56 0.71 -0.43 1.51 -1.72 0.00 0.00 179.24 179.88 2npf s ASP 447 N -5.83 1.13 -0.24 6.45 1.47 -1.26 -0.00 116.67 118.39 2npf s ASP 447 Ca -0.08 -1.59 -0.07 0.00 1.18 0.00 0.00 52.55 51.98 2npf s ASP 447 Cb -0.01 0.55 0.11 0.00 -0.34 0.00 0.00 42.92 43.23 2npf s ASP 447 CO 0.26 -1.08 0.50 0.00 0.68 0.00 0.00 175.17 175.53 2npf s PRO 449 N 2.71 3.26 0.51 0.00 0.04 -1.26 -1.98 135.00 138.28 2npf s PRO 449 Ca -0.00 1.05 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 2npf s PRO 449 Cb -0.12 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 2npf s PRO 449 CO -0.15 -0.84 0.66 0.00 0.04 0.00 0.00 177.00 176.70 2npf n ALA 450 N -2.45 -0.87 0.00 8.56 0.00 -0.14 -3.29 120.51 122.33 2npf n ALA 450 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2npf n ALA 450 Cb 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2npf n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npf n GLY 451 N 1.63 2.11 3.98 0.00 0.00 0.52 -4.90 105.19 108.53 2npf n GLY 451 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2npf n GLY 451 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2npf s ASN 452 N -1.42 5.82 -0.12 1.61 -0.87 -1.21 -4.80 114.94 113.95 2npf s ASN 452 Ca 0.00 -0.10 -0.07 0.00 -1.57 0.00 0.00 52.86 51.13 2npf s ASN 452 Cb 0.00 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.25 40.01 2npf s ASN 452 CO 0.00 -0.62 0.13 -0.63 -2.57 0.00 0.00 177.10 173.42 2npf s ILE 453 N -2.35 5.44 0.19 0.60 1.09 -1.26 -1.28 121.20 123.63 2npf s ILE 453 Ca 0.49 0.18 -0.19 0.00 -1.10 0.00 0.00 60.65 60.03 2npf s ILE 453 Cb -0.10 -3.37 0.04 0.00 -1.06 0.00 0.00 42.46 37.97 2npf s ILE 453 CO 0.34 0.62 0.54 -0.51 -0.10 0.00 0.00 174.94 175.82 2npf s ILE 454 N -1.01 0.02 0.09 2.92 1.10 0.14 -4.87 121.20 119.60 2npf s ILE 454 Ca 0.15 -0.60 0.10 0.00 -0.51 0.00 0.00 60.65 59.78 2npf s ILE 454 Cb -0.12 -1.43 -0.04 0.00 0.15 0.00 0.00 42.46 41.02 2npf s ILE 454 CO 0.04 -0.11 -0.24 -0.83 -2.11 0.00 0.00 174.94 171.69 2npf s GLY 455 N -2.84 1.55 -0.11 1.50 0.00 -0.38 -1.13 107.32 105.90 2npf s GLY 455 Ca 0.07 -1.36 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2npf s GLY 455 CO -0.05 -1.30 -0.14 1.08 0.00 0.00 0.00 173.10 172.68 2npf s LEU 456 N -1.76 1.66 -0.27 0.66 1.43 0.20 -0.96 118.68 119.64 2npf s LEU 456 Ca 0.14 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2npf s LEU 456 Cb -0.10 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 2npf s LEU 456 CO 0.05 -0.01 0.17 0.68 0.23 0.00 0.00 176.35 177.48 2npf s VAL 457 N 1.10 5.28 0.00 -1.59 -7.23 -0.77 -0.34 120.40 116.84 2npf s VAL 457 Ca -0.05 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2npf s VAL 457 Cb -0.14 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.30 2npf s VAL 457 CO -0.03 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 2npf n GLY 458 N 4.80 1.16 0.14 2.32 0.00 -1.26 -2.02 105.19 110.33 2npf n GLY 458 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.93 2npf n GLY 458 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2npf n ILE 459 N 0.00 1.20 -0.12 -0.61 5.41 -1.26 -4.74 119.36 119.25 2npf n ILE 459 Ca 0.00 -1.41 -0.11 0.00 1.00 0.00 0.00 62.75 62.24 2npf n ILE 459 Cb 0.00 0.14 -0.05 0.00 -0.71 0.00 0.00 39.64 39.02 2npf n ILE 459 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2npf h ASP 460 N 0.00 -1.47 0.55 4.38 5.19 -1.83 -2.75 116.42 120.48 2npf h ASP 460 Ca 0.00 0.22 -0.29 0.00 -0.62 0.00 0.00 57.03 56.34 2npf h ASP 460 Cb 0.99 0.64 0.01 0.00 0.18 0.00 0.00 39.33 41.15 2npf h ASP 460 CO 0.00 -0.38 -1.31 0.06 -3.12 0.00 0.00 179.24 174.49 2npf h GLN 461 N -0.35 0.33 0.00 3.56 3.07 -1.93 -3.34 115.11 116.45 2npf h GLN 461 Ca 0.13 -0.57 0.00 0.00 0.09 0.00 0.00 58.65 58.30 2npf h GLN 461 Cb 0.59 0.21 0.00 0.00 0.08 0.00 0.00 27.48 28.36 2npf h GLN 461 CO -0.56 1.27 0.00 0.74 0.09 0.00 0.00 178.83 180.36 2npf h PHE 462 N 0.09 0.00 -3.04 0.06 0.04 -1.88 -3.44 116.94 108.77 2npf h PHE 462 Ca -0.17 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 2npf h PHE 462 Cb 2.02 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.99 2npf h PHE 462 CO 0.08 0.00 -0.16 -1.17 -0.60 0.00 0.00 178.31 176.46 2npf s LEU 463 N -5.38 0.57 -0.11 1.54 2.96 -1.05 -4.89 118.68 112.32 2npf s LEU 463 Ca 0.00 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2npf s LEU 463 Cb 0.09 1.58 0.06 0.00 0.50 0.00 0.00 46.19 48.42 2npf s LEU 463 CO 0.42 -0.60 0.22 -0.76 -1.32 0.00 0.00 176.35 174.31 2npf s LEU 464 N -1.81 -0.13 0.00 -0.68 1.43 -1.26 -4.66 118.68 111.57 2npf s LEU 464 Ca -0.08 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2npf s LEU 464 Cb -0.02 0.53 0.00 0.00 0.03 0.00 0.00 46.19 46.73 2npf s LEU 464 CO -0.00 -0.23 0.00 0.29 0.23 0.00 0.00 176.35 176.63 2npf n LYS 465 N 5.22 0.00 -1.17 1.70 5.02 -1.26 -4.90 118.16 122.77 2npf n LYS 465 Ca -0.08 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 2npf n LYS 465 Cb 0.50 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.62 2npf n LYS 465 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2npf s THR 466 N 0.00 2.89 0.03 -0.18 -4.23 -1.26 -4.37 115.64 108.51 2npf s THR 466 Ca 0.00 0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.72 2npf s THR 466 Cb 0.00 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.20 2npf s THR 466 CO 0.00 -0.35 0.48 0.61 -0.54 0.00 0.00 174.62 174.81 2npf n GLY 467 N -0.61 0.70 3.05 3.99 0.00 -0.91 -4.56 105.19 106.84 2npf n GLY 467 Ca 0.10 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2npf n GLY 467 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2npf s THR 468 N -2.21 -0.03 -0.26 2.61 2.01 -1.01 -2.30 115.64 114.45 2npf s THR 468 Ca 0.11 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 2npf s THR 468 Cb -0.01 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 72.18 2npf s THR 468 CO 0.01 0.05 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.18 2npf s LEU 469 N 0.96 3.32 0.31 4.42 1.02 -0.20 0.15 118.68 128.66 2npf s LEU 469 Ca -0.07 -0.89 0.09 0.00 0.02 0.00 0.00 54.13 53.28 2npf s LEU 469 Cb -0.08 -1.69 -0.06 0.00 0.02 0.00 0.00 46.19 44.38 2npf s LEU 469 CO -0.06 -0.15 -0.11 0.42 0.02 0.00 0.00 176.35 176.48 2npf s THR 470 N 1.34 2.10 -0.23 5.49 -4.23 -0.98 -1.60 115.64 117.52 2npf s THR 470 Ca -0.00 -2.22 0.02 0.00 -1.18 0.00 0.00 61.69 58.31 2npf s THR 470 Cb -0.17 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.18 2npf s THR 470 CO -0.03 -0.29 0.43 1.07 -0.54 0.00 0.00 174.62 175.25 2npf n THR 471 N -0.68 0.00 -4.01 3.99 5.66 -1.15 -0.80 114.28 117.29 2npf n THR 471 Ca -0.05 -0.49 -0.21 0.00 -3.05 0.00 0.00 64.05 60.25 2npf n THR 471 Cb 0.63 1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 70.41 2npf n THR 471 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2npf s SER 472 N -0.49 5.90 -0.10 1.09 0.15 -1.26 -4.86 113.70 114.13 2npf s SER 472 Ca 0.02 -0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.63 2npf s SER 472 Cb 0.02 -1.60 -0.24 0.00 -1.71 0.00 0.00 66.02 62.49 2npf s SER 472 CO 0.05 -0.08 0.44 1.21 1.20 0.00 0.00 173.24 176.06 2npf n GLU 473 N -1.31 0.68 0.07 5.44 2.13 -1.26 -3.91 120.64 122.48 2npf n GLU 473 Ca -0.08 0.24 0.13 0.00 0.66 0.00 0.00 57.16 58.12 2npf n GLU 473 Cb 0.58 -1.72 0.43 0.00 0.27 0.00 0.00 31.44 31.00 2npf n GLU 473 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2npf n THR 474 N -3.17 0.39 -1.59 6.31 -2.24 -1.26 -4.82 114.28 107.90 2npf n THR 474 Ca -0.25 -0.20 -0.45 0.00 -2.27 0.00 0.00 64.05 60.87 2npf n THR 474 Cb 1.06 -0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 2npf n THR 474 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2npf n ALA 475 N -1.70 1.47 -1.00 6.98 0.00 -1.25 -4.97 120.51 120.03 2npf n ALA 475 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2npf n ALA 475 Cb 0.40 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.11 2npf n ALA 475 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2npf n HIS 476 N 9.89 -3.47 -3.94 0.00 8.25 -1.26 -4.83 115.22 119.86 2npf n HIS 476 Ca 0.29 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.55 2npf n HIS 476 Cb 0.37 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 2npf n HIS 476 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2npf s ASN 477 N -1.23 6.24 0.34 0.41 0.02 -1.26 -4.98 114.94 114.48 2npf s ASN 477 Ca 0.00 0.03 0.01 0.00 -1.02 0.00 0.00 52.86 51.88 2npf s ASN 477 Cb 0.00 -1.78 -0.03 0.00 0.02 0.00 0.00 41.25 39.46 2npf s ASN 477 CO 0.00 -0.10 0.53 -0.04 0.02 0.00 0.00 177.10 177.52 2npf s MET 478 N -3.99 3.42 -0.68 -0.60 -1.94 -1.26 -2.13 119.30 112.11 2npf s MET 478 Ca 0.35 -0.44 -0.25 0.00 -1.71 0.00 0.00 55.69 53.64 2npf s MET 478 Cb -0.09 -2.69 -0.13 0.00 2.01 0.00 0.00 34.83 33.93 2npf s MET 478 CO 0.29 0.14 2.43 1.17 -0.01 0.00 0.00 175.02 179.03 2npf n LYS 479 N -1.76 0.70 -4.16 2.03 4.81 -0.64 -4.82 118.16 114.31 2npf n LYS 479 Ca -0.04 -0.32 -0.24 0.00 -0.87 0.00 0.00 58.31 56.83 2npf n LYS 479 Cb 0.57 -3.20 -0.07 0.00 0.02 0.00 0.00 35.03 32.34 2npf n LYS 479 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2npf s VAL 480 N 12.10 2.55 0.44 3.15 -7.23 -1.26 -5.03 120.40 125.11 2npf s VAL 480 Ca 1.02 -1.75 -0.25 0.00 -1.81 0.00 0.00 61.98 59.19 2npf s VAL 480 Cb -0.30 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.60 2npf s VAL 480 CO 0.24 -0.09 1.34 -0.04 -0.31 0.00 0.00 175.10 176.25 2npf s MET 481 N -3.85 3.78 0.45 4.82 1.00 -1.26 -5.01 119.30 119.24 2npf s MET 481 Ca 0.39 2.24 -0.03 0.00 0.00 0.00 0.00 55.69 58.29 2npf s MET 481 Cb 0.01 -2.66 -0.02 0.00 0.00 0.00 0.00 34.83 32.16 2npf s MET 481 CO 0.22 -0.67 0.72 0.15 0.00 0.00 0.00 175.02 175.43 2npf s LYS 482 N -2.40 3.37 0.43 2.03 -0.14 -1.26 -4.87 119.74 116.90 2npf s LYS 482 Ca 0.60 -0.08 0.08 0.00 -1.36 0.00 0.00 55.97 55.21 2npf s LYS 482 Cb -0.40 -2.47 0.01 0.00 -1.68 0.00 0.00 37.83 33.30 2npf s LYS 482 CO 0.51 -0.18 0.56 -0.06 -0.76 0.00 0.00 175.35 175.41 2npf s PHE 483 N -2.63 2.70 -0.28 3.18 0.40 -1.26 -5.10 117.98 115.00 2npf s PHE 483 Ca 0.46 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.32 2npf s PHE 483 Cb -0.10 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.11 2npf s PHE 483 CO 0.41 -0.43 0.01 0.45 0.70 0.00 0.00 175.22 176.36 2npf s SER 484 N -4.34 4.73 -0.00 1.36 0.15 -1.26 -4.97 113.70 109.37 2npf s SER 484 Ca 0.55 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 56.31 2npf s SER 484 Cb -0.09 -1.76 0.02 0.00 -1.71 0.00 0.00 66.02 62.48 2npf s SER 484 CO 0.33 -0.18 1.01 0.52 1.20 0.00 0.00 173.24 176.12 2npf n VAL 485 N 4.74 1.01 -4.00 4.45 0.31 -1.26 -4.90 118.33 118.67 2npf n VAL 485 Ca -0.15 -1.02 -0.27 0.00 -0.01 0.00 0.00 64.34 62.89 2npf n VAL 485 Cb 0.47 0.49 -0.04 0.00 -0.91 0.00 0.00 33.84 33.84 2npf n VAL 485 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2npf s SER 486 N -1.03 5.97 -0.34 4.52 0.01 -1.26 -5.01 113.70 116.57 2npf s SER 486 Ca 0.01 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.04 2npf s SER 486 Cb 0.01 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 2npf s SER 486 CO 0.01 0.08 1.57 -2.84 0.41 0.00 0.00 173.24 172.47 2npf s PRO 487 N -3.06 3.57 0.00 12.44 0.02 -1.26 -4.40 135.00 142.30 2npf s PRO 487 Ca 0.33 1.28 0.02 0.00 0.02 0.00 0.00 61.00 62.64 2npf s PRO 487 Cb -0.11 -4.07 0.01 0.00 0.02 0.00 0.00 34.50 30.35 2npf s PRO 487 CO 0.26 -1.57 0.50 1.33 -0.33 0.00 0.00 177.00 177.19 2npf n VAL 488 N 6.99 0.00 -3.90 3.83 0.24 -0.07 -4.49 118.33 120.93 2npf n VAL 488 Ca 0.19 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 2npf n VAL 488 Cb 0.47 1.03 -0.11 0.00 -1.47 0.00 0.00 33.84 33.76 2npf n VAL 488 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2npf s VAL 489 N -0.24 0.07 0.06 3.34 -7.23 -1.07 -4.48 120.40 110.86 2npf s VAL 489 Ca 0.02 -0.57 -0.26 0.00 -1.81 0.00 0.00 61.98 59.35 2npf s VAL 489 Cb 0.01 -0.30 0.08 0.00 0.56 0.00 0.00 36.38 36.74 2npf s VAL 489 CO 0.02 -0.31 0.70 0.00 -0.31 0.00 0.00 175.10 175.20 2npf s GLN 490 N -1.01 1.10 0.05 4.82 -2.07 -1.26 0.91 119.66 122.20 2npf s GLN 490 Ca -0.11 -0.25 -0.08 0.00 -1.82 0.00 0.00 55.36 53.11 2npf s GLN 490 Cb -0.06 0.51 -0.00 0.00 -1.09 0.00 0.00 33.01 32.36 2npf s GLN 490 CO 0.00 -0.45 0.16 0.14 -1.32 0.00 0.00 175.29 173.82 2npf s VAL 491 N -2.93 0.13 0.30 3.63 -7.23 -0.02 -4.76 120.40 109.52 2npf s VAL 491 Ca -0.01 -1.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.93 2npf s VAL 491 Cb -0.01 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 2npf s VAL 491 CO -0.06 -0.57 0.82 0.00 -0.31 0.00 0.00 175.10 174.97 2npf s ALA 492 N -2.85 3.28 -0.08 1.32 0.00 0.74 -0.79 121.76 123.38 2npf s ALA 492 Ca -0.03 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.20 2npf s ALA 492 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2npf s ALA 492 CO -0.06 0.26 -0.07 0.08 0.00 0.00 0.00 175.76 175.97 2npf s VAL 493 N -1.75 0.86 0.06 0.00 1.01 0.14 -1.63 120.40 119.08 2npf s VAL 493 Ca 0.50 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.27 2npf s VAL 493 Cb -0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2npf s VAL 493 CO 0.20 0.32 -0.12 -0.70 0.00 0.00 0.00 175.10 174.79 2npf s GLU 494 N 1.27 0.75 0.41 2.72 2.56 -0.85 -4.09 118.70 121.47 2npf s GLU 494 Ca -0.04 -0.84 -0.19 0.00 0.00 0.00 0.00 54.97 53.89 2npf s GLU 494 Cb -0.14 -0.69 -0.10 0.00 2.00 0.00 0.00 34.13 35.20 2npf s GLU 494 CO -0.03 0.15 0.90 0.14 -0.56 0.00 0.00 175.26 175.86 2npf s VAL 495 N -1.19 4.48 0.09 3.70 -7.23 -1.26 0.11 120.40 119.09 2npf s VAL 495 Ca -0.03 1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 61.45 2npf s VAL 495 Cb -0.09 -3.61 -0.26 0.00 0.56 0.00 0.00 36.38 32.97 2npf s VAL 495 CO 0.02 -0.31 1.18 0.11 -0.31 0.00 0.00 175.10 175.79 2npf h LYS 496 N 1.92 0.20 -4.78 4.82 1.57 -1.56 -3.42 116.57 115.31 2npf h LYS 496 Ca -0.49 -0.33 -0.68 0.00 -1.87 0.00 0.00 60.65 57.28 2npf h LYS 496 Cb 1.18 0.12 -0.33 0.00 0.08 0.00 0.00 32.23 33.28 2npf h LYS 496 CO 0.62 1.16 -0.71 -0.80 -0.57 0.00 0.00 179.45 179.14 2npf s ASN 497 N -7.03 4.84 0.20 0.86 0.01 -1.26 -5.00 114.94 107.56 2npf s ASN 497 Ca -0.03 -1.31 0.13 0.00 -0.71 0.00 0.00 52.86 50.95 2npf s ASN 497 Cb 0.08 -1.69 0.72 0.00 0.41 0.00 0.00 41.25 40.77 2npf s ASN 497 CO 0.87 -0.26 0.81 0.00 -1.51 0.00 0.00 177.10 177.01 2npf n ALA 498 N 4.59 0.59 0.47 0.60 0.00 -1.26 -0.26 120.51 125.24 2npf n ALA 498 Ca -0.13 0.50 0.11 0.00 0.00 0.00 0.00 53.44 53.91 2npf n ALA 498 Cb 0.43 -0.53 0.45 0.00 0.00 0.00 0.00 19.45 19.80 2npf n ALA 498 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2npf n ASN 499 N -3.99 0.50 -0.20 0.00 4.13 -1.26 -2.92 115.26 111.52 2npf n ASN 499 Ca 0.20 0.61 0.14 0.00 1.68 0.00 0.00 54.58 57.21 2npf n ASN 499 Cb 0.71 -0.72 0.49 0.00 -1.54 0.00 0.00 39.78 38.72 2npf n ASN 499 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2npf n ASP 500 N -2.04 0.81 -0.31 6.41 8.00 0.64 -4.40 116.55 125.66 2npf n ASP 500 Ca 0.03 -0.80 0.11 0.00 0.71 0.00 0.00 54.79 54.84 2npf n ASP 500 Cb 0.24 0.04 0.24 0.00 -0.02 0.00 0.00 41.12 41.61 2npf n ASP 500 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2npf h LEU 501 N 1.00 -0.39 -1.64 0.64 6.46 -1.71 0.35 115.31 120.02 2npf h LEU 501 Ca 0.00 0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 2npf h LEU 501 Cb 0.44 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 2npf h LEU 501 CO 0.00 -0.27 -0.09 -0.65 -0.62 0.00 0.00 178.44 176.81 2npf h PRO 502 N 0.07 0.11 -0.22 5.25 0.11 -1.87 -0.30 132.00 135.14 2npf h PRO 502 Ca 0.53 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.47 2npf h PRO 502 Cb 1.03 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2npf h PRO 502 CO -0.81 0.22 -0.48 0.87 -0.21 0.00 0.00 178.00 177.59 2npf h LYS 503 N 0.11 0.59 -0.24 1.05 1.57 -0.63 -0.64 116.57 118.37 2npf h LYS 503 Ca 0.02 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 2npf h LYS 503 Cb 0.24 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2npf h LYS 503 CO 0.01 0.94 -0.02 1.25 -0.57 0.00 0.00 179.45 181.06 2npf h LEU 504 N 0.47 0.43 -0.85 2.94 5.85 -0.63 0.22 115.31 123.74 2npf h LEU 504 Ca 0.03 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.45 2npf h LEU 504 Cb 1.01 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2npf h LEU 504 CO 0.09 0.66 0.55 0.58 -0.34 0.00 0.00 178.44 179.98 2npf h VAL 505 N 0.20 1.15 -0.16 1.05 2.07 -0.96 0.10 116.25 119.70 2npf h VAL 505 Ca 0.07 -0.37 -0.19 0.00 0.82 0.00 0.00 66.70 67.02 2npf h VAL 505 Cb 0.45 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2npf h VAL 505 CO 0.02 0.20 -0.68 -0.08 0.02 0.00 0.00 177.57 177.04 2npf h GLU 506 N 1.07 0.65 -0.74 1.57 4.57 -0.98 -3.02 114.58 117.70 2npf h GLU 506 Ca 0.33 -0.49 -0.05 0.00 -1.18 0.00 0.00 59.36 57.98 2npf h GLU 506 Cb -0.01 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2npf h GLU 506 CO -0.11 1.11 0.28 0.78 -1.18 0.00 0.00 179.01 179.89 2npf h GLY 507 N 0.89 1.20 1.58 1.92 0.00 0.06 -1.25 103.07 107.46 2npf h GLY 507 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 2npf h GLY 507 CO 0.13 0.62 0.12 1.41 0.00 0.00 0.00 176.54 178.82 2npf h LEU 508 N 1.08 0.49 -0.20 3.11 3.38 -0.77 0.31 115.31 122.72 2npf h LEU 508 Ca 0.25 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 2npf h LEU 508 Cb 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2npf h LEU 508 CO -0.02 0.47 -0.55 0.11 0.09 0.00 0.00 178.44 178.54 2npf h LYS 509 N 0.54 0.72 0.08 1.13 1.57 -1.27 -2.86 116.57 116.48 2npf h LYS 509 Ca 0.13 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2npf h LYS 509 Cb 0.16 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2npf h LYS 509 CO -0.01 1.13 -0.04 0.00 -0.57 0.00 0.00 179.45 179.97 2npf h ARG 510 N 0.43 -0.10 -0.57 3.15 3.08 -0.70 -2.42 114.38 117.25 2npf h ARG 510 Ca -0.01 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.15 2npf h ARG 510 Cb 1.17 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 31.13 2npf h ARG 510 CO 0.12 0.02 -0.25 1.25 -1.07 0.00 0.00 179.97 180.04 2npf h LEU 511 N -0.21 -0.88 -0.35 3.04 5.85 -0.44 -1.75 115.31 120.58 2npf h LEU 511 Ca -0.01 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2npf h LEU 511 Cb 0.17 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2npf h LEU 511 CO 0.02 -0.27 0.18 0.28 -0.34 0.00 0.00 178.44 178.31 2npf h SER 512 N -0.11 0.26 -0.24 1.25 0.02 -1.37 -1.88 113.55 111.49 2npf h SER 512 Ca 0.25 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 2npf h SER 512 Cb 0.51 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2npf h SER 512 CO -0.64 0.20 0.02 0.11 -1.14 0.00 0.00 176.83 175.38 2npf h LYS 513 N 0.37 0.10 0.00 3.45 1.57 -0.86 -2.00 116.57 119.19 2npf h LYS 513 Ca 0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2npf h LYS 513 Cb 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2npf h LYS 513 CO -0.10 0.07 0.00 -1.13 -0.57 0.00 0.00 179.45 177.72 2npf n SER 514 N -5.12 0.00 -3.49 0.86 3.41 -0.73 -4.52 113.62 104.04 2npf n SER 514 Ca -0.02 0.19 -0.24 0.00 -0.26 0.00 0.00 58.87 58.54 2npf n SER 514 Cb 0.11 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.57 2npf n SER 514 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2npf s ASP 515 N -2.72 2.75 0.61 4.04 -1.08 -0.73 -5.00 116.67 114.54 2npf s ASP 515 Ca 0.15 -1.03 0.33 0.00 -0.52 0.00 0.00 52.55 51.47 2npf s ASP 515 Cb 0.12 -0.01 1.94 0.00 -1.46 0.00 0.00 42.92 43.51 2npf s ASP 515 CO 0.30 -0.41 2.28 -0.65 0.52 0.00 0.00 175.17 177.20 2npf h PRO 516 N 8.35 0.00 -0.35 4.34 0.11 -1.79 -2.32 132.00 140.35 2npf h PRO 516 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2npf h PRO 516 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2npf h PRO 516 CO 0.39 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 2npf s VAL 518 N -1.55 5.25 -0.04 0.00 0.11 -0.87 -4.38 120.40 118.92 2npf s VAL 518 Ca 0.37 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2npf s VAL 518 Cb 0.21 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 31.43 2npf s VAL 518 CO 0.30 0.01 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.77 2npf s LEU 519 N -2.89 1.59 0.06 2.54 2.96 -0.99 -4.92 118.68 117.03 2npf s LEU 519 Ca 0.34 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2npf s LEU 519 Cb -0.12 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 2npf s LEU 519 CO 0.28 0.02 -0.13 0.42 -1.32 0.00 0.00 176.35 175.61 2npf s THR 520 N 0.57 0.98 0.13 3.68 -4.23 -1.26 -0.54 115.64 114.97 2npf s THR 520 Ca -0.09 -1.24 -0.26 0.00 -1.18 0.00 0.00 61.69 58.91 2npf s THR 520 Cb -0.13 -0.96 0.07 0.00 1.34 0.00 0.00 72.50 72.82 2npf s THR 520 CO 0.01 -0.25 1.03 -0.72 -0.54 0.00 0.00 174.62 174.15 2npf s TYR 521 N -1.28 -0.10 -0.22 3.99 -0.85 -0.77 -4.99 117.35 113.13 2npf s TYR 521 Ca -0.04 -0.18 -0.10 0.00 -0.52 0.00 0.00 57.07 56.23 2npf s TYR 521 Cb -0.10 0.63 -0.05 0.00 0.38 0.00 0.00 41.96 42.82 2npf s TYR 521 CO 0.02 -0.74 0.14 1.41 -1.52 0.00 0.00 175.55 174.86 2npf s MET 522 N -3.05 4.14 0.62 -3.49 -2.45 -1.26 -0.78 119.30 113.03 2npf s MET 522 Ca 0.13 -0.24 -0.13 0.00 -1.25 0.00 0.00 55.69 54.21 2npf s MET 522 Cb -0.00 -3.47 -0.03 0.00 1.25 0.00 0.00 34.83 32.58 2npf s MET 522 CO 0.01 0.20 1.04 -1.54 1.05 0.00 0.00 175.02 175.78 2npf s SER 523 N 0.64 5.97 0.53 1.11 1.04 0.69 -4.89 113.70 118.79 2npf s SER 523 Ca 0.08 1.57 0.25 0.00 0.48 0.00 0.00 55.95 58.33 2npf s SER 523 Cb -0.12 -2.49 1.39 0.00 0.10 0.00 0.00 66.02 64.90 2npf s SER 523 CO 0.01 -1.04 2.00 -0.08 0.98 0.00 0.00 173.24 175.10 2npf h GLU 524 N -0.10 0.00 -0.95 4.02 4.57 -1.91 0.83 114.58 121.03 2npf h GLU 524 Ca -0.45 -0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.41 2npf h GLU 524 Cb 1.20 -0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 29.60 2npf h GLU 524 CO 0.60 0.00 0.40 0.43 -1.18 0.00 0.00 179.01 179.26 2npf n SER 525 N -4.38 3.69 -1.46 1.04 7.64 -1.26 -4.91 113.62 113.98 2npf n SER 525 Ca 0.10 -3.09 -0.15 0.00 1.01 0.00 0.00 58.87 56.74 2npf n SER 525 Cb 0.60 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 2npf n SER 525 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2npf n GLY 526 N -0.51 0.56 3.68 0.23 0.00 0.28 -5.03 105.19 104.41 2npf n GLY 526 Ca 0.40 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2npf n GLY 526 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2npf s GLU 527 N -4.08 2.50 -0.24 1.61 2.02 -1.25 -4.83 118.70 114.42 2npf s GLU 527 Ca 0.00 -0.91 -0.25 0.00 0.02 0.00 0.00 54.97 53.83 2npf s GLU 527 Cb 0.00 -2.49 -0.00 0.00 0.10 0.00 0.00 34.13 31.74 2npf s GLU 527 CO 0.00 0.52 0.86 -1.01 0.02 0.00 0.00 175.26 175.65 2npf s HIS 528 N -1.41 3.31 -0.07 1.61 3.76 -1.26 -0.22 115.29 121.01 2npf s HIS 528 Ca 0.26 1.17 -0.01 0.00 -0.15 0.00 0.00 55.06 56.33 2npf s HIS 528 Cb -0.11 -3.09 -0.03 0.00 1.11 0.00 0.00 32.58 30.45 2npf s HIS 528 CO 0.18 -0.42 -0.00 0.42 -0.85 0.00 0.00 174.74 174.07 2npf s ILE 529 N 2.91 4.23 -0.08 0.60 -1.09 0.04 0.28 121.20 128.08 2npf s ILE 529 Ca 0.36 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 2npf s ILE 529 Cb -0.15 -2.79 0.02 0.00 -1.58 0.00 0.00 42.46 37.96 2npf s ILE 529 CO 0.07 0.57 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.59 2npf s VAL 530 N -0.91 0.88 0.07 2.92 1.01 0.03 -1.84 120.40 122.55 2npf s VAL 530 Ca 0.14 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.96 2npf s VAL 530 Cb -0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2npf s VAL 530 CO 0.04 0.32 -0.25 0.00 0.00 0.00 0.00 175.10 175.21 2npf s ALA 531 N 1.32 2.35 0.41 5.51 0.00 0.30 -0.84 121.76 130.81 2npf s ALA 531 Ca -0.03 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.66 2npf s ALA 531 Cb -0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2npf s ALA 531 CO -0.03 0.54 0.09 0.20 0.00 0.00 0.00 175.76 176.56 2npf s GLY 532 N -1.49 2.56 0.42 0.00 0.00 0.26 -2.33 107.32 106.74 2npf s GLY 532 Ca 0.13 -1.30 0.21 0.00 0.00 0.00 0.00 44.72 43.76 2npf s GLY 532 CO 0.04 -1.89 1.84 -0.84 0.00 0.00 0.00 173.10 172.25 2npf h THR 533 N 1.79 0.80 -2.11 0.90 2.02 -1.77 -0.10 112.91 114.44 2npf h THR 533 Ca -0.38 -1.18 0.29 0.00 0.77 0.00 0.00 66.41 65.91 2npf h THR 533 Cb 1.27 1.73 -0.07 0.00 -1.74 0.00 0.00 68.15 69.34 2npf h THR 533 CO 0.63 0.28 0.79 -0.83 0.37 0.00 0.00 175.52 176.76 2npf s GLY 534 N -4.30 -0.12 0.10 2.16 0.00 -1.26 -4.47 107.32 99.43 2npf s GLY 534 Ca -0.01 0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.55 2npf s GLY 534 CO 0.66 3.53 1.72 0.83 0.00 0.00 0.00 173.10 179.83 2npf h GLU 535 N 2.00 -0.10 -0.32 2.90 5.08 -1.96 -1.40 114.58 120.79 2npf h GLU 535 Ca -0.25 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2npf h GLU 535 Cb 1.20 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2npf h GLU 535 CO 0.32 -0.07 0.11 1.25 -1.00 0.00 0.00 179.01 179.62 2npf h LEU 536 N -0.10 0.13 -0.44 1.33 5.85 -1.99 0.11 115.31 120.20 2npf h LEU 536 Ca 0.02 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.85 2npf h LEU 536 Cb 0.12 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 2npf h LEU 536 CO -0.04 0.11 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.41 2npf h HIS 537 N 0.25 -0.05 -0.12 1.25 2.76 -1.90 -1.83 115.15 115.51 2npf h HIS 537 Ca 0.14 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2npf h HIS 537 Cb 0.11 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 2npf h HIS 537 CO -0.14 -0.10 -0.00 1.25 -1.30 0.00 0.00 177.93 177.64 2npf h LEU 538 N 0.10 -0.05 -0.75 0.26 5.85 -0.28 -1.86 115.31 118.57 2npf h LEU 538 Ca 0.22 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.12 2npf h LEU 538 Cb 0.32 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.29 2npf h LEU 538 CO -0.37 -0.01 0.23 -0.33 -0.34 0.00 0.00 178.44 177.62 2npf h GLU 539 N 0.04 0.31 -0.04 1.25 4.39 -0.01 0.42 114.58 120.93 2npf h GLU 539 Ca 0.06 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.51 2npf h GLU 539 Cb 0.07 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2npf h GLU 539 CO -0.10 0.21 -0.91 0.97 -1.16 0.00 0.00 179.01 178.02 2npf h ILE 540 N 0.32 1.34 -0.84 3.13 2.10 -1.16 -2.23 117.51 120.17 2npf h ILE 540 Ca 0.43 -2.26 0.11 0.00 1.08 0.00 0.00 64.86 64.21 2npf h ILE 540 Cb 0.72 2.28 -0.08 0.00 -1.09 0.00 0.00 36.82 38.65 2npf h ILE 540 CO -0.49 0.69 0.47 0.00 -1.08 0.00 0.00 178.15 177.74 2npf h LEU 542 N 0.75 0.55 -0.13 0.00 3.38 -0.88 0.15 115.31 119.12 2npf h LEU 542 Ca 0.42 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2npf h LEU 542 Cb 0.45 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2npf h LEU 542 CO -0.28 0.74 0.06 -0.61 0.09 0.00 0.00 178.44 178.43 2npf h GLN 543 N 0.34 0.12 -0.62 1.13 5.75 -0.57 0.16 115.11 121.42 2npf h GLN 543 Ca 0.08 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2npf h GLN 543 Cb 0.47 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 2npf h GLN 543 CO 0.02 0.08 0.39 -0.44 -2.65 0.00 0.00 178.83 176.23 2npf h ASP 544 N 0.13 0.65 0.58 -0.69 5.19 0.10 -1.64 116.42 120.74 2npf h ASP 544 Ca 0.05 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 2npf h ASP 544 Cb 0.02 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.39 2npf h ASP 544 CO -0.05 0.46 -0.28 0.25 -3.12 0.00 0.00 179.24 176.50 2npf h LEU 545 N 0.78 -0.66 -0.60 1.55 5.85 -0.43 0.29 115.31 122.08 2npf h LEU 545 Ca 0.24 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2npf h LEU 545 Cb -0.01 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2npf h LEU 545 CO -0.09 -0.39 0.33 -0.08 -0.34 0.00 0.00 178.44 177.88 2npf h GLU 546 N -0.92 0.61 0.00 1.25 4.81 -0.63 0.89 114.58 120.59 2npf h GLU 546 Ca -0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2npf h GLU 546 Cb 0.65 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2npf h GLU 546 CO 0.13 0.40 -1.11 0.72 -0.73 0.00 0.00 179.01 178.43 2npf n HIS 547 N -4.81 0.12 0.00 0.92 8.25 -0.62 -1.01 115.22 118.07 2npf n HIS 547 Ca 0.06 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2npf n HIS 547 Cb 0.14 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 30.96 2npf n HIS 547 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2npf n ASP 548 N -1.81 0.00 -0.32 0.41 9.92 0.93 -4.44 116.55 121.24 2npf n ASP 548 Ca 0.02 0.00 0.17 0.00 -0.53 0.00 0.00 54.79 54.45 2npf n ASP 548 Cb 0.41 0.00 0.34 0.00 -0.64 0.00 0.00 41.12 41.23 2npf n ASP 548 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 2npf h HIS 549 N 0.00 0.29 0.00 1.24 3.86 -1.37 -2.92 115.15 116.25 2npf h HIS 549 Ca 0.00 0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 2npf h HIS 549 Cb 0.00 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2npf h HIS 549 CO 0.00 -0.33 -1.32 0.00 0.86 0.00 0.00 177.93 177.14 2npf n ALA 550 N -2.78 2.10 -3.70 2.45 0.00 0.29 -3.77 120.51 115.10 2npf n ALA 550 Ca 0.25 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 2npf n ALA 550 Cb 0.81 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 20.18 2npf n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2npf n GLY 551 N 2.33 -0.91 3.57 0.00 0.00 -0.91 -4.69 105.19 104.57 2npf n GLY 551 Ca -0.04 0.76 -0.13 0.00 0.00 0.00 0.00 46.02 46.61 2npf n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2npf s VAL 552 N -2.57 0.00 0.01 1.61 1.01 -0.18 -4.99 120.40 115.29 2npf s VAL 552 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2npf s VAL 552 Cb -0.01 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 2npf s VAL 552 CO 0.89 0.00 1.75 -2.84 0.00 0.00 0.00 175.10 174.89 2npf s PRO 553 N -0.93 4.17 0.34 2.72 0.02 -1.26 -4.74 135.00 135.33 2npf s PRO 553 Ca -0.04 2.35 0.08 0.00 0.02 0.00 0.00 61.00 63.41 2npf s PRO 553 Cb -0.01 -3.93 -0.03 0.00 0.02 0.00 0.00 34.50 30.54 2npf s PRO 553 CO 0.04 -0.85 0.22 -0.51 -0.33 0.00 0.00 177.00 175.57 2npf s LEU 554 N 3.78 3.41 -0.31 -5.54 1.43 -1.26 -1.47 118.68 118.72 2npf s LEU 554 Ca 0.78 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2npf s LEU 554 Cb -0.38 -1.95 0.10 0.00 0.03 0.00 0.00 46.19 43.99 2npf s LEU 554 CO 0.34 -0.35 0.07 -0.75 0.23 0.00 0.00 176.35 175.89 2npf s LYS 555 N -3.93 0.96 0.22 1.70 2.20 0.30 -4.79 119.74 116.40 2npf s LYS 555 Ca 0.40 -1.24 -0.26 0.00 -0.36 0.00 0.00 55.97 54.51 2npf s LYS 555 Cb -0.04 -2.33 -0.09 0.00 -1.51 0.00 0.00 37.83 33.87 2npf s LYS 555 CO 0.25 -0.94 0.84 0.42 -0.36 0.00 0.00 175.35 175.56 2npf s ILE 556 N 1.44 4.29 0.13 5.43 1.09 -1.26 -2.00 121.20 130.31 2npf s ILE 556 Ca 0.09 1.78 -0.24 0.00 -1.10 0.00 0.00 60.65 61.17 2npf s ILE 556 Cb -0.18 -4.14 0.08 0.00 -1.06 0.00 0.00 42.46 37.16 2npf s ILE 556 CO -0.19 0.42 0.65 -0.94 -0.10 0.00 0.00 174.94 174.77 2npf s SER 557 N -1.29 -0.54 0.12 3.58 1.04 -0.65 -4.98 113.70 110.98 2npf s SER 557 Ca 0.40 0.02 -0.31 0.00 0.48 0.00 0.00 55.95 56.54 2npf s SER 557 Cb -0.22 0.56 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 2npf s SER 557 CO 0.27 -0.91 1.74 -2.84 0.98 0.00 0.00 173.24 172.48 2npf s PRO 558 N -3.58 4.16 0.56 4.02 0.02 -1.26 -0.19 135.00 138.73 2npf s PRO 558 Ca 0.01 2.50 -0.21 0.00 0.02 0.00 0.00 61.00 63.32 2npf s PRO 558 Cb -0.01 -3.48 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 2npf s PRO 558 CO -0.12 -0.77 1.33 -1.25 -0.33 0.00 0.00 177.00 175.85 2npf s PRO 559 N 2.33 3.09 0.05 5.54 0.04 -1.26 -4.73 135.00 140.06 2npf s PRO 559 Ca 0.77 2.15 -0.30 0.00 0.04 0.00 0.00 61.00 63.66 2npf s PRO 559 Cb -0.44 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 2npf s PRO 559 CO 0.34 -1.20 1.16 0.08 0.04 0.00 0.00 177.00 177.42 2npf s VAL 560 N -1.35 4.18 0.12 -0.36 1.01 -1.26 -5.01 120.40 117.72 2npf s VAL 560 Ca 0.73 1.56 -0.21 0.00 0.00 0.00 0.00 61.98 64.06 2npf s VAL 560 Cb -0.39 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 2npf s VAL 560 CO 0.45 0.12 0.65 -0.69 0.00 0.00 0.00 175.10 175.63 2npf s VAL 561 N 1.06 4.60 0.07 2.92 1.01 -1.26 -4.71 120.40 124.09 2npf s VAL 561 Ca 0.58 1.38 -0.11 0.00 0.00 0.00 0.00 61.98 63.83 2npf s VAL 561 Cb -0.28 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 2npf s VAL 561 CO 0.29 0.52 0.41 0.00 0.00 0.00 0.00 175.10 176.32 2npf s ALA 562 N -1.16 3.71 0.46 5.51 0.00 -1.26 -5.02 121.76 124.01 2npf s ALA 562 Ca 0.32 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2npf s ALA 562 Cb -0.20 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2npf s ALA 562 CO 0.22 0.55 0.02 0.71 0.00 0.00 0.00 175.76 177.25 2npf s TYR 563 N -1.37 2.07 -0.00 0.00 2.02 -1.26 -4.17 117.35 114.63 2npf s TYR 563 Ca 0.32 -0.89 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 2npf s TYR 563 Cb -0.14 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2npf s TYR 563 CO 0.18 0.25 -0.11 1.03 -1.57 0.00 0.00 175.55 175.32 2npf s ARG 564 N -3.81 0.87 -0.25 -0.62 1.81 -0.42 -4.26 118.95 112.28 2npf s ARG 564 Ca 0.18 -0.43 -0.12 0.00 -1.72 0.00 0.00 55.73 53.64 2npf s ARG 564 Cb 0.05 -0.84 -0.05 0.00 -0.45 0.00 0.00 34.95 33.66 2npf s ARG 564 CO 0.09 0.23 0.22 -1.21 -0.68 0.00 0.00 175.30 173.95 2npf s GLU 565 N -0.36 4.05 0.32 3.54 2.02 0.19 0.76 118.70 129.22 2npf s GLU 565 Ca 0.04 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 54.90 2npf s GLU 565 Cb -0.05 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2npf s GLU 565 CO -0.00 -0.04 0.27 -0.08 0.02 0.00 0.00 175.26 175.43 2npf s THR 566 N 1.34 0.00 0.02 3.63 -1.32 0.04 -1.17 115.64 118.17 2npf s THR 566 Ca 0.10 -1.99 0.08 0.00 -1.21 0.00 0.00 61.69 58.67 2npf s THR 566 Cb -0.14 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.32 2npf s THR 566 CO 0.07 0.00 -0.24 0.68 -2.21 0.00 0.00 174.62 172.92 2npf s VAL 567 N -3.51 1.90 -0.23 5.08 -7.23 -1.26 0.11 120.40 115.26 2npf s VAL 567 Ca 0.40 -1.18 0.21 0.00 -1.81 0.00 0.00 61.98 59.61 2npf s VAL 567 Cb 0.03 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.36 2npf s VAL 567 CO 0.26 0.40 1.07 -0.08 -0.31 0.00 0.00 175.10 176.43 2npf h GLU 568 N 5.14 0.00 0.00 4.82 4.57 -1.19 -3.40 114.58 124.51 2npf h GLU 568 Ca -0.43 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 2npf h GLU 568 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2npf h GLU 568 CO 0.45 0.07 0.03 -1.13 -1.18 0.00 0.00 179.01 177.26 2npf n SER 569 N -2.78 -0.27 -4.85 1.04 3.41 -1.00 -4.81 113.62 104.37 2npf n SER 569 Ca -0.02 -1.19 -0.32 0.00 -0.26 0.00 0.00 58.87 57.08 2npf n SER 569 Cb 0.61 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 2npf n SER 569 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2npf s GLU 570 N -2.02 3.93 0.01 4.33 2.12 -1.26 -4.15 118.70 121.67 2npf s GLU 570 Ca 0.02 0.85 -0.37 0.00 0.36 0.00 0.00 54.97 55.83 2npf s GLU 570 Cb -0.01 -2.20 -0.16 0.00 0.26 0.00 0.00 34.13 32.02 2npf s GLU 570 CO 0.02 -0.19 1.45 0.43 -0.54 0.00 0.00 175.26 176.43 2npf n SER 571 N -1.43 1.94 0.17 -1.70 7.64 0.54 -4.52 113.62 116.26 2npf n SER 571 Ca 0.06 1.10 0.12 0.00 1.01 0.00 0.00 58.87 61.16 2npf n SER 571 Cb 0.54 -1.20 0.60 0.00 -1.01 0.00 0.00 64.21 63.14 2npf n SER 571 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2npf n SER 572 N 3.28 0.60 -3.55 6.43 3.41 0.11 -4.71 113.62 119.18 2npf n SER 572 Ca 0.20 0.77 -0.10 0.00 -0.26 0.00 0.00 58.87 59.47 2npf n SER 572 Cb 0.19 -0.85 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 2npf n SER 572 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2npf s GLN 573 N -3.55 0.68 0.29 4.33 -2.07 -1.26 -5.14 119.66 112.94 2npf s GLN 573 Ca -0.02 0.01 -0.28 0.00 -1.82 0.00 0.00 55.36 53.25 2npf s GLN 573 Cb 0.07 0.32 -0.14 0.00 -1.09 0.00 0.00 33.01 32.17 2npf s GLN 573 CO 0.22 -0.24 1.09 2.41 -1.32 0.00 0.00 175.29 177.45 2npf n THR 574 N 0.42 1.90 -3.32 3.63 -1.04 -1.26 -4.92 114.28 109.69 2npf n THR 574 Ca -0.10 -0.47 -0.38 0.00 -2.04 0.00 0.00 64.05 61.06 2npf n THR 574 Cb 0.59 -1.13 -0.06 0.00 -1.82 0.00 0.00 70.33 67.90 2npf n THR 574 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2npf s ALA 575 N -0.98 3.51 -0.03 2.41 0.00 -0.23 -4.95 121.76 121.49 2npf s ALA 575 Ca 0.59 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.31 2npf s ALA 575 Cb -0.68 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2npf s ALA 575 CO 0.60 -0.16 -0.24 -1.17 0.00 0.00 0.00 175.76 174.78 2npf s LEU 576 N 0.99 2.05 -0.19 0.00 2.96 -1.26 -1.70 118.68 121.53 2npf s LEU 576 Ca 0.24 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.59 2npf s LEU 576 Cb -0.15 -1.29 0.07 0.00 0.50 0.00 0.00 46.19 45.32 2npf s LEU 576 CO 0.09 0.27 0.44 -0.44 -1.32 0.00 0.00 176.35 175.40 2npf s SER 577 N -0.40 -0.49 -0.03 3.68 0.01 -1.00 -0.97 113.70 114.50 2npf s SER 577 Ca 0.04 0.99 -0.07 0.00 1.31 0.00 0.00 55.95 58.23 2npf s SER 577 Cb -0.11 1.03 -0.04 0.00 0.21 0.00 0.00 66.02 67.10 2npf s SER 577 CO 0.01 -0.21 0.23 -1.59 0.41 0.00 0.00 173.24 172.09 2npf s LYS 578 N 1.81 3.54 0.92 12.44 -2.85 -1.26 -1.27 119.74 133.07 2npf s LYS 578 Ca -0.07 -0.09 -0.12 0.00 -1.00 0.00 0.00 55.97 54.69 2npf s LYS 578 Cb -0.09 -3.13 0.14 0.00 -2.06 0.00 0.00 37.83 32.69 2npf s LYS 578 CO -0.14 0.70 1.09 -1.54 0.10 0.00 0.00 175.35 175.56 2npf s SER 579 N -1.48 3.28 0.00 0.03 1.04 0.13 -4.82 113.70 111.88 2npf s SER 579 Ca 0.23 1.38 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2npf s SER 579 Cb -0.13 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2npf s SER 579 CO 0.13 -2.74 0.14 -2.65 0.98 0.00 0.00 173.24 169.10 2npf n PRO 580 N -3.94 0.16 -0.05 4.02 -0.02 -1.26 -0.57 135.00 133.34 2npf n PRO 580 Ca 0.06 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.50 2npf n PRO 580 Cb 0.56 -1.02 -0.10 0.00 -0.02 0.00 0.00 33.50 32.92 2npf n PRO 580 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2npf n ASN 581 N -0.28 1.93 0.00 2.55 3.02 -1.26 -4.95 115.26 116.26 2npf n ASN 581 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2npf n ASN 581 Cb 0.01 0.93 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 2npf n ASN 581 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2npf n LYS 582 N -2.39 -0.06 -0.05 3.52 5.02 0.26 -4.87 118.16 119.60 2npf n LYS 582 Ca -0.18 0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.09 2npf n LYS 582 Cb 0.82 -2.85 -0.03 0.00 -0.02 0.00 0.00 35.03 32.95 2npf n LYS 582 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2npf h HIS 583 N 0.00 -0.02 -3.22 2.13 3.86 -1.93 -3.47 115.15 112.50 2npf h HIS 583 Ca 0.00 -0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.63 2npf h HIS 583 Cb 0.03 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 2npf h HIS 583 CO 0.02 0.23 -0.11 -0.80 0.86 0.00 0.00 177.93 178.12 2npf s ASN 584 N -5.69 6.86 -0.05 2.45 0.02 -1.26 -4.75 114.94 112.52 2npf s ASN 584 Ca -0.05 1.07 -0.02 0.00 -1.02 0.00 0.00 52.86 52.84 2npf s ASN 584 Cb -0.01 -2.28 0.03 0.00 0.02 0.00 0.00 41.25 39.01 2npf s ASN 584 CO 0.17 0.19 0.10 -0.13 0.02 0.00 0.00 177.10 177.46 2npf s ARG 585 N -1.60 0.06 -0.16 -0.60 0.52 -1.13 -0.69 118.95 115.34 2npf s ARG 585 Ca 0.33 0.27 -0.03 0.00 -0.52 0.00 0.00 55.73 55.78 2npf s ARG 585 Cb -0.16 -0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.13 2npf s ARG 585 CO 0.18 -0.14 -0.07 0.42 0.02 0.00 0.00 175.30 175.71 2npf s ILE 586 N 0.92 3.52 -0.34 1.52 1.01 -0.40 -1.89 121.20 125.55 2npf s ILE 586 Ca -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2npf s ILE 586 Cb -0.10 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 39.91 2npf s ILE 586 CO -0.04 0.49 0.07 -0.31 0.00 0.00 0.00 174.94 175.15 2npf s TYR 587 N 0.56 3.38 0.34 3.97 4.12 0.59 -2.38 117.35 127.94 2npf s TYR 587 Ca -0.05 -2.05 0.03 0.00 0.02 0.00 0.00 57.07 55.03 2npf s TYR 587 Cb -0.15 -2.49 -0.04 0.00 -1.52 0.00 0.00 41.96 37.77 2npf s TYR 587 CO 0.03 -0.85 0.12 -0.48 0.02 0.00 0.00 175.55 174.39 2npf s LEU 588 N 1.22 1.90 0.08 -1.29 0.05 -0.69 -0.78 118.68 119.17 2npf s LEU 588 Ca -0.00 -1.55 -0.08 0.00 0.05 0.00 0.00 54.13 52.55 2npf s LEU 588 Cb -0.21 -0.06 -0.01 0.00 -2.05 0.00 0.00 46.19 43.87 2npf s LEU 588 CO -0.02 -0.83 0.17 -0.54 -0.55 0.00 0.00 176.35 174.58 2npf s LYS 589 N -3.81 0.81 0.11 1.48 1.02 -0.50 -1.07 119.74 117.78 2npf s LYS 589 Ca 0.32 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.39 2npf s LYS 589 Cb 0.05 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 2npf s LYS 589 CO 0.16 -0.25 -0.15 0.00 -0.92 0.00 0.00 175.35 174.19 2npf s ALA 590 N -3.81 1.47 0.13 5.17 0.00 -1.26 0.54 121.76 123.99 2npf s ALA 590 Ca 0.05 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 2npf s ALA 590 Cb 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2npf s ALA 590 CO -0.11 0.15 0.36 -1.83 0.00 0.00 0.00 175.76 174.34 2npf s GLU 591 N -2.38 1.07 0.02 0.00 -1.05 0.11 -0.34 118.70 116.13 2npf s GLU 591 Ca 0.06 -0.82 -0.30 0.00 -0.15 0.00 0.00 54.97 53.77 2npf s GLU 591 Cb -0.07 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 2npf s GLU 591 CO 0.03 -0.41 0.96 -1.25 0.95 0.00 0.00 175.26 175.54 2npf s PRO 592 N -3.84 4.58 0.43 -4.83 0.04 -1.26 -1.04 135.00 129.07 2npf s PRO 592 Ca 0.05 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.32 2npf s PRO 592 Cb 0.02 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 2npf s PRO 592 CO -0.10 0.00 0.88 0.42 0.04 0.00 0.00 177.00 178.25 2npf s ILE 593 N 0.82 4.57 0.44 0.56 1.01 0.83 -4.89 121.20 124.54 2npf s ILE 593 Ca 0.50 1.13 -0.23 0.00 0.00 0.00 0.00 60.65 62.06 2npf s ILE 593 Cb -0.21 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 2npf s ILE 593 CO 0.28 -0.43 1.07 -1.81 0.00 0.00 0.00 174.94 174.04 2npf s ASP 594 N -2.64 6.49 0.17 3.58 1.01 -1.26 -4.87 116.67 119.16 2npf s ASP 594 Ca 0.57 2.06 -0.15 0.00 0.71 0.00 0.00 52.55 55.75 2npf s ASP 594 Cb -0.10 -2.58 0.12 0.00 1.01 0.00 0.00 42.92 41.37 2npf s ASP 594 CO 0.23 -0.68 1.74 -0.33 0.21 0.00 0.00 175.17 176.33 2npf h GLU 595 N 2.10 0.26 -0.95 8.23 4.39 -1.98 0.13 114.58 126.76 2npf h GLU 595 Ca -0.49 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.36 2npf h GLU 595 Cb 1.22 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.72 2npf h GLU 595 CO 0.61 0.17 0.55 0.93 -1.16 0.00 0.00 179.01 180.11 2npf h GLU 596 N 0.26 0.73 -0.04 2.33 3.07 -1.99 0.12 114.58 119.06 2npf h GLU 596 Ca 0.20 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 2npf h GLU 596 Cb 0.23 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2npf h GLU 596 CO -0.24 0.48 -0.36 0.28 -1.40 0.00 0.00 179.01 177.78 2npf h VAL 597 N 0.75 1.45 -0.84 3.13 2.07 -1.64 -1.86 116.25 119.31 2npf h VAL 597 Ca 0.52 -1.84 0.10 0.00 0.82 0.00 0.00 66.70 66.31 2npf h VAL 597 Cb 0.74 2.48 -0.06 0.00 -1.52 0.00 0.00 31.29 32.93 2npf h VAL 597 CO -0.36 0.52 0.55 0.28 0.02 0.00 0.00 177.57 178.58 2npf h SER 598 N -0.23 0.71 -0.46 0.57 0.02 -0.30 0.26 113.55 114.12 2npf h SER 598 Ca -0.03 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2npf h SER 598 Cb 1.04 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2npf h SER 598 CO 0.07 0.41 -0.04 0.25 -1.14 0.00 0.00 176.83 176.38 2npf h LEU 599 N 0.78 0.84 -0.61 5.07 5.85 -0.77 0.13 115.31 126.59 2npf h LEU 599 Ca 0.39 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2npf h LEU 599 Cb 0.48 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2npf h LEU 599 CO -0.16 0.97 -0.04 0.00 -0.34 0.00 0.00 178.44 178.86 2npf h ALA 600 N 0.90 0.82 0.46 1.25 0.00 -0.14 0.24 119.26 122.79 2npf h ALA 600 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2npf h ALA 600 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2npf h ALA 600 CO 0.03 0.67 -0.22 0.82 0.00 0.00 0.00 179.25 180.55 2npf h ILE 601 N 0.95 0.55 -0.93 0.00 1.08 -0.30 -0.13 117.51 118.73 2npf h ILE 601 Ca 0.16 -0.07 0.08 0.00 -0.39 0.00 0.00 64.86 64.64 2npf h ILE 601 Cb 0.61 0.58 -0.07 0.00 -3.07 0.00 0.00 36.82 34.87 2npf h ILE 601 CO 0.04 0.01 0.58 -0.33 -0.69 0.00 0.00 178.15 177.76 2npf h GLU 602 N -0.65 1.00 -0.02 2.37 5.08 -0.56 -1.86 114.58 119.93 2npf h GLU 602 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2npf h GLU 602 Cb 0.49 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2npf h GLU 602 CO 0.10 0.66 0.00 0.09 -1.00 0.00 0.00 179.01 178.87 2npf n ASN 603 N -4.59 0.34 0.00 1.42 3.02 0.83 -4.90 115.26 111.38 2npf n ASN 603 Ca 0.15 -1.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 2npf n ASN 603 Cb 0.22 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 2npf n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2npf n GLY 604 N 0.92 0.64 0.19 7.41 0.00 -0.70 -4.93 105.19 108.72 2npf n GLY 604 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 2npf n GLY 604 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2npf h ILE 605 N 0.00 1.33 -3.54 -0.61 2.04 -1.25 -3.34 117.51 112.14 2npf h ILE 605 Ca 0.00 -1.97 -0.77 0.00 1.00 0.00 0.00 64.86 63.13 2npf h ILE 605 Cb 0.00 2.22 -0.27 0.00 -0.74 0.00 0.00 36.82 38.03 2npf h ILE 605 CO 0.00 0.60 -0.08 -0.63 0.00 0.00 0.00 178.15 178.04 2npf s ILE 606 N -3.58 5.19 -0.04 -0.67 1.01 -1.00 -5.00 121.20 117.11 2npf s ILE 606 Ca -0.12 -2.18 -0.02 0.00 0.00 0.00 0.00 60.65 58.34 2npf s ILE 606 Cb 0.06 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2npf s ILE 606 CO 0.86 -0.95 0.06 0.21 0.00 0.00 0.00 174.94 175.13 2npf s ASN 607 N 2.48 5.60 0.38 3.58 3.84 -1.26 -4.37 114.94 125.19 2npf s ASN 607 Ca 0.12 0.18 0.20 0.00 0.21 0.00 0.00 52.86 53.58 2npf s ASN 607 Cb -0.18 -1.62 0.24 0.00 -0.55 0.00 0.00 41.25 39.14 2npf s ASN 607 CO -0.04 0.32 1.54 -0.65 -2.79 0.00 0.00 177.10 175.48 2npf h PRO 608 N 4.55 0.00 -0.01 0.43 0.11 -1.94 -3.26 132.00 131.89 2npf h PRO 608 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2npf h PRO 608 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2npf h PRO 608 CO 0.59 0.16 -0.12 2.89 -0.21 0.00 0.00 178.00 181.30 2npf n ARG 609 N -3.13 1.25 -1.98 1.05 1.85 -1.26 -4.92 116.66 109.52 2npf n ARG 609 Ca 0.03 -0.72 -0.31 0.00 -1.00 0.00 0.00 57.85 55.86 2npf n ARG 609 Cb 0.60 -1.49 0.01 0.00 -1.05 0.00 0.00 32.46 30.53 2npf n ARG 609 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2npf s ASP 610 N -2.25 6.24 0.61 2.89 1.01 -1.23 -5.01 116.67 118.93 2npf s ASP 610 Ca 0.31 1.36 -0.19 0.00 0.71 0.00 0.00 52.55 54.75 2npf s ASP 610 Cb 0.20 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 2npf s ASP 610 CO 0.43 -0.83 1.26 -1.81 0.21 0.00 0.00 175.17 174.43 2npf s ASP 611 N -4.14 4.97 0.27 0.27 1.01 -1.26 -4.77 116.67 113.02 2npf s ASP 611 Ca 0.54 2.53 0.00 0.00 0.71 0.00 0.00 52.55 56.33 2npf s ASP 611 Cb -0.11 -2.61 0.52 0.00 1.01 0.00 0.00 42.92 41.73 2npf s ASP 611 CO 0.52 -1.75 1.82 0.15 0.21 0.00 0.00 175.17 176.13 2npf h PHE 612 N 0.83 1.07 -0.88 4.23 3.57 -1.95 -1.45 116.94 122.36 2npf h PHE 612 Ca -0.51 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.12 2npf h PHE 612 Cb 1.31 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.65 2npf h PHE 612 CO 0.44 0.41 0.53 1.57 -2.23 0.00 0.00 178.31 179.04 2npf h LYS 613 N 0.93 0.87 0.07 1.11 2.10 -1.99 0.50 116.57 120.17 2npf h LYS 613 Ca 0.48 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 59.07 2npf h LYS 613 Cb 0.48 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2npf h LYS 613 CO -0.27 0.58 -0.04 0.00 -2.00 0.00 0.00 179.45 177.72 2npf h ALA 614 N 1.46 -0.10 -0.67 0.07 0.00 -1.64 -2.37 119.26 116.01 2npf h ALA 614 Ca 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2npf h ALA 614 Cb 0.34 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2npf h ALA 614 CO -0.23 -0.40 0.35 -0.09 0.00 0.00 0.00 179.25 178.89 2npf h ARG 615 N -0.42 0.95 -0.52 0.00 2.43 -0.78 -2.44 114.38 113.61 2npf h ARG 615 Ca -0.01 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2npf h ARG 615 Cb 0.36 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2npf h ARG 615 CO 0.02 0.73 0.30 0.00 -1.51 0.00 0.00 179.97 179.50 2npf h ALA 616 N 1.17 0.67 0.26 2.80 0.00 -0.02 -1.74 119.26 122.40 2npf h ALA 616 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2npf h ALA 616 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2npf h ALA 616 CO -0.04 0.17 -0.12 0.00 0.00 0.00 0.00 179.25 179.26 2npf h ARG 617 N 0.70 -0.33 -0.10 0.00 3.08 -1.26 -2.30 114.38 114.16 2npf h ARG 617 Ca 0.19 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.30 2npf h ARG 617 Cb 0.02 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 2npf h ARG 617 CO -0.03 -0.20 -0.26 0.82 -1.07 0.00 0.00 179.97 179.23 2npf h ILE 618 N -0.38 0.40 -0.11 2.04 2.04 -1.31 0.56 117.51 120.75 2npf h ILE 618 Ca -0.04 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 2npf h ILE 618 Cb 0.29 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2npf h ILE 618 CO 0.06 0.00 -0.29 0.24 0.00 0.00 0.00 178.15 178.16 2npf h MET 619 N -0.34 0.20 0.08 2.37 2.86 -1.32 -1.61 114.93 117.16 2npf h MET 619 Ca 0.09 -0.07 -0.24 0.00 -2.06 0.00 0.00 59.70 57.42 2npf h MET 619 Cb 0.48 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2npf h MET 619 CO -0.30 0.48 -1.23 0.00 1.06 0.00 0.00 176.91 176.93 2npf h ALA 620 N 1.52 0.18 0.00 6.32 0.00 -1.02 0.97 119.26 127.23 2npf h ALA 620 Ca 0.03 -1.05 -0.29 0.00 0.00 0.00 0.00 54.91 53.60 2npf h ALA 620 Cb 0.61 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2npf h ALA 620 CO 0.04 0.71 -1.65 -0.44 0.00 0.00 0.00 179.25 177.92 2npf h ASP 621 N -0.51 0.01 0.00 0.00 3.32 0.04 -3.24 116.42 116.04 2npf h ASP 621 Ca -0.28 -0.02 -0.35 0.00 0.02 0.00 0.00 57.03 56.41 2npf h ASP 621 Cb 1.59 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.07 2npf h ASP 621 CO -0.00 1.02 -2.30 0.47 -1.72 0.00 0.00 179.24 176.70 2npf n ASP 622 N -3.08 1.18 -1.09 6.45 9.92 -0.66 -4.52 116.55 124.74 2npf n ASP 622 Ca -0.16 -0.06 0.09 0.00 -0.53 0.00 0.00 54.79 54.14 2npf n ASP 622 Cb 1.04 0.38 0.26 0.00 -0.64 0.00 0.00 41.12 42.16 2npf n ASP 622 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2npf n TYR 623 N -2.90 0.91 -2.48 1.24 4.01 -0.87 -5.00 117.16 112.07 2npf n TYR 623 Ca -0.35 -0.57 -0.15 0.00 -0.16 0.00 0.00 57.90 56.67 2npf n TYR 623 Cb 1.04 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.96 2npf n TYR 623 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2npf n GLY 624 N 0.87 -0.50 3.88 2.72 0.00 -1.15 -4.92 105.19 106.08 2npf n GLY 624 Ca 0.20 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2npf n GLY 624 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2npf s TRP 625 N -2.74 3.58 0.34 1.61 0.52 0.32 -4.98 118.94 117.58 2npf s TRP 625 Ca 0.02 1.21 -0.29 0.00 0.02 0.00 0.00 56.10 57.06 2npf s TRP 625 Cb -0.01 -2.74 -0.11 0.00 -1.15 0.00 0.00 33.47 29.46 2npf s TRP 625 CO 0.02 -0.73 1.45 -0.51 0.02 0.00 0.00 176.95 177.21 2npf s ASP 626 N -4.20 6.50 0.50 2.95 -0.00 -1.26 -4.45 116.67 116.71 2npf s ASP 626 Ca 0.55 2.89 0.34 0.00 -0.00 0.00 0.00 52.55 56.33 2npf s ASP 626 Cb -0.11 -2.65 1.72 0.00 -0.00 0.00 0.00 42.92 41.87 2npf s ASP 626 CO 0.53 -0.77 2.03 1.62 -0.00 0.00 0.00 175.17 178.58 2npf h VAL 627 N 3.13 0.00 -0.00 -1.27 3.04 -1.94 -2.61 116.25 116.59 2npf h VAL 627 Ca -0.49 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2npf h VAL 627 Cb 1.23 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 2npf h VAL 627 CO 0.69 0.00 -0.39 0.35 -1.01 0.00 0.00 177.57 177.21 2npf n THR 628 N -2.77 0.00 -0.03 3.17 -2.24 -1.26 -4.30 114.28 106.85 2npf n THR 628 Ca -0.01 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 2npf n THR 628 Cb 0.13 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 2npf n THR 628 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2npf h ASP 629 N 0.76 0.07 -1.23 3.42 3.32 -1.84 -3.30 116.42 117.63 2npf h ASP 629 Ca 0.00 -0.63 0.44 0.00 0.02 0.00 0.00 57.03 56.86 2npf h ASP 629 Cb 0.51 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 39.90 2npf h ASP 629 CO 0.00 0.69 0.76 0.00 -1.72 0.00 0.00 179.24 178.97 2npf h ALA 630 N 0.39 2.55 0.00 3.45 0.00 -1.75 0.75 119.26 124.64 2npf h ALA 630 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2npf h ALA 630 Cb 0.69 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2npf h ALA 630 CO 0.01 -1.24 0.00 -0.09 0.00 0.00 0.00 179.25 177.93 2npf h ARG 631 N 0.06 0.00 0.00 0.00 2.43 -1.83 -3.26 114.38 111.77 2npf h ARG 631 Ca 0.84 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 60.01 2npf h ARG 631 Cb 2.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.05 2npf h ARG 631 CO -0.55 0.00 -0.89 1.63 -1.51 0.00 0.00 179.97 178.66 2npf n LYS 632 N -3.07 0.27 -1.90 0.20 5.02 0.25 -4.91 118.16 114.03 2npf n LYS 632 Ca 0.04 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2npf n LYS 632 Cb 0.53 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 2npf n LYS 632 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2npf s ILE 633 N -3.18 2.67 -0.06 -0.18 -4.36 -0.84 -2.07 121.20 113.19 2npf s ILE 633 Ca 0.05 0.39 0.05 0.00 -0.26 0.00 0.00 60.65 60.87 2npf s ILE 633 Cb 0.14 -3.25 -0.25 0.00 1.25 0.00 0.00 42.46 40.36 2npf s ILE 633 CO 0.77 0.02 0.60 -0.50 0.24 0.00 0.00 174.94 176.08 2npf h TRP 634 N 7.34 0.21 -1.77 1.37 4.06 -0.03 -3.48 115.95 123.64 2npf h TRP 634 Ca -0.43 -0.15 0.26 0.00 2.06 0.00 0.00 58.89 60.63 2npf h TRP 634 Cb 1.20 -0.01 -0.11 0.00 -1.00 0.00 0.00 29.16 29.24 2npf h TRP 634 CO 0.69 1.30 0.70 0.00 -3.56 0.00 0.00 178.44 177.57 2npf s PHE 636 N -2.73 2.58 0.05 0.00 0.08 -1.23 -2.70 117.98 114.03 2npf s PHE 636 Ca 0.13 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 56.87 2npf s PHE 636 Cb 0.02 -1.50 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2npf s PHE 636 CO -0.02 0.22 0.11 0.20 -0.10 0.00 0.00 175.22 175.63 2npf s GLY 637 N -1.26 0.18 0.05 4.36 0.00 -0.24 -3.10 107.32 107.32 2npf s GLY 637 Ca 0.14 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 2npf s GLY 637 CO 0.04 -0.77 0.07 -1.55 0.00 0.00 0.00 173.10 170.90 2npf n PRO 638 N 0.49 0.19 -2.59 2.90 -0.04 -1.26 -2.43 135.00 132.25 2npf n PRO 638 Ca -0.17 -0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.02 2npf n PRO 638 Cb 0.60 -0.07 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2npf n PRO 638 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2npf n ASP 639 N -3.03 -3.37 0.00 3.54 8.00 -1.26 -0.99 116.55 119.44 2npf n ASP 639 Ca 0.01 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2npf n ASP 639 Cb 0.04 -2.88 0.00 0.00 -0.02 0.00 0.00 41.12 38.26 2npf n ASP 639 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2npf n GLY 640 N -0.81 2.42 0.71 0.44 0.00 -1.18 -4.66 105.19 102.12 2npf n GLY 640 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 2npf n GLY 640 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2npf n ASN 641 N 0.65 0.86 -4.79 1.61 0.23 -1.02 -3.52 115.26 109.28 2npf n ASN 641 Ca 0.00 -2.39 -0.29 0.00 -0.53 0.00 0.00 54.58 51.37 2npf n ASN 641 Cb 0.00 -0.30 0.13 0.00 -2.08 0.00 0.00 39.78 37.53 2npf n ASN 641 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2npf s GLY 642 N -1.83 1.58 -0.71 4.83 0.00 -0.16 -4.76 107.32 106.27 2npf s GLY 642 Ca 0.19 -0.45 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 2npf s GLY 642 CO -0.05 0.08 3.15 -1.55 0.00 0.00 0.00 173.10 174.73 2npf n PRO 643 N -3.71 2.62 -3.82 2.90 -0.04 -1.22 -3.42 135.00 128.31 2npf n PRO 643 Ca 0.07 -1.47 -0.12 0.00 -0.04 0.00 0.00 63.50 61.93 2npf n PRO 643 Cb 0.59 -2.33 -0.13 0.00 -0.04 0.00 0.00 33.50 31.59 2npf n PRO 643 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2npf s ASN 644 N 2.20 -0.14 0.17 3.54 0.01 -1.02 -1.01 114.94 118.69 2npf s ASN 644 Ca 0.64 0.28 0.07 0.00 -0.71 0.00 0.00 52.86 53.14 2npf s ASN 644 Cb 0.24 0.28 -0.04 0.00 0.41 0.00 0.00 41.25 42.13 2npf s ASN 644 CO -0.03 -0.05 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.60 2npf s LEU 645 N 0.13 2.50 -0.29 0.60 1.43 -0.40 -1.07 118.68 121.57 2npf s LEU 645 Ca -0.00 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.17 2npf s LEU 645 Cb -0.02 -0.64 0.08 0.00 0.03 0.00 0.00 46.19 45.64 2npf s LEU 645 CO -0.00 -0.15 -0.01 -0.69 0.23 0.00 0.00 176.35 175.73 2npf s VAL 646 N -2.65 1.89 -0.22 -1.59 1.01 -1.10 -1.00 120.40 116.74 2npf s VAL 646 Ca 0.18 -1.80 -0.06 0.00 0.00 0.00 0.00 61.98 60.30 2npf s VAL 646 Cb -0.02 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2npf s VAL 646 CO 0.05 -0.36 0.04 -0.63 0.00 0.00 0.00 175.10 174.20 2npf s ILE 647 N 1.16 4.24 -0.85 2.22 1.09 -0.40 0.74 121.20 129.39 2npf s ILE 647 Ca 0.02 -0.21 -0.25 0.00 -1.10 0.00 0.00 60.65 59.11 2npf s ILE 647 Cb -0.19 -2.95 0.03 0.00 -1.06 0.00 0.00 42.46 38.29 2npf s ILE 647 CO -0.09 0.39 1.44 -0.62 -0.10 0.00 0.00 174.94 175.96 2npf s ASP 648 N 1.20 6.15 -0.46 3.58 3.68 -0.88 -1.78 116.67 128.16 2npf s ASP 648 Ca 0.04 -0.81 0.04 0.00 2.13 0.00 0.00 52.55 53.95 2npf s ASP 648 Cb -0.14 -2.56 0.61 0.00 -1.45 0.00 0.00 42.92 39.37 2npf s ASP 648 CO 0.03 -1.81 1.86 0.00 0.13 0.00 0.00 175.17 175.38 2npf n GLN 649 N 9.13 2.30 -0.45 4.34 6.02 -1.10 -4.89 117.38 132.72 2npf n GLN 649 Ca 0.19 -3.11 -0.05 0.00 -0.01 0.00 0.00 57.00 54.02 2npf n GLN 649 Cb 0.50 -2.15 0.04 0.00 1.02 0.00 0.00 30.24 29.64 2npf n GLN 649 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2npf n THR 650 N -1.10 0.00 0.00 5.09 -2.24 -1.15 -4.66 114.28 110.23 2npf n THR 650 Ca 0.57 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 2npf n THR 650 Cb 1.40 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2npf n THR 650 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2npf n LYS 651 N -1.52 0.00 0.00 -0.78 5.02 -1.26 -4.96 118.16 114.67 2npf n LYS 651 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2npf n LYS 651 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 2npf n LYS 651 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2npf n ALA 652 N -3.00 1.34 -1.66 7.82 0.00 -1.26 -4.74 120.51 119.01 2npf n ALA 652 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2npf n ALA 652 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 2npf n ALA 652 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2npf n VAL 653 N -1.05 0.61 0.00 0.00 0.31 -1.26 -4.91 118.33 112.02 2npf n VAL 653 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2npf n VAL 653 Cb 0.00 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 2npf n VAL 653 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2npf n GLN 654 N 7.24 0.00 0.00 5.55 -0.06 -1.26 -3.91 117.38 124.93 2npf n GLN 654 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 2npf n GLN 654 Cb 0.34 -0.69 0.00 0.00 -4.06 0.00 0.00 30.24 25.83 2npf n GLN 654 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2npf n TYR 655 N -0.28 0.00 -0.50 3.69 4.01 -1.26 -4.41 117.16 118.41 2npf n TYR 655 Ca 0.00 -0.04 0.42 0.00 -0.16 0.00 0.00 57.90 58.12 2npf n TYR 655 Cb 0.00 -0.09 0.74 0.00 -0.31 0.00 0.00 39.34 39.68 2npf n TYR 655 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2npf h LEU 656 N 0.40 0.09 -0.77 7.72 5.85 -1.97 0.33 115.31 126.95 2npf h LEU 656 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2npf h LEU 656 Cb 0.40 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2npf h LEU 656 CO 0.00 -0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.06 2npf n HIS 657 N -4.23 0.04 0.04 1.25 1.44 -1.26 -3.85 115.22 108.65 2npf n HIS 657 Ca 0.36 -0.02 -0.00 0.00 -2.01 0.00 0.00 57.72 56.04 2npf n HIS 657 Cb 1.57 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 31.60 2npf n HIS 657 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2npf h GLU 658 N 1.77 0.00 -0.00 -1.40 4.39 -0.70 -3.35 114.58 115.29 2npf h GLU 658 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2npf h GLU 658 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2npf h GLU 658 CO 0.00 0.32 -0.59 0.44 -1.16 0.00 0.00 179.01 178.01 2npf n ILE 659 N -2.92 0.00 -0.30 3.13 -5.35 -1.25 -4.56 119.36 108.10 2npf n ILE 659 Ca -0.09 -0.06 0.10 0.00 -0.27 0.00 0.00 62.75 62.44 2npf n ILE 659 Cb 0.84 0.62 0.23 0.00 -1.74 0.00 0.00 39.64 39.58 2npf n ILE 659 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2npf h LYS 660 N 0.54 0.08 -0.68 6.28 3.64 -1.70 0.27 116.57 125.00 2npf h LYS 660 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2npf h LYS 660 Cb 0.53 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2npf h LYS 660 CO 0.00 0.05 0.39 -0.44 -2.27 0.00 0.00 179.45 177.19 2npf h ASP 661 N 0.08 0.81 -0.15 4.20 5.19 -1.88 0.02 116.42 124.70 2npf h ASP 661 Ca 0.51 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.80 2npf h ASP 661 Cb 0.97 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 2npf h ASP 661 CO -0.77 0.64 -0.17 0.28 -3.12 0.00 0.00 179.24 176.10 2npf h SER 662 N 0.93 0.41 -0.68 6.45 0.02 -0.86 -1.93 113.55 117.88 2npf h SER 662 Ca 0.24 -0.49 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2npf h SER 662 Cb -0.01 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 2npf h SER 662 CO -0.04 0.82 0.35 0.58 -1.14 0.00 0.00 176.83 177.39 2npf h VAL 663 N 0.00 1.22 -0.02 2.27 2.07 -0.84 0.16 116.25 121.12 2npf h VAL 663 Ca 0.02 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2npf h VAL 663 Cb 0.71 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2npf h VAL 663 CO 0.04 0.25 0.01 0.58 0.02 0.00 0.00 177.57 178.48 2npf h VAL 664 N 0.94 1.01 -0.70 2.57 2.07 -0.98 0.87 116.25 122.04 2npf h VAL 664 Ca 0.24 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2npf h VAL 664 Cb 0.08 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2npf h VAL 664 CO -0.03 0.01 0.39 0.00 0.02 0.00 0.00 177.57 177.95 2npf h ALA 665 N 1.00 0.89 -0.50 1.67 0.00 -1.05 0.57 119.26 121.84 2npf h ALA 665 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2npf h ALA 665 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2npf h ALA 665 CO -0.00 0.40 0.27 0.00 0.00 0.00 0.00 179.25 179.92 2npf h ALA 666 N 1.19 1.54 -0.24 0.00 0.00 -0.34 -2.29 119.26 119.13 2npf h ALA 666 Ca 0.25 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2npf h ALA 666 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2npf h ALA 666 CO -0.04 0.39 -0.27 0.35 0.00 0.00 0.00 179.25 179.68 2npf h PHE 667 N 0.69 0.72 -0.09 0.00 3.57 0.49 -1.96 116.94 120.36 2npf h PHE 667 Ca 0.18 -0.22 0.03 0.00 3.53 0.00 0.00 57.97 61.48 2npf h PHE 667 Cb 0.02 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 2npf h PHE 667 CO 0.00 0.94 0.10 1.96 -2.23 0.00 0.00 178.31 179.08 2npf h GLN 668 N 0.30 0.00 0.07 1.11 1.08 -0.56 -1.52 115.11 115.59 2npf h GLN 668 Ca 0.03 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2npf h GLN 668 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 2npf h GLN 668 CO 0.06 0.00 -0.03 2.35 -0.95 0.00 0.00 178.83 180.26 2npf h TRP 669 N 0.00 -0.09 -0.24 2.96 2.91 -1.12 -3.15 115.95 117.22 2npf h TRP 669 Ca 0.04 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.11 2npf h TRP 669 Cb 0.24 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.90 2npf h TRP 669 CO 0.00 0.12 0.17 0.00 -1.03 0.00 0.00 178.44 177.70 2npf h ALA 670 N -0.82 2.09 0.00 2.65 0.00 -1.05 -2.20 119.26 119.93 2npf h ALA 670 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2npf h ALA 670 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2npf h ALA 670 CO 0.02 -0.14 -0.62 1.79 0.00 0.00 0.00 179.25 180.29 2npf h THR 671 N 0.11 0.64 -0.06 0.00 1.35 -1.42 -3.15 112.91 110.38 2npf h THR 671 Ca 0.11 -1.96 -0.18 0.00 -0.55 0.00 0.00 66.41 63.83 2npf h THR 671 Cb 0.30 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.96 2npf h THR 671 CO -0.01 0.37 -0.73 0.50 -0.25 0.00 0.00 175.52 175.40 2npf h LYS 672 N 0.00 0.32 -2.70 4.72 1.63 -1.35 -0.41 116.57 118.77 2npf h LYS 672 Ca -0.03 -0.27 -0.57 0.00 -0.85 0.00 0.00 60.65 58.93 2npf h LYS 672 Cb 1.35 0.06 -0.39 0.00 -0.60 0.00 0.00 32.23 32.64 2npf h LYS 672 CO 0.05 0.92 -0.82 -1.21 -3.45 0.00 0.00 179.45 174.94 2npf s GLU 673 N -3.57 0.55 1.30 1.90 2.02 -1.10 -3.08 118.70 116.72 2npf s GLU 673 Ca -0.05 -1.22 -0.19 0.00 0.02 0.00 0.00 54.97 53.54 2npf s GLU 673 Cb 0.11 -1.40 0.31 0.00 0.10 0.00 0.00 34.13 33.25 2npf s GLU 673 CO 0.83 -1.16 0.80 0.41 0.02 0.00 0.00 175.26 176.16 2npf n GLY 674 N 4.28 -3.00 0.19 -1.39 0.00 0.25 -4.63 105.19 100.89 2npf n GLY 674 Ca 0.07 -1.36 0.11 0.00 0.00 0.00 0.00 46.02 44.84 2npf n GLY 674 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2npf h PRO 675 N -3.10 0.00 -0.29 1.61 0.13 -1.87 -1.78 132.00 126.71 2npf h PRO 675 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2npf h PRO 675 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2npf h PRO 675 CO 0.35 0.06 0.07 0.82 -0.23 0.00 0.00 178.00 179.07 2npf h ILE 676 N 0.00 1.22 0.00 -3.56 2.04 -1.93 -3.43 117.51 111.85 2npf h ILE 676 Ca -0.00 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 2npf h ILE 676 Cb 1.06 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 2npf h ILE 676 CO 0.01 0.24 -0.14 2.22 0.00 0.00 0.00 178.15 180.48 2npf n PHE 677 N -4.68 0.00 -1.03 1.37 -0.00 -1.26 -4.93 117.46 106.94 2npf n PHE 677 Ca -0.02 -0.24 -0.01 0.00 -0.00 0.00 0.00 57.45 57.18 2npf n PHE 677 Cb 0.18 0.36 -0.00 0.00 -0.00 0.00 0.00 39.48 40.02 2npf n PHE 677 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2npf n GLY 678 N 0.00 0.48 3.93 4.97 0.00 -0.67 -4.89 105.19 109.02 2npf n GLY 678 Ca -0.13 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 2npf n GLY 678 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2npf s GLU 679 N -1.50 3.51 0.67 1.61 0.41 -1.26 -4.35 118.70 117.79 2npf s GLU 679 Ca 0.00 -0.27 -0.17 0.00 -0.41 0.00 0.00 54.97 54.12 2npf s GLU 679 Cb 0.00 -2.66 0.01 0.00 -1.78 0.00 0.00 34.13 29.70 2npf s GLU 679 CO 0.00 0.15 1.25 -1.21 -0.49 0.00 0.00 175.26 174.96 2npf s GLU 680 N -4.19 2.44 0.36 1.61 2.02 -1.18 0.84 118.70 120.60 2npf s GLU 680 Ca 0.41 1.92 -0.06 0.00 0.02 0.00 0.00 54.97 57.26 2npf s GLU 680 Cb -0.10 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 2npf s GLU 680 CO 0.35 -1.65 0.66 -1.64 0.02 0.00 0.00 175.26 173.00 2npf s MET 681 N -3.57 3.65 -0.13 1.61 -1.94 -0.16 0.57 119.30 119.32 2npf s MET 681 Ca 0.79 0.14 -0.10 0.00 -1.71 0.00 0.00 55.69 54.81 2npf s MET 681 Cb -0.33 -2.53 0.04 0.00 2.01 0.00 0.00 34.83 34.02 2npf s MET 681 CO 0.41 0.06 0.34 0.50 -0.01 0.00 0.00 175.02 176.32 2npf s ARG 682 N -3.91 0.36 -1.41 2.03 3.52 -0.32 -4.77 118.95 114.45 2npf s ARG 682 Ca 0.46 0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 56.60 2npf s ARG 682 Cb -0.10 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 2npf s ARG 682 CO 0.33 -0.09 0.19 0.43 -0.81 0.00 0.00 175.30 175.35 2npf n SER 683 N 3.43 -5.19 -4.51 -2.12 7.64 -0.18 -4.39 113.62 108.30 2npf n SER 683 Ca -0.17 -0.10 -0.34 0.00 1.01 0.00 0.00 58.87 59.27 2npf n SER 683 Cb 0.56 -4.19 -0.12 0.00 -1.01 0.00 0.00 64.21 59.46 2npf n SER 683 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2npf s VAL 684 N -2.94 4.08 -0.14 0.44 1.01 -1.22 -0.12 120.40 121.51 2npf s VAL 684 Ca 0.09 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2npf s VAL 684 Cb -0.04 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2npf s VAL 684 CO 0.12 0.47 -0.20 -0.60 0.00 0.00 0.00 175.10 174.89 2npf s ARG 685 N 0.52 3.11 -0.18 2.72 3.52 -0.21 -1.28 118.95 127.15 2npf s ARG 685 Ca -0.01 -0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 54.74 2npf s ARG 685 Cb -0.14 -2.48 -0.01 0.00 -1.56 0.00 0.00 34.95 30.76 2npf s ARG 685 CO 0.02 0.04 -0.06 0.08 -0.81 0.00 0.00 175.30 174.57 2npf s VAL 686 N 0.70 3.42 -0.38 7.11 1.01 -0.17 0.06 120.40 132.14 2npf s VAL 686 Ca -0.09 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2npf s VAL 686 Cb -0.16 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2npf s VAL 686 CO 0.01 0.46 0.23 0.20 0.00 0.00 0.00 175.10 176.00 2npf s ASN 687 N 0.94 5.81 -1.15 3.32 0.01 0.19 -1.27 114.94 122.78 2npf s ASN 687 Ca -0.01 -1.00 -0.22 0.00 -0.71 0.00 0.00 52.86 50.92 2npf s ASN 687 Cb -0.15 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 2npf s ASN 687 CO 0.01 -0.41 1.83 -0.63 -1.51 0.00 0.00 177.10 176.39 2npf s ILE 688 N 1.57 3.72 0.16 0.60 1.01 -0.73 -1.41 121.20 126.12 2npf s ILE 688 Ca 0.02 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.43 2npf s ILE 688 Cb -0.19 -4.69 0.07 0.00 0.01 0.00 0.00 42.46 37.65 2npf s ILE 688 CO 0.07 -1.36 1.69 -0.07 0.00 0.00 0.00 174.94 175.27 2npf h LEU 689 N 15.88 -0.22 -7.04 2.97 3.38 -1.55 -2.88 115.31 125.84 2npf h LEU 689 Ca 0.26 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 2npf h LEU 689 Cb 0.94 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.71 2npf h LEU 689 CO 1.31 -0.07 0.17 -0.62 0.09 0.00 0.00 178.44 179.31 2npf s ASP 690 N -5.24 -0.59 0.00 -0.43 2.15 0.04 -3.88 116.67 108.72 2npf s ASP 690 Ca -0.14 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.23 2npf s ASP 690 Cb 0.14 0.55 -0.00 0.00 -0.30 0.00 0.00 42.92 43.30 2npf s ASP 690 CO 0.71 -0.74 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.27 2npf s VAL 691 N -2.24 0.02 -0.58 1.11 1.01 -1.26 -0.30 120.40 118.16 2npf s VAL 691 Ca -0.06 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2npf s VAL 691 Cb -0.00 -0.04 0.15 0.00 0.00 0.00 0.00 36.38 36.49 2npf s VAL 691 CO 0.00 -0.05 0.38 0.42 0.00 0.00 0.00 175.10 175.85 2npf s THR 692 N -0.16 2.20 0.92 3.92 -4.23 -0.79 -4.76 115.64 112.74 2npf s THR 692 Ca -0.02 -3.54 -0.16 0.00 -1.18 0.00 0.00 61.69 56.80 2npf s THR 692 Cb -0.01 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.56 2npf s THR 692 CO -0.00 -0.98 1.13 0.18 -0.54 0.00 0.00 174.62 174.41 2npf n LEU 693 N 2.61 0.00 0.00 4.79 4.77 -1.26 -2.85 117.00 125.06 2npf n LEU 693 Ca 0.16 -1.23 -0.17 0.00 -0.03 0.00 0.00 56.01 54.74 2npf n LEU 693 Cb 0.36 -0.90 0.09 0.00 -2.33 0.00 0.00 43.42 40.64 2npf n LEU 693 CO 0.25 -1.50 0.41 1.57 -1.33 0.00 0.00 177.39 176.79 2npf n HIS 694 N -3.86 -3.08 -0.08 -1.77 -0.00 -1.26 -4.87 115.22 100.29 2npf n HIS 694 Ca 0.14 -1.27 -0.13 0.00 -0.00 0.00 0.00 57.72 56.46 2npf n HIS 694 Cb 0.51 -0.54 -0.14 0.00 -0.00 0.00 0.00 29.99 29.82 2npf n HIS 694 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2npf n ALA 695 N -2.95 1.42 -2.91 1.57 0.00 -1.26 -4.91 120.51 111.47 2npf n ALA 695 Ca -0.12 -1.10 -0.31 0.00 0.00 0.00 0.00 53.44 51.91 2npf n ALA 695 Cb 0.43 -0.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 2npf n ALA 695 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2npf s ASP 696 N -6.02 6.32 0.32 0.00 1.11 -1.26 -5.00 116.67 112.13 2npf s ASP 696 Ca -0.17 0.25 0.13 0.00 0.18 0.00 0.00 52.55 52.94 2npf s ASP 696 Cb 0.07 -1.93 0.51 0.00 1.07 0.00 0.00 42.92 42.64 2npf s ASP 696 CO 0.76 0.17 1.69 0.00 1.18 0.00 0.00 175.17 178.97 2npf h ALA 697 N 3.08 1.08 -0.97 5.23 0.00 -1.98 -3.13 119.26 122.56 2npf h ALA 697 Ca -0.45 -0.47 0.21 0.00 0.00 0.00 0.00 54.91 54.20 2npf h ALA 697 Cb 1.16 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2npf h ALA 697 CO 0.75 0.64 0.62 0.82 0.00 0.00 0.00 179.25 182.08 2npf h ILE 698 N 0.00 0.67 -0.76 0.00 1.08 -2.02 -2.13 117.51 114.35 2npf h ILE 698 Ca -0.01 -0.19 -0.45 0.00 -0.39 0.00 0.00 64.86 63.82 2npf h ILE 698 Cb 0.95 0.05 -0.25 0.00 -3.07 0.00 0.00 36.82 34.50 2npf h ILE 698 CO 0.07 0.10 0.30 1.41 -0.69 0.00 0.00 178.15 179.34 2npf n HIS 699 N -4.64 2.44 -1.52 1.37 8.25 -1.18 -4.42 115.22 115.52 2npf n HIS 699 Ca 0.22 -2.11 0.00 0.00 -0.26 0.00 0.00 57.72 55.57 2npf n HIS 699 Cb 0.67 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.92 2npf n HIS 699 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2npf n ARG 700 N -1.04 0.00 0.00 -0.41 1.74 -0.82 -4.76 116.66 111.37 2npf n ARG 700 Ca 0.50 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 2npf n ARG 700 Cb 1.15 -0.24 0.00 0.00 -1.02 0.00 0.00 32.46 32.35 2npf n ARG 700 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2npf n GLY 701 N 0.00 -2.90 0.33 -0.13 0.00 -1.12 -4.33 105.19 97.04 2npf n GLY 701 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 2npf n GLY 701 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2npf h GLY 702 N -0.62 -1.11 -0.36 -0.02 0.00 -1.98 -2.40 103.07 96.58 2npf h GLY 702 Ca 0.00 0.53 0.28 0.00 0.00 0.00 0.00 47.33 48.14 2npf h GLY 702 CO 0.00 -0.34 0.91 -1.33 0.00 0.00 0.00 176.54 175.78 2npf h GLY 703 N -0.61 0.00 0.69 4.60 0.00 -2.01 -1.65 103.07 104.10 2npf h GLY 703 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.95 2npf h GLY 703 CO -0.09 0.00 -1.94 1.46 0.00 0.00 0.00 176.54 175.97 2npf h GLN 704 N 0.00 0.25 0.26 4.80 1.08 -1.76 -3.40 115.11 116.34 2npf h GLN 704 Ca 0.46 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2npf h GLN 704 Cb 2.27 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 29.86 2npf h GLN 704 CO -0.00 1.14 -0.13 0.82 -0.95 0.00 0.00 178.83 179.71 2npf h ILE 705 N 0.07 0.00 -0.52 2.54 1.08 -0.82 -3.30 117.51 116.55 2npf h ILE 705 Ca -0.40 -0.70 0.05 0.00 -0.39 0.00 0.00 64.86 63.41 2npf h ILE 705 Cb 2.04 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.73 2npf h ILE 705 CO 0.10 0.00 -0.31 -0.38 -0.69 0.00 0.00 178.15 176.87 2npf n ILE 706 N -4.90 -0.35 -0.35 -0.67 -0.00 -1.03 0.15 119.36 112.21 2npf n ILE 706 Ca -0.04 1.68 0.29 0.00 -0.00 0.00 0.00 62.75 64.67 2npf n ILE 706 Cb 0.14 -2.12 0.60 0.00 -0.00 0.00 0.00 39.64 38.26 2npf n ILE 706 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 2npf h PRO 707 N 0.00 0.23 -0.02 0.38 0.11 -1.77 0.69 132.00 131.62 2npf h PRO 707 Ca 0.08 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 2npf h PRO 707 Cb 0.21 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.28 2npf h PRO 707 CO -0.49 0.15 -0.52 1.15 -0.21 0.00 0.00 178.00 178.09 2npf h THR 708 N 0.24 1.43 0.19 -1.15 2.02 0.12 -2.43 112.91 113.33 2npf h THR 708 Ca 0.63 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2npf h THR 708 Cb 1.90 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.83 2npf h THR 708 CO -0.24 0.58 -0.09 -0.03 0.37 0.00 0.00 175.52 176.10 2npf h MET 709 N -0.11 -0.24 -0.53 6.66 -1.53 0.67 0.18 114.93 120.02 2npf h MET 709 Ca -0.06 0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.27 2npf h MET 709 Cb 1.22 0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 32.26 2npf h MET 709 CO 0.10 -0.16 -0.31 -2.13 0.14 0.00 0.00 176.91 174.55 2npf n ARG 710 N -2.79 -0.23 -0.23 0.39 0.63 0.06 0.51 116.66 115.01 2npf n ARG 710 Ca -0.03 1.03 0.02 0.00 -0.92 0.00 0.00 57.85 57.95 2npf n ARG 710 Cb 0.10 -1.53 0.14 0.00 0.45 0.00 0.00 32.46 31.62 2npf n ARG 710 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2npf h ARG 711 N 0.00 0.44 -0.42 -0.14 2.43 -1.46 -2.07 114.38 113.16 2npf h ARG 711 Ca 0.09 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 2npf h ARG 711 Cb 0.22 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2npf h ARG 711 CO -0.50 0.29 -0.10 0.00 -1.51 0.00 0.00 179.97 178.15 2npf h ALA 712 N 1.46 1.04 0.80 2.80 0.00 0.32 -2.13 119.26 123.55 2npf h ALA 712 Ca 0.35 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2npf h ALA 712 Cb 0.45 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2npf h ALA 712 CO -0.33 0.58 -0.38 1.15 0.00 0.00 0.00 179.25 180.27 2npf h THR 713 N 0.67 0.19 -0.94 0.00 2.02 0.10 0.21 112.91 115.17 2npf h THR 713 Ca 0.12 -0.06 0.27 0.00 0.77 0.00 0.00 66.41 67.51 2npf h THR 713 Cb 0.56 0.20 -0.14 0.00 -1.74 0.00 0.00 68.15 67.03 2npf h THR 713 CO 0.03 0.01 0.40 1.88 0.37 0.00 0.00 175.52 178.21 2npf h TYR 714 N -1.11 0.63 -0.34 3.16 -1.99 -1.34 1.20 116.97 117.18 2npf h TYR 714 Ca -0.11 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 2npf h TYR 714 Cb 0.83 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 2npf h TYR 714 CO -0.01 -0.17 0.14 0.00 -0.00 0.00 0.00 178.16 178.12 2npf h ALA 715 N 1.80 0.44 0.25 3.88 0.00 -0.88 0.15 119.26 124.91 2npf h ALA 715 Ca 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 2npf h ALA 715 Cb 1.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2npf h ALA 715 CO -0.62 0.03 -0.12 0.78 0.00 0.00 0.00 179.25 179.32 2npf h GLY 716 N 0.40 -0.36 -0.08 0.00 0.00 0.39 -2.02 103.07 101.41 2npf h GLY 716 Ca 0.11 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.61 2npf h GLY 716 CO -0.01 -0.13 -0.50 -2.75 0.00 0.00 0.00 176.54 173.15 2npf h PHE 717 N -0.48 -1.48 -0.35 5.60 3.57 0.11 -1.58 116.94 122.34 2npf h PHE 717 Ca -0.03 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.61 2npf h PHE 717 Cb 0.36 0.66 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2npf h PHE 717 CO -0.02 -0.53 0.25 -0.07 -2.23 0.00 0.00 178.31 175.71 2npf h LEU 718 N -0.56 0.06 -0.15 0.59 4.07 -0.66 -0.85 115.31 117.82 2npf h LEU 718 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2npf h LEU 718 Cb 0.67 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2npf h LEU 718 CO -0.42 0.04 0.00 0.18 -1.08 0.00 0.00 178.44 177.16 2npf n LEU 719 N -4.45 0.23 -1.68 1.67 4.77 -0.63 -4.02 117.00 112.89 2npf n LEU 719 Ca 0.05 -0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 2npf n LEU 719 Cb 0.37 -0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.62 2npf n LEU 719 CO 0.35 0.04 0.88 0.00 -1.33 0.00 0.00 177.39 177.33 2npf n ALA 720 N -0.81 5.01 -3.32 -1.18 0.00 -0.32 0.04 120.51 119.93 2npf n ALA 720 Ca 0.23 -3.23 -0.14 0.00 0.00 0.00 0.00 53.44 50.30 2npf n ALA 720 Cb 0.14 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.62 2npf n ALA 720 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2npf n ASP 721 N -1.05 -6.65 -4.65 0.00 2.03 -1.26 -2.37 116.55 102.60 2npf n ASP 721 Ca 0.45 -0.56 -0.35 0.00 0.52 0.00 0.00 54.79 54.85 2npf n ASP 721 Cb 1.12 -4.54 0.09 0.00 -0.72 0.00 0.00 41.12 37.08 2npf n ASP 721 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2npf n PRO 722 N -2.82 0.52 -3.93 -0.67 -0.04 -1.26 -1.69 135.00 125.11 2npf n PRO 722 Ca -0.07 0.24 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2npf n PRO 722 Cb 0.58 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.66 2npf n PRO 722 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2npf s LYS 723 N -3.53 1.48 0.07 0.54 3.01 0.12 -4.62 119.74 116.81 2npf s LYS 723 Ca 0.75 -1.15 0.07 0.00 -1.01 0.00 0.00 55.97 54.63 2npf s LYS 723 Cb -0.34 0.48 -0.04 0.00 -1.01 0.00 0.00 37.83 36.93 2npf s LYS 723 CO 0.49 -0.62 -0.16 -1.50 0.51 0.00 0.00 175.35 174.07 2npf s ILE 724 N -3.98 2.94 -0.06 2.17 2.07 -1.26 -0.78 121.20 122.30 2npf s ILE 724 Ca 0.18 -1.28 0.03 0.00 -1.41 0.00 0.00 60.65 58.17 2npf s ILE 724 Cb -0.01 -2.30 -0.02 0.00 0.13 0.00 0.00 42.46 40.26 2npf s ILE 724 CO 0.05 0.23 -0.14 -1.10 -1.91 0.00 0.00 174.94 172.07 2npf s GLN 725 N -1.79 2.67 -0.03 3.50 -0.21 0.23 -1.35 119.66 122.67 2npf s GLN 725 Ca 0.17 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 54.89 2npf s GLN 725 Cb -0.11 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 31.45 2npf s GLN 725 CO 0.08 0.55 -0.10 -1.83 -2.12 0.00 0.00 175.29 171.88 2npf s GLU 726 N -0.53 2.57 0.44 2.91 -1.05 -0.27 -1.30 118.70 121.47 2npf s GLU 726 Ca 0.07 -0.67 -0.24 0.00 -0.15 0.00 0.00 54.97 53.98 2npf s GLU 726 Cb -0.12 -2.48 -0.08 0.00 -0.44 0.00 0.00 34.13 31.02 2npf s GLU 726 CO 0.01 0.63 1.17 -1.25 0.95 0.00 0.00 175.26 176.77 2npf s PRO 727 N -1.03 3.87 -0.04 -4.83 0.04 -1.26 -1.30 135.00 130.45 2npf s PRO 727 Ca 0.14 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.01 2npf s PRO 727 Cb -0.11 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.93 2npf s PRO 727 CO 0.03 -0.47 -0.04 0.08 0.04 0.00 0.00 177.00 176.64 2npf s VAL 728 N -1.48 0.47 0.47 -0.36 1.01 0.07 -1.56 120.40 119.01 2npf s VAL 728 Ca 0.61 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.35 2npf s VAL 728 Cb -0.30 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 2npf s VAL 728 CO 0.37 0.20 0.90 -0.36 0.00 0.00 0.00 175.10 176.21 2npf s PHE 729 N 0.82 3.46 -0.24 5.22 0.08 -0.52 -1.07 117.98 125.72 2npf s PHE 729 Ca -0.10 1.29 -0.04 0.00 0.12 0.00 0.00 56.93 58.20 2npf s PHE 729 Cb -0.13 -2.65 0.01 0.00 -0.57 0.00 0.00 43.02 39.67 2npf s PHE 729 CO -0.00 -0.26 -0.02 -1.17 -0.10 0.00 0.00 175.22 173.67 2npf s LEU 730 N -3.98 3.19 -0.09 -0.37 2.96 0.88 -1.65 118.68 119.62 2npf s LEU 730 Ca 0.56 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2npf s LEU 730 Cb -0.10 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 2npf s LEU 730 CO 0.31 -0.09 -0.17 0.54 -1.32 0.00 0.00 176.35 175.62 2npf s VAL 731 N 1.43 2.70 -0.20 1.68 0.11 0.19 -1.57 120.40 124.74 2npf s VAL 731 Ca 0.03 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 2npf s VAL 731 Cb -0.16 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.64 2npf s VAL 731 CO -0.02 0.55 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.44 2npf s GLU 732 N 0.02 2.88 -0.08 1.54 2.12 -0.73 -1.19 118.70 123.26 2npf s GLU 732 Ca -0.06 -0.92 0.05 0.00 0.36 0.00 0.00 54.97 54.40 2npf s GLU 732 Cb -0.15 -2.70 -0.00 0.00 0.26 0.00 0.00 34.13 31.54 2npf s GLU 732 CO 0.05 -0.29 -0.24 0.42 -0.54 0.00 0.00 175.26 174.66 2npf s ILE 733 N 1.28 2.00 -0.17 -3.70 1.01 0.57 -2.58 121.20 119.60 2npf s ILE 733 Ca 0.02 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 2npf s ILE 733 Cb -0.15 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2npf s ILE 733 CO -0.10 0.55 -0.05 -1.10 0.00 0.00 0.00 174.94 174.25 2npf s GLN 734 N 0.09 3.56 0.07 2.79 -0.21 -0.85 -0.09 119.66 125.01 2npf s GLN 734 Ca -0.11 -0.57 -0.23 0.00 0.02 0.00 0.00 55.36 54.48 2npf s GLN 734 Cb -0.16 -2.92 0.06 0.00 1.00 0.00 0.00 33.01 30.99 2npf s GLN 734 CO 0.06 0.10 0.55 0.00 -2.12 0.00 0.00 175.29 173.88 2npf s PRO 736 N -2.76 4.14 0.61 0.00 0.02 -1.26 -1.77 135.00 133.97 2npf s PRO 736 Ca -0.04 2.57 0.06 0.00 0.02 0.00 0.00 61.00 63.62 2npf s PRO 736 Cb -0.00 -3.08 0.35 0.00 0.02 0.00 0.00 34.50 31.78 2npf s PRO 736 CO -0.04 -0.72 1.16 1.05 -0.33 0.00 0.00 177.00 178.12 2npf h GLU 737 N 6.69 0.00 0.04 5.54 4.11 -1.93 0.13 114.58 129.16 2npf h GLU 737 Ca -0.43 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.83 2npf h GLU 737 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2npf h GLU 737 CO 0.94 0.00 -0.91 -0.56 0.07 0.00 0.00 179.01 178.55 2npf h GLN 738 N 0.00 0.08 0.00 1.06 3.07 -2.01 -3.35 115.11 113.96 2npf h GLN 738 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.60 2npf h GLN 738 Cb 1.62 0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.23 2npf h GLN 738 CO 0.00 1.07 0.00 0.00 0.09 0.00 0.00 178.83 179.99 2npf n ALA 739 N -3.01 1.84 0.27 0.06 0.00 0.38 -3.57 120.51 116.48 2npf n ALA 739 Ca -0.23 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.36 2npf n ALA 739 Cb 0.69 -1.38 0.54 0.00 0.00 0.00 0.00 19.45 19.30 2npf n ALA 739 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2npf h VAL 740 N 0.00 0.04 0.00 0.00 2.07 -1.50 0.20 116.25 117.06 2npf h VAL 740 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 2npf h VAL 740 Cb 0.43 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2npf h VAL 740 CO 0.00 0.00 -0.68 1.23 0.02 0.00 0.00 177.57 178.14 2npf h GLY 741 N 0.00 0.00 1.03 2.17 0.00 -1.84 -3.15 103.07 101.28 2npf h GLY 741 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 2npf h GLY 741 CO -0.00 0.00 0.13 -1.33 0.00 0.00 0.00 176.54 175.34 2npf h GLY 742 N 2.18 1.07 -0.35 4.60 0.00 -0.73 -1.77 103.07 108.08 2npf h GLY 742 Ca -0.01 -0.69 0.08 0.00 0.00 0.00 0.00 47.33 46.71 2npf h GLY 742 CO 0.09 0.64 -0.42 -2.22 0.00 0.00 0.00 176.54 174.63 2npf h ILE 743 N 0.90 0.11 -0.45 2.60 2.04 -1.61 -1.03 117.51 120.07 2npf h ILE 743 Ca 0.19 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.06 2npf h ILE 743 Cb 0.39 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2npf h ILE 743 CO 0.01 0.00 0.29 1.88 0.00 0.00 0.00 178.15 180.33 2npf h TYR 744 N -0.29 0.56 -0.68 1.37 0.05 -1.54 -1.90 116.97 114.55 2npf h TYR 744 Ca 0.15 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.00 2npf h TYR 744 Cb 0.57 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 38.07 2npf h TYR 744 CO -0.64 0.34 0.38 0.66 -1.05 0.00 0.00 178.16 177.85 2npf h SER 745 N 0.60 0.58 0.12 3.88 4.64 -0.37 -0.55 113.55 122.44 2npf h SER 745 Ca 0.17 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 2npf h SER 745 Cb -0.05 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2npf h SER 745 CO -0.05 0.38 -0.06 0.58 -0.87 0.00 0.00 176.83 176.82 2npf h VAL 746 N 0.71 1.05 -0.78 0.95 2.07 -1.10 -3.12 116.25 116.04 2npf h VAL 746 Ca 0.30 -0.73 0.14 0.00 0.82 0.00 0.00 66.70 67.23 2npf h VAL 746 Cb 0.16 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2npf h VAL 746 CO -0.17 0.17 0.52 -0.07 0.02 0.00 0.00 177.57 178.04 2npf h LEU 747 N -0.50 0.47 -1.08 2.57 3.38 -1.01 -1.05 115.31 118.10 2npf h LEU 747 Ca -0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2npf h LEU 747 Cb 0.40 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2npf h LEU 747 CO 0.03 0.24 0.14 0.78 0.09 0.00 0.00 178.44 179.72 2npf h ASN 748 N 0.50 0.74 0.18 -0.43 2.35 -1.04 -1.20 115.58 116.68 2npf h ASN 748 Ca 0.39 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2npf h ASN 748 Cb 0.78 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2npf h ASN 748 CO -0.14 0.72 0.00 0.29 -1.65 0.00 0.00 177.43 176.65 2npf n LYS 749 N -4.29 0.61 -1.19 0.81 5.02 -0.41 -3.68 118.16 115.02 2npf n LYS 749 Ca 0.04 0.02 0.04 0.00 -2.02 0.00 0.00 58.31 56.39 2npf n LYS 749 Cb 0.21 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.82 2npf n LYS 749 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2npf n LYS 750 N -1.11 0.74 -2.00 1.97 5.02 -0.63 -4.97 118.16 117.18 2npf n LYS 750 Ca 0.16 -2.60 -0.16 0.00 -2.02 0.00 0.00 58.31 53.69 2npf n LYS 750 Cb 0.13 -0.72 -0.03 0.00 -0.02 0.00 0.00 35.03 34.38 2npf n LYS 750 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2npf n ARG 751 N -0.19 -1.72 -1.40 1.97 1.74 -1.18 -4.45 116.66 111.42 2npf n ARG 751 Ca 0.12 0.84 -0.30 0.00 -0.77 0.00 0.00 57.85 57.73 2npf n ARG 751 Cb 0.96 -5.32 0.11 0.00 -1.02 0.00 0.00 32.46 27.18 2npf n ARG 751 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2npf s GLY 752 N -2.17 1.63 -0.09 -0.13 0.00 -0.55 -4.60 107.32 101.41 2npf s GLY 752 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.59 2npf s GLY 752 CO 0.00 0.34 0.08 1.62 0.00 0.00 0.00 173.10 175.13 2npf s GLN 753 N -5.05 -0.02 0.07 2.90 0.74 0.05 -4.79 119.66 113.56 2npf s GLN 753 Ca 0.62 0.23 -0.31 0.00 0.05 0.00 0.00 55.36 55.95 2npf s GLN 753 Cb -0.16 -0.95 -0.07 0.00 1.10 0.00 0.00 33.01 32.94 2npf s GLN 753 CO 0.55 -0.45 1.37 0.08 -0.55 0.00 0.00 175.29 176.30 2npf s VAL 754 N 2.17 3.52 -0.20 1.34 1.01 -1.26 -0.27 120.40 126.71 2npf s VAL 754 Ca 0.04 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.16 2npf s VAL 754 Cb -0.13 -3.67 -0.22 0.00 0.00 0.00 0.00 36.38 32.36 2npf s VAL 754 CO -0.05 0.05 0.06 0.52 0.00 0.00 0.00 175.10 175.68 2npf n VAL 755 N 4.18 1.49 -3.58 2.92 0.31 0.36 -4.92 118.33 119.10 2npf n VAL 755 Ca 0.12 -0.73 -0.10 0.00 -0.01 0.00 0.00 64.34 63.61 2npf n VAL 755 Cb 0.43 -0.98 -0.05 0.00 -0.91 0.00 0.00 33.84 32.33 2npf n VAL 755 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2npf s SER 756 N -6.07 -0.36 -0.23 4.52 1.04 -0.72 -4.98 113.70 106.91 2npf s SER 756 Ca -0.19 0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 2npf s SER 756 Cb 0.07 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.56 2npf s SER 756 CO 0.74 -0.34 0.04 -0.70 0.98 0.00 0.00 173.24 173.96 2npf s GLU 757 N -1.20 0.84 -0.11 4.02 2.12 -1.26 -1.09 118.70 122.02 2npf s GLU 757 Ca -0.01 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.64 2npf s GLU 757 Cb -0.00 -2.16 -0.01 0.00 0.26 0.00 0.00 34.13 32.21 2npf s GLU 757 CO 0.01 -0.73 -0.16 -1.21 -0.54 0.00 0.00 175.26 172.63 2npf s GLU 758 N 1.72 3.16 0.53 4.30 0.41 -1.02 -4.97 118.70 122.83 2npf s GLU 758 Ca 0.01 -0.73 -0.12 0.00 -0.41 0.00 0.00 54.97 53.72 2npf s GLU 758 Cb -0.17 -2.51 -0.06 0.00 -1.78 0.00 0.00 34.13 29.61 2npf s GLU 758 CO -0.12 0.27 0.94 -1.14 -0.49 0.00 0.00 175.26 174.72 2npf s GLN 759 N 0.18 3.74 -0.25 1.61 2.00 -1.26 -2.36 119.66 123.32 2npf s GLN 759 Ca -0.09 0.71 -0.04 0.00 -2.00 0.00 0.00 55.36 53.94 2npf s GLN 759 Cb -0.15 -2.19 0.01 0.00 0.80 0.00 0.00 33.01 31.48 2npf s GLN 759 CO 0.05 -0.34 -0.01 0.50 -0.50 0.00 0.00 175.29 175.00 2npf s ARG 760 N -4.53 3.10 0.34 1.67 6.06 -1.26 -4.98 118.95 119.35 2npf s ARG 760 Ca 0.55 -0.82 0.24 0.00 -2.50 0.00 0.00 55.73 53.20 2npf s ARG 760 Cb -0.10 -3.11 1.18 0.00 0.06 0.00 0.00 34.95 32.98 2npf s ARG 760 CO 0.41 -0.34 1.27 -0.35 -2.50 0.00 0.00 175.30 173.79 2npf n PRO 761 N 4.77 -0.03 -0.72 5.12 -0.04 -1.26 -0.13 135.00 142.71 2npf n PRO 761 Ca -0.16 1.04 0.08 0.00 -0.04 0.00 0.00 63.50 64.41 2npf n PRO 761 Cb 0.49 -2.00 0.36 0.00 -0.04 0.00 0.00 33.50 32.30 2npf n PRO 761 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2npf n GLY 762 N -1.37 3.12 4.26 0.55 0.00 -1.26 -4.99 105.19 105.50 2npf n GLY 762 Ca 0.32 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 2npf n GLY 762 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2npf n THR 763 N 0.56 -1.15 0.45 2.61 -1.04 0.82 -4.85 114.28 111.68 2npf n THR 763 Ca 0.26 -0.16 0.12 0.00 -2.04 0.00 0.00 64.05 62.23 2npf n THR 763 Cb 1.04 -1.50 0.17 0.00 -1.82 0.00 0.00 70.33 68.22 2npf n THR 763 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2npf h PRO 764 N -1.46 0.00 0.00 -2.82 0.14 -1.94 -3.47 132.00 122.45 2npf h PRO 764 Ca -0.61 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.53 2npf h PRO 764 Cb 1.39 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.53 2npf h PRO 764 CO 0.77 0.00 0.00 1.28 0.14 0.00 0.00 178.00 180.19 2npf n LEU 765 N -2.34 0.00 -4.30 1.56 4.77 -1.26 -4.86 117.00 110.57 2npf n LEU 765 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 2npf n LEU 765 Cb 0.47 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.70 2npf n LEU 765 CO 0.36 0.00 -0.51 0.49 -1.33 0.00 0.00 177.39 176.40 2npf n PHE 766 N 0.00 -1.66 -3.70 -1.77 3.72 -0.73 -4.59 117.46 108.73 2npf n PHE 766 Ca 0.00 0.20 -0.25 0.00 -0.05 0.00 0.00 57.45 57.34 2npf n PHE 766 Cb 0.00 -1.63 -0.17 0.00 -0.94 0.00 0.00 39.48 36.74 2npf n PHE 766 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2npf s THR 767 N -2.27 0.23 -0.08 4.37 -4.23 -0.99 -1.94 115.64 110.73 2npf s THR 767 Ca 0.54 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.79 2npf s THR 767 Cb -0.14 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 2npf s THR 767 CO 0.68 -0.09 0.20 -0.69 -0.54 0.00 0.00 174.62 174.18 2npf s VAL 768 N 2.00 5.40 -0.06 2.29 1.01 0.87 -2.45 120.40 129.46 2npf s VAL 768 Ca 0.02 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.32 2npf s VAL 768 Cb -0.15 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2npf s VAL 768 CO -0.07 0.57 -0.16 -0.54 0.00 0.00 0.00 175.10 174.90 2npf s LYS 769 N -1.15 1.99 0.20 2.72 1.02 -0.25 -0.31 119.74 123.95 2npf s LYS 769 Ca 0.18 -0.57 -0.17 0.00 0.02 0.00 0.00 55.97 55.43 2npf s LYS 769 Cb -0.13 -1.63 0.03 0.00 -0.52 0.00 0.00 37.83 35.58 2npf s LYS 769 CO 0.08 0.13 0.52 0.00 -0.92 0.00 0.00 175.35 175.15 2npf s ALA 770 N 0.40 -0.91 -0.07 5.17 0.00 -0.34 0.14 121.76 126.15 2npf s ALA 770 Ca -0.12 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 2npf s ALA 770 Cb -0.15 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 2npf s ALA 770 CO 0.04 -0.81 0.40 0.71 0.00 0.00 0.00 175.76 176.10 2npf s TYR 771 N -3.88 3.61 -0.17 0.00 2.02 0.63 -0.64 117.35 118.91 2npf s TYR 771 Ca 0.10 0.87 -0.02 0.00 -0.37 0.00 0.00 57.07 57.65 2npf s TYR 771 Cb -0.01 -2.36 0.05 0.00 -0.40 0.00 0.00 41.96 39.24 2npf s TYR 771 CO -0.02 0.43 0.00 -1.17 -1.57 0.00 0.00 175.55 173.22 2npf s LEU 772 N -0.28 1.33 0.21 -1.29 2.96 -0.66 -0.77 118.68 120.17 2npf s LEU 772 Ca 0.23 -0.71 -0.31 0.00 -0.22 0.00 0.00 54.13 53.12 2npf s LEU 772 Cb -0.15 -0.70 -0.15 0.00 0.50 0.00 0.00 46.19 45.68 2npf s LEU 772 CO 0.10 -0.25 1.04 -2.65 -1.32 0.00 0.00 176.35 173.27 2npf n PRO 773 N 4.99 1.06 -0.23 0.98 -0.02 -1.26 -1.44 135.00 139.08 2npf n PRO 773 Ca -0.10 0.38 -0.06 0.00 -2.02 0.00 0.00 63.50 61.70 2npf n PRO 773 Cb 0.47 -1.78 0.09 0.00 -0.02 0.00 0.00 33.50 32.26 2npf n PRO 773 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2npf h VAL 774 N 2.27 1.26 0.00 -1.45 2.07 -1.64 -0.84 116.25 117.92 2npf h VAL 774 Ca -0.41 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2npf h VAL 774 Cb 1.36 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2npf h VAL 774 CO 0.65 0.36 0.00 -0.46 0.02 0.00 0.00 177.57 178.14 2npf n ASN 775 N -4.24 0.00 -0.63 0.57 0.23 -1.26 -1.61 115.26 108.32 2npf n ASN 775 Ca 0.05 -0.74 0.06 0.00 -0.53 0.00 0.00 54.58 53.42 2npf n ASN 775 Cb 0.25 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.12 2npf n ASN 775 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2npf n GLU 776 N -0.92 2.84 -0.01 -3.83 -0.58 -0.33 -4.74 120.64 113.07 2npf n GLU 776 Ca 0.13 -2.25 0.08 0.00 -0.42 0.00 0.00 57.16 54.70 2npf n GLU 776 Cb 0.06 -1.42 -0.12 0.00 -0.57 0.00 0.00 31.44 29.39 2npf n GLU 776 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2npf n SER 777 N 0.03 0.98 -4.68 1.62 3.41 -0.64 -4.81 113.62 109.54 2npf n SER 777 Ca 0.13 -0.28 -0.45 0.00 -0.26 0.00 0.00 58.87 58.01 2npf n SER 777 Cb 0.55 1.54 -0.04 0.00 -0.26 0.00 0.00 64.21 66.00 2npf n SER 777 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2npf n PHE 778 N -1.88 2.36 -0.91 7.33 7.35 -1.26 -0.89 117.46 129.57 2npf n PHE 778 Ca -0.01 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2npf n PHE 778 Cb 0.39 -2.58 0.00 0.00 0.35 0.00 0.00 39.48 37.64 2npf n PHE 778 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2npf n GLY 779 N 3.60 0.78 0.34 7.13 0.00 -1.26 -4.93 105.19 110.85 2npf n GLY 779 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2npf n GLY 779 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2npf h PHE 780 N 0.00 -0.80 -0.76 1.61 3.57 -1.33 -1.88 116.94 117.35 2npf h PHE 780 Ca 0.00 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.70 2npf h PHE 780 Cb 0.01 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2npf h PHE 780 CO 0.01 -0.46 0.54 0.00 -2.23 0.00 0.00 178.31 176.16 2npf h THR 781 N -0.74 0.66 -0.01 4.41 1.03 -1.79 0.35 112.91 116.81 2npf h THR 781 Ca -0.05 -0.04 -0.02 0.00 -0.01 0.00 0.00 66.41 66.30 2npf h THR 781 Cb 0.61 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 2npf h THR 781 CO 0.04 0.02 -0.06 1.23 -0.01 0.00 0.00 175.52 176.74 2npf h GLY 782 N 0.10 0.07 2.00 2.99 0.00 -1.80 -2.90 103.07 103.53 2npf h GLY 782 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2npf h GLY 782 CO -0.04 0.08 -0.11 0.83 0.00 0.00 0.00 176.54 177.30 2npf h GLU 783 N -0.56 0.00 0.21 4.80 5.08 -0.38 -2.40 114.58 121.33 2npf h GLU 783 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2npf h GLU 783 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2npf h GLU 783 CO 0.01 0.11 -0.10 1.25 -1.00 0.00 0.00 179.01 179.29 2npf h LEU 784 N 0.00 -0.24 -1.43 1.33 5.85 -0.34 -2.22 115.31 118.27 2npf h LEU 784 Ca -0.00 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2npf h LEU 784 Cb 0.20 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2npf h LEU 784 CO 0.01 0.05 0.41 0.08 -0.34 0.00 0.00 178.44 178.65 2npf h ARG 785 N -0.53 0.74 -0.64 1.25 0.11 -1.28 -2.21 114.38 111.82 2npf h ARG 785 Ca -0.03 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.94 2npf h ARG 785 Cb 0.39 -0.17 -0.03 0.00 1.11 0.00 0.00 29.97 31.28 2npf h ARG 785 CO 0.05 0.49 0.13 0.37 0.10 0.00 0.00 179.97 181.11 2npf h GLN 786 N 0.76 1.03 -0.55 0.08 5.75 -1.31 0.34 115.11 121.20 2npf h GLN 786 Ca 0.24 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2npf h GLN 786 Cb 0.02 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.44 2npf h GLN 786 CO -0.06 0.94 0.00 0.00 -2.65 0.00 0.00 178.83 177.06 2npf n ALA 787 N -2.44 2.67 -1.98 3.38 0.00 -0.85 -3.73 120.51 117.57 2npf n ALA 787 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2npf n ALA 787 Cb 0.26 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2npf n ALA 787 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2npf n THR 788 N 0.11 0.00 -3.69 0.00 -2.24 -0.89 -3.99 114.28 103.57 2npf n THR 788 Ca 0.07 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.57 2npf n THR 788 Cb 0.33 0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2npf n THR 788 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2npf n GLY 789 N 0.00 -0.48 2.43 3.38 0.00 -0.14 0.44 105.19 110.82 2npf n GLY 789 Ca 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2npf n GLY 789 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2npf n GLY 790 N -1.33 0.05 0.08 -0.02 0.00 0.10 -3.82 105.19 100.25 2npf n GLY 790 Ca 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2npf n GLY 790 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2npf n GLN 791 N -2.84 0.64 -2.64 1.61 6.02 0.17 -4.89 117.38 115.45 2npf n GLN 791 Ca -0.23 0.30 -0.38 0.00 -0.01 0.00 0.00 57.00 56.68 2npf n GLN 791 Cb 0.68 -1.79 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 2npf n GLN 791 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2npf s ALA 792 N -2.60 3.21 -0.35 -1.58 0.00 -1.26 -4.52 121.76 114.66 2npf s ALA 792 Ca -0.05 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.58 2npf s ALA 792 Cb 0.08 -3.24 0.11 0.00 0.00 0.00 0.00 23.12 20.06 2npf s ALA 792 CO 0.82 -0.02 0.10 -0.06 0.00 0.00 0.00 175.76 176.61 2npf s PHE 793 N -1.53 2.72 0.64 0.00 0.08 -0.10 -4.88 117.98 114.92 2npf s PHE 793 Ca 0.51 -2.45 -0.02 0.00 0.12 0.00 0.00 56.93 55.09 2npf s PHE 793 Cb -0.23 -2.33 0.06 0.00 -0.57 0.00 0.00 43.02 39.96 2npf s PHE 793 CO 0.29 -0.89 0.91 -1.25 -0.10 0.00 0.00 175.22 174.17 2npf s PRO 794 N 1.04 2.23 -0.26 0.24 0.04 -1.26 -2.00 135.00 135.03 2npf s PRO 794 Ca 0.12 -0.65 -0.26 0.00 0.04 0.00 0.00 61.00 60.25 2npf s PRO 794 Cb -0.19 -2.34 0.11 0.00 0.04 0.00 0.00 34.50 32.12 2npf s PRO 794 CO -0.13 -1.06 0.95 1.14 0.04 0.00 0.00 177.00 177.94 2npf s GLN 795 N -5.02 0.60 0.05 4.56 -2.07 -1.07 -4.77 119.66 111.95 2npf s GLN 795 Ca 0.60 0.63 -0.05 0.00 -1.82 0.00 0.00 55.36 54.72 2npf s GLN 795 Cb -0.09 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 32.10 2npf s GLN 795 CO 0.42 -0.09 0.08 0.00 -1.32 0.00 0.00 175.29 174.38 2npf s MET 796 N 0.08 0.66 -0.02 9.60 0.23 -1.26 -1.76 119.30 126.82 2npf s MET 796 Ca 0.02 -0.95 -0.13 0.00 -1.03 0.00 0.00 55.69 53.60 2npf s MET 796 Cb -0.04 0.25 0.02 0.00 -1.53 0.00 0.00 34.83 33.53 2npf s MET 796 CO -0.03 -0.16 0.27 0.54 -2.03 0.00 0.00 175.02 173.61 2npf s VAL 797 N -3.33 0.06 0.27 5.16 0.11 -0.61 -4.96 120.40 117.10 2npf s VAL 797 Ca 0.01 -0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 58.29 2npf s VAL 797 Cb 0.03 -0.56 -0.11 0.00 -1.53 0.00 0.00 36.38 34.22 2npf s VAL 797 CO -0.08 -0.26 1.54 0.12 -3.33 0.00 0.00 175.10 173.09 2npf s PHE 798 N -1.18 2.86 0.00 1.54 5.36 -1.26 -0.08 117.98 125.22 2npf s PHE 798 Ca -0.12 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 2npf s PHE 798 Cb -0.05 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2npf s PHE 798 CO 0.03 -3.25 0.00 -3.47 -1.46 0.00 0.00 175.22 167.07 2npf n ASP 799 N 2.31 3.00 -3.63 6.13 -0.08 -0.23 -4.77 116.55 119.28 2npf n ASP 799 Ca 0.08 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.32 2npf n ASP 799 Cb 0.38 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.83 2npf n ASP 799 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2npf s HIS 800 N -1.81 -0.16 0.18 -0.67 -3.43 -1.02 -5.02 115.29 103.36 2npf s HIS 800 Ca 0.00 -0.01 -0.06 0.00 -0.80 0.00 0.00 55.06 54.19 2npf s HIS 800 Cb 0.00 0.57 -0.06 0.00 -1.43 0.00 0.00 32.58 31.66 2npf s HIS 800 CO 0.00 -0.53 0.44 -1.58 -2.00 0.00 0.00 174.74 171.08 2npf s TRP 801 N -2.90 3.46 -0.06 0.38 0.52 -1.26 -0.76 118.94 118.32 2npf s TRP 801 Ca 0.10 0.64 -0.03 0.00 0.02 0.00 0.00 56.10 56.84 2npf s TRP 801 Cb 0.00 -2.08 0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2npf s TRP 801 CO -0.03 0.36 0.12 0.45 0.02 0.00 0.00 176.95 177.87 2npf s SER 802 N -2.53 0.77 0.23 2.95 0.15 -0.42 -4.92 113.70 109.94 2npf s SER 802 Ca 0.43 0.23 -0.30 0.00 0.70 0.00 0.00 55.95 57.01 2npf s SER 802 Cb -0.12 0.11 -0.09 0.00 -1.71 0.00 0.00 66.02 64.21 2npf s SER 802 CO 0.24 -0.23 1.34 -0.89 1.20 0.00 0.00 173.24 174.91 2npf s THR 803 N 2.09 2.99 -0.24 6.45 2.01 -1.26 -1.11 115.64 126.58 2npf s THR 803 Ca 0.02 0.84 -0.17 0.00 0.31 0.00 0.00 61.69 62.69 2npf s THR 803 Cb -0.12 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2npf s THR 803 CO -0.05 0.14 0.47 -0.76 -0.69 0.00 0.00 174.62 173.73 2npf s LEU 804 N -0.40 4.09 0.44 4.42 1.43 -0.46 -4.94 118.68 123.26 2npf s LEU 804 Ca 0.56 0.52 0.12 0.00 -1.03 0.00 0.00 54.13 54.30 2npf s LEU 804 Cb -0.38 -2.60 0.98 0.00 0.03 0.00 0.00 46.19 44.21 2npf s LEU 804 CO 0.41 -0.20 2.01 1.23 0.23 0.00 0.00 176.35 180.03 2npf h GLY 805 N 8.33 0.16 -2.15 -3.19 0.00 -1.94 -3.40 103.07 100.88 2npf h GLY 805 Ca -0.32 -0.08 -0.53 0.00 0.00 0.00 0.00 47.33 46.40 2npf h GLY 805 CO 0.71 0.08 -0.91 1.44 0.00 0.00 0.00 176.54 177.85 2npf n SER 806 N -4.38 -3.00 -4.60 0.19 7.64 -1.26 -4.92 113.62 103.29 2npf n SER 806 Ca -0.01 0.27 -0.41 0.00 1.01 0.00 0.00 58.87 59.73 2npf n SER 806 Cb 0.19 -1.09 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 2npf n SER 806 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2npf s ASP 807 N -1.77 6.53 0.59 6.43 3.68 -1.26 -4.80 116.67 126.06 2npf s ASP 807 Ca 0.53 0.48 0.29 0.00 2.13 0.00 0.00 52.55 55.97 2npf s ASP 807 Cb -0.20 -2.34 1.80 0.00 -1.45 0.00 0.00 42.92 40.73 2npf s ASP 807 CO 0.71 -0.50 2.25 -0.65 0.13 0.00 0.00 175.17 177.11 2npf h PRO 808 N 8.16 0.00 -0.02 4.34 0.11 -1.87 -2.68 132.00 140.04 2npf h PRO 808 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2npf h PRO 808 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2npf h PRO 808 CO 0.81 0.00 -0.02 1.28 -0.21 0.00 0.00 178.00 179.86 2npf n LEU 809 N -3.88 2.01 -4.11 2.35 4.32 -1.26 -4.06 117.00 112.37 2npf n LEU 809 Ca -0.03 -0.67 -0.37 0.00 -0.02 0.00 0.00 56.01 54.92 2npf n LEU 809 Cb 0.08 -0.01 -0.10 0.00 -1.62 0.00 0.00 43.42 41.78 2npf n LEU 809 CO 0.28 0.34 0.02 -0.62 -1.22 0.00 0.00 177.39 176.18 2npf s ASP 810 N -2.04 5.29 0.43 -1.43 2.15 -1.01 -4.93 116.67 115.13 2npf s ASP 810 Ca 0.33 -2.72 0.00 0.00 0.43 0.00 0.00 52.55 50.60 2npf s ASP 810 Cb 0.20 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.96 2npf s ASP 810 CO 0.34 -0.41 0.70 -2.65 -0.17 0.00 0.00 175.17 172.98 2npf n PRO 811 N 3.68 0.02 0.07 4.34 -0.02 -1.26 -0.56 135.00 141.27 2npf n PRO 811 Ca 0.06 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 62.04 2npf n PRO 811 Cb 0.39 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 2npf n PRO 811 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2npf h THR 812 N 0.00 1.43 -4.18 3.45 1.35 -1.91 -3.16 112.91 109.89 2npf h THR 812 Ca 0.00 -3.08 -0.50 0.00 -0.55 0.00 0.00 66.41 62.28 2npf h THR 812 Cb 1.39 2.82 0.14 0.00 -1.73 0.00 0.00 68.15 70.78 2npf h THR 812 CO 0.00 0.87 0.27 -0.94 -0.25 0.00 0.00 175.52 175.47 2npf s SER 813 N -6.88 3.86 0.19 5.36 1.04 0.27 -4.73 113.70 112.81 2npf s SER 813 Ca -0.04 1.68 -0.12 0.00 0.48 0.00 0.00 55.95 57.96 2npf s SER 813 Cb 0.08 -2.36 0.22 0.00 0.10 0.00 0.00 66.02 64.06 2npf s SER 813 CO 0.85 -2.43 1.71 0.11 0.98 0.00 0.00 173.24 174.47 2npf h LYS 814 N -1.40 0.23 -0.08 4.02 1.79 -1.90 0.19 116.57 119.42 2npf h LYS 814 Ca -0.47 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2npf h LYS 814 Cb 1.26 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2npf h LYS 814 CO 0.52 0.15 0.03 0.00 -1.08 0.00 0.00 179.45 179.08 2npf h ALA 815 N 1.41 0.10 -0.88 3.86 0.00 -1.88 -2.26 119.26 119.61 2npf h ALA 815 Ca 0.27 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2npf h ALA 815 Cb 0.37 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2npf h ALA 815 CO -0.35 -0.31 0.57 0.78 0.00 0.00 0.00 179.25 179.94 2npf h GLY 816 N -0.03 1.27 0.91 0.00 0.00 -1.39 0.16 103.07 103.98 2npf h GLY 816 Ca 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.96 2npf h GLY 816 CO -0.00 0.31 0.06 0.83 0.00 0.00 0.00 176.54 177.74 2npf h GLU 817 N 1.02 0.13 0.08 4.80 5.08 -0.44 0.11 114.58 125.36 2npf h GLU 817 Ca 0.37 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2npf h GLU 817 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2npf h GLU 817 CO -0.13 0.09 -0.11 0.82 -1.00 0.00 0.00 179.01 178.68 2npf h ILE 818 N 0.13 0.75 -0.33 3.13 1.08 -0.69 -1.02 117.51 120.57 2npf h ILE 818 Ca 0.06 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 2npf h ILE 818 Cb 0.03 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 2npf h ILE 818 CO -0.06 0.00 0.20 0.58 -0.69 0.00 0.00 178.15 178.18 2npf h VAL 819 N -0.22 1.11 0.07 1.67 2.07 -0.84 -0.91 116.25 119.20 2npf h VAL 819 Ca 0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2npf h VAL 819 Cb 0.23 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2npf h VAL 819 CO -0.05 0.11 -0.17 0.25 0.02 0.00 0.00 177.57 177.73 2npf h LEU 820 N 0.43 -0.51 -0.93 2.57 5.85 -0.60 0.10 115.31 122.22 2npf h LEU 820 Ca 0.12 0.05 0.28 0.00 0.84 0.00 0.00 57.88 59.17 2npf h LEU 820 Cb 0.01 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.07 2npf h LEU 820 CO -0.02 -0.19 0.31 0.00 -0.34 0.00 0.00 178.44 178.20 2npf h ALA 821 N -1.27 1.50 0.22 1.25 0.00 -1.12 0.04 119.26 119.89 2npf h ALA 821 Ca -0.01 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2npf h ALA 821 Cb 0.26 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2npf h ALA 821 CO -0.08 -0.56 -0.11 0.00 0.00 0.00 0.00 179.25 178.51 2npf h ALA 822 N 1.85 -0.30 -0.18 0.00 0.00 -0.31 0.29 119.26 120.61 2npf h ALA 822 Ca 0.63 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.45 2npf h ALA 822 Cb 1.37 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 2npf h ALA 822 CO -0.70 -0.56 -0.15 0.00 0.00 0.00 0.00 179.25 177.85 2npf h ARG 823 N -0.51 -0.15 -0.16 0.00 3.08 0.22 -0.55 114.38 116.31 2npf h ARG 823 Ca -0.03 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2npf h ARG 823 Cb 0.38 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 2npf h ARG 823 CO 0.05 -0.10 -0.53 -0.22 -1.07 0.00 0.00 179.97 178.10 2npf h LYS 824 N -0.16 -0.54 -0.98 0.04 3.64 -0.93 0.13 116.57 117.78 2npf h LYS 824 Ca 0.11 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 59.77 2npf h LYS 824 Cb 0.32 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 32.14 2npf h LYS 824 CO -0.27 -0.36 0.55 -0.09 -2.27 0.00 0.00 179.45 177.00 2npf h ARG 825 N -0.56 0.50 0.00 1.90 2.43 -0.39 0.34 114.38 118.61 2npf h ARG 825 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2npf h ARG 825 Cb 0.67 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2npf h ARG 825 CO -0.45 0.33 0.00 0.72 -1.51 0.00 0.00 179.97 179.07 2npf n HIS 826 N -4.94 0.60 -2.70 2.20 8.25 0.25 -4.92 115.22 113.97 2npf n HIS 826 Ca 0.26 0.18 -0.05 0.00 -0.26 0.00 0.00 57.72 57.86 2npf n HIS 826 Cb 0.75 -0.80 0.02 0.00 1.12 0.00 0.00 29.99 31.08 2npf n HIS 826 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2npf n GLY 827 N 1.19 0.64 3.86 -1.41 0.00 0.11 -5.05 105.19 104.53 2npf n GLY 827 Ca 0.06 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 2npf n GLY 827 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2npf s MET 828 N -5.22 2.47 0.52 1.61 -1.94 -0.94 -5.05 119.30 110.75 2npf s MET 828 Ca 0.11 -1.61 -0.22 0.00 -1.71 0.00 0.00 55.69 52.27 2npf s MET 828 Cb -0.05 -2.31 -0.06 0.00 2.01 0.00 0.00 34.83 34.42 2npf s MET 828 CO 0.14 -0.22 1.27 0.21 -0.01 0.00 0.00 175.02 176.41 2npf s LYS 829 N -4.12 3.34 0.34 2.03 2.47 -1.26 -4.57 119.74 117.98 2npf s LYS 829 Ca 0.47 2.03 0.15 0.00 -1.56 0.00 0.00 55.97 57.06 2npf s LYS 829 Cb -0.02 -2.28 0.57 0.00 -1.46 0.00 0.00 37.83 34.64 2npf s LYS 829 CO 0.27 -0.96 1.70 0.93 0.16 0.00 0.00 175.35 177.45 2npf h GLU 830 N 1.61 0.00 -6.66 4.03 5.08 -1.95 -3.44 114.58 113.25 2npf h GLU 830 Ca -0.50 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.35 2npf h GLU 830 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2npf h GLU 830 CO 0.58 0.46 0.26 -2.00 -1.00 0.00 0.00 179.01 177.32 2npf s GLU 831 N -3.67 4.66 -0.34 2.33 2.56 -1.26 -4.85 118.70 118.13 2npf s GLU 831 Ca -0.01 1.29 -0.17 0.00 0.00 0.00 0.00 54.97 56.09 2npf s GLU 831 Cb 0.12 -3.18 -0.01 0.00 2.00 0.00 0.00 34.13 33.06 2npf s GLU 831 CO 0.72 0.50 0.43 0.08 -0.56 0.00 0.00 175.26 176.43 2npf s VAL 832 N -1.25 5.10 -0.31 3.70 1.01 -1.26 -5.01 120.40 122.38 2npf s VAL 832 Ca 0.40 0.23 -0.37 0.00 0.00 0.00 0.00 61.98 62.24 2npf s VAL 832 Cb -0.23 -3.88 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 2npf s VAL 832 CO 0.28 -0.13 2.02 -2.65 0.00 0.00 0.00 175.10 174.62 2npf n PRO 833 N 5.54 1.17 -0.88 2.72 -0.02 -1.26 -4.93 135.00 137.34 2npf n PRO 833 Ca -0.07 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.49 2npf n PRO 833 Cb 0.49 -2.33 0.20 0.00 -0.02 0.00 0.00 33.50 31.84 2npf n PRO 833 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2npf s GLY 834 N 5.77 1.58 0.33 -1.23 0.00 -1.26 -4.92 107.32 107.59 2npf s GLY 834 Ca 1.05 -0.11 0.07 0.00 0.00 0.00 0.00 44.72 45.72 2npf s GLY 834 CO 0.55 0.50 1.86 0.11 0.00 0.00 0.00 173.10 176.12 2npf h TRP 835 N -2.13 0.92 -0.97 1.90 5.08 -1.91 -2.97 115.95 115.87 2npf h TRP 835 Ca -0.55 0.03 0.20 0.00 1.08 0.00 0.00 58.89 59.65 2npf h TRP 835 Cb 1.32 -0.29 -0.11 0.00 -3.00 0.00 0.00 29.16 27.07 2npf h TRP 835 CO 0.33 0.35 0.56 1.96 -1.28 0.00 0.00 178.44 180.35 2npf h GLN 836 N 0.79 0.63 0.00 0.12 7.50 -1.91 0.38 115.11 122.62 2npf h GLN 836 Ca 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.57 2npf h GLN 836 Cb 0.64 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.03 2npf h GLN 836 CO -0.22 0.42 0.00 0.39 -1.50 0.00 0.00 178.83 177.91 2npf n GLU 837 N -4.85 0.22 -0.02 1.46 1.02 -1.12 -1.55 120.64 115.80 2npf n GLU 837 Ca 0.23 0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.46 2npf n GLU 837 Cb 0.61 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 2npf n GLU 837 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2npf n TYR 838 N -1.15 0.00 -2.58 -0.32 4.02 0.12 -5.03 117.16 112.22 2npf n TYR 838 Ca 0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.59 2npf n TYR 838 Cb 0.06 -0.22 -0.04 0.00 -0.02 0.00 0.00 39.34 39.11 2npf n TYR 838 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2npf s TYR 839 N -2.18 3.24 -0.24 -0.72 5.04 -0.27 -4.67 117.35 117.56 2npf s TYR 839 Ca -0.02 1.64 -0.01 0.00 -2.44 0.00 0.00 57.07 56.23 2npf s TYR 839 Cb 0.02 -3.08 0.07 0.00 0.35 0.00 0.00 41.96 39.32 2npf s TYR 839 CO 0.21 -0.58 0.03 -0.51 -1.34 0.00 0.00 175.55 173.36 2npf s ASP 840 N -1.70 3.46 0.67 4.32 1.11 -0.14 -4.90 116.67 119.49 2npf s ASP 840 Ca 0.60 -1.14 0.00 0.00 0.18 0.00 0.00 52.55 52.19 2npf s ASP 840 Cb -0.20 -0.83 0.00 0.00 1.07 0.00 0.00 42.92 42.96 2npf s ASP 840 CO 0.25 -0.32 0.00 0.29 1.18 0.00 0.00 175.17 176.57 2npf n LYS 841 N 4.89 -0.03 0.00 8.23 4.76 -1.26 -4.39 118.16 130.36 2npf n LYS 841 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2npf n LYS 841 Cb 0.45 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.64 2npf n LYS 841 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31