#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnq s THR 10 N 0.00 4.14 0.23 1.47 -4.23 -1.26 -4.85 115.64 111.14 2pnq s THR 10 Ca 0.00 -0.54 -0.15 0.00 -1.18 0.00 0.00 61.69 59.83 2pnq s THR 10 Cb 0.00 -3.52 0.27 0.00 1.34 0.00 0.00 72.50 70.60 2pnq s THR 10 CO 0.00 -0.35 1.58 -0.65 -0.54 0.00 0.00 174.62 174.67 2pnq h PRO 11 N 0.49 -0.04 0.10 3.99 0.11 -2.05 0.43 132.00 135.02 2pnq h PRO 11 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2pnq h PRO 11 Cb 1.25 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 2pnq h PRO 11 CO 0.57 -0.03 -0.32 -1.35 -0.21 0.00 0.00 178.00 176.67 2pnq h PRO 12 N -0.04 -0.51 -0.99 1.05 0.11 -1.99 0.24 132.00 129.88 2pnq h PRO 12 Ca 0.35 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.60 2pnq h PRO 12 Cb 0.59 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.74 2pnq h PRO 12 CO -0.84 -0.34 0.63 0.37 -0.21 0.00 0.00 178.00 177.62 2pnq h GLN 13 N -0.53 0.98 -0.33 1.05 4.15 -1.69 -0.09 115.11 118.66 2pnq h GLN 13 Ca 0.04 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2pnq h GLN 13 Cb 0.57 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2pnq h GLN 13 CO -0.20 0.65 -0.09 0.28 -1.93 0.00 0.00 178.83 177.54 2pnq h VAL 14 N 1.01 1.28 -0.28 2.39 2.07 -0.30 -1.86 116.25 120.57 2pnq h VAL 14 Ca 0.47 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.89 2pnq h VAL 14 Cb 0.41 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 2pnq h VAL 14 CO -0.23 0.37 -0.08 0.78 0.02 0.00 0.00 177.57 178.43 2pnq h ASN 15 N 0.42 -0.29 -0.66 0.57 -0.26 0.89 -1.15 115.58 115.10 2pnq h ASN 15 Ca 0.08 0.09 0.07 0.00 -0.56 0.00 0.00 56.30 55.98 2pnq h ASN 15 Cb 0.59 0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 38.00 2pnq h ASN 15 CO 0.03 -0.11 0.43 0.28 -1.06 0.00 0.00 177.43 177.01 2pnq h SER 16 N -0.02 0.57 -0.29 5.81 0.02 -0.95 -1.35 113.55 117.34 2pnq h SER 16 Ca 0.14 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2pnq h SER 16 Cb 0.22 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2pnq h SER 16 CO -0.30 0.37 -0.04 0.40 -1.14 0.00 0.00 176.83 176.12 2pnq h ILE 17 N 0.64 1.27 -0.32 3.27 2.04 -0.39 -2.45 117.51 121.57 2pnq h ILE 17 Ca 0.29 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.14 2pnq h ILE 17 Cb 0.30 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2pnq h ILE 17 CO -0.09 0.33 0.14 -0.07 0.00 0.00 0.00 178.15 178.46 2pnq h LEU 18 N 0.32 0.18 -0.56 1.44 3.38 -0.20 -0.67 115.31 119.20 2pnq h LEU 18 Ca 0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2pnq h LEU 18 Cb 0.50 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2pnq h LEU 18 CO 0.02 0.14 0.25 0.50 0.09 0.00 0.00 178.44 179.45 2pnq h LYS 19 N 0.29 0.82 -0.24 1.13 3.64 -1.34 -0.86 116.57 120.00 2pnq h LYS 19 Ca 0.14 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2pnq h LYS 19 Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2pnq h LYS 19 CO -0.12 0.68 0.08 0.00 -2.27 0.00 0.00 179.45 177.83 2pnq h ALA 20 N 1.09 1.69 -0.02 5.00 0.00 -0.93 -2.75 119.26 123.34 2pnq h ALA 20 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pnq h ALA 20 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pnq h ALA 20 CO -0.02 0.25 -0.14 0.09 0.00 0.00 0.00 179.25 179.43 2pnq n ASN 21 N -4.42 2.46 -4.73 0.00 3.02 -0.31 -4.93 115.26 106.36 2pnq n ASN 21 Ca 0.01 -1.73 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 2pnq n ASN 21 Cb 0.14 0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 2pnq n ASN 21 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2pnq n GLU 22 N 0.77 2.64 -4.12 3.52 2.13 -0.35 -4.52 120.64 120.71 2pnq n GLU 22 Ca 0.11 0.94 -0.15 0.00 0.66 0.00 0.00 57.16 58.72 2pnq n GLU 22 Cb 0.49 -2.73 -0.13 0.00 0.27 0.00 0.00 31.44 29.35 2pnq n GLU 22 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2pnq s TYR 23 N 0.26 0.60 -0.13 4.31 5.04 0.17 -5.01 117.35 122.59 2pnq s TYR 23 Ca 0.67 -0.30 -0.12 0.00 -2.44 0.00 0.00 57.07 54.88 2pnq s TYR 23 Cb -0.52 -0.37 0.03 0.00 0.35 0.00 0.00 41.96 41.46 2pnq s TYR 23 CO 0.45 -0.04 0.34 -1.54 -1.34 0.00 0.00 175.55 173.42 2pnq s SER 24 N -0.87 -0.36 -0.03 4.32 1.04 -1.26 -1.18 113.70 115.36 2pnq s SER 24 Ca -0.04 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2pnq s SER 24 Cb -0.06 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.78 2pnq s SER 24 CO 0.00 -0.12 -0.00 0.12 0.98 0.00 0.00 173.24 174.22 2pnq s PHE 25 N 0.20 0.30 -0.07 5.02 2.19 0.26 -5.01 117.98 120.88 2pnq s PHE 25 Ca -0.00 -0.00 0.04 0.00 0.33 0.00 0.00 56.93 57.29 2pnq s PHE 25 Cb -0.03 -0.39 -0.02 0.00 -1.31 0.00 0.00 43.02 41.28 2pnq s PHE 25 CO 0.00 -0.12 -0.18 0.15 1.83 0.00 0.00 175.22 176.90 2pnq s LYS 26 N 0.93 2.73 0.09 10.12 -0.14 -1.26 -0.74 119.74 131.47 2pnq s LYS 26 Ca -0.09 -0.77 -0.30 0.00 -1.36 0.00 0.00 55.97 53.44 2pnq s LYS 26 Cb -0.13 -2.36 -0.06 0.00 -1.68 0.00 0.00 37.83 33.61 2pnq s LYS 26 CO -0.02 0.44 1.11 0.14 -0.76 0.00 0.00 175.35 176.26 2pnq s VAL 27 N -0.27 4.17 -0.75 3.17 -7.23 0.34 -4.88 120.40 114.95 2pnq s VAL 27 Ca 0.01 1.67 -0.24 0.00 -1.81 0.00 0.00 61.98 61.60 2pnq s VAL 27 Cb -0.13 -4.07 -0.16 0.00 0.56 0.00 0.00 36.38 32.58 2pnq s VAL 27 CO 0.03 0.19 2.43 -2.65 -0.31 0.00 0.00 175.10 174.79 2pnq n PRO 28 N 3.31 0.55 -1.80 4.82 -0.02 -1.26 -4.85 135.00 135.75 2pnq n PRO 28 Ca 0.06 -0.26 -0.37 0.00 -2.02 0.00 0.00 63.50 60.91 2pnq n PRO 28 Cb 0.47 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 2pnq n PRO 28 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2pnq s GLU 29 N 8.42 2.35 0.06 -0.52 2.56 -1.26 -4.90 118.70 125.41 2pnq s GLU 29 Ca 1.09 0.99 0.07 0.00 0.00 0.00 0.00 54.97 57.12 2pnq s GLU 29 Cb -0.47 -4.50 -0.03 0.00 2.00 0.00 0.00 34.13 31.14 2pnq s GLU 29 CO 0.30 -3.04 -0.19 -0.59 -0.56 0.00 0.00 175.26 171.18 2pnq s PHE 30 N 10.73 1.68 0.40 5.30 -0.12 -1.26 -4.99 117.98 129.71 2pnq s PHE 30 Ca 0.83 -0.39 0.07 0.00 -0.05 0.00 0.00 56.93 57.39 2pnq s PHE 30 Cb -0.15 -0.97 0.82 0.00 -0.63 0.00 0.00 43.02 42.09 2pnq s PHE 30 CO 0.23 0.11 2.00 0.22 -0.05 0.00 0.00 175.22 177.73 2pnq h ASP 31 N 4.65 0.41 -0.65 1.98 -0.00 -2.00 -3.35 116.42 117.46 2pnq h ASP 31 Ca -0.43 -0.03 -0.49 0.00 -0.00 0.00 0.00 57.03 56.08 2pnq h ASP 31 Cb 1.17 -0.11 0.05 0.00 -0.00 0.00 0.00 39.33 40.44 2pnq h ASP 31 CO 0.43 0.38 -0.08 0.61 -0.00 0.00 0.00 179.24 180.57 2pnq n GLY 32 N -1.26 -0.49 3.55 -0.78 0.00 -1.26 -4.24 105.19 100.72 2pnq n GLY 32 Ca 0.02 0.41 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 2pnq n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnq s LYS 33 N -0.21 2.19 0.06 1.61 1.02 -1.26 -4.91 119.74 118.24 2pnq s LYS 33 Ca 0.54 0.64 0.01 0.00 0.02 0.00 0.00 55.97 57.18 2pnq s LYS 33 Cb -0.76 -4.68 -0.04 0.00 -0.52 0.00 0.00 37.83 31.83 2pnq s LYS 33 CO 0.37 -3.46 0.14 -0.80 -0.92 0.00 0.00 175.35 170.68 2pnq s ASN 34 N 10.02 5.93 0.00 2.83 0.02 -1.26 -5.04 114.94 127.45 2pnq s ASN 34 Ca 0.83 0.14 0.22 0.00 -1.02 0.00 0.00 52.86 53.03 2pnq s ASN 34 Cb -0.13 -1.72 -0.10 0.00 0.02 0.00 0.00 41.25 39.32 2pnq s ASN 34 CO 0.15 0.18 0.99 0.55 0.02 0.00 0.00 177.10 179.00 2pnq n VAL 35 N 0.47 0.00 -1.66 1.60 3.14 -1.26 -5.01 118.33 115.61 2pnq n VAL 35 Ca -0.08 -0.05 -0.55 0.00 -2.96 0.00 0.00 64.34 60.70 2pnq n VAL 35 Cb 0.51 0.98 -0.07 0.00 -1.06 0.00 0.00 33.84 34.20 2pnq n VAL 35 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2pnq n SER 36 N -1.19 2.54 -0.14 6.55 2.88 -1.26 -4.79 113.62 118.21 2pnq n SER 36 Ca 0.05 0.95 0.15 0.00 -1.33 0.00 0.00 58.87 58.69 2pnq n SER 36 Cb 0.36 -1.20 0.76 0.00 -0.75 0.00 0.00 64.21 63.38 2pnq n SER 36 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2pnq n SER 37 N 6.35 0.45 -4.44 -3.46 3.41 -1.26 -4.76 113.62 109.91 2pnq n SER 37 Ca 0.29 -0.96 -0.33 0.00 -0.26 0.00 0.00 58.87 57.60 2pnq n SER 37 Cb 0.17 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 2pnq n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pnq s ILE 38 N -2.15 3.50 0.06 -1.33 1.01 -1.26 -0.82 121.20 120.21 2pnq s ILE 38 Ca 0.40 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 2pnq s ILE 38 Cb 0.21 -2.50 -0.29 0.00 0.01 0.00 0.00 42.46 39.89 2pnq s ILE 38 CO 0.39 0.51 1.09 0.25 0.00 0.00 0.00 174.94 177.19 2pnq h LEU 39 N 6.63 0.45 0.00 2.97 6.46 0.09 -3.43 115.31 128.48 2pnq h LEU 39 Ca -0.29 -0.50 0.00 0.00 -0.12 0.00 0.00 57.88 56.97 2pnq h LEU 39 Cb 1.20 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2pnq h LEU 39 CO 0.59 1.39 0.00 0.61 -0.62 0.00 0.00 178.44 180.41 2pnq n GLY 40 N 1.56 -2.21 3.15 3.75 0.00 -1.15 -0.50 105.19 109.79 2pnq n GLY 40 Ca -0.10 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 2pnq n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnq s PHE 41 N -1.88 0.18 0.15 1.61 -0.71 0.08 -0.89 117.98 116.52 2pnq s PHE 41 Ca 0.00 -0.51 0.11 0.00 -1.04 0.00 0.00 56.93 55.49 2pnq s PHE 41 Cb 0.00 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2pnq s PHE 41 CO 0.00 -0.42 -0.25 -0.51 -1.34 0.00 0.00 175.22 172.70 2pnq s ASP 42 N -2.32 3.22 -0.03 1.98 1.01 -0.20 -0.57 116.67 119.76 2pnq s ASP 42 Ca -0.02 -0.78 -0.21 0.00 0.71 0.00 0.00 52.55 52.25 2pnq s ASP 42 Cb 0.01 -0.22 0.04 0.00 1.01 0.00 0.00 42.92 43.76 2pnq s ASP 42 CO -0.06 0.14 0.45 -0.94 0.21 0.00 0.00 175.17 174.96 2pnq s SER 43 N -2.25 -0.37 0.23 0.27 1.04 -0.32 -0.31 113.70 111.99 2pnq s SER 43 Ca 0.15 0.33 -0.17 0.00 0.48 0.00 0.00 55.95 56.75 2pnq s SER 43 Cb -0.09 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2pnq s SER 43 CO 0.07 -0.50 0.55 0.21 0.98 0.00 0.00 173.24 174.55 2pnq s ASN 44 N -1.25 -0.21 -0.09 7.02 3.84 -0.78 -0.66 114.94 122.82 2pnq s ASN 44 Ca -0.12 -0.65 -0.11 0.00 0.21 0.00 0.00 52.86 52.19 2pnq s ASN 44 Cb -0.03 0.61 0.03 0.00 -0.55 0.00 0.00 41.25 41.31 2pnq s ASN 44 CO 0.06 -1.14 0.29 -0.13 -2.79 0.00 0.00 177.10 173.40 2pnq s ARG 45 N -3.93 0.40 -0.18 0.43 0.52 -1.26 -1.95 118.95 112.98 2pnq s ARG 45 Ca 0.14 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.64 2pnq s ARG 45 Cb -0.02 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.66 2pnq s ARG 45 CO 0.03 -0.07 -0.19 -0.51 0.02 0.00 0.00 175.30 174.58 2pnq s LEU 46 N -0.13 2.16 0.18 2.53 1.43 0.43 -4.70 118.68 120.58 2pnq s LEU 46 Ca -0.03 -0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 52.18 2pnq s LEU 46 Cb -0.03 -1.49 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 2pnq s LEU 46 CO 0.01 0.00 0.79 -2.84 0.23 0.00 0.00 176.35 174.54 2pnq s PRO 47 N 1.29 4.58 -0.00 1.29 0.02 -1.26 -1.29 135.00 139.63 2pnq s PRO 47 Ca 0.05 1.18 0.02 0.00 0.02 0.00 0.00 61.00 62.26 2pnq s PRO 47 Cb -0.13 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 2pnq s PRO 47 CO -0.12 0.55 0.04 0.00 -0.33 0.00 0.00 177.00 177.13 2pnq n ALA 48 N 1.49 2.07 -2.61 -1.55 0.00 -1.26 -4.90 120.51 113.75 2pnq n ALA 48 Ca -0.05 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.08 2pnq n ALA 48 Cb 0.49 -0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 2pnq n ALA 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2pnq s ASN 49 N -2.23 4.48 0.00 0.00 -0.87 -1.26 -4.92 114.94 110.14 2pnq s ASN 49 Ca -0.01 -0.51 0.00 0.00 -1.57 0.00 0.00 52.86 50.77 2pnq s ASN 49 Cb 0.01 -0.85 0.00 0.00 -0.02 0.00 0.00 41.25 40.40 2pnq s ASN 49 CO 0.08 0.09 0.00 0.00 -2.57 0.00 0.00 177.10 174.70 2pnq n ALA 50 N -0.07 0.00 -2.38 0.60 0.00 -1.26 -2.90 120.51 114.50 2pnq n ALA 50 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2pnq n ALA 50 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2pnq n ALA 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2pnq s PRO 51 N 0.00 4.32 0.46 0.00 0.02 -1.26 -4.90 135.00 133.64 2pnq s PRO 51 Ca 0.00 1.77 -0.21 0.00 0.02 0.00 0.00 61.00 62.58 2pnq s PRO 51 Cb 0.00 -3.58 -0.12 0.00 0.02 0.00 0.00 34.50 30.82 2pnq s PRO 51 CO 0.00 -0.51 0.48 1.51 -0.33 0.00 0.00 177.00 178.15 2pnq n ILE 52 N 4.68 1.71 0.79 2.83 3.06 -1.14 -4.81 119.36 126.48 2pnq n ILE 52 Ca 0.12 -0.50 0.09 0.00 -2.50 0.00 0.00 62.75 59.96 2pnq n ILE 52 Cb 0.45 -0.52 -0.12 0.00 0.54 0.00 0.00 39.64 39.99 2pnq n ILE 52 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2pnq n GLU 53 N 0.54 0.57 -3.02 9.51 1.02 -1.26 -4.73 120.64 123.27 2pnq n GLU 53 Ca 0.11 -0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.84 2pnq n GLU 53 Cb 0.42 -1.43 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 2pnq n GLU 53 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pnq s ASP 54 N -3.05 7.29 0.15 1.62 1.11 -1.26 -0.69 116.67 121.84 2pnq s ASP 54 Ca 0.05 1.58 0.05 0.00 0.18 0.00 0.00 52.55 54.41 2pnq s ASP 54 Cb 0.14 -2.48 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 2pnq s ASP 54 CO 0.81 0.16 -0.12 -0.13 1.18 0.00 0.00 175.17 177.07 2pnq s ARG 55 N -1.37 1.09 -0.01 8.23 3.00 0.18 -4.93 118.95 125.14 2pnq s ARG 55 Ca 0.37 -1.42 0.01 0.00 0.00 0.00 0.00 55.73 54.69 2pnq s ARG 55 Cb -0.21 -0.76 0.00 0.00 0.00 0.00 0.00 34.95 33.98 2pnq s ARG 55 CO 0.24 0.11 -0.02 -0.98 0.00 0.00 0.00 175.30 174.65 2pnq s ARG 56 N -3.47 0.26 0.02 3.54 1.70 -1.26 -0.24 118.95 119.50 2pnq s ARG 56 Ca 0.16 -0.07 -0.06 0.00 -0.47 0.00 0.00 55.73 55.29 2pnq s ARG 56 Cb 0.00 -0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.08 2pnq s ARG 56 CO 0.02 0.02 0.11 -1.12 -1.08 0.00 0.00 175.30 173.25 2pnq s SER 57 N 0.17 0.11 -0.13 -2.89 0.01 -0.01 -5.00 113.70 105.97 2pnq s SER 57 Ca -0.01 -0.39 -0.12 0.00 1.31 0.00 0.00 55.95 56.73 2pnq s SER 57 Cb -0.04 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.43 2pnq s SER 57 CO -0.00 -0.44 0.35 0.00 0.41 0.00 0.00 173.24 173.56 2pnq s ALA 58 N -2.02 -0.86 -0.14 1.44 0.00 -1.26 -0.61 121.76 118.30 2pnq s ALA 58 Ca -0.10 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 2pnq s ALA 58 Cb -0.05 -0.57 0.08 0.00 0.00 0.00 0.00 23.12 22.59 2pnq s ALA 58 CO -0.02 -0.17 0.76 0.99 0.00 0.00 0.00 175.76 177.33 2pnq s THR 59 N 0.18 0.00 -0.14 0.00 2.01 0.23 -1.44 115.64 116.49 2pnq s THR 59 Ca -0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 2pnq s THR 59 Cb -0.02 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2pnq s THR 59 CO 0.00 0.00 0.28 0.42 -0.69 0.00 0.00 174.62 174.64 2pnq s THR 60 N -0.64 5.30 -0.08 -0.82 -4.23 -0.85 0.15 115.64 114.46 2pnq s THR 60 Ca -0.06 0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 60.68 2pnq s THR 60 Cb -0.02 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 2pnq s THR 60 CO 0.05 0.44 1.34 0.00 -0.54 0.00 0.00 174.62 175.91 2pnq h LEU 62 N 9.02 0.08 0.00 0.00 3.38 -1.50 -3.31 115.31 122.98 2pnq h LEU 62 Ca -0.33 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 2pnq h LEU 62 Cb 1.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2pnq h LEU 62 CO 0.93 1.04 -1.51 0.00 0.09 0.00 0.00 178.44 178.99 2pnq n GLN 63 N -3.41 0.63 -4.32 1.13 3.00 -1.24 -4.91 117.38 108.26 2pnq n GLN 63 Ca -0.02 0.02 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2pnq n GLN 63 Cb 0.93 -1.70 -0.11 0.00 0.00 0.00 0.00 30.24 29.36 2pnq n GLN 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2pnq s THR 64 N -3.28 2.84 0.12 5.09 2.01 -1.25 -5.06 115.64 116.11 2pnq s THR 64 Ca -0.04 -1.61 -0.20 0.00 0.31 0.00 0.00 61.69 60.14 2pnq s THR 64 Cb 0.11 -2.33 -0.07 0.00 0.01 0.00 0.00 72.50 70.22 2pnq s THR 64 CO 0.84 0.02 1.74 0.03 -0.69 0.00 0.00 174.62 176.57 2pnq h ARG 65 N 3.48 0.12 -6.20 4.92 3.08 -1.91 -3.37 114.38 114.50 2pnq h ARG 65 Ca -0.49 -0.01 -0.44 0.00 0.07 0.00 0.00 59.98 59.11 2pnq h ARG 65 Cb 1.18 -0.03 0.23 0.00 0.08 0.00 0.00 29.97 31.44 2pnq h ARG 65 CO 0.48 0.08 -1.92 0.41 -1.07 0.00 0.00 179.97 177.95 2pnq n GLY 66 N -1.15 -2.71 3.05 0.04 0.00 -1.26 -4.55 105.19 98.61 2pnq n GLY 66 Ca -0.03 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2pnq n GLY 66 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pnq s MET 67 N -2.59 1.18 -0.17 1.61 1.75 -0.11 -0.85 119.30 120.12 2pnq s MET 67 Ca 0.41 -0.42 -0.04 0.00 -1.25 0.00 0.00 55.69 54.40 2pnq s MET 67 Cb 0.02 -1.09 -0.03 0.00 2.84 0.00 0.00 34.83 36.57 2pnq s MET 67 CO 0.61 0.18 -0.02 -0.51 -0.65 0.00 0.00 175.02 174.64 2pnq s LEU 68 N 0.04 3.34 -0.01 4.11 1.02 0.39 -1.59 118.68 125.97 2pnq s LEU 68 Ca -0.01 -0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.05 2pnq s LEU 68 Cb -0.08 -1.82 0.00 0.00 0.02 0.00 0.00 46.19 44.31 2pnq s LEU 68 CO 0.01 0.16 -0.06 -0.76 0.02 0.00 0.00 176.35 175.72 2pnq s LEU 69 N 0.45 1.85 0.12 1.79 1.02 -0.76 0.78 118.68 123.93 2pnq s LEU 69 Ca -0.02 -0.11 -0.25 0.00 0.02 0.00 0.00 54.13 53.77 2pnq s LEU 69 Cb -0.14 -0.33 0.07 0.00 0.02 0.00 0.00 46.19 45.81 2pnq s LEU 69 CO 0.02 0.05 0.62 -0.83 0.02 0.00 0.00 176.35 176.23 2pnq s GLY 70 N 0.09 -0.61 0.05 -3.19 0.00 0.22 -0.06 107.32 103.82 2pnq s GLY 70 Ca -0.01 0.65 0.08 0.00 0.00 0.00 0.00 44.72 45.44 2pnq s GLY 70 CO -0.00 0.31 -0.23 0.14 0.00 0.00 0.00 173.10 173.31 2pnq s VAL 71 N -3.28 1.86 -0.06 1.40 1.01 -0.87 -0.83 120.40 119.64 2pnq s VAL 71 Ca -0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 2pnq s VAL 71 Cb -0.01 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.78 2pnq s VAL 71 CO -0.09 0.23 0.02 -0.36 0.00 0.00 0.00 175.10 174.90 2pnq s PHE 72 N -0.85 0.47 -0.47 5.22 0.40 0.67 -1.81 117.98 121.61 2pnq s PHE 72 Ca 0.09 -0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 56.21 2pnq s PHE 72 Cb -0.09 -0.69 0.05 0.00 0.51 0.00 0.00 43.02 42.80 2pnq s PHE 72 CO 0.02 -0.28 0.52 0.34 0.70 0.00 0.00 175.22 176.52 2pnq s ASP 73 N 1.96 6.20 0.41 1.36 -1.08 -1.23 0.50 116.67 124.79 2pnq s ASP 73 Ca 0.04 -0.95 -0.03 0.00 -0.52 0.00 0.00 52.55 51.09 2pnq s ASP 73 Cb -0.12 -2.25 -0.04 0.00 -1.46 0.00 0.00 42.92 39.06 2pnq s ASP 73 CO -0.04 -0.75 0.67 -0.83 0.52 0.00 0.00 175.17 174.74 2pnq s GLY 74 N 2.43 1.47 0.09 2.66 0.00 0.13 -0.85 107.32 113.26 2pnq s GLY 74 Ca 0.12 -0.67 -0.07 0.00 0.00 0.00 0.00 44.72 44.09 2pnq s GLY 74 CO 0.11 -0.56 0.16 -2.38 0.00 0.00 0.00 173.10 170.43 2pnq s HIS 75 N -2.50 0.28 -1.94 1.90 -3.43 -0.48 -4.66 115.29 104.45 2pnq s HIS 75 Ca 0.44 -0.71 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 2pnq s HIS 75 Cb -0.10 -0.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 2pnq s HIS 75 CO 0.40 -0.54 0.00 0.00 -2.00 0.00 0.00 174.74 172.60 2pnq n ALA 76 N -0.06 -0.46 0.00 -1.38 0.00 -1.26 -2.18 120.51 115.18 2pnq n ALA 76 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2pnq n ALA 76 Cb 0.62 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2pnq n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnq n GLY 77 N -0.76 0.94 0.00 0.00 0.00 -1.26 -4.68 105.19 99.44 2pnq n GLY 77 Ca -0.22 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.69 2pnq n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnq h ALA 79 N 1.84 -0.46 -0.17 0.00 0.00 -1.90 0.27 119.26 118.84 2pnq h ALA 79 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2pnq h ALA 79 Cb 0.42 0.98 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2pnq h ALA 79 CO 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 179.25 178.30 2pnq h SER 81 N 0.04 0.65 -0.14 0.00 4.64 -1.61 0.68 113.55 117.81 2pnq h SER 81 Ca 0.04 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2pnq h SER 81 Cb 0.52 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2pnq h SER 81 CO 0.02 0.50 0.03 -0.61 -0.87 0.00 0.00 176.83 175.89 2pnq h GLN 82 N 0.75 0.22 0.65 4.77 5.75 -0.35 -2.25 115.11 124.65 2pnq h GLN 82 Ca 0.20 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2pnq h GLN 82 Cb -0.04 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2pnq h GLN 82 CO -0.04 0.39 -0.41 0.00 -2.65 0.00 0.00 178.83 176.12 2pnq h ALA 83 N 0.82 -1.04 0.00 3.38 0.00 -0.38 -2.38 119.26 119.65 2pnq h ALA 83 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2pnq h ALA 83 Cb 0.27 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2pnq h ALA 83 CO 0.00 -1.10 -0.06 -0.39 0.00 0.00 0.00 179.25 177.70 2pnq h VAL 84 N -1.01 0.41 -0.84 0.00 -1.51 -0.97 -1.14 116.25 111.19 2pnq h VAL 84 Ca -0.08 -0.30 -0.03 0.00 -1.23 0.00 0.00 66.70 65.07 2pnq h VAL 84 Cb 0.82 1.21 -0.04 0.00 -2.13 0.00 0.00 31.29 31.15 2pnq h VAL 84 CO 0.07 0.06 0.42 -1.28 -1.23 0.00 0.00 177.57 175.61 2pnq h SER 85 N 0.00 1.07 -0.01 4.19 0.87 -0.89 -1.94 113.55 116.84 2pnq h SER 85 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2pnq h SER 85 Cb 0.20 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2pnq h SER 85 CO 0.01 0.89 -0.43 -1.84 -0.53 0.00 0.00 176.83 174.92 2pnq n GLU 86 N -4.32 1.48 -0.06 2.24 0.28 -0.82 -4.63 120.64 114.80 2pnq n GLU 86 Ca 0.08 -0.80 -0.09 0.00 -0.16 0.00 0.00 57.16 56.20 2pnq n GLU 86 Cb 0.12 -1.35 -0.06 0.00 1.43 0.00 0.00 31.44 31.58 2pnq n GLU 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2pnq n ARG 87 N -0.21 0.52 -0.19 3.44 1.74 -0.49 -4.67 116.66 116.79 2pnq n ARG 87 Ca 0.07 0.07 -0.01 0.00 -0.77 0.00 0.00 57.85 57.21 2pnq n ARG 87 Cb 0.38 -1.26 0.09 0.00 -1.02 0.00 0.00 32.46 30.65 2pnq n ARG 87 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2pnq h LEU 88 N 0.00 0.27 -1.64 0.55 5.85 -1.57 -1.63 115.31 117.13 2pnq h LEU 88 Ca -0.29 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2pnq h LEU 88 Cb 1.47 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 2pnq h LEU 88 CO -0.04 0.17 0.17 -0.26 -0.34 0.00 0.00 178.44 178.15 2pnq h PHE 89 N 0.43 0.40 -0.41 1.25 -1.00 -1.84 -0.44 116.94 115.33 2pnq h PHE 89 Ca 0.28 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.93 2pnq h PHE 89 Cb 0.30 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 2pnq h PHE 89 CO -0.15 0.28 -0.25 1.88 -1.61 0.00 0.00 178.31 178.45 2pnq h TYR 90 N 0.42 0.98 -0.07 -0.55 -1.99 -1.58 0.31 116.97 114.49 2pnq h TYR 90 Ca 0.11 -0.24 -0.10 0.00 2.00 0.00 0.00 58.73 60.50 2pnq h TYR 90 Cb 0.00 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.49 2pnq h TYR 90 CO 0.00 1.01 -0.41 1.88 -0.00 0.00 0.00 178.16 180.64 2pnq h TYR 91 N 0.73 0.18 -0.17 4.88 -1.99 -0.97 -0.85 116.97 118.78 2pnq h TYR 91 Ca 0.09 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.64 2pnq h TYR 91 Cb 0.80 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.49 2pnq h TYR 91 CO 0.05 0.55 -0.42 0.82 -0.00 0.00 0.00 178.16 179.16 2pnq h ILE 92 N 0.13 1.34 0.66 -2.88 2.04 -0.78 -2.04 117.51 115.97 2pnq h ILE 92 Ca 0.01 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.18 2pnq h ILE 92 Cb 0.79 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 2pnq h ILE 92 CO 0.06 0.51 -0.45 0.00 0.00 0.00 0.00 178.15 178.28 2pnq h ALA 93 N 0.57 -1.21 -0.87 1.87 0.00 -0.15 -2.39 119.26 117.08 2pnq h ALA 93 Ca -0.00 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.88 2pnq h ALA 93 Cb 1.03 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 19.30 2pnq h ALA 93 CO 0.09 -1.19 0.40 0.28 0.00 0.00 0.00 179.25 178.83 2pnq h VAL 94 N -1.05 0.57 0.00 0.00 2.07 -1.25 -0.10 116.25 116.49 2pnq h VAL 94 Ca -0.09 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2pnq h VAL 94 Cb 0.85 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2pnq h VAL 94 CO 0.06 0.09 -0.06 -1.28 0.02 0.00 0.00 177.57 176.40 2pnq h SER 95 N 0.48 0.00 0.08 0.57 0.87 -1.05 -1.73 113.55 112.78 2pnq h SER 95 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2pnq h SER 95 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2pnq h SER 95 CO -0.46 0.06 -0.43 0.18 -0.53 0.00 0.00 176.83 175.64 2pnq n LEU 96 N -3.73 1.59 -4.74 2.23 4.77 -0.08 -4.89 117.00 112.15 2pnq n LEU 96 Ca -0.02 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.00 2pnq n LEU 96 Cb 0.15 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2pnq n LEU 96 CO 0.28 0.30 0.70 -0.76 -1.33 0.00 0.00 177.39 176.59 2pnq s LEU 97 N -2.52 4.56 0.63 2.23 1.02 -0.65 -5.01 118.68 118.93 2pnq s LEU 97 Ca 0.20 1.96 -0.15 0.00 0.02 0.00 0.00 54.13 56.16 2pnq s LEU 97 Cb 0.18 -3.60 -0.02 0.00 0.02 0.00 0.00 46.19 42.77 2pnq s LEU 97 CO 0.57 -0.03 1.07 -2.84 0.02 0.00 0.00 176.35 175.15 2pnq s PRO 98 N -0.65 3.09 0.26 1.29 0.02 -1.26 -4.83 135.00 132.92 2pnq s PRO 98 Ca 0.45 1.24 -0.02 0.00 0.02 0.00 0.00 61.00 62.68 2pnq s PRO 98 Cb -0.27 -2.00 0.54 0.00 0.02 0.00 0.00 34.50 32.79 2pnq s PRO 98 CO 0.33 -1.00 1.69 1.25 -0.33 0.00 0.00 177.00 178.94 2pnq h HIS 99 N 0.16 0.39 -0.75 6.54 -0.00 -1.96 -1.94 115.15 117.60 2pnq h HIS 99 Ca -0.46 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 59.93 2pnq h HIS 99 Cb 1.23 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.55 2pnq h HIS 99 CO 0.58 -0.06 0.40 0.93 -0.00 0.00 0.00 177.93 179.77 2pnq h GLU 100 N 0.32 1.05 -0.27 5.26 5.08 -1.99 -0.96 114.58 123.07 2pnq h GLU 100 Ca 0.46 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 2pnq h GLU 100 Cb 0.80 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2pnq h GLU 100 CO -0.51 0.79 -0.06 1.15 -1.00 0.00 0.00 179.01 179.38 2pnq h THR 101 N 1.04 1.28 -0.88 1.13 2.02 -1.75 -0.00 112.91 115.75 2pnq h THR 101 Ca 0.26 -1.07 0.19 0.00 0.77 0.00 0.00 66.41 66.55 2pnq h THR 101 Cb 0.05 1.43 -0.11 0.00 -1.74 0.00 0.00 68.15 67.78 2pnq h THR 101 CO -0.04 0.34 0.43 -0.07 0.37 0.00 0.00 175.52 176.55 2pnq h LEU 102 N 0.27 0.45 0.36 2.58 3.38 -1.17 0.18 115.31 121.37 2pnq h LEU 102 Ca 0.07 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2pnq h LEU 102 Cb 0.53 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2pnq h LEU 102 CO 0.03 0.12 -0.20 -0.07 0.09 0.00 0.00 178.44 178.40 2pnq h LEU 103 N 0.53 -0.50 -0.55 1.67 -0.00 -0.55 -0.19 115.31 115.71 2pnq h LEU 103 Ca 0.52 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.42 2pnq h LEU 103 Cb 0.87 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 2pnq h LEU 103 CO -0.44 -0.32 0.00 -1.84 -0.00 0.00 0.00 178.44 175.84 2pnq n GLU 104 N -3.53 0.06 0.04 1.13 0.28 -0.07 0.09 120.64 118.64 2pnq n GLU 104 Ca -0.06 0.53 -0.21 0.00 -0.16 0.00 0.00 57.16 57.26 2pnq n GLU 104 Cb 0.21 -1.68 -0.14 0.00 1.43 0.00 0.00 31.44 31.26 2pnq n GLU 104 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2pnq h ILE 105 N 0.00 0.85 0.01 3.84 2.04 -0.25 -3.09 117.51 120.92 2pnq h ILE 105 Ca 0.00 -2.50 -0.00 0.00 1.00 0.00 0.00 64.86 63.36 2pnq h ILE 105 Cb 0.03 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2pnq h ILE 105 CO 0.00 0.85 -0.00 -0.08 0.00 0.00 0.00 178.15 178.92 2pnq h GLU 106 N 0.09 -0.01 0.00 2.37 4.57 0.65 -2.65 114.58 119.60 2pnq h GLU 106 Ca -0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2pnq h GLU 106 Cb 2.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.66 2pnq h GLU 106 CO 0.14 0.54 0.00 0.09 -1.18 0.00 0.00 179.01 178.60 2pnq n ASN 107 N -4.83 0.00 -0.01 1.04 3.02 0.11 -0.75 115.26 113.85 2pnq n ASN 107 Ca -0.09 -0.55 0.09 0.00 -0.03 0.00 0.00 54.58 54.00 2pnq n ASN 107 Cb 0.28 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.31 2pnq n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pnq n ALA 108 N -0.62 2.84 0.05 5.41 0.00 -1.00 -4.43 120.51 122.76 2pnq n ALA 108 Ca 0.02 -0.43 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 2pnq n ALA 108 Cb 0.01 -0.61 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 2pnq n ALA 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2pnq h VAL 109 N 0.00 1.41 0.00 0.00 2.07 -0.89 -3.38 116.25 115.46 2pnq h VAL 109 Ca 0.00 -2.37 -0.19 0.00 0.82 0.00 0.00 66.70 64.96 2pnq h VAL 109 Cb 0.76 2.86 -0.14 0.00 -1.52 0.00 0.00 31.29 33.25 2pnq h VAL 109 CO 0.00 0.69 -0.25 1.21 0.02 0.00 0.00 177.57 179.25 2pnq n GLU 110 N -4.04 1.04 -3.79 1.57 2.13 -1.23 -5.16 120.64 111.15 2pnq n GLU 110 Ca -0.13 -1.51 -0.14 0.00 0.66 0.00 0.00 57.16 56.04 2pnq n GLU 110 Cb 0.83 0.03 -0.15 0.00 0.27 0.00 0.00 31.44 32.42 2pnq n GLU 110 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2pnq s LEU 115 N -3.09 1.28 0.31 4.31 1.43 -1.26 -5.04 118.68 116.62 2pnq s LEU 115 Ca 0.17 0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.40 2pnq s LEU 115 Cb 0.34 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.47 2pnq s LEU 115 CO -0.08 -0.10 -0.08 -1.48 0.23 0.00 0.00 176.35 174.83 2pnq s LEU 116 N 0.83 2.82 -0.22 1.79 2.34 -1.26 -5.11 118.68 119.86 2pnq s LEU 116 Ca -0.07 -1.02 -0.29 0.00 0.06 0.00 0.00 54.13 52.81 2pnq s LEU 116 Cb -0.10 -1.22 -0.01 0.00 -0.56 0.00 0.00 46.19 44.30 2pnq s LEU 116 CO -0.02 -0.11 1.27 -2.84 -1.06 0.00 0.00 176.35 173.59 2pnq s PRO 117 N -3.62 4.11 -0.22 1.48 0.02 -1.26 -4.95 135.00 130.56 2pnq s PRO 117 Ca 0.32 1.50 -0.10 0.00 0.02 0.00 0.00 61.00 62.74 2pnq s PRO 117 Cb -0.02 -3.81 -0.10 0.00 0.02 0.00 0.00 34.50 30.60 2pnq s PRO 117 CO 0.17 -0.87 -0.27 -0.89 -0.33 0.00 0.00 177.00 174.81 2pnq n ILE 118 N 5.70 1.19 -4.11 2.83 -0.00 -1.26 -4.44 119.36 119.27 2pnq n ILE 118 Ca 0.14 -0.31 -0.14 0.00 -0.00 0.00 0.00 62.75 62.44 2pnq n ILE 118 Cb 0.46 -1.76 -0.11 0.00 -0.00 0.00 0.00 39.64 38.23 2pnq n ILE 118 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 2pnq s LEU 119 N -7.11 2.31 -0.25 1.39 1.43 -1.26 -1.31 118.68 113.89 2pnq s LEU 119 Ca -0.30 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 2pnq s LEU 119 Cb 0.11 -0.24 0.05 0.00 0.03 0.00 0.00 46.19 46.15 2pnq s LEU 119 CO 0.39 -0.22 -0.11 -1.58 0.23 0.00 0.00 176.35 175.06 2pnq s GLN 120 N -2.07 2.24 0.43 1.70 0.74 -0.81 -4.88 119.66 117.02 2pnq s GLN 120 Ca -0.03 -1.23 -0.21 0.00 0.05 0.00 0.00 55.36 53.94 2pnq s GLN 120 Cb -0.07 -2.80 -0.11 0.00 1.10 0.00 0.00 33.01 31.13 2pnq s GLN 120 CO 0.00 -0.53 0.95 -1.58 -0.55 0.00 0.00 175.29 173.59 2pnq s TRP 121 N 1.17 3.30 -0.71 1.67 0.52 -1.26 -2.01 118.94 121.61 2pnq s TRP 121 Ca -0.07 1.61 0.05 0.00 0.02 0.00 0.00 56.10 57.71 2pnq s TRP 121 Cb -0.19 -2.86 0.18 0.00 -1.15 0.00 0.00 33.47 29.46 2pnq s TRP 121 CO -0.06 -0.14 0.54 0.72 0.02 0.00 0.00 176.95 178.03 2pnq n HIS 122 N -0.66 3.35 -4.81 -1.98 8.25 -0.52 -4.96 115.22 113.88 2pnq n HIS 122 Ca 0.07 -4.29 -0.33 0.00 -0.26 0.00 0.00 57.72 52.91 2pnq n HIS 122 Cb 0.54 -0.64 -0.13 0.00 1.12 0.00 0.00 29.99 30.88 2pnq n HIS 122 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2pnq s LYS 123 N -1.60 2.88 0.48 -0.41 2.20 -1.26 -4.26 119.74 117.77 2pnq s LYS 123 Ca 0.27 -0.67 -0.24 0.00 -0.36 0.00 0.00 55.97 54.97 2pnq s LYS 123 Cb -0.02 -2.50 -0.07 0.00 -1.51 0.00 0.00 37.83 33.73 2pnq s LYS 123 CO -0.15 0.47 1.35 -1.58 -0.36 0.00 0.00 175.35 175.08 2pnq s HIS 124 N -0.32 2.49 0.66 4.03 5.65 -1.26 -4.86 115.29 121.69 2pnq s HIS 124 Ca 0.03 1.36 0.35 0.00 0.25 0.00 0.00 55.06 57.05 2pnq s HIS 124 Cb -0.13 -3.78 1.93 0.00 -1.18 0.00 0.00 32.58 29.42 2pnq s HIS 124 CO 0.03 -2.63 2.10 -1.35 -0.65 0.00 0.00 174.74 172.23 2pnq h PRO 125 N 2.02 0.00 -0.07 2.88 0.11 -1.95 -2.13 132.00 132.86 2pnq h PRO 125 Ca -0.50 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.36 2pnq h PRO 125 Cb 1.27 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.40 2pnq h PRO 125 CO 0.60 0.00 -0.93 -0.91 -0.21 0.00 0.00 178.00 176.54 2pnq h ASN 126 N 0.00 0.93 -4.27 -2.05 2.35 -1.91 -3.45 115.58 107.17 2pnq h ASN 126 Ca 0.01 -0.68 -0.51 0.00 -0.55 0.00 0.00 56.30 54.57 2pnq h ASN 126 Cb 0.42 -0.28 0.09 0.00 0.05 0.00 0.00 38.32 38.60 2pnq h ASN 126 CO -0.00 1.49 0.36 -1.81 -1.65 0.00 0.00 177.43 175.82 2pnq s ASP 127 N -7.21 5.36 0.34 5.81 1.01 -0.80 -5.06 116.67 116.11 2pnq s ASP 127 Ca -0.10 1.76 0.05 0.00 0.71 0.00 0.00 52.55 54.97 2pnq s ASP 127 Cb 0.08 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 2pnq s ASP 127 CO 0.92 -1.46 0.35 -0.72 0.21 0.00 0.00 175.17 174.47 2pnq s TYR 128 N -2.73 1.58 0.03 4.23 -0.85 -1.26 -4.84 117.35 113.51 2pnq s TYR 128 Ca 0.62 -1.58 0.08 0.00 -0.52 0.00 0.00 57.07 55.67 2pnq s TYR 128 Cb -0.16 -0.53 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 2pnq s TYR 128 CO 0.47 -0.97 -0.22 -0.06 -1.52 0.00 0.00 175.55 173.25 2pnq s PHE 129 N -3.25 2.46 0.38 -3.49 0.08 -1.26 -4.94 117.98 107.95 2pnq s PHE 129 Ca 0.38 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 56.83 2pnq s PHE 129 Cb 0.01 -1.45 -0.11 0.00 -0.57 0.00 0.00 43.02 40.91 2pnq s PHE 129 CO 0.26 0.19 1.46 0.45 -0.10 0.00 0.00 175.22 177.48 2pnq n SER 130 N 1.72 3.63 0.00 1.36 2.88 -1.26 -4.97 113.62 116.98 2pnq n SER 130 Ca -0.16 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2pnq n SER 130 Cb 0.52 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2pnq n SER 130 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2pnq n LYS 131 N 0.42 0.00 0.00 -1.46 4.01 -1.26 -4.25 118.16 115.62 2pnq n LYS 131 Ca 0.02 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.94 2pnq n LYS 131 Cb 0.39 -0.68 0.68 0.00 -0.51 0.00 0.00 35.03 34.91 2pnq n LYS 131 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2pnq n GLU 132 N -0.46 0.65 0.00 1.97 1.02 -1.26 -3.58 120.64 118.98 2pnq n GLU 132 Ca 0.00 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 2pnq n GLU 132 Cb 0.00 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.13 2pnq n GLU 132 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pnq n ALA 133 N -1.07 2.85 -0.35 0.62 0.00 -1.26 -4.41 120.51 116.89 2pnq n ALA 133 Ca 0.16 -0.58 0.05 0.00 0.00 0.00 0.00 53.44 53.07 2pnq n ALA 133 Cb 0.11 -0.93 0.21 0.00 0.00 0.00 0.00 19.45 18.84 2pnq n ALA 133 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pnq h SER 134 N 3.12 0.91 0.56 0.00 0.87 -1.75 0.53 113.55 117.80 2pnq h SER 134 Ca 0.00 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2pnq h SER 134 Cb 0.76 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2pnq h SER 134 CO 0.00 0.51 -0.27 0.11 -0.53 0.00 0.00 176.83 176.65 2pnq h LYS 135 N 1.00 -0.72 0.06 2.24 1.57 -1.89 -1.51 116.57 117.32 2pnq h LYS 135 Ca 0.47 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.31 2pnq h LYS 135 Cb 0.40 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2pnq h LYS 135 CO -0.24 -0.42 -0.18 1.25 -0.57 0.00 0.00 179.45 179.29 2pnq h LEU 136 N -0.95 -0.52 -1.07 2.94 5.85 -1.65 -0.98 115.31 118.92 2pnq h LEU 136 Ca -0.08 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2pnq h LEU 136 Cb 0.64 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 2pnq h LEU 136 CO 0.13 -0.25 0.62 1.88 -0.34 0.00 0.00 178.44 180.48 2pnq h TYR 137 N -0.33 1.16 -0.26 1.25 0.05 -0.03 -1.41 116.97 117.41 2pnq h TYR 137 Ca 0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2pnq h TYR 137 Cb 0.37 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2pnq h TYR 137 CO -0.20 0.67 0.17 0.35 -1.05 0.00 0.00 178.16 178.09 2pnq h PHE 138 N 1.20 0.31 -0.54 4.88 3.04 -0.40 -1.19 116.94 124.24 2pnq h PHE 138 Ca 0.38 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.28 2pnq h PHE 138 Cb 0.02 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 2pnq h PHE 138 CO -0.00 0.20 0.11 -0.91 -2.02 0.00 0.00 178.31 175.69 2pnq h ASN 139 N 0.34 0.79 -0.39 0.41 -0.26 -0.81 0.10 115.58 115.76 2pnq h ASN 139 Ca 0.10 -0.15 0.05 0.00 -0.56 0.00 0.00 56.30 55.73 2pnq h ASN 139 Cb -0.03 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 36.98 2pnq h ASN 139 CO -0.03 0.79 0.14 1.23 -1.06 0.00 0.00 177.43 178.50 2pnq h GLY 140 N 0.98 0.50 0.82 2.83 0.00 -0.79 -1.10 103.07 106.32 2pnq h GLY 140 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2pnq h GLY 140 CO 0.00 0.03 -0.06 -2.00 0.00 0.00 0.00 176.54 174.51 2pnq h LEU 141 N 0.30 -0.15 -0.68 3.11 5.85 -0.53 -2.72 115.31 120.49 2pnq h LEU 141 Ca 0.18 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.89 2pnq h LEU 141 Cb 0.16 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.10 2pnq h LEU 141 CO -0.19 0.06 -0.15 -0.09 -0.34 0.00 0.00 178.44 177.73 2pnq h ARG 142 N -0.35 0.01 -0.66 1.25 2.43 -0.47 0.55 114.38 117.14 2pnq h ARG 142 Ca -0.02 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2pnq h ARG 142 Cb 0.28 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2pnq h ARG 142 CO 0.03 0.01 0.43 1.15 -1.51 0.00 0.00 179.97 180.08 2pnq h THR 143 N 0.01 1.05 0.08 0.20 2.02 -1.11 -0.27 112.91 114.90 2pnq h THR 143 Ca 0.33 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2pnq h THR 143 Cb 0.51 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2pnq h THR 143 CO -0.69 0.13 -0.04 0.22 0.37 0.00 0.00 175.52 175.51 2pnq h TYR 144 N 0.73 -0.10 0.00 3.16 -0.00 0.37 -2.13 116.97 118.99 2pnq h TYR 144 Ca 0.27 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.96 2pnq h TYR 144 Cb 0.16 0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 2pnq h TYR 144 CO -0.00 0.18 -0.20 0.11 -0.00 0.00 0.00 178.16 178.26 2pnq h TRP 145 N -0.38 0.00 -0.61 -3.82 0.09 -0.64 -1.59 115.95 109.00 2pnq h TRP 145 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 58.89 58.88 2pnq h TRP 145 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.54 2pnq h TRP 145 CO 0.02 0.20 0.05 1.96 0.09 0.00 0.00 178.44 180.75 2pnq h GLN 146 N 0.00 1.04 -0.73 0.12 4.20 -0.87 0.13 115.11 119.00 2pnq h GLN 146 Ca -0.00 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 2pnq h GLN 146 Cb 0.47 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2pnq h GLN 146 CO 0.03 0.99 0.26 0.93 -0.67 0.00 0.00 178.83 180.37 2pnq h GLU 147 N 0.96 1.10 -0.26 1.46 3.07 -0.63 0.14 114.58 120.42 2pnq h GLU 147 Ca 0.18 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 2pnq h GLU 147 Cb 0.49 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2pnq h GLU 147 CO 0.02 0.91 -0.27 -0.07 -1.40 0.00 0.00 179.01 178.20 2pnq h LEU 148 N 1.07 0.51 -0.98 1.33 4.07 -0.93 -1.87 115.31 118.52 2pnq h LEU 148 Ca 0.24 -0.18 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 2pnq h LEU 148 Cb 0.24 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 2pnq h LEU 148 CO -0.02 0.77 -0.44 0.40 -1.08 0.00 0.00 178.44 178.07 2pnq h ILE 149 N 0.44 1.12 -0.30 1.22 2.04 -0.16 -3.07 117.51 118.80 2pnq h ILE 149 Ca 0.06 -1.64 0.07 0.00 1.00 0.00 0.00 64.86 64.35 2pnq h ILE 149 Cb 0.70 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 2pnq h ILE 149 CO 0.05 0.44 -0.14 0.44 0.00 0.00 0.00 178.15 178.94 2pnq h ASP 150 N 0.00 -0.47 0.00 1.72 3.45 0.12 -3.51 116.42 117.73 2pnq h ASP 150 Ca -0.00 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2pnq h ASP 150 Cb 0.90 0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 2pnq h ASP 150 CO 0.06 -0.17 0.00 0.00 -1.57 0.00 0.00 179.24 177.56 2pnq n LEU 151 N -5.31 0.00 0.00 1.55 -0.00 -1.16 -5.11 117.00 106.96 2pnq n LEU 151 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2pnq n LEU 151 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 2pnq n LEU 151 CO 0.17 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.89 2pnq n ASP 158 N 0.00 0.00 -4.27 1.45 -0.08 -1.26 -5.09 116.55 107.30 2pnq n ASP 158 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 2pnq n ASP 158 Cb 0.00 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 2pnq n ASP 158 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2pnq s ILE 159 N 0.00 2.23 -0.46 5.18 1.01 -1.26 -5.10 121.20 122.80 2pnq s ILE 159 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 2pnq s ILE 159 Cb 0.00 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.66 2pnq s ILE 159 CO 0.00 0.56 0.62 -0.62 0.00 0.00 0.00 174.94 175.50 2pnq s ASP 160 N 0.11 6.28 0.23 3.58 3.68 -1.26 -4.98 116.67 124.31 2pnq s ASP 160 Ca -0.11 -0.55 -0.06 0.00 2.13 0.00 0.00 52.55 53.96 2pnq s ASP 160 Cb -0.16 -2.30 0.38 0.00 -1.45 0.00 0.00 42.92 39.39 2pnq s ASP 160 CO 0.06 -0.81 1.76 0.58 0.13 0.00 0.00 175.17 176.89 2pnq h VAL 161 N 5.86 0.76 0.00 1.11 2.07 -1.98 -0.18 116.25 123.89 2pnq h VAL 161 Ca -0.26 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.09 2pnq h VAL 161 Cb 1.10 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2pnq h VAL 161 CO 0.91 0.10 -0.07 0.50 0.02 0.00 0.00 177.57 179.02 2pnq h LYS 162 N 0.52 -0.13 -0.06 1.57 3.64 -2.00 -1.28 116.57 118.84 2pnq h LYS 162 Ca 0.37 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.68 2pnq h LYS 162 Cb 0.48 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2pnq h LYS 162 CO -0.33 -0.08 -0.34 0.93 -2.27 0.00 0.00 179.45 177.36 2pnq h GLU 163 N -0.13 0.12 -0.44 1.90 3.07 -1.85 -2.48 114.58 114.76 2pnq h GLU 163 Ca 0.03 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2pnq h GLU 163 Cb 0.17 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2pnq h GLU 163 CO -0.08 0.45 -0.06 0.00 -1.40 0.00 0.00 179.01 177.92 2pnq h ALA 164 N 1.55 1.07 -0.00 3.43 0.00 -0.46 -1.77 119.26 123.07 2pnq h ALA 164 Ca 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2pnq h ALA 164 Cb 0.66 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2pnq h ALA 164 CO 0.05 0.58 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 2pnq h LEU 165 N 0.70 0.01 -0.62 0.00 3.38 -0.89 0.84 115.31 118.73 2pnq h LEU 165 Ca 0.13 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2pnq h LEU 165 Cb 0.51 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2pnq h LEU 165 CO 0.03 0.31 0.36 0.40 0.09 0.00 0.00 178.44 179.62 2pnq h ILE 166 N -0.29 1.02 -0.31 1.22 2.04 -1.39 0.66 117.51 120.46 2pnq h ILE 166 Ca 0.00 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 2pnq h ILE 166 Cb 0.30 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2pnq h ILE 166 CO 0.00 0.13 -0.04 0.78 0.00 0.00 0.00 178.15 179.02 2pnq h ASN 167 N 0.69 0.56 -0.39 1.72 2.35 -1.27 -1.19 115.58 118.05 2pnq h ASN 167 Ca 0.26 -0.34 0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2pnq h ASN 167 Cb 0.09 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2pnq h ASN 167 CO -0.14 0.77 0.18 0.00 -1.65 0.00 0.00 177.43 176.60 2pnq h ALA 168 N 0.82 0.48 0.24 -0.83 0.00 -0.44 0.16 119.26 119.68 2pnq h ALA 168 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2pnq h ALA 168 Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2pnq h ALA 168 CO 0.02 -0.18 -0.13 0.74 0.00 0.00 0.00 179.25 179.70 2pnq h PHE 169 N 0.38 -0.33 -0.08 0.00 0.05 -0.78 -2.61 116.94 113.56 2pnq h PHE 169 Ca 0.17 -0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.90 2pnq h PHE 169 Cb 0.08 0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.14 2pnq h PHE 169 CO -0.11 -0.21 -0.20 0.87 -0.18 0.00 0.00 178.31 178.49 2pnq h LYS 170 N -0.34 0.13 0.15 1.51 1.57 -1.02 -2.41 116.57 116.16 2pnq h LYS 170 Ca -0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2pnq h LYS 170 Cb 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2pnq h LYS 170 CO 0.04 0.33 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.09 2pnq h ARG 171 N 0.12 -0.20 -0.87 3.15 1.12 -0.50 -1.81 114.38 115.38 2pnq h ARG 171 Ca 0.02 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 2pnq h ARG 171 Cb 0.43 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.39 2pnq h ARG 171 CO 0.03 0.03 0.46 1.25 -3.11 0.00 0.00 179.97 178.63 2pnq h LEU 172 N -0.42 1.11 -0.56 3.80 5.85 -1.29 0.26 115.31 124.06 2pnq h LEU 172 Ca -0.02 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2pnq h LEU 172 Cb 0.33 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2pnq h LEU 172 CO 0.03 0.90 0.22 -0.78 -0.34 0.00 0.00 178.44 178.47 2pnq h ASP 173 N 1.23 0.77 0.36 1.25 -0.00 -1.39 -0.46 116.42 118.19 2pnq h ASP 173 Ca 0.31 -0.17 -0.12 0.00 -0.00 0.00 0.00 57.03 57.04 2pnq h ASP 173 Cb 0.05 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.17 2pnq h ASP 173 CO -0.05 0.74 -0.49 -1.13 -0.00 0.00 0.00 179.24 178.31 2pnq h ASN 174 N 0.76 0.16 0.15 2.28 -0.73 -0.71 -1.99 115.58 115.49 2pnq h ASN 174 Ca 0.18 -0.08 -0.13 0.00 1.87 0.00 0.00 56.30 58.15 2pnq h ASN 174 Cb 0.21 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2pnq h ASN 174 CO -0.01 0.63 -0.45 0.44 -0.37 0.00 0.00 177.43 177.67 2pnq h ASP 175 N 0.12 0.40 -0.43 1.15 3.32 -0.11 -2.70 116.42 118.16 2pnq h ASP 175 Ca 0.00 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 2pnq h ASP 175 Cb 0.92 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 2pnq h ASP 175 CO 0.07 0.80 -0.09 0.40 -1.72 0.00 0.00 179.24 178.70 2pnq h ILE 176 N 0.30 1.26 0.13 0.35 2.04 -0.81 -1.49 117.51 119.30 2pnq h ILE 176 Ca 0.02 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2pnq h ILE 176 Cb 0.92 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2pnq h ILE 176 CO 0.08 0.42 -0.06 -1.28 0.00 0.00 0.00 178.15 177.30 2pnq h SER 177 N 0.80 -0.15 1.83 1.72 0.87 -1.16 -2.65 113.55 114.82 2pnq h SER 177 Ca 0.13 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2pnq h SER 177 Cb 0.61 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2pnq h SER 177 CO 0.04 0.09 -0.07 0.17 -0.53 0.00 0.00 176.83 176.53 2pnq h LEU 178 N -0.39 0.00 -1.29 2.23 8.10 -1.53 -2.70 115.31 119.72 2pnq h LEU 178 Ca -0.02 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.90 2pnq h LEU 178 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 2pnq h LEU 178 CO 0.03 0.07 -0.27 -0.33 -4.11 0.00 0.00 178.44 173.83 2pnq h GLU 179 N 0.00 0.13 0.00 0.17 5.08 -1.24 -0.62 114.58 118.10 2pnq h GLU 179 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2pnq h GLU 179 Cb 1.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2pnq h GLU 179 CO 0.01 0.40 -0.10 0.00 -1.00 0.00 0.00 179.01 178.31 2pnq h ALA 180 N 1.61 0.98 0.00 3.43 0.00 -1.16 -2.39 119.26 121.74 2pnq h ALA 180 Ca 0.02 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2pnq h ALA 180 Cb 0.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2pnq h ALA 180 CO 0.04 0.13 -1.13 1.96 0.00 0.00 0.00 179.25 180.25 2pnq h GLN 181 N 0.00 0.00 0.00 0.00 4.20 -0.91 -3.36 115.11 115.04 2pnq h GLN 181 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pnq h GLN 181 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2pnq h GLN 181 CO 0.01 0.50 -1.46 0.28 -0.67 0.00 0.00 178.83 177.49 2pnq n VAL 182 N -3.09 0.00 -1.30 -0.54 0.31 -0.68 -5.08 118.33 107.95 2pnq n VAL 182 Ca -0.06 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2pnq n VAL 182 Cb 0.86 0.44 0.00 0.00 -0.91 0.00 0.00 33.84 34.23 2pnq n VAL 182 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pnq n GLY 183 N 1.44 -0.59 3.87 2.92 0.00 -0.90 -4.88 105.19 107.04 2pnq n GLY 183 Ca -0.01 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2pnq n GLY 183 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pnq s ASP 184 N -2.19 6.63 0.29 1.61 -1.08 -1.26 -4.93 116.67 115.74 2pnq s ASP 184 Ca 0.00 0.77 -0.00 0.00 -0.52 0.00 0.00 52.55 52.80 2pnq s ASP 184 Cb 0.00 -2.17 0.68 0.00 -1.46 0.00 0.00 42.92 39.96 2pnq s ASP 184 CO 0.00 0.20 1.60 -0.65 0.52 0.00 0.00 175.17 176.84 2pnq h PRO 185 N 3.86 0.07 -6.46 4.34 0.11 -1.95 -2.65 132.00 129.32 2pnq h PRO 185 Ca -0.50 -0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.00 2pnq h PRO 185 Cb 1.20 -0.02 0.06 0.00 0.11 0.00 0.00 31.00 32.35 2pnq h PRO 185 CO 0.66 0.05 0.66 0.09 -0.21 0.00 0.00 178.00 179.24 2pnq n ASN 186 N -5.40 2.62 0.07 -2.05 5.03 -1.26 -4.75 115.26 109.52 2pnq n ASN 186 Ca 0.21 1.11 0.04 0.00 0.87 0.00 0.00 54.58 56.81 2pnq n ASN 186 Cb 0.68 -1.36 0.46 0.00 -1.02 0.00 0.00 39.78 38.54 2pnq n ASN 186 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2pnq h SER 187 N 5.17 0.35 0.57 6.41 0.02 -2.01 -1.23 113.55 122.82 2pnq h SER 187 Ca -0.45 -0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.23 2pnq h SER 187 Cb 1.28 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2pnq h SER 187 CO 0.83 0.28 -1.12 -0.26 -1.14 0.00 0.00 176.83 175.42 2pnq h PHE 188 N 0.40 0.48 -0.51 3.45 -1.00 -1.87 -1.70 116.94 116.20 2pnq h PHE 188 Ca 0.11 -0.32 -0.06 0.00 2.81 0.00 0.00 57.97 60.51 2pnq h PHE 188 Cb 0.01 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 2pnq h PHE 188 CO 0.00 1.21 0.09 -0.07 -1.61 0.00 0.00 178.31 177.93 2pnq h LEU 189 N 0.11 0.75 -0.18 1.54 3.38 -1.71 -0.07 115.31 119.14 2pnq h LEU 189 Ca -0.11 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2pnq h LEU 189 Cb 1.82 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2pnq h LEU 189 CO 0.18 0.76 0.11 -1.13 0.09 0.00 0.00 178.44 178.45 2pnq h ASN 190 N 0.76 0.17 -0.62 -0.43 -0.73 -0.85 -1.70 115.58 112.18 2pnq h ASN 190 Ca 0.16 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 2pnq h ASN 190 Cb 0.33 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.86 2pnq h ASN 190 CO 0.00 0.13 0.24 0.22 -0.37 0.00 0.00 177.43 177.66 2pnq h TYR 191 N 0.22 0.98 -0.13 0.67 3.20 -0.95 -2.47 116.97 118.49 2pnq h TYR 191 Ca 0.07 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2pnq h TYR 191 Cb -0.01 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 2pnq h TYR 191 CO -0.08 0.76 0.03 1.25 -1.64 0.00 0.00 178.16 178.48 2pnq h LEU 192 N 0.94 0.20 -1.84 2.82 6.46 -0.72 0.40 115.31 123.58 2pnq h LEU 192 Ca 0.22 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2pnq h LEU 192 Cb 0.21 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2pnq h LEU 192 CO -0.02 0.38 0.03 -0.37 -0.62 0.00 0.00 178.44 177.84 2pnq h VAL 193 N 0.01 1.05 -0.03 1.05 -1.51 -1.10 -0.11 116.25 115.60 2pnq h VAL 193 Ca 0.04 -0.16 -0.07 0.00 -1.23 0.00 0.00 66.70 65.28 2pnq h VAL 193 Cb 0.26 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2pnq h VAL 193 CO 0.00 0.06 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.07 2pnq h LEU 194 N 0.13 0.27 -0.72 4.19 4.07 -1.23 -2.05 115.31 119.96 2pnq h LEU 194 Ca 0.03 -0.71 0.06 0.00 0.08 0.00 0.00 57.88 57.34 2pnq h LEU 194 Cb 0.05 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 2pnq h LEU 194 CO -0.00 0.94 0.42 0.03 -1.08 0.00 0.00 178.44 178.74 2pnq h ARG 195 N -0.38 0.74 0.12 1.13 3.08 -0.29 0.20 114.38 118.99 2pnq h ARG 195 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2pnq h ARG 195 Cb 0.95 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2pnq h ARG 195 CO 0.05 0.49 -0.06 0.28 -1.07 0.00 0.00 179.97 179.67 2pnq h VAL 196 N 0.77 0.98 0.00 2.04 2.07 -1.10 -0.79 116.25 120.21 2pnq h VAL 196 Ca 0.32 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2pnq h VAL 196 Cb 0.18 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2pnq h VAL 196 CO -0.18 0.09 -0.17 0.00 0.02 0.00 0.00 177.57 177.33 2pnq h ALA 197 N 0.54 1.30 0.00 1.67 0.00 -0.86 -2.94 119.26 118.97 2pnq h ALA 197 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pnq h ALA 197 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pnq h ALA 197 CO 0.03 0.21 -0.99 1.19 0.00 0.00 0.00 179.25 179.69 2pnq n PHE 198 N -3.72 0.06 -2.63 0.00 3.01 0.67 -2.45 117.46 112.42 2pnq n PHE 198 Ca -0.02 0.02 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 2pnq n PHE 198 Cb 0.28 -0.19 0.11 0.00 -0.01 0.00 0.00 39.48 39.67 2pnq n PHE 198 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2pnq n SER 199 N -1.67 1.34 -4.13 4.37 3.41 -0.32 -4.54 113.62 112.08 2pnq n SER 199 Ca 0.03 -2.11 -0.11 0.00 -0.26 0.00 0.00 58.87 56.42 2pnq n SER 199 Cb 0.38 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.64 2pnq n SER 199 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2pnq s GLY 200 N -4.95 1.13 -0.23 5.00 0.00 -0.93 0.62 107.32 107.96 2pnq s GLY 200 Ca 0.63 -1.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.66 2pnq s GLY 200 CO 0.42 -1.15 0.87 0.00 0.00 0.00 0.00 173.10 173.23 2pnq s ALA 201 N -4.11 -1.87 0.68 3.20 0.00 -0.72 -1.38 121.76 117.56 2pnq s ALA 201 Ca 0.33 1.80 -0.10 0.00 0.00 0.00 0.00 51.96 53.99 2pnq s ALA 201 Cb 0.05 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2pnq s ALA 201 CO 0.11 -0.30 1.05 0.99 0.00 0.00 0.00 175.76 177.61 2pnq s THR 202 N -0.12 3.59 -0.27 0.00 2.01 -0.03 0.36 115.64 121.18 2pnq s THR 202 Ca -0.01 0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.31 2pnq s THR 202 Cb -0.04 -3.49 0.12 0.00 0.01 0.00 0.00 72.50 69.10 2pnq s THR 202 CO -0.00 -0.62 0.58 0.00 -0.69 0.00 0.00 174.62 173.88 2pnq s ALA 203 N -3.28 -1.77 -0.30 7.40 0.00 0.26 -3.49 121.76 120.57 2pnq s ALA 203 Ca 0.57 2.06 0.02 0.00 0.00 0.00 0.00 51.96 54.62 2pnq s ALA 203 Cb -0.11 -1.65 0.09 0.00 0.00 0.00 0.00 23.12 21.45 2pnq s ALA 203 CO 0.50 -0.89 0.02 0.00 0.00 0.00 0.00 175.76 175.39 2pnq s VAL 205 N 1.17 2.72 -0.10 0.00 1.01 -0.72 -2.04 120.40 122.44 2pnq s VAL 205 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2pnq s VAL 205 Cb -0.19 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2pnq s VAL 205 CO -0.11 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.33 2pnq s ALA 206 N -0.73 2.34 -0.20 5.51 0.00 0.91 -0.39 121.76 129.20 2pnq s ALA 206 Ca 0.12 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2pnq s ALA 206 Cb -0.10 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 2pnq s ALA 206 CO 0.01 0.31 -0.09 -1.58 0.00 0.00 0.00 175.76 174.41 2pnq s HIS 207 N 0.20 2.90 -0.24 0.00 5.04 0.17 -1.83 115.29 121.54 2pnq s HIS 207 Ca -0.12 -1.04 0.02 0.00 -1.54 0.00 0.00 55.06 52.38 2pnq s HIS 207 Cb -0.16 -2.03 0.04 0.00 0.04 0.00 0.00 32.58 30.47 2pnq s HIS 207 CO 0.07 -0.55 -0.13 0.08 -2.34 0.00 0.00 174.74 171.87 2pnq s VAL 208 N 1.27 2.25 -0.33 0.89 1.01 -0.62 -0.74 120.40 124.13 2pnq s VAL 208 Ca 0.03 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.69 2pnq s VAL 208 Cb -0.14 -2.19 0.10 0.00 0.00 0.00 0.00 36.38 34.14 2pnq s VAL 208 CO -0.04 0.16 0.06 -0.62 0.00 0.00 0.00 175.10 174.66 2pnq s ASP 209 N 1.19 4.60 1.98 3.32 -1.08 -0.45 -0.94 116.67 125.28 2pnq s ASP 209 Ca -0.04 -2.03 0.00 0.00 -0.52 0.00 0.00 52.55 49.97 2pnq s ASP 209 Cb -0.18 -1.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.83 2pnq s ASP 209 CO -0.07 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.84 2pnq n GLY 210 N 4.39 4.05 0.11 2.66 0.00 -1.26 -1.00 105.19 114.14 2pnq n GLY 210 Ca 0.02 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2pnq n GLY 210 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pnq n VAL 211 N 0.00 0.00 -3.16 1.61 0.31 -1.26 -4.71 118.33 111.12 2pnq n VAL 211 Ca 0.00 -0.06 -0.40 0.00 -0.01 0.00 0.00 64.34 63.87 2pnq n VAL 211 Cb 0.00 0.10 -0.07 0.00 -0.91 0.00 0.00 33.84 32.96 2pnq n VAL 211 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2pnq s ASP 212 N -2.68 6.50 -0.19 4.52 1.01 -0.17 0.14 116.67 125.80 2pnq s ASP 212 Ca 0.21 0.57 -0.02 0.00 0.71 0.00 0.00 52.55 54.02 2pnq s ASP 212 Cb 0.19 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.80 2pnq s ASP 212 CO 0.55 -0.36 -0.10 -0.22 0.21 0.00 0.00 175.17 175.25 2pnq s LEU 213 N 2.45 2.67 -0.06 1.23 0.20 0.80 -1.34 118.68 124.62 2pnq s LEU 213 Ca 0.24 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.67 2pnq s LEU 213 Cb -0.15 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 2pnq s LEU 213 CO 0.09 0.02 -0.22 -1.00 -0.29 0.00 0.00 176.35 174.96 2pnq s HIS 214 N 1.20 2.51 -0.14 5.38 3.76 0.08 -0.12 115.29 127.97 2pnq s HIS 214 Ca 0.02 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2pnq s HIS 214 Cb -0.14 -1.62 0.02 0.00 1.11 0.00 0.00 32.58 31.94 2pnq s HIS 214 CO -0.04 -0.14 -0.17 0.08 -0.85 0.00 0.00 174.74 173.62 2pnq s VAL 215 N -0.23 1.71 -0.28 -0.90 1.01 -0.74 0.45 120.40 121.42 2pnq s VAL 215 Ca -0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 2pnq s VAL 215 Cb -0.13 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2pnq s VAL 215 CO 0.03 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.70 2pnq s ALA 216 N 1.15 3.16 -0.03 5.51 0.00 0.48 -1.74 121.76 130.29 2pnq s ALA 216 Ca -0.02 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 50.74 2pnq s ALA 216 Cb -0.14 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2pnq s ALA 216 CO -0.06 -0.69 -0.24 1.21 0.00 0.00 0.00 175.76 175.98 2pnq s ASN 217 N 1.59 3.23 -0.29 0.00 2.47 -0.32 -1.75 114.94 119.87 2pnq s ASN 217 Ca 0.05 -0.42 -0.03 0.00 0.42 0.00 0.00 52.86 52.88 2pnq s ASN 217 Cb -0.16 -0.48 0.10 0.00 -1.45 0.00 0.00 41.25 39.26 2pnq s ASN 217 CO 0.04 0.32 0.12 -0.89 -3.72 0.00 0.00 177.10 172.97 2pnq s THR 218 N -0.59 0.19 0.00 -5.21 2.01 0.56 -0.57 115.64 112.03 2pnq s THR 218 Ca 0.09 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.18 2pnq s THR 218 Cb -0.10 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.25 2pnq s THR 218 CO -0.00 -0.69 0.00 0.61 -0.69 0.00 0.00 174.62 173.85 2pnq n GLY 219 N 5.14 0.10 1.23 4.40 0.00 -1.24 -0.57 105.19 114.25 2pnq n GLY 219 Ca -0.05 -2.24 0.09 0.00 0.00 0.00 0.00 46.02 43.82 2pnq n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pnq n ASP 220 N 0.00 4.04 -4.53 1.61 3.85 -1.26 -1.28 116.55 118.98 2pnq n ASP 220 Ca 0.00 -2.29 -0.29 0.00 -0.71 0.00 0.00 54.79 51.50 2pnq n ASP 220 Cb 0.00 -0.47 0.14 0.00 -1.35 0.00 0.00 41.12 39.44 2pnq n ASP 220 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 2pnq s SER 221 N -1.06 3.83 0.04 -1.12 0.01 -1.26 -4.07 113.70 110.07 2pnq s SER 221 Ca 0.43 0.53 -0.23 0.00 1.31 0.00 0.00 55.95 58.00 2pnq s SER 221 Cb 0.26 -0.81 0.05 0.00 0.21 0.00 0.00 66.02 65.74 2pnq s SER 221 CO 0.23 -2.31 0.53 -0.60 0.41 0.00 0.00 173.24 171.50 2pnq s ARG 222 N -5.73 1.02 -0.11 12.44 3.52 -0.23 -4.76 118.95 125.11 2pnq s ARG 222 Ca 0.68 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 2pnq s ARG 222 Cb -0.08 0.47 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 2pnq s ARG 222 CO 0.51 -0.36 -0.10 0.00 -0.81 0.00 0.00 175.30 174.53 2pnq s ALA 223 N -2.31 2.77 -0.04 6.12 0.00 -1.26 -1.91 121.76 125.14 2pnq s ALA 223 Ca -0.06 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2pnq s ALA 223 Cb -0.01 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.89 2pnq s ALA 223 CO -0.01 0.36 -0.05 1.41 0.00 0.00 0.00 175.76 177.47 2pnq s MET 224 N -0.07 0.81 -0.08 0.00 1.75 -0.73 -2.00 119.30 118.99 2pnq s MET 224 Ca -0.01 -0.15 -0.15 0.00 -1.25 0.00 0.00 55.69 54.13 2pnq s MET 224 Cb -0.14 -0.80 -0.05 0.00 2.84 0.00 0.00 34.83 36.68 2pnq s MET 224 CO 0.03 -0.03 0.39 -1.17 -0.65 0.00 0.00 175.02 173.59 2pnq s LEU 225 N 0.69 4.36 -0.40 4.11 2.96 -0.04 -1.07 118.68 129.29 2pnq s LEU 225 Ca -0.09 0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 54.43 2pnq s LEU 225 Cb -0.12 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.03 2pnq s LEU 225 CO 0.00 0.18 0.43 -0.83 -1.32 0.00 0.00 176.35 174.82 2pnq s GLY 226 N -0.19 1.88 -0.16 7.98 0.00 0.29 -1.94 107.32 115.17 2pnq s GLY 226 Ca 0.22 -1.38 -0.02 0.00 0.00 0.00 0.00 44.72 43.54 2pnq s GLY 226 CO 0.10 1.15 -0.08 0.14 0.00 0.00 0.00 173.10 174.40 2pnq s VAL 227 N 2.16 3.35 -0.23 1.40 1.01 0.11 -1.10 120.40 127.11 2pnq s VAL 227 Ca 0.13 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 2pnq s VAL 227 Cb -0.17 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2pnq s VAL 227 CO 0.13 0.49 0.19 -1.58 0.00 0.00 0.00 175.10 174.33 2pnq s GLN 228 N 0.66 4.10 0.90 2.72 0.74 -0.41 0.17 119.66 128.55 2pnq s GLN 228 Ca -0.04 -0.20 -0.12 0.00 0.05 0.00 0.00 55.36 55.04 2pnq s GLN 228 Cb -0.15 -3.53 0.13 0.00 1.10 0.00 0.00 33.01 30.57 2pnq s GLN 228 CO 0.02 0.07 1.13 -1.21 -0.55 0.00 0.00 175.29 174.76 2pnq s GLU 229 N 1.01 1.22 0.61 1.67 8.01 0.03 -4.84 118.70 126.40 2pnq s GLU 229 Ca 0.09 0.36 0.35 0.00 0.01 0.00 0.00 54.97 55.78 2pnq s GLU 229 Cb -0.13 -1.84 1.96 0.00 -4.31 0.00 0.00 34.13 29.80 2pnq s GLU 229 CO 0.04 -2.16 2.25 1.05 0.01 0.00 0.00 175.26 176.45 2pnq h GLU 230 N -1.47 0.00 0.00 1.61 4.11 -1.98 -0.90 114.58 115.94 2pnq h GLU 230 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2pnq h GLU 230 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2pnq h GLU 230 CO 0.61 0.02 -0.53 -0.40 0.07 0.00 0.00 179.01 178.78 2pnq n ASP 231 N -3.46 0.53 0.00 3.06 3.85 -1.26 -4.94 116.55 114.32 2pnq n ASP 231 Ca -0.03 -0.14 0.00 0.00 -0.71 0.00 0.00 54.79 53.91 2pnq n ASP 231 Cb 0.12 0.23 0.00 0.00 -1.35 0.00 0.00 41.12 40.12 2pnq n ASP 231 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pnq n GLY 232 N 1.46 1.13 3.79 6.12 0.00 -0.34 -5.08 105.19 112.26 2pnq n GLY 232 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2pnq n GLY 232 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pnq s SER 233 N -1.79 4.77 -0.06 1.61 1.04 -1.26 -4.72 113.70 113.30 2pnq s SER 233 Ca 0.00 1.68 0.01 0.00 0.48 0.00 0.00 55.95 58.12 2pnq s SER 233 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 2pnq s SER 233 CO 0.00 -1.85 -0.06 0.26 0.98 0.00 0.00 173.24 172.57 2pnq s TRP 234 N -2.98 2.95 -0.03 5.02 0.52 -1.26 -0.79 118.94 122.37 2pnq s TRP 234 Ca 0.60 0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.81 2pnq s TRP 234 Cb -0.16 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 2pnq s TRP 234 CO 0.56 0.35 -0.21 0.45 0.02 0.00 0.00 176.95 178.12 2pnq s SER 235 N -0.94 2.48 -0.15 2.95 0.15 0.13 -4.88 113.70 113.44 2pnq s SER 235 Ca 0.13 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.36 2pnq s SER 235 Cb -0.11 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 2pnq s SER 235 CO 0.03 0.24 -0.04 0.00 1.20 0.00 0.00 173.24 174.66 2pnq s ALA 236 N -0.34 2.98 -0.10 5.45 0.00 -1.26 0.08 121.76 128.56 2pnq s ALA 236 Ca 0.04 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2pnq s ALA 236 Cb -0.10 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2pnq s ALA 236 CO 0.00 0.23 -0.21 0.14 0.00 0.00 0.00 175.76 175.93 2pnq s VAL 237 N 0.32 1.82 0.21 0.00 -7.23 -0.82 -4.96 120.40 109.75 2pnq s VAL 237 Ca -0.04 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 2pnq s VAL 237 Cb -0.14 -1.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.11 2pnq s VAL 237 CO 0.03 0.51 1.20 -0.89 -0.31 0.00 0.00 175.10 175.64 2pnq s THR 238 N 0.54 3.46 -0.60 5.32 2.01 -1.26 -0.86 115.64 124.24 2pnq s THR 238 Ca -0.15 1.27 0.06 0.00 0.31 0.00 0.00 61.69 63.18 2pnq s THR 238 Cb -0.17 -3.81 0.11 0.00 0.01 0.00 0.00 72.50 68.64 2pnq s THR 238 CO 0.05 0.22 0.93 0.18 -0.69 0.00 0.00 174.62 175.31 2pnq n LEU 239 N 2.20 2.03 -3.65 4.42 4.77 -0.84 -4.92 117.00 121.00 2pnq n LEU 239 Ca 0.03 -1.54 -0.15 0.00 -0.03 0.00 0.00 56.01 54.33 2pnq n LEU 239 Cb 0.44 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 2pnq n LEU 239 CO 0.56 0.48 0.23 -0.94 -1.33 0.00 0.00 177.39 176.39 2pnq s SER 240 N -0.76 -0.47 -0.19 -1.43 1.04 -1.25 -4.66 113.70 105.98 2pnq s SER 240 Ca 0.10 0.61 -0.09 0.00 0.48 0.00 0.00 55.95 57.05 2pnq s SER 240 Cb 0.06 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.76 2pnq s SER 240 CO 0.08 -0.43 0.11 0.20 0.98 0.00 0.00 173.24 174.17 2pnq s ASN 241 N -0.80 6.01 0.22 7.02 0.01 -1.26 -4.79 114.94 121.35 2pnq s ASN 241 Ca -0.09 0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 51.95 2pnq s ASN 241 Cb -0.03 -2.04 -0.10 0.00 0.41 0.00 0.00 41.25 39.49 2pnq s ASN 241 CO 0.05 0.19 1.45 -1.81 -1.51 0.00 0.00 177.10 175.47 2pnq s ASP 242 N 0.32 6.66 -0.96 -1.22 1.11 -1.26 -4.88 116.67 116.45 2pnq s ASP 242 Ca 0.07 2.62 -0.15 0.00 0.18 0.00 0.00 52.55 55.27 2pnq s ASP 242 Cb -0.11 -2.62 0.19 0.00 1.07 0.00 0.00 42.92 41.45 2pnq s ASP 242 CO -0.01 -0.71 1.03 -1.00 1.18 0.00 0.00 175.17 175.66 2pnq s HIS 243 N 0.26 3.59 0.13 4.23 3.76 -0.40 -4.58 115.29 122.29 2pnq s HIS 243 Ca 0.61 -1.92 -0.04 0.00 -0.15 0.00 0.00 55.06 53.57 2pnq s HIS 243 Cb -0.42 -4.04 0.02 0.00 1.11 0.00 0.00 32.58 29.25 2pnq s HIS 243 CO 0.40 -1.20 0.24 0.27 -0.85 0.00 0.00 174.74 173.60 2pnq n ASN 244 N 4.86 -0.70 0.16 1.40 2.04 -1.26 0.10 115.26 121.86 2pnq n ASN 244 Ca 0.22 -1.58 0.17 0.00 -0.44 0.00 0.00 54.58 52.95 2pnq n ASN 244 Cb 0.46 1.19 0.78 0.00 -2.53 0.00 0.00 39.78 39.68 2pnq n ASN 244 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2pnq h ALA 245 N 1.89 1.97 0.00 -2.53 0.00 -1.78 0.07 119.26 118.89 2pnq h ALA 245 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pnq h ALA 245 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2pnq h ALA 245 CO 0.14 -0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.07 2pnq n GLN 246 N -3.97 0.87 -3.68 0.00 1.13 -1.26 -4.48 117.38 105.98 2pnq n GLN 246 Ca 0.03 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.71 2pnq n GLN 246 Cb 0.38 -1.40 -0.09 0.00 0.11 0.00 0.00 30.24 29.24 2pnq n GLN 246 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2pnq s ASN 247 N -1.83 5.41 0.49 1.08 3.84 0.01 -4.96 114.94 118.98 2pnq s ASN 247 Ca 0.33 -2.69 0.18 0.00 0.21 0.00 0.00 52.86 50.89 2pnq s ASN 247 Cb 0.15 -1.89 1.20 0.00 -0.55 0.00 0.00 41.25 40.16 2pnq s ASN 247 CO 0.26 -0.43 2.03 -0.33 -2.79 0.00 0.00 177.10 175.84 2pnq h GLU 248 N 7.30 0.17 0.00 0.43 4.39 -1.84 0.14 114.58 125.18 2pnq h GLU 248 Ca -0.03 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 2pnq h GLU 248 Cb 0.98 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 2pnq h GLU 248 CO 0.72 0.12 -0.50 0.00 -1.16 0.00 0.00 179.01 178.19 2pnq h ARG 249 N 0.18 0.00 0.01 2.33 3.08 -1.95 -0.90 114.38 117.13 2pnq h ARG 249 Ca 0.19 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.04 2pnq h ARG 249 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2pnq h ARG 249 CO -0.03 0.50 -0.92 1.49 -1.07 0.00 0.00 179.97 179.95 2pnq h GLU 250 N 0.00 0.15 -0.11 0.04 4.57 -1.14 -1.83 114.58 116.26 2pnq h GLU 250 Ca -0.01 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 57.86 2pnq h GLU 250 Cb 0.89 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2pnq h GLU 250 CO 0.07 0.96 -0.51 -0.07 -1.18 0.00 0.00 179.01 178.28 2pnq h LEU 251 N 0.08 0.32 -0.38 1.64 4.07 -0.83 -2.03 115.31 118.17 2pnq h LEU 251 Ca -0.04 -0.16 -0.18 0.00 0.08 0.00 0.00 57.88 57.58 2pnq h LEU 251 Cb 1.57 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 2pnq h LEU 251 CO 0.14 0.77 -0.81 0.06 -1.08 0.00 0.00 178.44 177.52 2pnq h GLN 252 N 0.23 0.18 -0.52 1.13 3.07 -1.06 -2.75 115.11 115.38 2pnq h GLN 252 Ca 0.01 -0.17 -0.10 0.00 0.09 0.00 0.00 58.65 58.48 2pnq h GLN 252 Cb 0.98 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.57 2pnq h GLN 252 CO 0.08 0.89 -0.05 -0.09 0.09 0.00 0.00 178.83 179.76 2pnq h ARG 253 N 0.11 0.95 -0.10 0.06 2.43 -1.20 -2.18 114.38 114.45 2pnq h ARG 253 Ca -0.03 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 2pnq h ARG 253 Cb 1.41 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2pnq h ARG 253 CO 0.12 0.99 0.03 -0.07 -1.51 0.00 0.00 179.97 179.54 2pnq h LEU 254 N 0.82 0.15 -1.84 3.80 4.07 -1.37 -1.57 115.31 119.38 2pnq h LEU 254 Ca 0.14 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 2pnq h LEU 254 Cb 0.59 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 2pnq h LEU 254 CO 0.04 0.31 -0.13 0.11 -1.08 0.00 0.00 178.44 177.68 2pnq h LYS 255 N -0.01 0.00 0.00 1.13 1.79 -1.48 -2.56 116.57 115.43 2pnq h LYS 255 Ca 0.03 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 2pnq h LYS 255 Cb 0.21 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2pnq h LYS 255 CO -0.00 0.13 -0.66 -0.07 -1.08 0.00 0.00 179.45 177.77 2pnq h LEU 256 N 0.00 0.00 0.00 2.94 4.07 -1.05 -3.21 115.31 118.06 2pnq h LEU 256 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2pnq h LEU 256 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2pnq h LEU 256 CO 0.02 0.58 0.00 -0.62 -1.08 0.00 0.00 178.44 177.34 2pnq n GLU 257 N -3.21 0.85 -4.11 1.13 1.02 -0.62 -4.83 120.64 110.87 2pnq n GLU 257 Ca 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 2pnq n GLU 257 Cb 0.77 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.59 2pnq n GLU 257 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2pnq s HIS 258 N -2.11 0.61 0.81 -0.32 3.76 -1.21 -5.09 115.29 111.74 2pnq s HIS 258 Ca 0.42 -1.02 -0.15 0.00 -0.15 0.00 0.00 55.06 54.16 2pnq s HIS 258 Cb 0.21 -0.42 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 2pnq s HIS 258 CO 0.37 -0.32 0.47 -2.30 -0.85 0.00 0.00 174.74 172.11 2pnq n PRO 259 N 0.11 0.09 -0.30 8.40 -0.02 -1.26 -4.85 135.00 137.16 2pnq n PRO 259 Ca -0.14 0.07 -0.02 0.00 -2.02 0.00 0.00 63.50 61.39 2pnq n PRO 259 Cb 0.61 -1.83 0.14 0.00 -0.02 0.00 0.00 33.50 32.39 2pnq n PRO 259 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2pnq h LYS 260 N -0.81 1.18 -0.04 -0.52 3.64 -1.97 -1.57 116.57 116.48 2pnq h LYS 260 Ca -0.45 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2pnq h LYS 260 Cb 1.32 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2pnq h LYS 260 CO 0.39 0.84 0.15 -2.95 -2.27 0.00 0.00 179.45 175.61 2pnq h ASN 261 N 1.19 0.00 0.13 4.20 7.08 -1.98 -0.37 115.58 125.84 2pnq h ASN 261 Ca 0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.53 2pnq h ASN 261 Cb -0.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.22 2pnq h ASN 261 CO -0.05 0.00 -0.11 -0.62 -2.08 0.00 0.00 177.43 174.57 2pnq n GLU 262 N -3.19 1.19 -0.18 4.14 1.02 -0.59 -4.03 120.64 118.99 2pnq n GLU 262 Ca -0.02 -0.63 0.16 0.00 -0.02 0.00 0.00 57.16 56.65 2pnq n GLU 262 Cb 0.22 -1.49 0.50 0.00 -0.02 0.00 0.00 31.44 30.65 2pnq n GLU 262 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pnq h ALA 263 N 3.98 2.11 0.00 0.62 0.00 -1.16 0.25 119.26 125.07 2pnq h ALA 263 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pnq h ALA 263 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pnq h ALA 263 CO 0.00 -0.32 0.00 0.36 0.00 0.00 0.00 179.25 179.29 2pnq n LYS 264 N -4.49 0.95 0.00 0.00 2.85 -1.26 -4.06 118.16 112.16 2pnq n LYS 264 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2pnq n LYS 264 Cb 0.55 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 2pnq n LYS 264 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2pnq n SER 265 N -0.93 0.07 -0.20 -5.58 3.41 0.71 -4.84 113.62 106.26 2pnq n SER 265 Ca 0.20 -0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.81 2pnq n SER 265 Cb 0.09 0.02 0.11 0.00 -0.26 0.00 0.00 64.21 64.17 2pnq n SER 265 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2pnq h VAL 266 N 0.00 0.63 -3.65 -3.33 2.07 -1.18 -3.35 116.25 107.43 2pnq h VAL 266 Ca 0.00 -0.08 -0.65 0.00 0.82 0.00 0.00 66.70 66.79 2pnq h VAL 266 Cb 0.00 0.37 -0.37 0.00 -1.52 0.00 0.00 31.29 29.77 2pnq h VAL 266 CO 0.00 0.04 -0.80 -0.69 0.02 0.00 0.00 177.57 176.14 2pnq s VAL 267 N -6.11 1.92 0.00 2.57 1.01 -1.26 0.11 120.40 118.64 2pnq s VAL 267 Ca -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2pnq s VAL 267 Cb 0.18 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2pnq s VAL 267 CO 0.74 0.05 0.00 0.29 0.00 0.00 0.00 175.10 176.18 2pnq n LYS 268 N 4.55 0.00 -0.75 2.72 5.02 -0.95 -4.90 118.16 123.85 2pnq n LYS 268 Ca -0.14 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.99 2pnq n LYS 268 Cb 0.44 -0.07 0.12 0.00 -0.02 0.00 0.00 35.03 35.50 2pnq n LYS 268 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2pnq n GLN 269 N -0.96 -1.44 0.00 1.97 3.00 -1.26 -4.74 117.38 113.94 2pnq n GLN 269 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.01 2pnq n GLN 269 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 30.24 29.46 2pnq n GLN 269 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2pnq n ASP 270 N -3.72 0.00 -4.69 1.08 8.00 -1.26 -4.66 116.55 111.29 2pnq n ASP 270 Ca 0.08 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.32 2pnq n ASP 270 Cb 0.30 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 2pnq n ASP 270 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2pnq s ARG 271 N -1.09 2.51 -0.07 -1.24 0.52 -1.26 -4.21 118.95 114.10 2pnq s ARG 271 Ca 0.00 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.86 2pnq s ARG 271 Cb 0.00 -2.42 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 2pnq s ARG 271 CO 0.00 0.46 1.68 -1.17 0.02 0.00 0.00 175.30 176.29 2pnq s LEU 272 N -2.96 4.26 -2.11 2.53 1.98 0.27 -1.46 118.68 121.18 2pnq s LEU 272 Ca 0.28 2.17 0.00 0.00 -2.89 0.00 0.00 54.13 53.69 2pnq s LEU 272 Cb -0.09 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.22 2pnq s LEU 272 CO 0.19 -0.99 0.00 0.18 -1.89 0.00 0.00 176.35 173.84 2pnq n LEU 273 N 7.41 -1.45 0.00 -0.68 4.77 0.31 -1.21 117.00 126.14 2pnq n LEU 273 Ca 0.18 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 2pnq n LEU 273 Cb 0.43 -2.76 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 2pnq n LEU 273 CO 0.63 -1.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 2pnq n GLY 274 N -0.37 0.48 1.40 -0.72 0.00 -0.54 -4.58 105.19 100.87 2pnq n GLY 274 Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2pnq n GLY 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pnq n LEU 275 N 0.00 0.26 -4.74 0.99 4.77 -0.35 -4.82 117.00 113.11 2pnq n LEU 275 Ca 0.00 0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.71 2pnq n LEU 275 Cb 0.00 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2pnq n LEU 275 CO 0.00 -0.44 0.30 -0.76 -1.33 0.00 0.00 177.39 175.16 2pnq s LEU 276 N -6.20 4.34 -0.04 2.23 1.43 -1.04 -4.77 118.68 114.63 2pnq s LEU 276 Ca 0.00 1.08 -0.17 0.00 -1.03 0.00 0.00 54.13 54.01 2pnq s LEU 276 Cb 0.00 -2.92 -0.11 0.00 0.03 0.00 0.00 46.19 43.19 2pnq s LEU 276 CO 0.00 -0.00 0.72 -0.03 0.23 0.00 0.00 176.35 177.27 2pnq h MET 277 N 6.32 -0.38 -6.86 1.70 1.85 -1.91 0.76 114.93 116.41 2pnq h MET 277 Ca -0.43 0.03 -0.52 0.00 -0.61 0.00 0.00 59.70 58.17 2pnq h MET 277 Cb 1.19 0.09 0.06 0.00 0.43 0.00 0.00 31.60 33.37 2pnq h MET 277 CO 0.73 -0.11 0.63 -1.25 -0.40 0.00 0.00 176.91 176.51 2pnq s PRO 278 N -3.34 4.38 0.00 0.39 0.05 -1.26 -4.46 135.00 130.76 2pnq s PRO 278 Ca -0.10 2.18 0.22 0.00 0.05 0.00 0.00 61.00 63.35 2pnq s PRO 278 Cb 0.01 -3.09 0.55 0.00 0.05 0.00 0.00 34.50 32.02 2pnq s PRO 278 CO 0.33 -0.17 1.48 1.19 0.05 0.00 0.00 177.00 179.88 2pnq n PHE 279 N 0.99 0.74 -3.73 0.56 3.01 0.11 -4.82 117.46 114.33 2pnq n PHE 279 Ca 0.00 -0.37 -0.13 0.00 1.01 0.00 0.00 57.45 57.96 2pnq n PHE 279 Cb 0.42 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.79 2pnq n PHE 279 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2pnq s ARG 280 N -1.26 0.54 -0.25 -1.08 0.52 -1.26 -4.49 118.95 111.67 2pnq s ARG 280 Ca 0.43 0.37 -0.37 0.00 -0.52 0.00 0.00 55.73 55.64 2pnq s ARG 280 Cb 0.24 0.26 0.15 0.00 0.52 0.00 0.00 34.95 36.11 2pnq s ARG 280 CO 0.32 -0.10 1.31 0.00 0.02 0.00 0.00 175.30 176.85 2pnq s ALA 281 N -0.21 -2.15 0.68 2.13 0.00 0.53 -3.61 121.76 119.15 2pnq s ALA 281 Ca -0.04 1.78 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 2pnq s ALA 281 Cb -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2pnq s ALA 281 CO 0.02 -0.56 1.05 -0.06 0.00 0.00 0.00 175.76 176.21 2pnq s PHE 282 N -2.17 3.25 0.00 0.00 0.40 0.16 -3.65 117.98 115.96 2pnq s PHE 282 Ca 0.11 0.88 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 2pnq s PHE 282 Cb -0.01 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.49 2pnq s PHE 282 CO -0.03 -1.15 0.00 0.41 0.70 0.00 0.00 175.22 175.14 2pnq n GLY 283 N -2.92 2.21 1.48 4.36 0.00 -1.26 -1.75 105.19 107.31 2pnq n GLY 283 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2pnq n GLY 283 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pnq n ASP 284 N 10.03 0.00 -0.19 1.61 10.43 0.20 -4.75 116.55 133.89 2pnq n ASP 284 Ca 0.00 0.00 0.15 0.00 2.57 0.00 0.00 54.79 57.51 2pnq n ASP 284 Cb 0.00 0.00 0.71 0.00 1.84 0.00 0.00 41.12 43.67 2pnq n ASP 284 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 2pnq n VAL 285 N -0.30 0.00 0.29 2.53 3.14 -1.02 -2.97 118.33 119.99 2pnq n VAL 285 Ca 0.00 -0.10 0.18 0.00 -2.96 0.00 0.00 64.34 61.46 2pnq n VAL 285 Cb 0.00 -0.06 0.83 0.00 -1.06 0.00 0.00 33.84 33.55 2pnq n VAL 285 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 2pnq h LYS 286 N 0.91 0.00 -0.40 1.45 3.64 -1.85 -2.28 116.57 118.04 2pnq h LYS 286 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pnq h LYS 286 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2pnq h LYS 286 CO 0.00 0.03 0.00 1.19 -2.27 0.00 0.00 179.45 178.40 2pnq n PHE 287 N -3.18 0.52 0.01 1.91 3.01 -1.16 -4.69 117.46 113.89 2pnq n PHE 287 Ca -0.01 -0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.05 2pnq n PHE 287 Cb 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 2pnq n PHE 287 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2pnq n LYS 288 N 0.92 0.00 -1.27 -1.08 5.02 -0.97 -1.64 118.16 119.14 2pnq n LYS 288 Ca 0.15 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 2pnq n LYS 288 Cb 0.48 -0.49 0.09 0.00 -0.02 0.00 0.00 35.03 35.08 2pnq n LYS 288 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2pnq s TRP 289 N -2.00 2.59 0.72 2.13 0.51 -0.90 -4.10 118.94 117.90 2pnq s TRP 289 Ca 0.00 1.55 -0.11 0.00 -2.12 0.00 0.00 56.10 55.41 2pnq s TRP 289 Cb 0.00 -3.04 0.03 0.00 -0.81 0.00 0.00 33.47 29.65 2pnq s TRP 289 CO 0.00 -1.79 1.08 -1.54 -0.51 0.00 0.00 176.95 174.19 2pnq s SER 290 N -3.41 4.95 0.21 2.95 1.04 -1.26 -4.87 113.70 113.30 2pnq s SER 290 Ca 0.61 1.77 -0.10 0.00 0.48 0.00 0.00 55.95 58.71 2pnq s SER 290 Cb -0.17 -2.52 0.21 0.00 0.10 0.00 0.00 66.02 63.64 2pnq s SER 290 CO 0.56 -1.74 1.82 0.40 0.98 0.00 0.00 173.24 175.27 2pnq h ILE 291 N -0.76 1.02 -0.35 -1.02 1.08 -1.97 -1.55 117.51 113.96 2pnq h ILE 291 Ca -0.44 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 63.71 2pnq h ILE 291 Cb 1.22 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2pnq h ILE 291 CO 0.54 0.14 -0.01 -2.24 -0.69 0.00 0.00 178.15 175.89 2pnq h ASP 292 N 0.75 0.61 -0.79 1.72 2.03 -1.99 -0.84 116.42 117.90 2pnq h ASP 292 Ca 0.29 -0.31 0.05 0.00 -0.73 0.00 0.00 57.03 56.33 2pnq h ASP 292 Cb 0.11 -0.16 -0.06 0.00 -0.83 0.00 0.00 39.33 38.39 2pnq h ASP 292 CO -0.15 0.78 0.48 0.25 -1.03 0.00 0.00 179.24 179.57 2pnq h LEU 293 N 0.43 0.76 0.62 0.15 5.85 -1.86 -1.18 115.31 120.08 2pnq h LEU 293 Ca 0.10 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2pnq h LEU 293 Cb 0.47 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.36 2pnq h LEU 293 CO 0.02 0.49 -0.30 1.56 -0.34 0.00 0.00 178.44 179.88 2pnq h GLN 294 N 0.89 -0.80 -0.28 1.25 4.20 -1.00 -2.17 115.11 117.20 2pnq h GLN 294 Ca 0.34 0.05 0.07 0.00 0.06 0.00 0.00 58.65 59.17 2pnq h GLN 294 Cb 0.14 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 2pnq h GLN 294 CO -0.16 -0.50 -0.20 0.87 -0.67 0.00 0.00 178.83 178.17 2pnq h LYS 295 N -0.93 -0.17 0.14 1.46 1.57 -0.88 -0.77 116.57 116.99 2pnq h LYS 295 Ca -0.08 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2pnq h LYS 295 Cb 0.67 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2pnq h LYS 295 CO 0.14 -0.11 -0.21 0.00 -0.57 0.00 0.00 179.45 178.70 2pnq h ARG 296 N -0.17 -0.40 -0.96 3.15 3.08 -1.24 -2.25 114.38 115.59 2pnq h ARG 296 Ca 0.15 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.32 2pnq h ARG 296 Cb 0.41 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 2pnq h ARG 296 CO -0.39 -0.27 0.60 0.28 -1.07 0.00 0.00 179.97 179.13 2pnq h VAL 297 N -0.42 1.00 -0.04 2.04 2.07 -1.06 -0.12 116.25 119.73 2pnq h VAL 297 Ca 0.02 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2pnq h VAL 297 Cb 0.42 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2pnq h VAL 297 CO -0.10 0.19 0.15 0.40 0.02 0.00 0.00 177.57 178.23 2pnq h ILE 298 N 1.04 0.12 -0.23 4.57 1.08 -0.53 -3.22 117.51 120.33 2pnq h ILE 298 Ca 0.44 0.00 -0.70 0.00 -0.39 0.00 0.00 64.86 64.21 2pnq h ILE 298 Cb 0.30 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 2pnq h ILE 298 CO -0.21 0.00 3.35 1.21 -0.69 0.00 0.00 178.15 181.81 2pnq n GLU 299 N -3.20 3.54 0.00 2.37 2.13 -0.06 -4.60 120.64 120.82 2pnq n GLU 299 Ca -0.02 -2.56 0.00 0.00 0.66 0.00 0.00 57.16 55.24 2pnq n GLU 299 Cb 0.22 -2.94 0.00 0.00 0.27 0.00 0.00 31.44 28.99 2pnq n GLU 299 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2pnq n SER 300 N 4.16 0.00 0.00 4.31 3.41 -1.22 -5.10 113.62 119.19 2pnq n SER 300 Ca 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2pnq n SER 300 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2pnq n SER 300 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pnq n GLY 301 N 0.00 0.85 3.56 5.00 0.00 -1.26 -4.99 105.19 108.34 2pnq n GLY 301 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 2pnq n GLY 301 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pnq s PRO 302 N -0.26 2.22 0.00 1.61 0.02 -1.26 -5.10 135.00 132.23 2pnq s PRO 302 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 61.00 61.24 2pnq s PRO 302 Cb 0.00 -4.85 0.00 0.00 0.02 0.00 0.00 34.50 29.67 2pnq s PRO 302 CO 0.00 -3.63 0.00 -0.40 -0.33 0.00 0.00 177.00 172.64 2pnq n ASP 303 N 15.49 0.00 -3.67 2.53 3.85 -1.26 -5.26 116.55 128.23 2pnq n ASP 303 Ca 0.39 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 54.35 2pnq n ASP 303 Cb 0.47 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.16 2pnq n ASP 303 CO 0.00 0.00 0.00 -2.84 -1.01 0.00 0.00 177.20 173.35 2pnq s PRO 315 N 0.06 0.69 0.00 0.11 0.02 -1.26 -5.24 135.00 129.39 2pnq s PRO 315 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 61.00 61.90 2pnq s PRO 315 Cb 0.00 0.31 0.00 0.00 0.02 0.00 0.00 34.50 34.83 2pnq s PRO 315 CO 0.00 -0.09 0.00 -2.30 -0.33 0.00 0.00 177.00 174.28 2pnq n PRO 316 N 2.98 0.00 -1.76 5.54 -0.02 -1.26 -3.49 135.00 136.98 2pnq n PRO 316 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.93 2pnq n PRO 316 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.03 2pnq n PRO 316 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pnq n ASN 317 N 0.00 6.87 -4.57 2.55 3.02 -1.26 -4.87 115.26 116.99 2pnq n ASN 317 Ca 0.00 -2.87 -0.42 0.00 -0.03 0.00 0.00 54.58 51.25 2pnq n ASN 317 Cb 0.00 -1.51 -0.01 0.00 -0.61 0.00 0.00 39.78 37.65 2pnq n ASN 317 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pnq s TYR 318 N 1.20 2.70 -0.21 3.10 5.04 -1.23 -4.74 117.35 123.21 2pnq s TYR 318 Ca 0.55 -1.37 -0.17 0.00 -2.44 0.00 0.00 57.07 53.65 2pnq s TYR 318 Cb 0.16 -4.73 -0.08 0.00 0.35 0.00 0.00 41.96 37.66 2pnq s TYR 318 CO -0.06 -1.84 -0.35 0.72 -1.34 0.00 0.00 175.55 172.67 2pnq n HIS 319 N 8.61 0.00 -2.84 4.97 8.25 -1.26 -4.73 115.22 128.21 2pnq n HIS 319 Ca 0.44 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.56 2pnq n HIS 319 Cb 0.48 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 2pnq n HIS 319 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2pnq n THR 320 N -4.39 4.45 0.00 1.59 -2.24 -1.26 -5.01 114.28 107.41 2pnq n THR 320 Ca -0.25 -5.76 0.00 0.00 -2.27 0.00 0.00 64.05 55.77 2pnq n THR 320 Cb 0.62 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2pnq n THR 320 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2pnq n PRO 321 N -0.03 0.00 -1.99 -0.78 -0.02 -1.26 -4.50 135.00 126.41 2pnq n PRO 321 Ca 0.37 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 2pnq n PRO 321 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.78 2pnq n PRO 321 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2pnq s PRO 322 N -0.29 2.74 -0.03 0.52 0.02 -1.26 -4.33 135.00 132.38 2pnq s PRO 322 Ca 0.00 0.86 0.08 0.00 0.02 0.00 0.00 61.00 61.96 2pnq s PRO 322 Cb 0.00 -4.36 -0.12 0.00 0.02 0.00 0.00 34.50 30.04 2pnq s PRO 322 CO 0.00 -2.58 0.15 0.66 -0.33 0.00 0.00 177.00 174.90 2pnq n TYR 323 N 12.47 0.00 -5.07 6.54 4.02 -0.65 -5.02 117.16 129.44 2pnq n TYR 323 Ca 0.22 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.83 2pnq n TYR 323 Cb 0.51 -0.23 -0.16 0.00 -0.02 0.00 0.00 39.34 39.44 2pnq n TYR 323 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2pnq s LEU 324 N -3.80 2.03 0.25 7.72 2.96 -1.14 -5.03 118.68 121.66 2pnq s LEU 324 Ca -0.03 -0.41 0.10 0.00 -0.22 0.00 0.00 54.13 53.58 2pnq s LEU 324 Cb 0.05 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 2pnq s LEU 324 CO 0.34 0.25 -0.18 0.42 -1.32 0.00 0.00 176.35 175.86 2pnq s THR 325 N -0.39 2.21 -1.30 3.68 -4.23 -1.26 -4.79 115.64 109.54 2pnq s THR 325 Ca 0.05 -2.32 0.12 0.00 -1.18 0.00 0.00 61.69 58.37 2pnq s THR 325 Cb -0.10 -2.19 0.20 0.00 1.34 0.00 0.00 72.50 71.75 2pnq s THR 325 CO 0.00 -0.45 1.06 0.00 -0.54 0.00 0.00 174.62 174.69 2pnq n ALA 326 N -0.48 2.35 -1.80 3.99 0.00 -1.24 -0.35 120.51 122.99 2pnq n ALA 326 Ca -0.07 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.11 2pnq n ALA 326 Cb 0.60 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 2pnq n ALA 326 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2pnq s GLU 327 N -1.01 3.99 0.73 0.00 2.12 -1.26 -4.71 118.70 118.55 2pnq s GLU 327 Ca 0.19 2.33 -0.11 0.00 0.36 0.00 0.00 54.97 57.74 2pnq s GLU 327 Cb 0.12 -4.13 0.03 0.00 0.26 0.00 0.00 34.13 30.40 2pnq s GLU 327 CO 0.16 -1.11 1.09 -1.25 -0.54 0.00 0.00 175.26 173.61 2pnq s PRO 328 N 4.62 2.67 -0.24 4.30 0.04 -1.26 -4.85 135.00 140.27 2pnq s PRO 328 Ca 0.84 0.59 -0.09 0.00 0.04 0.00 0.00 61.00 62.38 2pnq s PRO 328 Cb -0.37 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2pnq s PRO 328 CO 0.36 -1.20 0.13 -2.00 0.04 0.00 0.00 177.00 174.34 2pnq s GLU 329 N -5.25 3.92 -0.10 4.56 2.12 0.26 -4.84 118.70 119.36 2pnq s GLU 329 Ca 0.59 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 2pnq s GLU 329 Cb -0.12 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 2pnq s GLU 329 CO 0.53 -0.04 -0.05 0.08 -0.54 0.00 0.00 175.26 175.24 2pnq s VAL 330 N 1.29 3.80 0.02 3.70 1.01 -1.26 -1.17 120.40 127.79 2pnq s VAL 330 Ca 0.06 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2pnq s VAL 330 Cb -0.14 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2pnq s VAL 330 CO 0.06 0.56 -0.19 0.42 0.00 0.00 0.00 175.10 175.94 2pnq s THR 331 N -0.34 1.55 0.01 3.92 -4.23 -0.71 -4.99 115.64 110.86 2pnq s THR 331 Ca 0.05 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 2pnq s THR 331 Cb -0.12 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 2pnq s THR 331 CO 0.02 0.25 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.85 2pnq s TYR 332 N -0.69 2.96 -0.10 3.99 5.04 -1.26 -1.79 117.35 125.49 2pnq s TYR 332 Ca 0.07 0.00 -0.05 0.00 -2.44 0.00 0.00 57.07 54.65 2pnq s TYR 332 Cb -0.08 -1.62 0.05 0.00 0.35 0.00 0.00 41.96 40.66 2pnq s TYR 332 CO 0.01 0.42 0.24 -1.58 -1.34 0.00 0.00 175.55 173.30 2pnq s HIS 333 N -1.07 -0.32 -0.35 4.97 5.65 0.83 -5.01 115.29 119.98 2pnq s HIS 333 Ca 0.19 0.77 -0.17 0.00 0.25 0.00 0.00 55.06 56.09 2pnq s HIS 333 Cb -0.11 0.04 -0.00 0.00 -1.18 0.00 0.00 32.58 31.32 2pnq s HIS 333 CO 0.10 -0.23 0.47 0.50 -0.65 0.00 0.00 174.74 174.93 2pnq s ARG 334 N 1.24 3.58 0.32 2.88 3.52 -1.26 -0.14 118.95 129.08 2pnq s ARG 334 Ca -0.09 -0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 54.97 2pnq s ARG 334 Cb -0.10 -3.81 -0.10 0.00 -1.56 0.00 0.00 34.95 29.37 2pnq s ARG 334 CO -0.08 -0.62 1.40 -0.51 -0.81 0.00 0.00 175.30 174.67 2pnq s LEU 335 N 2.29 4.39 0.14 -0.88 1.43 0.12 -5.00 118.68 121.16 2pnq s LEU 335 Ca 0.17 2.77 0.06 0.00 -1.03 0.00 0.00 54.13 56.10 2pnq s LEU 335 Cb -0.16 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2pnq s LEU 335 CO 0.13 -0.67 -0.13 -0.13 0.23 0.00 0.00 176.35 175.77 2pnq s ARG 336 N -1.39 1.08 0.48 1.70 1.81 -1.26 -4.91 118.95 116.46 2pnq s ARG 336 Ca 0.53 -1.34 0.38 0.00 -1.72 0.00 0.00 55.73 53.58 2pnq s ARG 336 Cb -0.42 -0.90 1.56 0.00 -0.45 0.00 0.00 34.95 34.74 2pnq s ARG 336 CO 0.52 0.16 1.59 -1.35 -0.68 0.00 0.00 175.30 175.54 2pnq h PRO 337 N 3.23 0.02 0.00 3.54 0.11 -1.85 0.11 132.00 137.17 2pnq h PRO 337 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2pnq h PRO 337 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2pnq h PRO 337 CO 0.55 0.01 0.00 1.96 -0.21 0.00 0.00 178.00 180.31 2pnq h GLN 338 N 0.02 0.00 -5.56 1.05 4.20 -1.95 -3.42 115.11 109.45 2pnq h GLN 338 Ca 0.88 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.95 2pnq h GLN 338 Cb 3.06 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 30.70 2pnq h GLN 338 CO -0.31 0.00 0.33 -0.51 -0.67 0.00 0.00 178.83 177.67 2pnq s ASP 339 N -5.47 6.33 -0.07 1.46 1.01 0.39 -1.28 116.67 119.03 2pnq s ASP 339 Ca 0.04 -0.43 0.04 0.00 0.71 0.00 0.00 52.55 52.91 2pnq s ASP 339 Cb 0.08 -2.37 -0.24 0.00 1.01 0.00 0.00 42.92 41.40 2pnq s ASP 339 CO 0.56 -1.01 0.54 0.29 0.21 0.00 0.00 175.17 175.76 2pnq n LYS 340 N 6.81 0.69 -3.61 8.23 4.76 -0.26 -4.72 118.16 130.06 2pnq n LYS 340 Ca -0.01 0.28 -0.09 0.00 -2.87 0.00 0.00 58.31 55.63 2pnq n LYS 340 Cb 0.47 -1.76 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 2pnq n LYS 340 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2pnq s PHE 341 N -2.58 -0.37 -0.08 2.13 -0.12 -1.17 -0.95 117.98 114.85 2pnq s PHE 341 Ca -0.12 0.07 0.03 0.00 -0.05 0.00 0.00 56.93 56.86 2pnq s PHE 341 Cb 0.07 0.62 0.01 0.00 -0.63 0.00 0.00 43.02 43.09 2pnq s PHE 341 CO 0.80 -0.95 -0.18 -1.17 -0.05 0.00 0.00 175.22 173.67 2pnq s LEU 342 N -2.80 1.86 -0.18 -1.99 0.20 0.13 0.10 118.68 116.00 2pnq s LEU 342 Ca 0.06 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.47 2pnq s LEU 342 Cb -0.03 -1.08 0.01 0.00 -0.43 0.00 0.00 46.19 44.66 2pnq s LEU 342 CO -0.04 0.10 -0.17 0.68 -0.29 0.00 0.00 176.35 176.63 2pnq s VAL 343 N 0.44 2.41 -0.17 1.68 -7.23 -0.23 0.70 120.40 118.00 2pnq s VAL 343 Ca -0.15 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.13 2pnq s VAL 343 Cb -0.16 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2pnq s VAL 343 CO 0.06 0.52 0.03 -0.76 -0.31 0.00 0.00 175.10 174.63 2pnq s LEU 344 N 1.16 3.66 0.08 1.32 1.43 0.42 -1.77 118.68 124.98 2pnq s LEU 344 Ca 0.01 0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 2pnq s LEU 344 Cb -0.14 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.22 2pnq s LEU 344 CO -0.07 0.18 0.49 0.00 0.23 0.00 0.00 176.35 177.18 2pnq s ALA 345 N 0.34 -1.23 0.75 4.21 0.00 -0.80 -0.49 121.76 124.54 2pnq s ALA 345 Ca 0.01 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 2pnq s ALA 345 Cb -0.13 0.54 0.06 0.00 0.00 0.00 0.00 23.12 23.60 2pnq s ALA 345 CO 0.01 -0.58 1.10 0.95 0.00 0.00 0.00 175.76 177.24 2pnq s THR 346 N -3.02 2.30 -1.21 0.00 -4.23 -0.99 -1.06 115.64 107.43 2pnq s THR 346 Ca -0.02 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2pnq s THR 346 Cb -0.00 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2pnq s THR 346 CO -0.06 -0.07 0.91 -0.90 -0.54 0.00 0.00 174.62 173.95 2pnq n ASP 347 N -3.11 0.00 0.26 3.99 5.75 -1.26 -1.03 116.55 121.16 2pnq n ASP 347 Ca 0.08 0.39 0.10 0.00 -0.01 0.00 0.00 54.79 55.35 2pnq n ASP 347 Cb 0.60 -0.40 0.70 0.00 -1.03 0.00 0.00 41.12 41.00 2pnq n ASP 347 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2pnq h GLY 348 N 0.04 0.00 0.00 6.12 0.00 -1.89 -2.43 103.07 104.91 2pnq h GLY 348 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2pnq h GLY 348 CO 0.00 0.00 -0.38 -2.00 0.00 0.00 0.00 176.54 174.16 2pnq h LEU 349 N 0.00 0.00 -1.47 3.11 6.46 -1.35 -3.39 115.31 118.67 2pnq h LEU 349 Ca -0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2pnq h LEU 349 Cb 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2pnq h LEU 349 CO 0.01 0.74 0.03 -0.50 -0.62 0.00 0.00 178.44 178.10 2pnq h TRP 350 N -1.00 0.00 0.00 1.25 4.06 -1.63 -0.22 115.95 118.41 2pnq h TRP 350 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 2pnq h TRP 350 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 2pnq h TRP 350 CO -0.10 0.00 -0.19 0.39 -3.56 0.00 0.00 178.44 174.98 2pnq n GLU 351 N -2.29 0.01 -0.04 0.49 -0.58 -0.92 -3.91 120.64 113.40 2pnq n GLU 351 Ca -0.01 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2pnq n GLU 351 Cb 0.06 -1.51 -0.11 0.00 -0.57 0.00 0.00 31.44 29.31 2pnq n GLU 351 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2pnq n THR 352 N -1.52 0.53 -4.06 2.62 -2.24 -0.10 -5.03 114.28 104.48 2pnq n THR 352 Ca 0.06 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 2pnq n THR 352 Cb 0.34 -0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.19 2pnq n THR 352 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2pnq s MET 353 N -2.66 0.52 0.58 -0.78 -1.94 -1.17 -5.01 119.30 108.83 2pnq s MET 353 Ca -0.06 -0.90 -0.18 0.00 -1.71 0.00 0.00 55.69 52.84 2pnq s MET 353 Cb 0.07 -0.03 -0.04 0.00 2.01 0.00 0.00 34.83 36.83 2pnq s MET 353 CO 0.60 -0.03 1.11 -1.58 -0.01 0.00 0.00 175.02 175.11 2pnq s HIS 354 N -2.32 2.72 0.34 -0.03 2.46 -1.26 -4.69 115.29 112.51 2pnq s HIS 354 Ca -0.05 1.55 0.05 0.00 0.47 0.00 0.00 55.06 57.08 2pnq s HIS 354 Cb -0.04 -3.20 0.71 0.00 -0.13 0.00 0.00 32.58 29.92 2pnq s HIS 354 CO -0.03 -1.49 1.91 0.07 -2.47 0.00 0.00 174.74 172.73 2pnq h ARG 355 N 0.80 0.79 0.00 2.88 0.11 -2.00 -2.45 114.38 114.50 2pnq h ARG 355 Ca -0.49 -0.05 -0.12 0.00 0.10 0.00 0.00 59.98 59.43 2pnq h ARG 355 Cb 1.25 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 32.13 2pnq h ARG 355 CO 0.56 0.52 -0.57 0.37 0.10 0.00 0.00 179.97 180.96 2pnq h GLN 356 N 0.81 0.00 -0.64 0.08 4.15 -1.95 -3.09 115.11 114.48 2pnq h GLN 356 Ca 0.39 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.72 2pnq h GLN 356 Cb 0.42 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 2pnq h GLN 356 CO -0.16 0.57 0.08 -0.44 -1.93 0.00 0.00 178.83 176.95 2pnq h ASP 357 N 0.00 1.04 -0.04 -0.69 3.32 -1.82 0.16 116.42 118.39 2pnq h ASP 357 Ca -0.01 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 56.81 2pnq h ASP 357 Cb 1.38 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 2pnq h ASP 357 CO 0.07 1.05 -0.34 0.58 -1.72 0.00 0.00 179.24 178.89 2pnq h VAL 358 N 0.99 0.27 -0.74 -1.35 2.07 -1.47 0.51 116.25 116.52 2pnq h VAL 358 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2pnq h VAL 358 Cb 0.47 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2pnq h VAL 358 CO 0.02 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.60 2pnq h VAL 359 N -0.46 1.22 -0.14 2.57 2.07 -1.44 0.17 116.25 120.24 2pnq h VAL 359 Ca 0.07 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2pnq h VAL 359 Cb 0.57 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2pnq h VAL 359 CO -0.30 0.24 0.07 -0.09 0.02 0.00 0.00 177.57 177.51 2pnq h ARG 360 N 1.03 0.20 -0.17 1.57 2.43 -0.11 0.28 114.38 119.60 2pnq h ARG 360 Ca 0.26 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2pnq h ARG 360 Cb 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2pnq h ARG 360 CO -0.04 0.24 0.09 0.82 -1.51 0.00 0.00 179.97 179.56 2pnq h ILE 361 N 0.11 1.11 -0.13 1.20 2.04 0.33 -0.77 117.51 121.40 2pnq h ILE 361 Ca 0.05 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2pnq h ILE 361 Cb 0.10 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2pnq h ILE 361 CO -0.01 0.10 0.04 0.58 0.00 0.00 0.00 178.15 178.87 2pnq h VAL 362 N 0.16 1.17 -0.45 1.67 2.07 -0.58 -2.21 116.25 118.08 2pnq h VAL 362 Ca 0.06 -0.53 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2pnq h VAL 362 Cb 0.09 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 2pnq h VAL 362 CO -0.01 0.16 -0.11 1.23 0.02 0.00 0.00 177.57 178.86 2pnq h GLY 363 N 0.03 0.32 1.12 2.17 0.00 -0.27 -1.09 103.07 105.35 2pnq h GLY 363 Ca 0.04 0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 2pnq h GLY 363 CO -0.00 -0.17 -0.06 0.83 0.00 0.00 0.00 176.54 177.14 2pnq h GLU 364 N 0.00 1.03 0.17 4.80 5.08 -1.11 -0.01 114.58 124.53 2pnq h GLU 364 Ca 0.21 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2pnq h GLU 364 Cb 0.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2pnq h GLU 364 CO -0.46 1.04 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.46 2pnq h TYR 365 N 0.93 -0.57 -0.43 4.33 3.20 -0.70 0.58 116.97 124.30 2pnq h TYR 365 Ca 0.15 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2pnq h TYR 365 Cb 0.62 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 2pnq h TYR 365 CO 0.04 -0.32 0.13 -0.07 -1.64 0.00 0.00 178.16 176.31 2pnq h LEU 366 N -0.44 0.58 -0.03 2.82 3.38 -1.17 0.22 115.31 120.67 2pnq h LEU 366 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2pnq h LEU 366 Cb 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2pnq h LEU 366 CO -0.08 0.56 -0.00 0.41 0.09 0.00 0.00 178.44 179.41 2pnq n THR 367 N -4.33 0.00 -1.89 0.22 -1.04 -0.03 -4.90 114.28 102.30 2pnq n THR 367 Ca 0.03 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.87 2pnq n THR 367 Cb 0.18 -0.47 -0.04 0.00 -1.82 0.00 0.00 70.33 68.19 2pnq n THR 367 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pnq n GLY 368 N 1.12 0.63 0.92 3.41 0.00 0.17 -4.89 105.19 106.54 2pnq n GLY 368 Ca 0.20 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2pnq n GLY 368 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2pnq n MET 369 N -2.53 3.07 0.00 1.61 2.81 0.64 -4.55 117.12 118.17 2pnq n MET 369 Ca -0.17 -2.62 0.07 0.00 -1.81 0.00 0.00 57.70 53.17 2pnq n MET 369 Cb 0.58 -1.69 0.42 0.00 -0.71 0.00 0.00 33.22 31.82 2pnq n MET 369 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2pnq n HIS 370 N -0.01 0.00 -3.59 2.03 -0.00 -1.20 -3.15 115.22 109.30 2pnq n HIS 370 Ca 0.19 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.64 2pnq n HIS 370 Cb 0.76 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.66 2pnq n HIS 370 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2pnq n HIS 371 N -0.99 2.03 -3.66 -1.40 8.25 -1.26 -5.03 115.22 113.15 2pnq n HIS 371 Ca 0.11 -3.97 -0.13 0.00 -0.26 0.00 0.00 57.72 53.47 2pnq n HIS 371 Cb 0.05 -0.39 -0.13 0.00 1.12 0.00 0.00 29.99 30.64 2pnq n HIS 371 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2pnq s GLN 372 N -1.37 0.17 0.00 -0.41 2.00 -1.19 -5.18 119.66 113.68 2pnq s GLN 372 Ca 0.32 0.79 0.00 0.00 -2.00 0.00 0.00 55.36 54.46 2pnq s GLN 372 Cb 0.05 0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.87 2pnq s GLN 372 CO -0.13 -0.28 0.00 0.94 -0.50 0.00 0.00 175.29 175.32 2pnq n GLN 373 N 5.35 0.00 -0.05 1.67 -0.06 -1.26 -5.17 117.38 117.86 2pnq n GLN 373 Ca -0.07 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.89 2pnq n GLN 373 Cb 0.50 -0.24 -0.02 0.00 -4.06 0.00 0.00 30.24 26.42 2pnq n GLN 373 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2pnq n GLN 405 N -2.00 0.30 -5.23 3.69 1.13 -1.26 -5.31 117.38 108.71 2pnq n GLN 405 Ca 0.00 0.14 -0.32 0.00 -1.94 0.00 0.00 57.00 54.88 2pnq n GLN 405 Cb 0.00 -1.05 -0.17 0.00 0.11 0.00 0.00 30.24 29.14 2pnq n GLN 405 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2pnq s ASN 406 N -5.07 3.10 0.21 1.08 3.84 -1.26 -5.05 114.94 111.80 2pnq s ASN 406 Ca -0.16 -0.54 -0.09 0.00 0.21 0.00 0.00 52.86 52.28 2pnq s ASN 406 Cb 0.02 -1.24 0.16 0.00 -0.55 0.00 0.00 41.25 39.64 2pnq s ASN 406 CO 0.24 0.19 1.82 0.00 -2.79 0.00 0.00 177.10 176.56 2pnq h ALA 407 N 6.51 1.00 -0.34 1.71 0.00 -1.94 -0.55 119.26 125.64 2pnq h ALA 407 Ca -0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2pnq h ALA 407 Cb 1.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2pnq h ALA 407 CO 0.47 0.52 0.12 0.00 0.00 0.00 0.00 179.25 180.37 2pnq h ALA 408 N 1.22 0.44 -0.77 0.00 0.00 -1.91 -2.08 119.26 116.16 2pnq h ALA 408 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pnq h ALA 408 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2pnq h ALA 408 CO -0.04 0.06 0.50 1.15 0.00 0.00 0.00 179.25 180.91 2pnq h THR 409 N 0.40 1.20 -0.18 0.00 2.02 -1.82 -1.30 112.91 113.23 2pnq h THR 409 Ca 0.11 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.91 2pnq h THR 409 Cb 0.21 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2pnq h THR 409 CO -0.01 0.20 0.08 -0.74 0.37 0.00 0.00 175.52 175.43 2pnq h HIS 410 N 1.05 0.15 -0.41 3.16 6.17 -0.85 -0.43 115.15 124.00 2pnq h HIS 410 Ca 0.28 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.34 2pnq h HIS 410 Cb -0.10 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 2pnq h HIS 410 CO -0.02 0.09 0.15 1.25 0.71 0.00 0.00 177.93 180.11 2pnq h LEU 411 N 0.18 0.59 -1.55 0.26 5.85 -1.11 -2.22 115.31 117.31 2pnq h LEU 411 Ca 0.07 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 2pnq h LEU 411 Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2pnq h LEU 411 CO -0.06 0.62 -0.24 -0.29 -0.34 0.00 0.00 178.44 178.13 2pnq h ILE 412 N 0.52 1.07 0.00 4.05 2.10 -1.04 0.55 117.51 124.77 2pnq h ILE 412 Ca 0.14 -0.84 -0.05 0.00 1.08 0.00 0.00 64.86 65.19 2pnq h ILE 412 Cb 0.23 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 2pnq h ILE 412 CO -0.01 0.23 -0.22 0.03 -1.08 0.00 0.00 178.15 177.10 2pnq h ARG 413 N 0.00 0.00 0.21 2.19 3.08 -0.47 -1.85 114.38 117.55 2pnq h ARG 413 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2pnq h ARG 413 Cb 0.44 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.52 2pnq h ARG 413 CO 0.03 0.22 -1.44 0.45 -1.07 0.00 0.00 179.97 178.16 2pnq h HIS 414 N 0.00 0.82 -0.69 3.04 3.86 -0.67 -0.57 115.15 120.93 2pnq h HIS 414 Ca -0.00 -0.60 -0.03 0.00 -1.16 0.00 0.00 60.37 58.59 2pnq h HIS 414 Cb 0.49 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 2pnq h HIS 414 CO 0.00 1.49 0.33 0.00 0.86 0.00 0.00 177.93 180.61 2pnq h ALA 415 N 0.28 1.27 0.00 2.45 0.00 -0.84 -3.32 119.26 119.10 2pnq h ALA 415 Ca -0.23 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2pnq h ALA 415 Cb 2.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2pnq h ALA 415 CO 0.25 0.56 -0.73 0.28 0.00 0.00 0.00 179.25 179.61 2pnq h VAL 416 N 0.98 0.31 -0.03 0.00 2.07 -1.42 -3.47 116.25 114.68 2pnq h VAL 416 Ca 0.24 -1.39 -0.67 0.00 0.82 0.00 0.00 66.70 65.70 2pnq h VAL 416 Cb 0.11 0.73 0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2pnq h VAL 416 CO -0.03 0.10 3.82 0.61 0.02 0.00 0.00 177.57 182.09 2pnq n GLY 417 N 1.56 4.28 3.62 2.17 0.00 -0.22 -5.10 105.19 111.50 2pnq n GLY 417 Ca -0.15 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 2pnq n GLY 417 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pnq s TYR 443 N 2.09 -0.06 -0.12 1.61 -0.85 -1.26 -4.56 117.35 114.20 2pnq s TYR 443 Ca 0.69 0.03 0.18 0.00 -0.52 0.00 0.00 57.07 57.45 2pnq s TYR 443 Cb 0.18 0.51 0.28 0.00 0.38 0.00 0.00 41.96 43.30 2pnq s TYR 443 CO -0.06 -0.09 1.15 0.54 -1.52 0.00 0.00 175.55 175.56 2pnq n ARG 444 N -0.07 1.43 -3.49 -3.49 1.74 -1.26 -5.04 116.66 106.47 2pnq n ARG 444 Ca 0.03 -2.51 -0.14 0.00 -0.77 0.00 0.00 57.85 54.46 2pnq n ARG 444 Cb 0.57 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.50 2pnq n ARG 444 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pnq s ASP 445 N -2.73 -0.55 0.46 0.55 2.15 -1.26 -5.07 116.67 110.21 2pnq s ASP 445 Ca 0.30 0.35 -0.23 0.00 0.43 0.00 0.00 52.55 53.40 2pnq s ASP 445 Cb 0.26 0.51 -0.09 0.00 -0.30 0.00 0.00 42.92 43.30 2pnq s ASP 445 CO 0.03 -0.69 1.08 0.47 -0.17 0.00 0.00 175.17 175.88 2pnq n ASP 446 N 0.31 1.54 -3.88 -0.34 8.00 -1.26 -4.58 116.55 116.35 2pnq n ASP 446 Ca -0.16 1.01 -0.27 0.00 0.71 0.00 0.00 54.79 56.08 2pnq n ASP 446 Cb 0.60 -1.40 -0.17 0.00 -0.02 0.00 0.00 41.12 40.13 2pnq n ASP 446 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnq s ILE 447 N -1.30 1.00 -0.01 0.53 1.01 -0.41 -3.78 121.20 118.23 2pnq s ILE 447 Ca 0.65 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.87 2pnq s ILE 447 Cb -0.51 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 2pnq s ILE 447 CO 0.55 0.19 -0.14 0.42 0.00 0.00 0.00 174.94 175.96 2pnq s THR 448 N 1.69 1.12 0.00 2.92 -4.23 -1.26 -0.43 115.64 115.45 2pnq s THR 448 Ca 0.02 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2pnq s THR 448 Cb -0.14 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 72.76 2pnq s THR 448 CO -0.08 0.32 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.69 2pnq s ILE 449 N -0.27 0.03 -0.12 2.99 1.01 -0.82 -2.35 121.20 121.66 2pnq s ILE 449 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2pnq s ILE 449 Cb -0.06 -0.04 0.02 0.00 0.01 0.00 0.00 42.46 42.39 2pnq s ILE 449 CO -0.00 -0.01 -0.14 -0.63 0.00 0.00 0.00 174.94 174.16 2pnq s ILE 450 N -0.06 1.45 -0.29 2.92 1.01 0.35 -1.86 121.20 124.73 2pnq s ILE 450 Ca -0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 2pnq s ILE 450 Cb -0.00 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.13 2pnq s ILE 450 CO -0.00 0.44 0.04 -0.69 0.00 0.00 0.00 174.94 174.72 2pnq s VAL 451 N 1.27 3.58 -0.21 2.92 1.01 0.58 -0.44 120.40 129.10 2pnq s VAL 451 Ca -0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2pnq s VAL 451 Cb -0.14 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2pnq s VAL 451 CO -0.06 0.08 0.11 -0.69 0.00 0.00 0.00 175.10 174.54 2pnq s VAL 452 N 1.43 5.09 -0.19 2.92 1.01 0.22 -1.03 120.40 129.85 2pnq s VAL 452 Ca 0.01 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2pnq s VAL 452 Cb -0.17 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2pnq s VAL 452 CO 0.00 0.40 0.02 -1.58 0.00 0.00 0.00 175.10 173.95 2pnq s GLN 453 N 0.74 3.78 0.35 2.72 0.74 -0.07 0.19 119.66 128.11 2pnq s GLN 453 Ca 0.06 -0.44 -0.06 0.00 0.05 0.00 0.00 55.36 54.97 2pnq s GLN 453 Cb -0.13 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 2pnq s GLN 453 CO 0.02 0.15 0.64 -0.06 -0.55 0.00 0.00 175.29 175.48 2pnq s PHE 454 N 0.67 3.49 -0.68 1.67 0.40 -0.12 0.74 117.98 124.13 2pnq s PHE 454 Ca 0.01 0.72 -0.18 0.00 -0.60 0.00 0.00 56.93 56.88 2pnq s PHE 454 Cb -0.14 -2.18 0.13 0.00 0.51 0.00 0.00 43.02 41.34 2pnq s PHE 454 CO 0.02 0.04 0.78 1.21 0.70 0.00 0.00 175.22 177.96 2pnq s ASN 455 N -3.41 6.35 0.54 1.36 3.84 -0.00 -4.49 114.94 119.13 2pnq s ASN 455 Ca 0.46 -1.76 0.20 0.00 0.21 0.00 0.00 52.86 51.97 2pnq s ASN 455 Cb -0.10 -2.30 1.44 0.00 -0.55 0.00 0.00 41.25 39.74 2pnq s ASN 455 CO 0.33 -1.01 2.18 0.28 -2.79 0.00 0.00 177.10 176.09 2pnq h SER 456 N 8.89 0.00 -0.20 -4.21 0.02 -1.87 0.13 113.55 116.31 2pnq h SER 456 Ca -0.16 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.69 2pnq h SER 456 Cb 1.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 2pnq h SER 456 CO 1.04 0.00 -0.30 0.45 -1.14 0.00 0.00 176.83 176.88 2pnq h HIS 457 N 0.00 0.68 -0.08 3.45 3.86 -1.94 -0.08 115.15 121.04 2pnq h HIS 457 Ca -0.00 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 58.96 2pnq h HIS 457 Cb 0.00 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 2pnq h HIS 457 CO 0.00 0.95 -0.02 0.28 0.86 0.00 0.00 177.93 180.00 2pnq h VAL 458 N 0.22 1.30 -0.91 2.45 2.07 -1.69 0.22 116.25 119.91 2pnq h VAL 458 Ca 0.02 -0.95 0.12 0.00 0.82 0.00 0.00 66.70 66.71 2pnq h VAL 458 Cb 0.88 1.77 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 2pnq h VAL 458 CO 0.07 0.27 0.53 0.58 0.02 0.00 0.00 177.57 179.04 2pnq h VAL 459 N -0.18 0.85 -0.56 2.57 2.07 -0.82 0.21 116.25 120.39 2pnq h VAL 459 Ca 0.02 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 2pnq h VAL 459 Cb 0.43 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2pnq h VAL 459 CO 0.01 0.15 0.00 1.23 0.02 0.00 0.00 177.57 178.98 2pnq h GLY 460 N 0.83 1.06 0.60 2.17 0.00 -0.82 -2.02 103.07 104.88 2pnq h GLY 460 Ca 0.46 -0.78 0.05 0.00 0.00 0.00 0.00 47.33 47.06 2pnq h GLY 460 CO -0.29 0.71 0.03 0.00 0.00 0.00 0.00 176.54 176.99 2pnq h ALA 461 N 0.96 0.29 -0.89 3.60 0.00 0.23 -0.47 119.26 122.97 2pnq h ALA 461 Ca 0.16 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2pnq h ALA 461 Cb 0.54 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2pnq h ALA 461 CO 0.03 -0.38 0.56 1.88 0.00 0.00 0.00 179.25 181.33 2pnq h TYR 462 N 0.13 1.03 -0.68 0.00 -1.99 -0.54 -1.77 116.97 113.15 2pnq h TYR 462 Ca 0.14 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.83 2pnq h TYR 462 Cb 0.17 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.54 2pnq h TYR 462 CO -0.19 0.51 0.15 0.37 -0.00 0.00 0.00 178.16 179.00 2pnq h GLN 463 N 1.00 1.10 0.00 4.88 4.15 -0.65 -2.16 115.11 123.44 2pnq h GLN 463 Ca 0.39 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2pnq h GLN 463 Cb 0.20 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2pnq h GLN 463 CO -0.18 0.99 0.00 -0.91 -1.93 0.00 0.00 178.83 176.80 2pnq h ASN 464 N 1.03 0.00 -0.87 -0.69 2.35 -0.21 -2.17 115.58 115.02 2pnq h ASN 464 Ca 0.21 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.35 2pnq h ASN 464 Cb 0.39 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.41 2pnq h ASN 464 CO 0.01 0.00 0.03 0.00 -1.65 0.00 0.00 177.43 175.82 2pnq n GLN 465 N -2.56 3.14 0.05 0.81 6.02 -0.82 -4.22 117.38 119.80 2pnq n GLN 465 Ca 0.00 -3.72 0.00 0.00 -0.01 0.00 0.00 57.00 53.27 2pnq n GLN 465 Cb 0.18 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.16 2pnq n GLN 465 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2pnq n GLU 466 N -0.82 0.00 0.00 -1.09 1.02 -0.86 -5.03 120.64 113.87 2pnq n GLU 466 Ca 0.53 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.82 2pnq n GLU 466 Cb 0.82 -0.16 0.61 0.00 -0.02 0.00 0.00 31.44 32.69 2pnq n GLU 466 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25