#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2u n LYS 6 N 0.00 1.29 -0.09 1.45 5.02 -1.26 -4.75 118.16 119.82 1s2u n LYS 6 Ca 0.00 0.46 0.04 0.00 -2.02 0.00 0.00 58.31 56.79 1s2u n LYS 6 Cb 0.00 -1.98 0.37 0.00 -0.02 0.00 0.00 35.03 33.40 1s2u n LYS 6 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1s2u h LYS 7 N 1.51 0.68 -0.12 1.97 1.57 -1.90 0.78 116.57 121.06 1s2u h LYS 7 Ca -0.44 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1s2u h LYS 7 Cb 1.34 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1s2u h LYS 7 CO 0.57 0.45 0.07 1.79 -0.57 0.00 0.00 179.45 181.75 1s2u h THR 8 N 0.70 1.08 -0.79 -0.16 1.35 -1.86 -0.32 112.91 112.91 1s2u h THR 8 Ca 0.21 -0.21 -0.03 0.00 -0.55 0.00 0.00 66.41 65.84 1s2u h THR 8 Cb -0.01 1.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.38 1s2u h THR 8 CO -0.05 0.07 0.39 0.74 -0.25 0.00 0.00 175.52 176.42 1s2u h THR 9 N 0.11 1.25 -0.39 6.82 2.02 -1.54 0.37 112.91 121.55 1s2u h THR 9 Ca 0.04 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.59 1s2u h THR 9 Cb 0.05 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1s2u h THR 9 CO -0.01 0.29 0.15 1.56 0.37 0.00 0.00 175.52 177.88 1s2u h GLN 10 N 1.11 0.30 -0.28 6.66 4.20 -0.36 0.83 115.11 127.58 1s2u h GLN 10 Ca 0.27 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 1s2u h GLN 10 Cb 0.10 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1s2u h GLN 10 CO -0.04 0.20 0.00 1.25 -0.67 0.00 0.00 178.83 179.58 1s2u h LEU 11 N 0.31 0.48 -0.71 1.46 5.85 -0.61 -2.47 115.31 119.62 1s2u h LEU 11 Ca 0.18 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1s2u h LEU 11 Cb 0.15 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1s2u h LEU 11 CO -0.18 0.66 0.41 0.50 -0.34 0.00 0.00 178.44 179.50 1s2u h LYS 12 N 0.28 0.72 -0.77 1.25 3.64 -0.54 -0.94 116.57 120.21 1s2u h LYS 12 Ca 0.08 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1s2u h LYS 12 Cb 0.42 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1s2u h LYS 12 CO 0.01 0.48 0.36 1.96 -2.27 0.00 0.00 179.45 179.99 1s2u h GLN 13 N 0.74 1.11 -0.16 1.90 4.20 -0.75 -1.48 115.11 120.67 1s2u h GLN 13 Ca 0.32 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1s2u h GLN 13 Cb 0.20 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1s2u h GLN 13 CO -0.19 0.86 0.07 0.52 -0.67 0.00 0.00 178.83 179.42 1s2u h MET 14 N 1.10 0.23 -0.30 1.46 2.86 -0.82 0.79 114.93 120.25 1s2u h MET 14 Ca 0.27 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1s2u h MET 14 Cb 0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1s2u h MET 14 CO -0.03 0.28 0.13 -0.07 1.06 0.00 0.00 176.91 178.27 1s2u h LEU 15 N 0.13 0.37 -1.82 1.22 3.38 -0.84 -2.85 115.31 114.90 1s2u h LEU 15 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s2u h LEU 15 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1s2u h LEU 15 CO -0.01 0.33 0.00 0.59 0.09 0.00 0.00 178.44 179.45 1s2u n ASN 16 N -4.42 2.80 -4.80 -0.43 3.02 -0.59 -4.63 115.26 106.21 1s2u n ASN 16 Ca 0.01 -1.91 -0.30 0.00 -0.03 0.00 0.00 54.58 52.36 1s2u n ASN 16 Cb 0.13 -0.05 0.10 0.00 -0.61 0.00 0.00 39.78 39.34 1s2u n ASN 16 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1s2u s SER 17 N -1.88 4.39 0.00 6.41 1.04 0.23 -4.95 113.70 118.94 1s2u s SER 17 Ca 0.32 1.30 0.30 0.00 0.48 0.00 0.00 55.95 58.35 1s2u s SER 17 Cb 0.21 -2.02 1.39 0.00 0.10 0.00 0.00 66.02 65.69 1s2u s SER 17 CO 0.31 -2.03 1.94 0.29 0.98 0.00 0.00 173.24 174.73 1s2u n LYS 18 N -3.47 1.09 -4.11 4.02 5.02 -1.26 -4.87 118.16 114.57 1s2u n LYS 18 Ca 0.07 -0.38 -0.27 0.00 -2.02 0.00 0.00 58.31 55.71 1s2u n LYS 18 Cb 0.56 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 1s2u n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s2u s ASP 19 N -2.17 5.32 -0.04 4.39 1.01 -1.26 -5.07 116.67 118.84 1s2u s ASP 19 Ca 0.38 -0.18 -0.30 0.00 0.71 0.00 0.00 52.55 53.16 1s2u s ASP 19 Cb 0.21 -1.33 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 1s2u s ASP 19 CO 0.40 0.09 1.32 -0.22 0.21 0.00 0.00 175.17 176.97 1s2u s LEU 20 N -2.92 4.29 0.20 1.23 2.96 -1.26 -4.83 118.68 118.34 1s2u s LEU 20 Ca 0.30 1.96 0.06 0.00 -0.22 0.00 0.00 54.13 56.22 1s2u s LEU 20 Cb -0.10 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1s2u s LEU 20 CO 0.22 -0.69 0.17 -1.61 -1.32 0.00 0.00 176.35 173.12 1s2u s GLU 21 N 2.56 2.94 0.00 1.98 0.41 -0.05 -4.97 118.70 121.56 1s2u s GLU 21 Ca 0.60 -0.93 0.04 0.00 -0.41 0.00 0.00 54.97 54.28 1s2u s GLU 21 Cb -0.28 -2.63 -0.01 0.00 -1.78 0.00 0.00 34.13 29.43 1s2u s GLU 21 CO 0.23 0.45 -0.13 -0.06 -0.49 0.00 0.00 175.26 175.27 1s2u s PHE 22 N -1.90 1.17 -0.01 1.61 0.08 -1.26 0.20 117.98 117.87 1s2u s PHE 22 Ca 0.32 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.15 1s2u s PHE 22 Cb -0.09 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1s2u s PHE 22 CO 0.24 -0.01 -0.11 0.96 -0.10 0.00 0.00 175.22 176.20 1s2u s ILE 23 N -0.43 0.89 -0.11 0.64 -4.36 -0.75 -4.06 121.20 113.02 1s2u s ILE 23 Ca 0.04 -0.48 -0.05 0.00 -0.26 0.00 0.00 60.65 59.90 1s2u s ILE 23 Cb -0.06 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 42.87 1s2u s ILE 23 CO -0.00 0.25 0.06 -0.32 0.24 0.00 0.00 174.94 175.17 1s2u s MET 24 N -0.26 3.31 0.46 0.37 -2.45 -0.74 -1.54 119.30 118.46 1s2u s MET 24 Ca 0.04 -0.30 -0.24 0.00 -1.25 0.00 0.00 55.69 53.95 1s2u s MET 24 Cb -0.04 -3.01 -0.07 0.00 1.25 0.00 0.00 34.83 32.96 1s2u s MET 24 CO -0.00 0.66 1.29 -2.00 1.05 0.00 0.00 175.02 176.02 1s2u s GLU 25 N -0.73 3.67 -0.03 4.11 -6.30 -0.22 -0.54 118.70 118.65 1s2u s GLU 25 Ca 0.12 2.10 -0.13 0.00 -2.50 0.00 0.00 54.97 54.56 1s2u s GLU 25 Cb -0.12 -2.53 0.02 0.00 0.00 0.00 0.00 34.13 31.51 1s2u s GLU 25 CO 0.03 -0.72 0.30 0.00 0.02 0.00 0.00 175.26 174.88 1s2u s ALA 26 N -1.34 -0.75 0.00 6.30 0.00 -0.95 -4.60 121.76 120.42 1s2u s ALA 26 Ca 0.63 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1s2u s ALA 26 Cb -0.37 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1s2u s ALA 26 CO 0.46 -0.23 0.43 -2.39 0.00 0.00 0.00 175.76 174.02 1s2u n HIS 27 N 1.62 0.00 -3.83 0.00 1.44 -1.26 -3.89 115.22 109.30 1s2u n HIS 27 Ca -0.20 -0.05 -0.07 0.00 -2.01 0.00 0.00 57.72 55.39 1s2u n HIS 27 Cb 0.56 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 1s2u n HIS 27 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1s2u s ASN 28 N -0.09 -0.13 0.23 4.39 2.20 -1.26 -4.64 114.94 115.64 1s2u s ASN 28 Ca 0.00 -0.81 -0.07 0.00 -0.94 0.00 0.00 52.86 51.04 1s2u s ASN 28 Cb 0.00 0.74 0.32 0.00 -2.00 0.00 0.00 41.25 40.31 1s2u s ASN 28 CO 0.00 -1.42 1.81 1.23 -2.94 0.00 0.00 177.10 175.78 1s2u h GLY 29 N 2.00 1.14 0.94 0.45 0.00 -1.82 0.86 103.07 106.64 1s2u h GLY 29 Ca -0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1s2u h GLY 29 CO 0.31 0.15 -0.01 -2.00 0.00 0.00 0.00 176.54 175.00 1s2u h LEU 30 N 0.75 -0.01 -0.58 3.11 5.85 -1.95 -1.41 115.31 121.06 1s2u h LEU 30 Ca 0.35 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.08 1s2u h LEU 30 Cb 0.27 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1s2u h LEU 30 CO -0.21 0.05 0.28 -1.28 -0.34 0.00 0.00 178.44 176.93 1s2u h SER 31 N -0.07 0.38 -0.78 1.25 0.87 -1.82 -1.92 113.55 111.45 1s2u h SER 31 Ca -0.00 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1s2u h SER 31 Cb 0.07 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1s2u h SER 31 CO 0.00 0.25 0.52 0.00 -0.53 0.00 0.00 176.83 177.07 1s2u h ALA 32 N 1.34 0.99 -0.52 6.23 0.00 -0.56 -1.79 119.26 124.95 1s2u h ALA 32 Ca 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1s2u h ALA 32 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1s2u h ALA 32 CO -0.21 0.40 0.17 -0.09 0.00 0.00 0.00 179.25 179.53 1s2u h ARG 33 N 1.06 0.80 -0.56 0.00 9.65 -0.64 -1.61 114.38 123.07 1s2u h ARG 33 Ca 0.29 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 1s2u h ARG 33 Cb -0.12 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.32 1s2u h ARG 33 CO -0.06 0.73 0.29 0.82 2.80 0.00 0.00 179.97 184.54 1s2u h ILE 34 N 0.70 1.20 -0.52 1.20 2.04 -1.04 0.14 117.51 121.23 1s2u h ILE 34 Ca 0.17 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1s2u h ILE 34 Cb 0.26 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1s2u h ILE 34 CO -0.01 0.22 0.33 0.58 0.00 0.00 0.00 178.15 179.27 1s2u h VAL 35 N 0.76 1.15 -0.18 1.67 2.07 -1.15 -1.40 116.25 119.16 1s2u h VAL 35 Ca 0.19 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1s2u h VAL 35 Cb 0.09 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1s2u h VAL 35 CO -0.03 0.15 0.10 -0.61 0.02 0.00 0.00 177.57 177.21 1s2u h GLN 36 N 0.71 0.25 -0.01 1.57 4.15 -0.88 -2.58 115.11 118.33 1s2u h GLN 36 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1s2u h GLN 36 Cb -0.04 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 1s2u h GLN 36 CO -0.04 0.24 0.01 0.93 -1.93 0.00 0.00 178.83 178.04 1s2u h GLU 37 N 0.20 0.00 0.00 1.69 5.08 -0.68 -1.03 114.58 119.85 1s2u h GLU 37 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1s2u h GLU 37 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1s2u h GLU 37 CO -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1s2u n ALA 38 N -2.46 1.87 0.00 3.43 0.00 -0.56 -4.90 120.51 117.89 1s2u n ALA 38 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1s2u n ALA 38 Cb 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1s2u n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s2u n GLY 39 N 0.44 0.60 3.75 0.00 0.00 -0.39 -5.07 105.19 104.51 1s2u n GLY 39 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1s2u n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s2u s PHE 40 N -2.00 2.81 -1.11 1.61 0.08 -1.16 -4.87 117.98 113.34 1s2u s PHE 40 Ca 0.00 0.84 0.27 0.00 0.12 0.00 0.00 56.93 58.16 1s2u s PHE 40 Cb 0.00 -4.01 1.21 0.00 -0.57 0.00 0.00 43.02 39.64 1s2u s PHE 40 CO 0.00 -3.38 1.88 1.63 -0.10 0.00 0.00 175.22 175.25 1s2u n LYS 41 N 2.19 0.10 -3.48 0.44 5.02 -1.26 -4.70 118.16 116.48 1s2u n LYS 41 Ca 0.08 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1s2u n LYS 41 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1s2u n LYS 41 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1s2u s GLY 42 N -2.89 -0.55 -0.03 0.72 0.00 -1.26 -4.10 107.32 99.21 1s2u s GLY 42 Ca 0.16 0.54 0.07 0.00 0.00 0.00 0.00 44.72 45.50 1s2u s GLY 42 CO 0.47 0.22 -0.25 -0.42 0.00 0.00 0.00 173.10 173.12 1s2u s ILE 43 N -3.29 1.99 -0.43 0.90 1.01 0.18 -1.78 121.20 119.77 1s2u s ILE 43 Ca -0.01 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.44 1s2u s ILE 43 Cb -0.00 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.86 1s2u s ILE 43 CO -0.09 0.56 0.32 0.86 0.00 0.00 0.00 174.94 176.59 1s2u s TRP 44 N -0.50 3.26 -1.28 3.97 -0.11 0.30 -0.92 118.94 123.66 1s2u s TRP 44 Ca 0.07 -0.94 -0.19 0.00 1.22 0.00 0.00 56.10 56.26 1s2u s TRP 44 Cb -0.10 -2.87 0.03 0.00 -1.50 0.00 0.00 33.47 29.02 1s2u s TRP 44 CO -0.00 -0.73 1.84 0.41 -4.62 0.00 0.00 176.95 173.85 1s2u n GLY 45 N 5.11 2.49 3.68 5.86 0.00 0.46 -2.23 105.19 120.56 1s2u n GLY 45 Ca -0.12 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.13 1s2u n GLY 45 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s2u n SER 46 N 9.29 3.32 -0.04 1.61 2.88 -1.25 -1.03 113.62 128.40 1s2u n SER 46 Ca 0.49 1.07 -0.07 0.00 -1.33 0.00 0.00 58.87 59.03 1s2u n SER 46 Cb 0.45 -1.45 0.12 0.00 -0.75 0.00 0.00 64.21 62.57 1s2u n SER 46 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1s2u h GLY 47 N 6.40 0.70 0.82 0.46 0.00 -1.92 -0.35 103.07 109.18 1s2u h GLY 47 Ca -0.45 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.25 1s2u h GLY 47 CO 0.91 0.57 -0.01 -2.00 0.00 0.00 0.00 176.54 176.01 1s2u h LEU 48 N 0.56 -0.02 -0.43 3.11 5.85 -1.93 -2.47 115.31 119.97 1s2u h LEU 48 Ca 0.07 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1s2u h LEU 48 Cb 0.78 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1s2u h LEU 48 CO 0.06 0.16 0.08 0.28 -0.34 0.00 0.00 178.44 178.69 1s2u h SER 49 N -0.21 0.68 -0.27 1.25 0.02 -1.86 -0.98 113.55 112.17 1s2u h SER 49 Ca -0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1s2u h SER 49 Cb 0.20 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1s2u h SER 49 CO 0.00 0.76 0.17 0.58 -1.14 0.00 0.00 176.83 177.20 1s2u h VAL 50 N 0.57 1.09 -0.43 2.27 2.07 -1.09 -0.36 116.25 120.37 1s2u h VAL 50 Ca 0.13 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1s2u h VAL 50 Cb 0.36 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1s2u h VAL 50 CO 0.01 0.09 0.06 0.77 0.02 0.00 0.00 177.57 178.51 1s2u h SER 51 N 0.35 0.70 -0.81 0.57 4.64 -1.40 -2.95 113.55 114.65 1s2u h SER 51 Ca 0.10 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 1s2u h SER 51 Cb -0.01 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 1s2u h SER 51 CO -0.02 0.79 0.34 0.00 -0.87 0.00 0.00 176.83 177.07 1s2u h ALA 52 N 0.93 1.06 0.00 5.18 0.00 -0.96 -1.49 119.26 123.99 1s2u h ALA 52 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1s2u h ALA 52 Cb 0.40 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s2u h ALA 52 CO 0.01 0.67 -0.13 -0.56 0.00 0.00 0.00 179.25 179.24 1s2u h GLN 53 N 1.17 0.00 0.00 0.00 -0.00 -0.99 0.92 115.11 116.21 1s2u h GLN 53 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1s2u h GLN 53 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.68 1s2u h GLN 53 CO -0.02 0.13 0.00 1.28 -0.00 0.00 0.00 178.83 180.22 1s2u n LEU 54 N -4.36 0.00 0.00 0.06 4.77 -0.71 -4.90 117.00 111.86 1s2u n LEU 54 Ca -0.03 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1s2u n LEU 54 Cb 0.20 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1s2u n LEU 54 CO 0.36 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1s2u n GLY 55 N 1.24 0.65 3.77 -0.72 0.00 0.32 -5.04 105.19 105.40 1s2u n GLY 55 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1s2u n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s2u s VAL 56 N -2.32 2.07 0.65 1.61 -7.23 -0.64 -4.99 120.40 109.56 1s2u s VAL 56 Ca 0.00 -1.69 -0.10 0.00 -1.81 0.00 0.00 61.98 58.38 1s2u s VAL 56 Cb 0.00 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.18 1s2u s VAL 56 CO 0.00 0.00 1.02 -0.13 -0.31 0.00 0.00 175.10 175.68 1s2u s ARG 57 N -3.96 2.98 -0.44 4.82 3.00 -1.26 -3.38 118.95 120.70 1s2u s ARG 57 Ca 0.36 0.34 -0.04 0.00 0.00 0.00 0.00 55.73 56.40 1s2u s ARG 57 Cb 0.03 -2.12 0.08 0.00 0.00 0.00 0.00 34.95 32.94 1s2u s ARG 57 CO 0.20 -0.86 2.71 0.00 0.00 0.00 0.00 175.30 177.36 1s2u n ALA 58 N -2.83 6.34 -2.21 2.13 0.00 -1.26 -4.22 120.51 118.46 1s2u n ALA 58 Ca 0.06 -2.93 -0.21 0.00 0.00 0.00 0.00 53.44 50.36 1s2u n ALA 58 Cb 0.57 -2.08 0.02 0.00 0.00 0.00 0.00 19.45 17.96 1s2u n ALA 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s2u n SER 59 N 0.82 4.36 -3.94 0.00 7.64 -1.26 -4.95 113.62 116.29 1s2u n SER 59 Ca 0.47 -3.49 -0.27 0.00 1.01 0.00 0.00 58.87 56.59 1s2u n SER 59 Cb 0.56 -0.38 -0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1s2u n SER 59 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1s2u n ASN 60 N -0.65 -1.89 -0.01 6.43 5.03 -1.26 -4.88 115.26 118.04 1s2u n ASN 60 Ca 0.37 -0.93 -0.17 0.00 0.87 0.00 0.00 54.58 54.73 1s2u n ASN 60 Cb 0.90 -3.37 -0.14 0.00 -1.02 0.00 0.00 39.78 36.16 1s2u n ASN 60 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1s2u h GLU 61 N -1.83 0.15 -6.93 3.52 5.08 -1.93 -3.44 114.58 109.21 1s2u h GLU 61 Ca -0.61 -0.26 -0.52 0.00 -1.00 0.00 0.00 59.36 56.97 1s2u h GLU 61 Cb 1.37 0.10 0.07 0.00 0.50 0.00 0.00 28.75 30.79 1s2u h GLU 61 CO 0.65 1.12 0.57 0.00 -1.00 0.00 0.00 179.01 180.35 1s2u s ALA 62 N -2.33 3.26 0.88 3.43 0.00 -1.26 -4.99 121.76 120.75 1s2u s ALA 62 Ca -0.17 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 1s2u s ALA 62 Cb -0.01 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.79 1s2u s ALA 62 CO 0.76 -0.67 1.10 -1.54 0.00 0.00 0.00 175.76 175.41 1s2u s SER 63 N -0.85 3.65 0.38 0.00 1.04 -1.26 -4.84 113.70 111.83 1s2u s SER 63 Ca 0.55 1.32 0.16 0.00 0.48 0.00 0.00 55.95 58.47 1s2u s SER 63 Cb -0.35 -2.00 0.77 0.00 0.10 0.00 0.00 66.02 64.53 1s2u s SER 63 CO 0.45 -2.50 1.81 4.11 0.98 0.00 0.00 173.24 178.09 1s2u h TRP 64 N -1.46 0.00 -0.01 5.02 5.08 -1.94 -1.70 115.95 120.94 1s2u h TRP 64 Ca -0.50 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.31 1s2u h TRP 64 Cb 1.29 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.43 1s2u h TRP 64 CO 0.40 0.37 -0.75 1.79 -1.28 0.00 0.00 178.44 178.97 1s2u h THR 65 N 0.00 1.50 -0.32 0.12 1.35 -1.98 -0.00 112.91 113.58 1s2u h THR 65 Ca -0.00 -2.45 -0.14 0.00 -0.55 0.00 0.00 66.41 63.27 1s2u h THR 65 Cb 0.73 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 1s2u h THR 65 CO 0.05 0.71 -0.36 1.56 -0.25 0.00 0.00 175.52 177.22 1s2u h GLN 66 N 0.05 0.73 -0.25 4.72 4.20 -1.78 -0.46 115.11 122.32 1s2u h GLN 66 Ca -0.02 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 1s2u h GLN 66 Cb 1.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1s2u h GLN 66 CO 0.10 0.97 -0.02 0.28 -0.67 0.00 0.00 178.83 179.50 1s2u h VAL 67 N 0.60 1.27 -0.97 -0.54 2.07 -1.13 -2.57 116.25 114.98 1s2u h VAL 67 Ca 0.06 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.69 1s2u h VAL 67 Cb 0.89 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 1s2u h VAL 67 CO 0.08 0.30 0.63 0.58 0.02 0.00 0.00 177.57 179.18 1s2u h VAL 68 N 0.22 1.07 -0.27 2.57 2.07 -0.78 -0.64 116.25 120.49 1s2u h VAL 68 Ca 0.07 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1s2u h VAL 68 Cb 0.45 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1s2u h VAL 68 CO 0.02 0.20 -0.28 -0.08 0.02 0.00 0.00 177.57 177.45 1s2u h GLU 69 N 1.12 0.54 -0.54 1.57 4.81 -0.92 0.44 114.58 121.60 1s2u h GLU 69 Ca 0.42 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1s2u h GLU 69 Cb 0.21 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1s2u h GLU 69 CO -0.17 0.77 0.19 0.28 -0.73 0.00 0.00 179.01 179.34 1s2u h VAL 70 N 0.47 1.23 0.00 0.32 2.07 -0.87 -1.56 116.25 117.90 1s2u h VAL 70 Ca 0.06 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1s2u h VAL 70 Cb 0.73 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1s2u h VAL 70 CO 0.06 0.28 -0.38 -0.07 0.02 0.00 0.00 177.57 177.47 1s2u h LEU 71 N 0.74 0.00 -0.30 2.57 4.07 -0.59 -1.08 115.31 120.73 1s2u h LEU 71 Ca 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 1s2u h LEU 71 Cb 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1s2u h LEU 71 CO -0.01 0.38 0.09 -0.08 -1.08 0.00 0.00 178.44 177.74 1s2u h GLU 72 N 0.00 0.48 -0.67 1.13 4.81 0.54 0.42 114.58 121.28 1s2u h GLU 72 Ca -0.00 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1s2u h GLU 72 Cb 0.84 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1s2u h GLU 72 CO 0.05 0.54 0.27 0.74 -0.73 0.00 0.00 179.01 179.87 1s2u h PHE 73 N 0.33 1.00 -0.36 0.92 0.04 -0.89 0.41 116.94 118.39 1s2u h PHE 73 Ca 0.10 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 1s2u h PHE 73 Cb 0.26 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1s2u h PHE 73 CO 0.01 0.77 0.03 0.52 -0.60 0.00 0.00 178.31 179.03 1s2u h MET 74 N 0.97 0.62 -0.67 1.51 2.86 -0.63 -1.99 114.93 117.60 1s2u h MET 74 Ca 0.23 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1s2u h MET 74 Cb 0.19 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1s2u h MET 74 CO -0.02 0.71 0.19 1.03 1.06 0.00 0.00 176.91 179.88 1s2u h SER 75 N 0.44 0.99 0.14 1.22 0.87 0.13 -2.00 113.55 115.34 1s2u h SER 75 Ca 0.11 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1s2u h SER 75 Cb 0.41 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1s2u h SER 75 CO 0.01 0.95 -0.12 0.44 -0.53 0.00 0.00 176.83 177.59 1s2u h ASP 76 N 0.99 0.00 -0.55 6.23 3.32 -0.74 -2.59 116.42 123.07 1s2u h ASP 76 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1s2u h ASP 76 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1s2u h ASP 76 CO -0.00 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1s2u n ALA 77 N -2.48 2.76 -2.93 3.45 0.00 -0.76 -4.94 120.51 115.61 1s2u n ALA 77 Ca -0.03 -1.17 -0.11 0.00 0.00 0.00 0.00 53.44 52.14 1s2u n ALA 77 Cb 0.19 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.56 1s2u n ALA 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1s2u s SER 78 N -0.88 0.02 -0.02 0.00 1.04 -0.98 -3.83 113.70 109.04 1s2u s SER 78 Ca 0.40 -0.31 0.17 0.00 0.48 0.00 0.00 55.95 56.70 1s2u s SER 78 Cb 0.24 0.27 -0.26 0.00 0.10 0.00 0.00 66.02 66.37 1s2u s SER 78 CO 0.22 -0.51 0.40 0.47 0.98 0.00 0.00 173.24 174.80 1s2u n ASP 79 N 0.89 1.04 -4.87 7.02 8.00 -1.26 -4.87 116.55 122.49 1s2u n ASP 79 Ca -0.20 -0.05 -0.30 0.00 0.71 0.00 0.00 54.79 54.95 1s2u n ASP 79 Cb 0.58 1.74 -0.03 0.00 -0.02 0.00 0.00 41.12 43.39 1s2u n ASP 79 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1s2u s VAL 80 N -3.16 4.78 0.52 2.53 -7.23 -1.26 -4.77 120.40 111.81 1s2u s VAL 80 Ca -0.06 0.64 -0.21 0.00 -1.81 0.00 0.00 61.98 60.54 1s2u s VAL 80 Cb 0.11 -3.74 -0.06 0.00 0.56 0.00 0.00 36.38 33.26 1s2u s VAL 80 CO 0.72 -0.55 1.22 -2.16 -0.31 0.00 0.00 175.10 174.02 1s2u s PRO 81 N -3.90 3.36 -0.12 4.82 0.04 -1.26 -4.78 135.00 133.16 1s2u s PRO 81 Ca 0.51 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.44 1s2u s PRO 81 Cb -0.10 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 1s2u s PRO 81 CO 0.32 -0.91 -0.15 0.42 0.04 0.00 0.00 177.00 176.72 1s2u s ILE 82 N -1.53 2.87 -0.30 0.56 1.01 -1.26 -0.65 121.20 121.90 1s2u s ILE 82 Ca 0.70 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.52 1s2u s ILE 82 Cb -0.31 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1s2u s ILE 82 CO 0.36 0.54 0.14 -0.22 0.00 0.00 0.00 174.94 175.76 1s2u s LEU 83 N 0.23 4.02 0.02 2.97 2.96 -0.10 -1.54 118.68 127.25 1s2u s LEU 83 Ca -0.10 -0.47 -0.26 0.00 -0.22 0.00 0.00 54.13 53.08 1s2u s LEU 83 Cb -0.16 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 1s2u s LEU 83 CO 0.06 -0.17 0.79 -0.22 -1.32 0.00 0.00 176.35 175.48 1s2u s LEU 84 N 1.62 4.41 -0.90 -0.68 2.96 -0.30 -0.40 118.68 125.39 1s2u s LEU 84 Ca 0.05 1.43 -0.25 0.00 -0.22 0.00 0.00 54.13 55.15 1s2u s LEU 84 Cb -0.17 -3.26 0.04 0.00 0.50 0.00 0.00 46.19 43.30 1s2u s LEU 84 CO 0.06 -0.05 1.39 -0.62 -1.32 0.00 0.00 176.35 175.81 1s2u s ASP 85 N 0.27 6.33 -0.30 3.68 2.15 -0.19 0.27 116.67 128.88 1s2u s ASP 85 Ca 0.40 -1.02 0.07 0.00 0.43 0.00 0.00 52.55 52.43 1s2u s ASP 85 Cb -0.20 -2.57 0.60 0.00 -0.30 0.00 0.00 42.92 40.45 1s2u s ASP 85 CO 0.23 -1.67 1.65 0.00 -0.17 0.00 0.00 175.17 175.21 1s2u n ALA 86 N 9.19 4.46 -0.50 3.66 0.00 -0.24 -4.24 120.51 132.83 1s2u n ALA 86 Ca 0.21 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1s2u n ALA 86 Cb 0.50 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1s2u n ALA 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s2u n ASP 87 N -0.29 0.00 -1.27 0.00 9.92 -1.24 -0.55 116.55 123.12 1s2u n ASP 87 Ca 0.38 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.73 1s2u n ASP 87 Cb 1.28 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 42.06 1s2u n ASP 87 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1s2u n THR 88 N 0.00 1.64 -0.26 -3.53 -2.24 -1.26 0.62 114.28 109.25 1s2u n THR 88 Ca 0.00 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1s2u n THR 88 Cb 0.00 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1s2u n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s2u n GLY 89 N 0.82 0.79 2.66 3.38 0.00 0.29 -4.40 105.19 108.73 1s2u n GLY 89 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1s2u n GLY 89 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s2u n TYR 90 N -2.17 -1.41 -0.01 1.61 4.01 -1.26 -3.13 117.16 114.80 1s2u n TYR 90 Ca 0.00 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1s2u n TYR 90 Cb 0.00 -4.21 0.00 0.00 -0.31 0.00 0.00 39.34 34.82 1s2u n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s2u n GLY 91 N -1.24 0.16 0.00 2.72 0.00 -1.26 -4.88 105.19 100.69 1s2u n GLY 91 Ca -0.19 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1s2u n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s2u n ASN 92 N 0.00 0.00 -0.32 1.61 0.23 -1.26 -4.75 115.26 110.77 1s2u n ASN 92 Ca 0.00 -0.96 0.22 0.00 -0.53 0.00 0.00 54.58 53.31 1s2u n ASN 92 Cb 0.00 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.20 1s2u n ASN 92 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 1s2u h PHE 93 N -0.56 0.68 -0.22 -2.53 -0.00 -1.92 -0.40 116.94 111.99 1s2u h PHE 93 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 57.95 1s2u h PHE 93 Cb 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 35.95 35.74 1s2u h PHE 93 CO 0.00 0.07 -0.04 -0.97 -0.00 0.00 0.00 178.31 177.37 1s2u h ASN 94 N 0.42 0.41 -0.24 -0.68 -1.24 -1.96 0.44 115.58 112.73 1s2u h ASN 94 Ca 0.59 -0.35 -0.08 0.00 0.71 0.00 0.00 56.30 57.16 1s2u h ASN 94 Cb 1.45 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 40.37 1s2u h ASN 94 CO -0.30 0.67 -0.12 0.78 -1.29 0.00 0.00 177.43 177.17 1s2u h ASN 95 N 0.15 0.63 -0.33 1.15 4.21 -1.51 -1.74 115.58 118.15 1s2u h ASN 95 Ca 0.06 -0.18 -0.07 0.00 1.21 0.00 0.00 56.30 57.32 1s2u h ASN 95 Cb 0.48 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 1s2u h ASN 95 CO 0.02 0.78 -0.05 0.00 -1.29 0.00 0.00 177.43 176.89 1s2u h ALA 96 N 1.28 0.44 -0.12 -0.83 0.00 -0.90 -0.33 119.26 118.80 1s2u h ALA 96 Ca 0.10 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1s2u h ALA 96 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1s2u h ALA 96 CO 0.03 0.25 -0.52 0.07 0.00 0.00 0.00 179.25 179.09 1s2u h ARG 97 N 0.39 0.33 -0.33 0.00 0.11 -0.81 0.12 114.38 114.20 1s2u h ARG 97 Ca 0.09 -0.20 -0.03 0.00 0.10 0.00 0.00 59.98 59.93 1s2u h ARG 97 Cb 0.53 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 1s2u h ARG 97 CO 0.03 0.77 0.08 -0.09 0.10 0.00 0.00 179.97 180.86 1s2u h ARG 98 N 0.26 0.52 -0.55 0.08 2.43 -1.21 -1.20 114.38 114.72 1s2u h ARG 98 Ca 0.01 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1s2u h ARG 98 Cb 1.00 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1s2u h ARG 98 CO 0.09 0.59 0.32 1.25 -1.51 0.00 0.00 179.97 180.70 1s2u h LEU 99 N 0.37 0.49 -0.62 3.80 5.85 -0.74 -1.81 115.31 122.64 1s2u h LEU 99 Ca 0.10 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1s2u h LEU 99 Cb 0.30 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1s2u h LEU 99 CO 0.00 0.34 0.30 0.58 -0.34 0.00 0.00 178.44 179.32 1s2u h VAL 100 N 0.62 0.88 -0.61 1.05 2.07 -0.59 0.11 116.25 119.78 1s2u h VAL 100 Ca 0.23 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 1s2u h VAL 100 Cb 0.07 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1s2u h VAL 100 CO -0.12 0.10 0.12 0.03 0.02 0.00 0.00 177.57 177.71 1s2u h ARG 101 N 0.54 0.98 -0.31 1.57 2.47 -0.61 -0.23 114.38 118.79 1s2u h ARG 101 Ca 0.30 -0.23 -0.14 0.00 -1.26 0.00 0.00 59.98 58.65 1s2u h ARG 101 Cb 0.27 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1s2u h ARG 101 CO -0.23 0.89 -0.34 0.87 0.56 0.00 0.00 179.97 181.72 1s2u h LYS 102 N 0.93 0.77 -0.48 0.04 1.79 -0.52 -0.91 116.57 118.18 1s2u h LYS 102 Ca 0.19 -0.42 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 1s2u h LYS 102 Cb 0.38 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1s2u h LYS 102 CO 0.01 1.05 0.28 -0.07 -1.08 0.00 0.00 179.45 179.63 1s2u h LEU 103 N 0.53 0.59 -0.49 2.94 3.38 -0.65 -1.25 115.31 120.36 1s2u h LEU 103 Ca 0.04 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1s2u h LEU 103 Cb 0.92 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1s2u h LEU 103 CO 0.08 0.50 0.23 -0.08 0.09 0.00 0.00 178.44 179.26 1s2u h GLU 104 N 0.64 0.44 0.00 1.13 4.81 -0.93 -0.73 114.58 119.95 1s2u h GLU 104 Ca 0.17 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1s2u h GLU 104 Cb 0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1s2u h GLU 104 CO -0.03 0.29 -0.30 -0.44 -0.73 0.00 0.00 179.01 177.80 1s2u h ASP 105 N 0.45 0.00 0.44 1.04 3.32 -0.69 -2.81 116.42 118.18 1s2u h ASP 105 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1s2u h ASP 105 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1s2u h ASP 105 CO -0.18 0.30 -0.20 0.54 -1.72 0.00 0.00 179.24 177.98 1s2u n ARG 106 N -3.82 0.50 -0.08 3.56 5.12 -0.51 -4.93 116.66 116.50 1s2u n ARG 106 Ca -0.01 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1s2u n ARG 106 Cb 0.38 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1s2u n ARG 106 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s2u n GLY 107 N 1.36 0.59 3.77 -0.13 0.00 -0.84 -4.70 105.19 105.24 1s2u n GLY 107 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1s2u n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s2u s VAL 108 N -2.13 2.78 0.08 1.61 1.01 -0.35 -4.77 120.40 118.62 1s2u s VAL 108 Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.78 1s2u s VAL 108 Cb 0.00 -3.45 -0.22 0.00 0.00 0.00 0.00 36.38 32.71 1s2u s VAL 108 CO 0.00 0.14 1.13 0.00 0.00 0.00 0.00 175.10 176.36 1s2u h ALA 109 N 3.05 0.40 -2.41 5.51 0.00 -1.58 -3.39 119.26 120.85 1s2u h ALA 109 Ca -0.49 -1.03 0.17 0.00 0.00 0.00 0.00 54.91 53.56 1s2u h ALA 109 Cb 1.23 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1s2u h ALA 109 CO 0.64 1.28 0.54 0.20 0.00 0.00 0.00 179.25 181.91 1s2u s GLY 110 N -4.80 -0.06 0.01 0.00 0.00 -1.05 -1.55 107.32 99.88 1s2u s GLY 110 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.63 1s2u s GLY 110 CO 0.83 1.11 -0.05 0.00 0.00 0.00 0.00 173.10 174.98 1s2u s ALA 111 N -2.69 0.43 -0.21 3.20 0.00 -0.17 -1.14 121.76 121.18 1s2u s ALA 111 Ca 0.17 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1s2u s ALA 111 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1s2u s ALA 111 CO 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 175.76 175.83 1s2u s LEU 113 N 1.28 2.35 0.08 0.00 1.02 0.01 -1.08 118.68 122.35 1s2u s LEU 113 Ca 0.04 -0.37 0.05 0.00 0.02 0.00 0.00 54.13 53.86 1s2u s LEU 113 Cb -0.14 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 1s2u s LEU 113 CO -0.01 0.29 -0.03 -1.83 0.02 0.00 0.00 176.35 174.80 1s2u s GLU 114 N -0.44 2.44 -0.26 1.70 -1.05 0.20 -0.14 118.70 121.15 1s2u s GLU 114 Ca 0.05 -0.87 -0.01 0.00 -0.15 0.00 0.00 54.97 53.98 1s2u s GLU 114 Cb -0.12 -2.48 0.15 0.00 -0.44 0.00 0.00 34.13 31.24 1s2u s GLU 114 CO 0.01 0.54 2.14 -0.40 0.95 0.00 0.00 175.26 178.50 1s2u n ASP 115 N 0.70 6.24 -4.90 0.83 5.75 -0.95 -4.37 116.55 119.85 1s2u n ASP 115 Ca -0.12 -2.95 -0.28 0.00 -0.01 0.00 0.00 54.79 51.43 1s2u n ASP 115 Cb 0.52 -1.10 -0.02 0.00 -1.03 0.00 0.00 41.12 39.49 1s2u n ASP 115 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1s2u s LYS 116 N -1.40 3.63 0.01 0.11 1.02 -1.26 -1.12 119.74 120.73 1s2u s LYS 116 Ca 0.29 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 56.15 1s2u s LYS 116 Cb 0.22 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1s2u s LYS 116 CO -0.02 -0.01 1.16 -0.51 -0.92 0.00 0.00 175.35 175.05 1s2u s LEU 117 N -4.12 4.34 -0.02 3.17 1.43 -1.26 -4.16 118.68 118.06 1s2u s LEU 117 Ca 0.47 1.88 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 1s2u s LEU 117 Cb -0.10 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1s2u s LEU 117 CO 0.36 -0.47 -0.05 0.12 0.23 0.00 0.00 176.35 176.54 1s2u s PHE 118 N 1.42 0.66 0.79 0.29 5.36 -1.26 -4.34 117.98 120.90 1s2u s PHE 118 Ca 0.56 -0.15 -0.06 0.00 -0.96 0.00 0.00 56.93 56.32 1s2u s PHE 118 Cb -0.26 -0.52 0.14 0.00 -0.34 0.00 0.00 43.02 42.04 1s2u s PHE 118 CO 0.27 -0.10 1.09 -1.25 -1.46 0.00 0.00 175.22 173.77 1s2u s PRO 119 N 0.40 1.41 -0.06 10.12 0.04 -1.26 -4.95 135.00 140.70 1s2u s PRO 119 Ca -0.05 -0.84 -0.30 0.00 0.04 0.00 0.00 61.00 59.85 1s2u s PRO 119 Cb -0.09 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1s2u s PRO 119 CO -0.00 -1.71 1.85 0.21 0.04 0.00 0.00 177.00 177.38 1s2u s LYS 120 N -5.37 3.98 -0.03 4.56 2.20 -1.26 -4.87 119.74 118.96 1s2u s LYS 120 Ca 0.68 2.27 0.22 0.00 -0.36 0.00 0.00 55.97 58.78 1s2u s LYS 120 Cb -0.05 -4.11 -0.33 0.00 -1.51 0.00 0.00 37.83 31.83 1s2u s LYS 120 CO 0.47 -1.11 0.52 2.41 -0.36 0.00 0.00 175.35 177.28 1s2u n THR 121 N 5.91 0.00 -4.17 3.43 -1.04 -1.26 -5.02 114.28 112.13 1s2u n THR 121 Ca 0.20 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.05 61.63 1s2u n THR 121 Cb 0.43 0.11 -0.08 0.00 -1.82 0.00 0.00 70.33 68.97 1s2u n THR 121 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1s2u s ASN 122 N -4.33 0.56 -0.44 8.00 2.20 -1.26 -5.13 114.94 114.54 1s2u s ASN 122 Ca -0.06 -1.42 0.03 0.00 -0.94 0.00 0.00 52.86 50.47 1s2u s ASN 122 Cb 0.14 0.49 0.16 0.00 -2.00 0.00 0.00 41.25 40.04 1s2u s ASN 122 CO 0.90 -1.00 0.31 -0.55 -2.94 0.00 0.00 177.10 173.82 1s2u s SER 123 N -3.20 2.57 -0.19 3.54 0.15 -1.26 -5.08 113.70 110.24 1s2u s SER 123 Ca 0.36 -2.89 0.01 0.00 0.70 0.00 0.00 55.95 54.12 1s2u s SER 123 Cb 0.04 -0.67 0.02 0.00 -1.71 0.00 0.00 66.02 63.69 1s2u s SER 123 CO 0.16 -0.21 -0.18 -0.22 1.20 0.00 0.00 173.24 173.99 1s2u s LEU 124 N 0.15 2.24 -0.59 3.45 0.20 -1.26 -5.03 118.68 117.85 1s2u s LEU 124 Ca 0.26 -0.65 0.00 0.00 0.69 0.00 0.00 54.13 54.43 1s2u s LEU 124 Cb -0.08 -1.50 0.44 0.00 -0.43 0.00 0.00 46.19 44.62 1s2u s LEU 124 CO -0.11 -0.01 1.81 1.41 -0.29 0.00 0.00 176.35 179.15 1s2u n HIS 125 N 4.63 3.11 -1.71 5.38 8.25 -1.26 -5.01 115.22 128.61 1s2u n HIS 125 Ca -0.21 -2.78 -0.17 0.00 -0.26 0.00 0.00 57.72 54.31 1s2u n HIS 125 Cb 0.50 -1.12 0.11 0.00 1.12 0.00 0.00 29.99 30.60 1s2u n HIS 125 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1s2u n ASP 126 N -0.82 0.19 -0.06 0.41 5.68 -1.26 -4.97 116.55 115.72 1s2u n ASP 126 Ca 0.57 -1.35 0.15 0.00 -0.50 0.00 0.00 54.79 53.65 1s2u n ASP 126 Cb 0.69 -0.56 0.76 0.00 -1.14 0.00 0.00 41.12 40.86 1s2u n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s2u n GLY 127 N -0.04 -1.03 3.62 6.12 0.00 -1.26 -4.91 105.19 107.68 1s2u n GLY 127 Ca 0.10 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1s2u n GLY 127 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s2u n ARG 128 N -1.02 0.08 -2.59 1.61 1.85 -1.26 -4.96 116.66 110.36 1s2u n ARG 128 Ca 0.17 0.10 -0.37 0.00 -1.00 0.00 0.00 57.85 56.75 1s2u n ARG 128 Cb 0.22 -2.26 -0.05 0.00 -1.05 0.00 0.00 32.46 29.32 1s2u n ARG 128 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s2u s ALA 129 N -2.17 3.16 -0.10 2.89 0.00 -1.26 -4.95 121.76 119.33 1s2u s ALA 129 Ca 0.69 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 1s2u s ALA 129 Cb -0.28 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1s2u s ALA 129 CO 0.55 -0.11 0.92 -0.65 0.00 0.00 0.00 175.76 176.47 1s2u s GLN 130 N -2.25 4.42 0.56 0.00 -0.21 0.33 -4.98 119.66 117.53 1s2u s GLN 130 Ca 0.54 1.24 -0.22 0.00 0.02 0.00 0.00 55.36 56.95 1s2u s GLN 130 Cb -0.22 -3.52 -0.05 0.00 1.00 0.00 0.00 33.01 30.22 1s2u s GLN 130 CO 0.28 -0.23 1.37 -0.35 -2.12 0.00 0.00 175.29 174.25 1s2u n PRO 131 N 4.72 1.67 -4.65 2.91 -0.04 -1.26 -4.83 135.00 133.52 1s2u n PRO 131 Ca 0.06 0.62 -0.31 0.00 -0.04 0.00 0.00 63.50 63.83 1s2u n PRO 131 Cb 0.49 -2.59 -0.08 0.00 -0.04 0.00 0.00 33.50 31.29 1s2u n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1s2u s LEU 132 N -3.57 2.49 0.56 1.53 1.43 -1.26 -4.40 118.68 115.46 1s2u s LEU 132 Ca 0.72 -1.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.08 1s2u s LEU 132 Cb -0.41 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 1s2u s LEU 132 CO 0.48 -0.76 1.30 0.00 0.23 0.00 0.00 176.35 177.60 1s2u n ALA 133 N -1.23 1.35 -1.69 4.21 0.00 -0.27 -4.70 120.51 118.18 1s2u n ALA 133 Ca -0.14 0.10 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 1s2u n ALA 133 Cb 0.67 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 1s2u n ALA 133 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s2u n ASP 134 N -1.05 3.10 -0.20 0.00 2.03 -1.26 -4.85 116.55 114.32 1s2u n ASP 134 Ca 0.11 1.14 -0.03 0.00 0.52 0.00 0.00 54.79 56.54 1s2u n ASP 134 Cb 0.45 -1.48 0.08 0.00 -0.72 0.00 0.00 41.12 39.45 1s2u n ASP 134 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s2u h ILE 135 N 3.17 0.95 -0.56 5.18 2.04 -1.97 -1.46 117.51 124.85 1s2u h ILE 135 Ca -0.45 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1s2u h ILE 135 Cb 1.26 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1s2u h ILE 135 CO 0.78 0.10 0.04 -0.08 0.00 0.00 0.00 178.15 178.99 1s2u h GLU 136 N 0.58 0.92 -0.27 2.37 4.81 -1.98 0.46 114.58 121.46 1s2u h GLU 136 Ca 0.26 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1s2u h GLU 136 Cb 0.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1s2u h GLU 136 CO -0.18 0.89 0.13 1.49 -0.73 0.00 0.00 179.01 180.61 1s2u h GLU 137 N 0.86 0.40 -0.45 1.92 4.81 -1.81 0.12 114.58 120.42 1s2u h GLU 137 Ca 0.17 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1s2u h GLU 137 Cb 0.45 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1s2u h GLU 137 CO 0.02 0.39 -0.25 0.35 -0.73 0.00 0.00 179.01 178.79 1s2u h PHE 138 N 0.31 1.10 -0.89 0.92 3.57 -1.09 0.58 116.94 121.43 1s2u h PHE 138 Ca 0.09 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 1s2u h PHE 138 Cb 0.12 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1s2u h PHE 138 CO -0.02 1.09 0.48 0.00 -2.23 0.00 0.00 178.31 177.63 1s2u h ALA 139 N 0.89 1.14 -0.12 2.41 0.00 -0.69 0.42 119.26 123.30 1s2u h ALA 139 Ca 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1s2u h ALA 139 Cb 0.82 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1s2u h ALA 139 CO 0.07 0.66 -0.36 -0.07 0.00 0.00 0.00 179.25 179.55 1s2u h LEU 140 N 1.25 0.26 -0.25 0.00 3.38 -0.42 0.09 115.31 119.62 1s2u h LEU 140 Ca 0.31 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1s2u h LEU 140 Cb 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1s2u h LEU 140 CO -0.05 0.60 0.05 0.50 0.09 0.00 0.00 178.44 179.64 1s2u h LYS 141 N 0.22 0.41 -0.34 1.13 3.64 0.17 0.15 116.57 121.96 1s2u h LYS 141 Ca 0.02 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1s2u h LYS 141 Cb 0.74 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1s2u h LYS 141 CO 0.06 0.52 0.16 0.82 -2.27 0.00 0.00 179.45 178.73 1s2u h ILE 142 N 0.23 0.97 -0.75 2.00 1.08 -0.64 -1.29 117.51 119.11 1s2u h ILE 142 Ca 0.08 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1s2u h ILE 142 Cb 0.30 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 1s2u h ILE 142 CO 0.00 0.06 0.49 0.50 -0.69 0.00 0.00 178.15 178.52 1s2u h LYS 143 N 0.33 0.96 -0.74 2.37 3.64 -0.70 -0.60 116.57 121.83 1s2u h LYS 143 Ca 0.14 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1s2u h LYS 143 Cb 0.06 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1s2u h LYS 143 CO -0.11 0.64 0.39 0.00 -2.27 0.00 0.00 179.45 178.11 1s2u h ALA 144 N 1.29 0.96 -0.02 5.00 0.00 -0.26 0.20 119.26 126.43 1s2u h ALA 144 Ca 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1s2u h ALA 144 Cb -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1s2u h ALA 144 CO -0.08 0.48 0.01 0.00 0.00 0.00 0.00 179.25 179.66 1s2u h LYS 146 N -0.18 0.74 0.00 0.00 1.79 -0.90 -1.68 116.57 116.34 1s2u h LYS 146 Ca 0.01 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1s2u h LYS 146 Cb 0.21 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1s2u h LYS 146 CO -0.00 0.49 -0.15 -0.44 -1.08 0.00 0.00 179.45 178.26 1s2u h ASP 147 N 0.76 0.00 0.68 0.86 3.32 -0.34 -3.14 116.42 118.55 1s2u h ASP 147 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1s2u h ASP 147 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1s2u h ASP 147 CO -0.14 0.15 -1.05 -1.20 -1.72 0.00 0.00 179.24 175.29 1s2u n SER 148 N -3.48 0.65 -4.77 6.45 7.64 0.01 -4.94 113.62 115.19 1s2u n SER 148 Ca -0.01 0.07 -0.39 0.00 1.01 0.00 0.00 58.87 59.56 1s2u n SER 148 Cb 0.32 0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 64.18 1s2u n SER 148 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s2u s GLN 149 N -3.29 3.91 -0.00 1.43 -2.07 -0.72 -4.88 119.66 114.04 1s2u s GLN 149 Ca 0.01 1.98 0.21 0.00 -1.82 0.00 0.00 55.36 55.75 1s2u s GLN 149 Cb 0.12 -2.64 -0.22 0.00 -1.09 0.00 0.00 33.01 29.19 1s2u s GLN 149 CO 0.79 -0.49 0.84 0.25 -1.32 0.00 0.00 175.29 175.36 1s2u n THR 150 N -0.07 0.01 -3.75 3.63 -2.24 -1.26 -4.73 114.28 105.87 1s2u n THR 150 Ca 0.05 -0.12 -0.38 0.00 -2.27 0.00 0.00 64.05 61.33 1s2u n THR 150 Cb 0.45 0.73 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 1s2u n THR 150 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s2u s ASP 151 N -3.37 5.32 0.56 3.42 -1.08 -1.26 -4.97 116.67 115.30 1s2u s ASP 151 Ca 0.05 -1.14 0.34 0.00 -0.52 0.00 0.00 52.55 51.28 1s2u s ASP 151 Cb 0.16 -1.87 1.86 0.00 -1.46 0.00 0.00 42.92 41.61 1s2u s ASP 151 CO 0.87 -0.33 2.04 1.55 0.52 0.00 0.00 175.17 179.82 1s2u h PRO 152 N 8.22 0.00 -0.00 4.34 0.13 -1.98 -1.64 132.00 141.07 1s2u h PRO 152 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1s2u h PRO 152 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1s2u h PRO 152 CO 0.60 0.00 -0.48 -0.25 -0.23 0.00 0.00 178.00 177.65 1s2u n ASP 153 N -2.77 0.95 -4.68 1.44 8.00 -1.26 -4.90 116.55 113.32 1s2u n ASP 153 Ca -0.02 -0.74 -0.41 0.00 0.71 0.00 0.00 54.79 54.32 1s2u n ASP 153 Cb 0.14 0.34 0.01 0.00 -0.02 0.00 0.00 41.12 41.58 1s2u n ASP 153 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1s2u n PHE 154 N -1.00 1.97 -4.38 1.24 7.35 -0.62 -4.32 117.46 117.69 1s2u n PHE 154 Ca 0.08 0.52 -0.34 0.00 -0.76 0.00 0.00 57.45 56.96 1s2u n PHE 154 Cb 0.36 -2.35 -0.10 0.00 0.35 0.00 0.00 39.48 37.74 1s2u n PHE 154 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s2u s ILE 156 N -0.97 2.20 -0.18 0.00 -1.09 -1.26 -1.00 121.20 118.91 1s2u s ILE 156 Ca 0.16 -1.32 -0.07 0.00 -2.23 0.00 0.00 60.65 57.19 1s2u s ILE 156 Cb -0.11 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 1s2u s ILE 156 CO 0.06 0.21 0.05 -0.69 -1.23 0.00 0.00 174.94 173.33 1s2u s VAL 157 N 1.19 4.65 -0.29 2.92 1.01 -0.24 0.10 120.40 129.75 1s2u s VAL 157 Ca -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1s2u s VAL 157 Cb -0.17 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1s2u s VAL 157 CO -0.08 0.47 0.15 0.00 0.00 0.00 0.00 175.10 175.64 1s2u s ALA 158 N 0.35 3.34 -0.27 5.51 0.00 -0.50 -0.81 121.76 129.39 1s2u s ALA 158 Ca 0.02 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 1s2u s ALA 158 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1s2u s ALA 158 CO 0.01 -0.71 0.58 0.50 0.00 0.00 0.00 175.76 176.14 1s2u s ARG 159 N 1.67 4.05 -0.25 0.00 3.52 0.80 -0.92 118.95 127.81 1s2u s ARG 159 Ca 0.06 0.40 -0.18 0.00 -0.13 0.00 0.00 55.73 55.88 1s2u s ARG 159 Cb -0.16 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 1s2u s ARG 159 CO 0.07 -0.42 0.51 0.08 -0.81 0.00 0.00 175.30 174.73 1s2u s VAL 160 N 2.44 5.08 -1.65 7.11 1.01 -0.68 -2.23 120.40 131.49 1s2u s VAL 160 Ca 0.24 0.88 0.19 0.00 0.00 0.00 0.00 61.98 63.29 1s2u s VAL 160 Cb -0.15 -3.82 0.63 0.00 0.00 0.00 0.00 36.38 33.04 1s2u s VAL 160 CO 0.09 0.10 1.53 -0.62 0.00 0.00 0.00 175.10 176.21 1s2u n GLU 161 N 5.42 3.00 -0.14 2.72 -0.58 -1.26 -3.81 120.64 126.00 1s2u n GLU 161 Ca -0.04 -2.54 -0.03 0.00 -0.42 0.00 0.00 57.16 54.12 1s2u n GLU 161 Cb 0.50 -1.67 0.04 0.00 -0.57 0.00 0.00 31.44 29.74 1s2u n GLU 161 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s2u h ALA 162 N 4.16 0.44 -0.24 0.62 0.00 -1.92 0.82 119.26 123.14 1s2u h ALA 162 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1s2u h ALA 162 Cb 1.11 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1s2u h ALA 162 CO 0.10 -0.37 0.02 0.74 0.00 0.00 0.00 179.25 179.74 1s2u h PHE 163 N 0.14 0.44 -0.67 0.00 0.04 -1.78 0.89 116.94 116.00 1s2u h PHE 163 Ca 0.22 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.94 1s2u h PHE 163 Cb 0.31 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 1s2u h PHE 163 CO -0.27 0.55 0.43 0.82 -0.60 0.00 0.00 178.31 179.25 1s2u h ILE 164 N 0.20 1.14 0.00 -0.55 1.08 -1.66 -2.41 117.51 115.31 1s2u h ILE 164 Ca 0.07 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1s2u h ILE 164 Cb 0.36 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1s2u h ILE 164 CO 0.01 0.16 0.00 0.00 -0.69 0.00 0.00 178.15 177.63 1s2u n ALA 165 N -2.29 1.86 0.00 1.87 0.00 0.25 -4.88 120.51 117.32 1s2u n ALA 165 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1s2u n ALA 165 Cb 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1s2u n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s2u n GLY 166 N 0.21 0.51 3.91 0.00 0.00 -0.91 0.12 105.19 109.04 1s2u n GLY 166 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1s2u n GLY 166 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s2u n TRP 167 N -1.80 -3.49 -3.77 1.61 7.02 0.29 -4.74 117.44 112.56 1s2u n TRP 167 Ca 0.00 -1.47 -0.06 0.00 -1.02 0.00 0.00 57.50 54.95 1s2u n TRP 167 Cb 0.00 -0.89 -0.00 0.00 -2.42 0.00 0.00 31.31 27.99 1s2u n TRP 167 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1s2u n GLY 168 N -3.29 3.32 0.36 6.99 0.00 -1.26 -4.22 105.19 107.08 1s2u n GLY 168 Ca 0.17 -2.21 0.16 0.00 0.00 0.00 0.00 46.02 44.13 1s2u n GLY 168 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s2u h LEU 169 N 0.00 0.71 -0.58 0.99 5.85 -1.97 -0.90 115.31 119.40 1s2u h LEU 169 Ca -0.08 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1s2u h LEU 169 Cb 0.29 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1s2u h LEU 169 CO 0.14 0.19 0.22 -0.78 -0.34 0.00 0.00 178.44 177.87 1s2u h ASP 170 N 0.66 0.81 -0.42 1.25 1.82 -1.99 0.18 116.42 118.73 1s2u h ASP 170 Ca 0.60 -0.18 -0.12 0.00 -0.39 0.00 0.00 57.03 56.94 1s2u h ASP 170 Cb 1.08 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.86 1s2u h ASP 170 CO -0.41 0.78 -0.20 -0.08 -1.61 0.00 0.00 179.24 177.72 1s2u h GLU 171 N 0.80 0.88 -0.67 0.28 4.57 -1.68 -1.21 114.58 117.56 1s2u h GLU 171 Ca 0.19 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1s2u h GLU 171 Cb 0.23 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1s2u h GLU 171 CO -0.01 1.03 0.39 0.00 -1.18 0.00 0.00 179.01 179.24 1s2u h ALA 172 N 0.83 0.85 -0.17 2.92 0.00 -0.89 -1.05 119.26 121.75 1s2u h ALA 172 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1s2u h ALA 172 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1s2u h ALA 172 CO 0.06 0.34 -0.05 1.25 0.00 0.00 0.00 179.25 180.86 1s2u h LEU 173 N 0.91 0.33 -0.74 0.00 5.85 -0.51 -0.13 115.31 121.01 1s2u h LEU 173 Ca 0.24 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1s2u h LEU 173 Cb 0.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1s2u h LEU 173 CO -0.04 0.63 0.45 0.11 -0.34 0.00 0.00 178.44 179.25 1s2u h LYS 174 N 0.03 0.83 -0.07 1.25 1.57 -1.05 0.18 116.57 119.31 1s2u h LYS 174 Ca 0.04 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1s2u h LYS 174 Cb 0.49 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1s2u h LYS 174 CO 0.02 0.55 -0.09 0.00 -0.57 0.00 0.00 179.45 179.35 1s2u h ARG 175 N 0.85 0.18 -0.45 3.15 3.08 -1.15 -1.02 114.38 119.02 1s2u h ARG 175 Ca 0.31 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.33 1s2u h ARG 175 Cb 0.10 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1s2u h ARG 175 CO -0.15 0.66 0.07 0.00 -1.07 0.00 0.00 179.97 179.49 1s2u h ALA 176 N 0.52 0.48 -0.56 0.04 0.00 -0.64 0.37 119.26 119.48 1s2u h ALA 176 Ca 0.01 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1s2u h ALA 176 Cb 0.64 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1s2u h ALA 176 CO 0.02 -0.33 0.10 0.93 0.00 0.00 0.00 179.25 179.97 1s2u h GLU 177 N 0.20 0.93 -0.72 0.00 5.08 -0.63 0.24 114.58 119.68 1s2u h GLU 177 Ca 0.22 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1s2u h GLU 177 Cb 0.29 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1s2u h GLU 177 CO -0.30 0.89 0.41 0.00 -1.00 0.00 0.00 179.01 179.01 1s2u h ALA 178 N 1.00 0.92 -0.14 3.43 0.00 -0.38 0.13 119.26 124.22 1s2u h ALA 178 Ca 0.17 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1s2u h ALA 178 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1s2u h ALA 178 CO 0.01 0.41 -0.71 1.88 0.00 0.00 0.00 179.25 180.84 1s2u h TYR 179 N 0.98 0.82 -0.66 0.00 0.05 -0.74 -0.70 116.97 116.71 1s2u h TYR 179 Ca 0.26 -0.35 -0.07 0.00 0.05 0.00 0.00 58.73 58.61 1s2u h TYR 179 Cb 0.00 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 1s2u h TYR 179 CO -0.01 1.13 0.12 -0.09 -1.05 0.00 0.00 178.16 178.27 1s2u h ARG 180 N 0.44 1.09 0.00 4.88 9.65 -0.73 -0.53 114.38 129.17 1s2u h ARG 180 Ca -0.03 -0.28 -0.08 0.00 -1.10 0.00 0.00 59.98 58.49 1s2u h ARG 180 Cb 1.30 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 1s2u h ARG 180 CO 0.14 0.99 -0.37 -0.91 2.80 0.00 0.00 179.97 182.62 1s2u h ASN 181 N 1.01 0.00 0.45 -3.80 2.35 -0.56 -1.36 115.58 113.67 1s2u h ASN 181 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1s2u h ASN 181 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1s2u h ASN 181 CO 0.01 0.37 0.00 0.00 -1.65 0.00 0.00 177.43 176.16 1s2u n ALA 182 N -2.39 2.23 0.00 -0.83 0.00 -0.29 -4.87 120.51 114.36 1s2u n ALA 182 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1s2u n ALA 182 Cb 0.43 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1s2u n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s2u n GLY 183 N 0.77 1.10 3.74 0.00 0.00 -0.51 -3.94 105.19 106.34 1s2u n GLY 183 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1s2u n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s2u n ALA 184 N -1.15 1.90 0.28 4.61 0.00 -0.26 -4.86 120.51 121.03 1s2u n ALA 184 Ca 0.00 0.36 0.13 0.00 0.00 0.00 0.00 53.44 53.93 1s2u n ALA 184 Cb 0.00 -2.35 0.34 0.00 0.00 0.00 0.00 19.45 17.44 1s2u n ALA 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s2u h ASP 185 N 3.06 0.00 -4.66 0.00 3.32 -0.68 -3.44 116.42 114.02 1s2u h ASP 185 Ca -0.48 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.66 1s2u h ASP 185 Cb 1.26 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 1s2u h ASP 185 CO 0.66 0.00 0.46 0.00 -1.72 0.00 0.00 179.24 178.63 1s2u s ALA 186 N -3.32 -1.80 -0.14 3.45 0.00 -1.22 -4.51 121.76 114.22 1s2u s ALA 186 Ca 0.06 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 1s2u s ALA 186 Cb 0.07 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1s2u s ALA 186 CO 0.62 -0.67 -0.14 0.42 0.00 0.00 0.00 175.76 175.99 1s2u s ILE 187 N -3.04 2.90 -0.39 0.00 -1.09 -0.43 -1.40 121.20 117.74 1s2u s ILE 187 Ca 0.04 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.59 1s2u s ILE 187 Cb -0.01 -2.22 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 1s2u s ILE 187 CO -0.09 0.52 0.41 -0.22 -1.23 0.00 0.00 174.94 174.33 1s2u s LEU 188 N 0.58 4.68 -0.30 2.97 0.20 -0.10 0.27 118.68 126.99 1s2u s LEU 188 Ca -0.08 -0.48 -0.11 0.00 0.69 0.00 0.00 54.13 54.14 1s2u s LEU 188 Cb -0.16 -2.37 -0.04 0.00 -0.43 0.00 0.00 46.19 43.19 1s2u s LEU 188 CO 0.03 -0.48 0.20 -0.32 -0.29 0.00 0.00 176.35 175.50 1s2u s MET 189 N 2.09 3.83 0.29 1.98 -2.45 -0.04 -1.69 119.30 123.31 1s2u s MET 189 Ca 0.12 -0.40 0.11 0.00 -1.25 0.00 0.00 55.69 54.26 1s2u s MET 189 Cb -0.17 -3.70 -0.05 0.00 1.25 0.00 0.00 34.83 32.16 1s2u s MET 189 CO 0.13 -0.25 -0.11 -1.58 1.05 0.00 0.00 175.02 174.26 1s2u s HIS 190 N 1.75 2.45 0.10 4.11 2.46 -1.25 -4.51 115.29 120.40 1s2u s HIS 190 Ca 0.07 -0.32 -0.10 0.00 0.47 0.00 0.00 55.06 55.18 1s2u s HIS 190 Cb -0.16 -1.13 0.01 0.00 -0.13 0.00 0.00 32.58 31.17 1s2u s HIS 190 CO 0.11 0.66 0.24 -1.54 -2.47 0.00 0.00 174.74 171.74 1s2u s SER 191 N -3.59 0.03 -0.00 9.88 1.04 -1.26 -4.25 113.70 115.56 1s2u s SER 191 Ca 0.31 -0.57 0.21 0.00 0.48 0.00 0.00 55.95 56.38 1s2u s SER 191 Cb -0.05 0.37 -0.23 0.00 0.10 0.00 0.00 66.02 66.22 1s2u s SER 191 CO 0.17 -0.75 0.89 2.29 0.98 0.00 0.00 173.24 176.81 1s2u n LYS 192 N -0.08 0.07 -1.12 4.02 2.85 -1.26 -4.95 118.16 117.69 1s2u n LYS 192 Ca -0.15 -0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.77 1s2u n LYS 192 Cb 0.63 -1.49 0.13 0.00 -0.65 0.00 0.00 35.03 33.64 1s2u n LYS 192 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1s2u s LYS 193 N -2.99 1.64 -0.13 -1.58 1.02 -1.26 -4.93 119.74 111.52 1s2u s LYS 193 Ca 0.08 1.72 0.14 0.00 0.02 0.00 0.00 55.97 57.93 1s2u s LYS 193 Cb 0.16 -1.78 0.62 0.00 -0.52 0.00 0.00 37.83 36.31 1s2u s LYS 193 CO 0.86 -2.20 1.49 0.00 -0.92 0.00 0.00 175.35 174.58 1s2u n ALA 194 N -3.33 3.23 -2.50 5.17 0.00 -1.26 -4.23 120.51 117.59 1s2u n ALA 194 Ca 0.13 -1.39 -0.10 0.00 0.00 0.00 0.00 53.44 52.08 1s2u n ALA 194 Cb 0.51 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 1s2u n ALA 194 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1s2u s ASP 195 N -0.75 0.14 -0.10 0.00 1.47 -1.26 -4.41 116.67 111.76 1s2u s ASP 195 Ca 0.43 -1.00 0.06 0.00 1.18 0.00 0.00 52.55 53.22 1s2u s ASP 195 Cb 0.30 0.38 0.35 0.00 -0.34 0.00 0.00 42.92 43.61 1s2u s ASP 195 CO 0.18 -0.83 1.05 -0.81 0.68 0.00 0.00 175.17 175.44 1s2u n PRO 196 N -0.17 2.64 -0.10 2.11 -0.04 -1.26 -4.60 135.00 133.58 1s2u n PRO 196 Ca -0.06 -1.35 -0.06 0.00 -0.04 0.00 0.00 63.50 61.98 1s2u n PRO 196 Cb 0.63 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1s2u n PRO 196 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s2u h SER 197 N 1.74 -0.06 -0.61 3.54 4.64 -1.97 0.38 113.55 121.20 1s2u h SER 197 Ca 0.00 0.07 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 1s2u h SER 197 Cb 1.10 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 1s2u h SER 197 CO 0.20 0.00 0.32 0.44 -0.87 0.00 0.00 176.83 176.93 1s2u h ASP 198 N 0.14 0.46 -0.72 4.97 3.32 -1.99 0.32 116.42 122.92 1s2u h ASP 198 Ca 0.16 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1s2u h ASP 198 Cb 0.20 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1s2u h ASP 198 CO -0.24 0.30 0.37 0.40 -1.72 0.00 0.00 179.24 178.34 1s2u h ILE 199 N 0.59 1.23 -0.39 0.35 1.08 -1.77 -0.58 117.51 118.02 1s2u h ILE 199 Ca 0.28 -0.62 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1s2u h ILE 199 Cb 0.19 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 1s2u h ILE 199 CO -0.19 0.26 0.10 -0.33 -0.69 0.00 0.00 178.15 177.31 1s2u h GLU 200 N 1.00 0.63 -0.66 2.37 5.08 0.22 -1.01 114.58 122.21 1s2u h GLU 200 Ca 0.25 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1s2u h GLU 200 Cb 0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1s2u h GLU 200 CO -0.04 0.65 0.24 0.00 -1.00 0.00 0.00 179.01 178.86 1s2u h ALA 201 N 0.95 0.86 -0.14 3.43 0.00 -0.10 -2.02 119.26 122.25 1s2u h ALA 201 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1s2u h ALA 201 Cb 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1s2u h ALA 201 CO 0.00 0.51 -0.04 0.35 0.00 0.00 0.00 179.25 180.07 1s2u h PHE 202 N 0.94 0.31 -0.62 0.00 3.57 -0.95 -2.61 116.94 117.58 1s2u h PHE 202 Ca 0.22 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1s2u h PHE 202 Cb 0.25 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1s2u h PHE 202 CO 0.02 0.57 0.40 0.52 -2.23 0.00 0.00 178.31 177.58 1s2u h MET 203 N -0.04 0.83 0.07 1.11 2.86 -1.11 0.69 114.93 119.35 1s2u h MET 203 Ca 0.03 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1s2u h MET 203 Cb 0.47 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1s2u h MET 203 CO 0.01 0.56 -0.04 -0.22 1.06 0.00 0.00 176.91 178.29 1s2u h LYS 204 N 0.85 -0.10 -0.04 1.72 3.11 -1.30 -3.18 116.57 117.64 1s2u h LYS 204 Ca 0.23 0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.92 1s2u h LYS 204 Cb -0.07 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 1s2u h LYS 204 CO -0.05 0.07 -0.66 0.00 -2.81 0.00 0.00 179.45 176.01 1s2u h ALA 205 N 0.67 0.81 -0.43 5.00 0.00 -1.08 -3.31 119.26 120.92 1s2u h ALA 205 Ca -0.01 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.37 1s2u h ALA 205 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s2u h ALA 205 CO 0.02 0.78 0.29 2.35 0.00 0.00 0.00 179.25 182.69 1s2u h TRP 206 N 0.12 0.36 -5.71 0.00 -0.00 0.42 -3.46 115.95 107.67 1s2u h TRP 206 Ca -0.01 0.01 -0.43 0.00 -0.00 0.00 0.00 58.89 58.45 1s2u h TRP 206 Cb 1.19 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 30.22 1s2u h TRP 206 CO 0.02 0.20 -0.68 0.09 -0.00 0.00 0.00 178.44 178.07 1s2u n ASN 207 N -4.48 -5.06 -4.01 2.65 3.02 -1.23 -2.94 115.26 103.21 1s2u n ASN 207 Ca 0.05 -0.57 -0.38 0.00 -0.03 0.00 0.00 54.58 53.65 1s2u n ASN 207 Cb 0.24 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 1s2u n ASN 207 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1s2u n ASN 208 N -2.68 -3.10 0.00 6.41 5.15 -1.26 -4.84 115.26 114.94 1s2u n ASN 208 Ca -0.00 -1.20 0.14 0.00 -0.60 0.00 0.00 54.58 52.92 1s2u n ASN 208 Cb 0.55 -2.21 0.58 0.00 -0.53 0.00 0.00 39.78 38.18 1s2u n ASN 208 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s2u n GLN 209 N -4.71 0.01 0.00 1.20 6.02 -1.15 -4.93 117.38 113.82 1s2u n GLN 209 Ca -0.17 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1s2u n GLN 209 Cb 0.61 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1s2u n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s2u n GLY 210 N 1.49 0.40 3.77 1.08 0.00 -1.26 -5.08 105.19 105.60 1s2u n GLY 210 Ca 0.07 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1s2u n GLY 210 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1s2u s PRO 211 N -2.00 3.82 -0.07 1.61 0.02 -1.26 -4.87 135.00 132.25 1s2u s PRO 211 Ca 0.00 2.51 0.05 0.00 0.02 0.00 0.00 61.00 63.58 1s2u s PRO 211 Cb 0.00 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.74 1s2u s PRO 211 CO 0.00 -0.74 -0.24 0.08 -0.33 0.00 0.00 177.00 175.77 1s2u s VAL 212 N -1.17 2.18 -0.06 3.83 1.01 -1.26 -1.32 120.40 123.62 1s2u s VAL 212 Ca 0.58 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1s2u s VAL 212 Cb -0.45 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1s2u s VAL 212 CO 0.60 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 175.46 1s2u s VAL 213 N -0.11 3.31 0.15 2.92 1.01 0.14 -0.54 120.40 127.29 1s2u s VAL 213 Ca -0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1s2u s VAL 213 Cb -0.14 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1s2u s VAL 213 CO 0.04 0.59 -0.06 0.27 0.00 0.00 0.00 175.10 175.94 1s2u s ILE 214 N -0.69 0.95 -0.39 2.22 -4.36 -0.14 -0.86 121.20 117.94 1s2u s ILE 214 Ca 0.10 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 1s2u s ILE 214 Cb -0.11 -1.94 0.12 0.00 1.25 0.00 0.00 42.46 41.78 1s2u s ILE 214 CO 0.01 -0.66 0.15 -0.69 0.24 0.00 0.00 174.94 174.00 1s2u s VAL 215 N -3.47 1.54 -1.75 8.37 1.01 -1.26 -0.87 120.40 123.98 1s2u s VAL 215 Ca 0.19 -2.22 0.00 0.00 0.00 0.00 0.00 61.98 59.95 1s2u s VAL 215 Cb 0.04 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1s2u s VAL 215 CO 0.01 -0.75 0.56 -2.65 0.00 0.00 0.00 175.10 172.27 1s2u n PRO 216 N 4.07 0.64 -0.21 2.72 -0.02 -1.26 -4.52 135.00 136.42 1s2u n PRO 216 Ca 0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1s2u n PRO 216 Cb 0.38 -1.08 0.06 0.00 -0.02 0.00 0.00 33.50 32.84 1s2u n PRO 216 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1s2u h THR 217 N 0.00 0.32 0.00 3.45 2.02 -1.95 -0.11 112.91 116.64 1s2u h THR 217 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 1s2u h THR 217 Cb 0.08 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1s2u h THR 217 CO 0.00 0.00 -0.70 0.11 0.37 0.00 0.00 175.52 175.30 1s2u h LYS 218 N -0.03 0.00 -1.40 6.66 1.79 -1.83 -3.30 116.57 118.46 1s2u h LYS 218 Ca 0.30 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 58.15 1s2u h LYS 218 Cb 0.49 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.75 1s2u h LYS 218 CO -0.67 0.70 -0.33 2.48 -1.08 0.00 0.00 179.45 180.55 1s2u n TYR 219 N -3.31 3.19 0.31 -1.35 4.11 -0.90 -4.49 117.16 114.72 1s2u n TYR 219 Ca 0.01 -2.78 0.09 0.00 -0.00 0.00 0.00 57.90 55.22 1s2u n TYR 219 Cb 0.80 -0.42 0.42 0.00 -0.00 0.00 0.00 39.34 40.14 1s2u n TYR 219 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.86 179.34 1s2u n TYR 220 N -0.57 0.54 0.58 -3.48 4.11 -0.10 -1.90 117.16 116.34 1s2u n TYR 220 Ca 0.44 0.24 0.13 0.00 -0.00 0.00 0.00 57.90 58.71 1s2u n TYR 220 Cb 0.65 -0.88 0.40 0.00 -0.00 0.00 0.00 39.34 39.52 1s2u n TYR 220 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1s2u h LYS 221 N 0.00 0.00 -6.68 -3.48 1.79 -1.87 -3.45 116.57 102.88 1s2u h LYS 221 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1s2u h LYS 221 Cb 0.21 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.93 1s2u h LYS 221 CO 0.00 0.00 0.90 2.41 -1.08 0.00 0.00 179.45 181.68 1s2u n THR 222 N -2.31 0.44 -1.96 -0.16 -1.04 -0.80 -4.90 114.28 103.54 1s2u n THR 222 Ca 0.05 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 1s2u n THR 222 Cb 0.42 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1s2u n THR 222 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1s2u s PRO 223 N 0.41 4.23 0.54 -2.82 0.02 -1.26 -4.89 135.00 131.24 1s2u s PRO 223 Ca 0.71 2.33 0.23 0.00 0.02 0.00 0.00 61.00 64.29 1s2u s PRO 223 Cb -0.54 -3.16 1.44 0.00 0.02 0.00 0.00 34.50 32.25 1s2u s PRO 223 CO 0.40 -0.58 2.09 1.15 -0.33 0.00 0.00 177.00 179.73 1s2u h THR 224 N 4.03 0.76 0.00 0.99 2.02 -1.94 -0.72 112.91 118.05 1s2u h THR 224 Ca -0.43 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1s2u h THR 224 Cb 1.21 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1s2u h THR 224 CO 0.91 0.00 -0.09 0.44 0.37 0.00 0.00 175.52 177.15 1s2u h ASP 225 N 0.00 0.00 -0.08 4.18 3.45 -2.00 -1.71 116.42 120.26 1s2u h ASP 225 Ca 0.11 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 1s2u h ASP 225 Cb 0.46 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1s2u h ASP 225 CO -0.00 0.09 -0.16 -0.74 -1.57 0.00 0.00 179.24 176.86 1s2u h HIS 226 N 0.00 0.47 -0.25 4.55 2.76 -1.50 0.17 115.15 121.34 1s2u h HIS 226 Ca -0.00 -0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 57.93 1s2u h HIS 226 Cb 0.35 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 1s2u h HIS 226 CO 0.00 0.57 -0.53 0.74 -1.30 0.00 0.00 177.93 177.42 1s2u h PHE 227 N 0.40 0.91 -0.20 5.26 0.04 -1.42 -2.07 116.94 119.85 1s2u h PHE 227 Ca 0.07 -0.32 -0.01 0.00 2.80 0.00 0.00 57.97 60.51 1s2u h PHE 227 Cb 0.51 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1s2u h PHE 227 CO 0.01 1.10 0.07 0.00 -0.60 0.00 0.00 178.31 178.89 1s2u h ARG 228 N 0.56 0.31 -0.75 1.51 3.08 -1.28 -1.03 114.38 116.79 1s2u h ARG 228 Ca 0.02 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.14 1s2u h ARG 228 Cb 1.10 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.05 1s2u h ARG 228 CO 0.11 0.39 0.50 -0.44 -1.07 0.00 0.00 179.97 179.46 1s2u h ASP 229 N 0.16 0.46 0.46 7.04 3.32 -0.52 0.10 116.42 127.44 1s2u h ASP 229 Ca 0.07 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1s2u h ASP 229 Cb 0.21 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1s2u h ASP 229 CO -0.00 0.25 -0.12 0.23 -1.72 0.00 0.00 179.24 177.88 1s2u n MET 230 N -4.49 0.54 -1.14 3.56 2.81 -0.79 -4.93 117.12 112.67 1s2u n MET 230 Ca 0.14 -0.17 -0.02 0.00 -1.81 0.00 0.00 57.70 55.84 1s2u n MET 230 Cb 0.46 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.47 1s2u n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s2u n GLY 231 N 1.32 0.53 3.77 3.03 0.00 0.36 -4.96 105.19 109.24 1s2u n GLY 231 Ca 0.13 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1s2u n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s2u s VAL 232 N -2.09 2.07 -0.08 1.61 1.01 -0.46 -4.75 120.40 117.72 1s2u s VAL 232 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1s2u s VAL 232 Cb 0.00 -3.04 -0.27 0.00 0.00 0.00 0.00 36.38 33.07 1s2u s VAL 232 CO 0.00 0.01 0.54 -1.28 0.00 0.00 0.00 175.10 174.38 1s2u h SER 233 N 2.73 0.37 -4.27 3.32 0.87 -1.15 -3.41 113.55 112.01 1s2u h SER 233 Ca -0.51 -0.72 -0.14 0.00 -1.23 0.00 0.00 61.79 59.19 1s2u h SER 233 Cb 1.25 -0.12 -0.23 0.00 -0.44 0.00 0.00 62.40 62.86 1s2u h SER 233 CO 0.63 1.64 -0.37 -0.32 -0.53 0.00 0.00 176.83 177.88 1s2u s MET 234 N -2.58 0.44 -0.09 2.24 1.75 -0.94 -0.87 119.30 119.25 1s2u s MET 234 Ca -0.16 0.15 0.01 0.00 -1.25 0.00 0.00 55.69 54.43 1s2u s MET 234 Cb 0.07 0.20 -0.03 0.00 2.84 0.00 0.00 34.83 37.91 1s2u s MET 234 CO 0.81 -0.09 -0.09 0.08 -0.65 0.00 0.00 175.02 175.08 1s2u s VAL 235 N -0.42 3.50 -0.21 10.11 1.01 0.13 -0.97 120.40 133.56 1s2u s VAL 235 Ca -0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1s2u s VAL 235 Cb -0.04 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1s2u s VAL 235 CO 0.02 0.57 -0.05 -0.63 0.00 0.00 0.00 175.10 175.01 1s2u s ILE 236 N -0.45 3.41 -0.75 2.22 1.01 -0.05 -1.82 121.20 124.78 1s2u s ILE 236 Ca 0.06 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 1s2u s ILE 236 Cb -0.12 -2.54 0.12 0.00 0.01 0.00 0.00 42.46 39.93 1s2u s ILE 236 CO 0.02 0.43 0.92 0.26 0.00 0.00 0.00 174.94 176.57 1s2u s TRP 237 N 1.33 3.04 0.37 3.97 0.23 -0.59 -4.18 118.94 123.11 1s2u s TRP 237 Ca 0.04 -1.11 0.09 0.00 -2.03 0.00 0.00 56.10 53.08 1s2u s TRP 237 Cb -0.14 -4.15 0.73 0.00 0.03 0.00 0.00 33.47 29.93 1s2u s TRP 237 CO -0.02 -1.42 1.88 0.00 0.96 0.00 0.00 176.95 178.36 1s2u h ALA 238 N 9.02 1.44 0.00 0.98 0.00 -1.96 -0.56 119.26 128.19 1s2u h ALA 238 Ca -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1s2u h ALA 238 Cb 1.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1s2u h ALA 238 CO 1.09 0.39 -0.07 0.27 0.00 0.00 0.00 179.25 180.93 1s2u n ASN 239 N -4.24 -0.11 0.18 0.00 0.23 -1.26 -4.66 115.26 105.40 1s2u n ASN 239 Ca -0.01 -1.18 0.05 0.00 -0.53 0.00 0.00 54.58 52.92 1s2u n ASN 239 Cb 0.29 0.02 0.28 0.00 -2.08 0.00 0.00 39.78 38.30 1s2u n ASN 239 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1s2u h HIS 240 N 0.01 0.00 -0.04 -2.53 -0.00 -1.91 -2.09 115.15 108.59 1s2u h HIS 240 Ca -0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.06 1s2u h HIS 240 Cb 1.08 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.50 1s2u h HIS 240 CO -0.25 0.39 -0.93 -0.91 -0.00 0.00 0.00 177.93 176.22 1s2u h ASN 241 N 0.00 0.76 -0.39 2.45 2.35 -1.93 -0.47 115.58 118.35 1s2u h ASN 241 Ca -0.00 -0.57 -0.02 0.00 -0.55 0.00 0.00 56.30 55.15 1s2u h ASN 241 Cb 0.99 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1s2u h ASN 241 CO 0.05 1.37 0.17 0.25 -1.65 0.00 0.00 177.43 177.62 1s2u h LEU 242 N 0.36 0.53 -0.99 1.61 5.85 -1.88 0.28 115.31 121.07 1s2u h LEU 242 Ca -0.09 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1s2u h LEU 242 Cb 1.57 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 1s2u h LEU 242 CO 0.18 0.53 -0.16 0.03 -0.34 0.00 0.00 178.44 178.67 1s2u h ARG 243 N 0.49 0.55 -0.35 1.25 3.08 -1.32 -1.93 114.38 116.15 1s2u h ARG 243 Ca 0.13 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 1s2u h ARG 243 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1s2u h ARG 243 CO -0.01 0.69 -0.42 0.00 -1.07 0.00 0.00 179.97 179.16 1s2u h ALA 244 N 1.33 0.60 -0.41 0.04 0.00 -0.82 -2.81 119.26 117.18 1s2u h ALA 244 Ca 0.08 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1s2u h ALA 244 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1s2u h ALA 244 CO 0.04 0.68 0.26 1.03 0.00 0.00 0.00 179.25 181.25 1s2u h SER 245 N 0.71 0.49 -0.83 0.00 0.87 -0.63 -1.78 113.55 112.38 1s2u h SER 245 Ca 0.05 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1s2u h SER 245 Cb 1.00 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.80 1s2u h SER 245 CO 0.10 0.39 0.45 0.58 -0.53 0.00 0.00 176.83 177.81 1s2u h VAL 246 N 0.55 1.25 -0.07 2.23 2.07 -1.35 0.13 116.25 121.06 1s2u h VAL 246 Ca 0.15 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1s2u h VAL 246 Cb -0.02 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1s2u h VAL 246 CO -0.03 0.28 0.04 0.28 0.02 0.00 0.00 177.57 178.15 1s2u h SER 247 N 1.16 0.09 -0.33 0.57 0.02 -1.21 0.36 113.55 114.21 1s2u h SER 247 Ca 0.29 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1s2u h SER 247 Cb 0.04 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1s2u h SER 247 CO -0.05 0.16 0.17 0.00 -1.14 0.00 0.00 176.83 175.97 1s2u h ALA 248 N 0.93 0.43 -0.41 3.77 0.00 -0.98 -0.55 119.26 122.45 1s2u h ALA 248 Ca 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1s2u h ALA 248 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1s2u h ALA 248 CO -0.00 -0.02 0.10 0.82 0.00 0.00 0.00 179.25 180.15 1s2u h ILE 249 N 0.40 1.23 -0.62 0.00 2.04 -0.64 0.25 117.51 120.17 1s2u h ILE 249 Ca 0.11 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1s2u h ILE 249 Cb 0.10 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1s2u h ILE 249 CO -0.02 0.27 0.36 1.56 0.00 0.00 0.00 178.15 180.33 1s2u h GLN 250 N 0.52 0.84 -0.30 2.37 4.20 -0.80 0.15 115.11 122.09 1s2u h GLN 250 Ca 0.13 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1s2u h GLN 250 Cb 0.30 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1s2u h GLN 250 CO 0.00 0.61 -0.14 1.96 -0.67 0.00 0.00 178.83 180.59 1s2u h GLN 251 N 0.83 0.62 -0.46 1.46 4.20 -0.89 -2.01 115.11 118.87 1s2u h GLN 251 Ca 0.22 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1s2u h GLN 251 Cb -0.01 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1s2u h GLN 251 CO -0.04 0.85 -0.08 1.15 -0.67 0.00 0.00 178.83 180.04 1s2u h THR 252 N 0.38 1.27 -0.15 -0.54 2.02 -0.34 -2.30 112.91 113.25 1s2u h THR 252 Ca 0.07 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1s2u h THR 252 Cb 0.66 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1s2u h THR 252 CO 0.04 0.41 0.04 0.74 0.37 0.00 0.00 175.52 177.12 1s2u h THR 253 N 0.71 1.19 -0.94 3.16 2.02 -0.69 -2.42 112.91 115.93 1s2u h THR 253 Ca 0.12 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1s2u h THR 253 Cb 0.61 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 1s2u h THR 253 CO 0.04 0.17 0.59 0.50 0.37 0.00 0.00 175.52 177.20 1s2u h LYS 254 N 0.05 1.26 -0.34 6.66 3.64 -1.36 0.12 116.57 126.60 1s2u h LYS 254 Ca 0.05 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1s2u h LYS 254 Cb 0.23 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1s2u h LYS 254 CO -0.00 0.86 0.20 0.37 -2.27 0.00 0.00 179.45 178.61 1s2u h GLN 255 N 1.29 0.47 -0.36 1.90 5.75 -1.30 0.17 115.11 123.03 1s2u h GLN 255 Ca 0.34 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.64 1s2u h GLN 255 Cb -0.10 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 1s2u h GLN 255 CO -0.07 0.37 -0.37 0.82 -2.65 0.00 0.00 178.83 176.93 1s2u h ILE 256 N 0.43 1.28 -0.32 2.39 2.04 -1.20 0.17 117.51 122.30 1s2u h ILE 256 Ca 0.12 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.47 1s2u h ILE 256 Cb 0.03 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1s2u h ILE 256 CO -0.02 0.51 0.13 0.22 0.00 0.00 0.00 178.15 178.99 1s2u h TYR 257 N 0.70 0.23 -0.19 1.37 3.20 -0.45 0.43 116.97 122.25 1s2u h TYR 257 Ca 0.06 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1s2u h TYR 257 Cb 0.96 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1s2u h TYR 257 CO 0.07 0.11 -0.05 -0.44 -1.64 0.00 0.00 178.16 176.21 1s2u h ASP 258 N 0.28 0.37 1.34 -2.11 3.32 -0.53 -3.30 116.42 115.78 1s2u h ASP 258 Ca 0.14 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.68 1s2u h ASP 258 Cb 0.09 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1s2u h ASP 258 CO -0.12 0.66 -0.67 0.44 -1.72 0.00 0.00 179.24 177.82 1s2u h ASP 259 N 0.08 0.00 -5.44 6.45 3.32 -0.87 -3.47 116.42 116.49 1s2u h ASP 259 Ca 0.05 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.68 1s2u h ASP 259 Cb 0.50 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.06 1s2u h ASP 259 CO 0.02 0.61 -0.65 0.00 -1.72 0.00 0.00 179.24 177.51 1s2u n GLN 260 N -3.23 -5.16 -3.55 3.56 6.02 0.15 -4.92 117.38 110.25 1s2u n GLN 260 Ca 0.01 0.70 -0.11 0.00 -0.01 0.00 0.00 57.00 57.59 1s2u n GLN 260 Cb 0.79 -5.57 -0.03 0.00 1.02 0.00 0.00 30.24 26.45 1s2u n GLN 260 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1s2u s SER 261 N -2.96 -0.43 0.00 1.08 0.15 -1.25 -5.05 113.70 105.23 1s2u s SER 261 Ca 0.47 -0.19 0.18 0.00 0.70 0.00 0.00 55.95 57.11 1s2u s SER 261 Cb -0.23 0.59 0.08 0.00 -1.71 0.00 0.00 66.02 64.75 1s2u s SER 261 CO 0.58 -1.00 1.01 0.18 1.20 0.00 0.00 173.24 175.21 1s2u n LEU 262 N -0.36 2.18 -0.16 3.45 4.77 -1.26 -4.48 117.00 121.15 1s2u n LEU 262 Ca -0.14 -0.89 0.22 0.00 -0.03 0.00 0.00 56.01 55.16 1s2u n LEU 262 Cb 0.64 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.34 1s2u n LEU 262 CO 0.14 0.39 1.22 -0.37 -1.33 0.00 0.00 177.39 177.45 1s2u h VAL 263 N 2.90 0.67 -0.60 4.08 -1.51 -1.97 -1.35 116.25 118.47 1s2u h VAL 263 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1s2u h VAL 263 Cb 0.70 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1s2u h VAL 263 CO 0.00 0.04 0.00 0.59 -1.23 0.00 0.00 177.57 176.97 1s2u n ASN 264 N -4.40 3.20 0.00 4.19 3.02 -1.26 -4.32 115.26 115.68 1s2u n ASN 264 Ca 0.16 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1s2u n ASN 264 Cb 0.73 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1s2u n ASN 264 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1s2u n VAL 265 N 1.25 0.00 -0.29 2.41 0.24 -0.59 -4.77 118.33 116.57 1s2u n VAL 265 Ca 0.20 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.61 1s2u n VAL 265 Cb 0.50 -0.60 0.25 0.00 -1.47 0.00 0.00 33.84 32.52 1s2u n VAL 265 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1s2u h GLU 266 N 0.00 0.14 -0.00 7.34 4.57 -1.54 0.43 114.58 125.53 1s2u h GLU 266 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1s2u h GLU 266 Cb 0.65 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1s2u h GLU 266 CO 0.00 0.09 -0.02 -0.25 -1.18 0.00 0.00 179.01 177.65 1s2u n ASP 267 N -5.30 0.23 -0.51 1.04 8.00 -1.26 -3.67 116.55 115.08 1s2u n ASP 267 Ca 0.19 -0.73 0.07 0.00 0.71 0.00 0.00 54.79 55.03 1s2u n ASP 267 Cb 0.63 -0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.69 1s2u n ASP 267 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s2u n LYS 268 N -0.96 0.92 -4.36 -1.24 5.02 0.15 -5.01 118.16 112.68 1s2u n LYS 268 Ca 0.19 -1.24 -0.19 0.00 -2.02 0.00 0.00 58.31 55.05 1s2u n LYS 268 Cb 0.20 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 1s2u n LYS 268 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1s2u s ILE 269 N -1.14 1.70 0.70 -0.18 -4.36 -1.04 -5.10 121.20 111.77 1s2u s ILE 269 Ca 0.15 -2.19 -0.15 0.00 -0.26 0.00 0.00 60.65 58.20 1s2u s ILE 269 Cb 0.11 -2.14 0.02 0.00 1.25 0.00 0.00 42.46 41.70 1s2u s ILE 269 CO 0.18 -0.53 1.18 0.68 0.24 0.00 0.00 174.94 176.69 1s2u s VAL 270 N -2.99 2.58 0.88 8.37 -7.23 -1.26 -4.97 120.40 115.77 1s2u s VAL 270 Ca 0.24 0.29 -0.12 0.00 -1.81 0.00 0.00 61.98 60.58 1s2u s VAL 270 Cb 0.00 -2.87 0.12 0.00 0.56 0.00 0.00 36.38 34.19 1s2u s VAL 270 CO 0.08 -0.15 1.10 -0.94 -0.31 0.00 0.00 175.10 174.88 1s2u s SER 271 N -2.11 3.72 0.30 4.85 1.04 -1.26 -4.92 113.70 115.32 1s2u s SER 271 Ca 0.73 1.29 0.06 0.00 0.48 0.00 0.00 55.95 58.51 1s2u s SER 271 Cb -0.27 -1.97 0.47 0.00 0.10 0.00 0.00 66.02 64.35 1s2u s SER 271 CO 0.43 -2.46 1.72 1.62 0.98 0.00 0.00 173.24 175.53 1s2u h VAL 272 N -1.43 1.29 -0.34 5.02 3.04 -2.00 -2.19 116.25 119.63 1s2u h VAL 272 Ca -0.49 -1.40 -0.03 0.00 -1.01 0.00 0.00 66.70 63.77 1s2u h VAL 272 Cb 1.29 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 32.12 1s2u h VAL 272 CO 0.58 0.42 0.07 0.11 -1.01 0.00 0.00 177.57 177.75 1s2u h LYS 273 N 0.25 0.50 -0.05 4.17 1.79 -2.00 0.45 116.57 121.69 1s2u h LYS 273 Ca 0.03 -0.08 -0.07 0.00 -2.18 0.00 0.00 60.65 58.35 1s2u h LYS 273 Cb 0.75 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1s2u h LYS 273 CO 0.06 0.48 -0.30 1.49 -1.08 0.00 0.00 179.45 180.09 1s2u h GLU 274 N 0.50 0.10 -0.30 3.15 4.57 -1.76 -1.66 114.58 119.18 1s2u h GLU 274 Ca 0.12 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 1s2u h GLU 274 Cb 0.21 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1s2u h GLU 274 CO -0.00 0.39 -0.13 0.82 -1.18 0.00 0.00 179.01 178.92 1s2u h ILE 275 N 0.09 1.29 -0.71 2.32 1.08 -0.71 -2.24 117.51 118.63 1s2u h ILE 275 Ca 0.01 -1.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 1s2u h ILE 275 Cb 0.58 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 1s2u h ILE 275 CO 0.04 0.39 0.46 -0.26 -0.69 0.00 0.00 178.15 178.09 1s2u h PHE 276 N 0.38 0.90 -0.42 1.37 0.04 -0.69 -1.31 116.94 117.21 1s2u h PHE 276 Ca 0.07 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 1s2u h PHE 276 Cb 0.64 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 1s2u h PHE 276 CO 0.06 0.58 -0.19 -0.09 -0.60 0.00 0.00 178.31 178.06 1s2u h ARG 277 N 0.96 0.81 0.00 1.51 2.43 -1.21 0.13 114.38 119.02 1s2u h ARG 277 Ca 0.26 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1s2u h ARG 277 Cb -0.09 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1s2u h ARG 277 CO -0.05 0.94 -0.39 -0.07 -1.51 0.00 0.00 179.97 178.88 1s2u h LEU 278 N 0.72 0.00 -0.23 3.80 3.38 -0.72 -1.67 115.31 120.58 1s2u h LEU 278 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1s2u h LEU 278 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1s2u h LEU 278 CO 0.05 0.39 -0.06 0.00 0.09 0.00 0.00 178.44 178.91 1s2u n GLN 279 N -3.83 0.81 -3.44 1.13 6.02 -0.58 -4.90 117.38 112.59 1s2u n GLN 279 Ca -0.01 -0.23 -0.20 0.00 -0.01 0.00 0.00 57.00 56.54 1s2u n GLN 279 Cb 0.45 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.29 1s2u n GLN 279 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s2u n ARG 280 N -0.89 -6.85 -0.15 -1.09 5.12 -0.63 -4.90 116.66 107.26 1s2u n ARG 280 Ca 0.17 0.71 0.09 0.00 -1.93 0.00 0.00 57.85 56.89 1s2u n ARG 280 Cb 0.25 -5.42 0.41 0.00 -1.16 0.00 0.00 32.46 26.54 1s2u n ARG 280 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1s2u h ASP 281 N -2.32 0.55 -0.25 0.55 3.58 -1.00 -2.02 116.42 115.51 1s2u h ASP 281 Ca -0.49 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 56.93 1s2u h ASP 281 Cb 1.32 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 1s2u h ASP 281 CO 0.48 0.34 0.07 -0.78 -2.88 0.00 0.00 179.24 176.46 1s2u h ASP 282 N 0.61 0.45 -0.79 2.28 3.58 -1.91 -1.42 116.42 119.24 1s2u h ASP 282 Ca 0.31 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 1s2u h ASP 282 Cb 0.41 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 1s2u h ASP 282 CO -0.10 0.48 0.43 -0.08 -2.88 0.00 0.00 179.24 177.08 1s2u h GLU 283 N 0.49 1.11 -0.27 0.28 4.22 -1.75 -0.16 114.58 118.51 1s2u h GLU 283 Ca 0.11 -0.13 -0.08 0.00 0.08 0.00 0.00 59.36 59.35 1s2u h GLU 283 Cb 0.22 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1s2u h GLU 283 CO -0.00 0.82 -0.13 1.25 -2.18 0.00 0.00 179.01 178.77 1s2u h LEU 284 N 1.12 0.58 -0.33 1.64 5.85 -1.35 -0.42 115.31 122.40 1s2u h LEU 284 Ca 0.28 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1s2u h LEU 284 Cb 0.03 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1s2u h LEU 284 CO -0.04 0.86 -0.00 0.58 -0.34 0.00 0.00 178.44 179.49 1s2u h VAL 285 N 0.30 0.76 -0.36 1.05 2.07 -0.80 0.39 116.25 119.65 1s2u h VAL 285 Ca 0.06 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1s2u h VAL 285 Cb 0.64 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1s2u h VAL 285 CO 0.04 0.02 0.20 1.56 0.02 0.00 0.00 177.57 179.41 1s2u h GLN 286 N 0.09 0.41 -0.89 1.57 4.20 -0.92 -2.03 115.11 117.54 1s2u h GLN 286 Ca 0.16 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1s2u h GLN 286 Cb 0.22 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 1s2u h GLN 286 CO -0.27 0.27 0.58 0.00 -0.67 0.00 0.00 178.83 178.75 1s2u h ALA 287 N 1.17 1.43 -0.37 3.87 0.00 0.12 -2.00 119.26 123.48 1s2u h ALA 287 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1s2u h ALA 287 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1s2u h ALA 287 CO -0.08 0.48 -0.16 0.93 0.00 0.00 0.00 179.25 180.43 1s2u h GLU 288 N 1.12 0.68 0.00 0.00 5.08 0.32 0.38 114.58 122.16 1s2u h GLU 288 Ca 0.35 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1s2u h GLU 288 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1s2u h GLU 288 CO -0.10 0.81 -0.46 -0.44 -1.00 0.00 0.00 179.01 177.81 1s2u h ASP 289 N 0.61 0.00 0.15 1.42 5.19 -0.83 -0.51 116.42 122.44 1s2u h ASP 289 Ca 0.10 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.17 1s2u h ASP 289 Cb 0.62 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 1s2u h ASP 289 CO 0.04 0.46 -1.76 0.50 -3.12 0.00 0.00 179.24 175.37 1s2u h LYS 290 N 0.00 0.32 -0.12 3.56 3.64 -1.03 -3.40 116.57 119.54 1s2u h LYS 290 Ca -0.00 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1s2u h LYS 290 Cb 0.96 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1s2u h LYS 290 CO 0.06 1.26 0.00 0.66 -2.27 0.00 0.00 179.45 179.16 1s2u n TYR 291 N -3.64 0.12 -4.82 1.91 4.01 0.13 -4.91 117.16 109.95 1s2u n TYR 291 Ca -0.27 -0.06 -0.32 0.00 -0.16 0.00 0.00 57.90 57.09 1s2u n TYR 291 Cb 1.02 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.92 1s2u n TYR 291 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1s2u s LEU 292 N -1.87 2.63 0.00 7.72 1.43 -0.20 -5.02 118.68 123.36 1s2u s LEU 292 Ca 0.31 -0.32 0.24 0.00 -1.03 0.00 0.00 54.13 53.33 1s2u s LEU 292 Cb 0.21 -1.53 1.43 0.00 0.03 0.00 0.00 46.19 46.33 1s2u s LEU 292 CO 0.31 0.30 1.80 -0.81 0.23 0.00 0.00 176.35 178.18