#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkx s GLN 5 N 0.00 2.74 0.13 1.61 -0.21 -1.26 -4.77 119.66 117.90 1pkx s GLN 5 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.61 1pkx s GLN 5 Cb 0.00 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1pkx s GLN 5 CO 0.00 -1.00 0.29 -0.51 -2.12 0.00 0.00 175.29 171.95 1pkx s LEU 6 N -5.26 4.31 -0.24 2.90 1.43 -0.17 -0.85 118.68 120.80 1pkx s LEU 6 Ca 0.57 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1pkx s LEU 6 Cb -0.11 -3.03 0.06 0.00 0.03 0.00 0.00 46.19 43.14 1pkx s LEU 6 CO 0.49 0.07 -0.06 0.00 0.23 0.00 0.00 176.35 177.07 1pkx s ALA 7 N -1.69 2.11 -0.11 4.21 0.00 0.24 -0.72 121.76 125.81 1pkx s ALA 7 Ca 0.36 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 1pkx s ALA 7 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1pkx s ALA 7 CO 0.28 -1.21 0.45 -1.17 0.00 0.00 0.00 175.76 174.11 1pkx s LEU 8 N 1.32 4.30 -0.12 0.00 1.98 -0.18 -2.04 118.68 123.95 1pkx s LEU 8 Ca -0.06 0.80 0.02 0.00 -2.89 0.00 0.00 54.13 52.00 1pkx s LEU 8 Cb -0.19 -2.65 0.01 0.00 0.66 0.00 0.00 46.19 44.02 1pkx s LEU 8 CO -0.06 0.05 -0.18 -0.36 -1.89 0.00 0.00 176.35 173.91 1pkx s PHE 9 N 0.38 2.23 -0.36 5.38 0.40 0.23 -1.27 117.98 124.97 1pkx s PHE 9 Ca 0.25 -1.06 0.04 0.00 -0.60 0.00 0.00 56.93 55.56 1pkx s PHE 9 Cb -0.15 -1.56 0.16 0.00 0.51 0.00 0.00 43.02 41.98 1pkx s PHE 9 CO 0.10 -0.51 0.46 0.45 0.70 0.00 0.00 175.22 176.42 1pkx s SER 10 N 0.86 0.20 0.03 1.36 0.15 -0.53 -2.90 113.70 112.86 1pkx s SER 10 Ca -0.08 -1.01 0.05 0.00 0.70 0.00 0.00 55.95 55.60 1pkx s SER 10 Cb -0.15 1.10 -0.02 0.00 -1.71 0.00 0.00 66.02 65.24 1pkx s SER 10 CO -0.00 -0.26 -0.14 0.68 1.20 0.00 0.00 173.24 174.71 1pkx s VAL 11 N 1.87 1.08 -0.08 4.45 -7.23 -1.26 -3.04 120.40 116.18 1pkx s VAL 11 Ca 0.15 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.40 1pkx s VAL 11 Cb -0.11 -0.96 -0.26 0.00 0.56 0.00 0.00 36.38 35.60 1pkx s VAL 11 CO -0.12 0.07 0.50 0.28 -0.31 0.00 0.00 175.10 175.52 1pkx h SER 12 N 5.14 0.35 -3.44 4.85 0.02 -1.85 -3.43 113.55 115.19 1pkx h SER 12 Ca -0.37 -0.72 -0.68 0.00 -0.84 0.00 0.00 61.79 59.18 1pkx h SER 12 Cb 1.18 -0.11 -0.17 0.00 0.14 0.00 0.00 62.40 63.43 1pkx h SER 12 CO 0.45 1.64 0.01 -0.62 -1.14 0.00 0.00 176.83 177.17 1pkx s ASP 13 N -6.87 6.25 0.00 3.07 2.15 -1.26 -4.94 116.67 115.08 1pkx s ASP 13 Ca -0.17 -0.66 0.17 0.00 0.43 0.00 0.00 52.55 52.33 1pkx s ASP 13 Cb 0.07 -2.28 0.86 0.00 -0.30 0.00 0.00 42.92 41.27 1pkx s ASP 13 CO 0.80 -0.77 1.58 0.29 -0.17 0.00 0.00 175.17 176.89 1pkx n LYS 14 N 6.06 1.24 -1.64 4.34 4.01 -1.26 -4.93 118.16 125.97 1pkx n LYS 14 Ca -0.05 -0.36 -0.51 0.00 -0.51 0.00 0.00 58.31 56.88 1pkx n LYS 14 Cb 0.47 -1.29 -0.06 0.00 -0.51 0.00 0.00 35.03 33.64 1pkx n LYS 14 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1pkx n THR 15 N -0.39 0.13 -0.96 -0.18 -1.04 -1.26 -1.70 114.28 108.88 1pkx n THR 15 Ca 0.13 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1pkx n THR 15 Cb 0.14 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1pkx n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pkx n GLY 16 N 3.29 0.15 0.31 3.41 0.00 -1.26 -4.78 105.19 106.31 1pkx n GLY 16 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 1pkx n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pkx h LEU 17 N 0.00 -0.62 -0.36 0.99 5.85 -1.69 -3.08 115.31 116.39 1pkx h LEU 17 Ca 0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1pkx h LEU 17 Cb 0.64 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 1pkx h LEU 17 CO 0.00 -0.42 -0.33 0.58 -0.34 0.00 0.00 178.44 177.93 1pkx h VAL 18 N -0.77 0.23 -0.33 1.05 2.07 -1.91 -1.37 116.25 115.23 1pkx h VAL 18 Ca -0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1pkx h VAL 18 Cb 0.58 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1pkx h VAL 18 CO 0.12 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.56 1pkx h GLU 19 N -0.27 0.36 -0.50 1.57 3.07 -1.98 -1.47 114.58 115.35 1pkx h GLU 19 Ca 0.16 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1pkx h GLU 19 Cb 0.54 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1pkx h GLU 19 CO -0.51 0.24 0.28 0.35 -1.40 0.00 0.00 179.01 177.97 1pkx h PHE 20 N 0.37 0.53 -0.78 4.33 3.57 -1.39 -1.63 116.94 121.93 1pkx h PHE 20 Ca 0.13 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1pkx h PHE 20 Cb 0.02 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1pkx h PHE 20 CO -0.08 0.29 0.50 0.00 -2.23 0.00 0.00 178.31 176.78 1pkx h ALA 21 N 1.24 1.02 -0.07 2.41 0.00 -0.96 -1.64 119.26 121.26 1pkx h ALA 21 Ca 0.21 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1pkx h ALA 21 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1pkx h ALA 21 CO -0.11 0.31 -0.06 0.00 0.00 0.00 0.00 179.25 179.38 1pkx h ARG 22 N 0.97 -0.08 -0.58 0.00 3.08 -0.63 -1.45 114.38 115.69 1pkx h ARG 22 Ca 0.31 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1pkx h ARG 22 Cb 0.01 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1pkx h ARG 22 CO -0.11 -0.05 0.37 -0.91 -1.07 0.00 0.00 179.97 178.20 1pkx h ASN 23 N -0.08 0.68 0.32 7.04 2.35 -0.93 -1.31 115.58 123.66 1pkx h ASN 23 Ca 0.05 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1pkx h ASN 23 Cb 0.15 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1pkx h ASN 23 CO -0.12 0.51 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.76 1pkx h LEU 24 N 0.79 0.03 -0.05 1.61 3.38 -1.11 -1.60 115.31 118.36 1pkx h LEU 24 Ca 0.21 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1pkx h LEU 24 Cb -0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pkx h LEU 24 CO -0.04 0.37 -0.03 0.74 0.09 0.00 0.00 178.44 179.57 1pkx h THR 25 N 0.03 1.33 -0.02 0.22 2.02 -0.82 -1.86 112.91 113.81 1pkx h THR 25 Ca 0.00 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.13 1pkx h THR 25 Cb 0.62 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1pkx h THR 25 CO 0.05 0.29 0.11 0.00 0.37 0.00 0.00 175.52 176.33 1pkx h ALA 26 N 0.60 1.21 -0.01 6.16 0.00 -0.96 0.23 119.26 126.49 1pkx h ALA 26 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pkx h ALA 26 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pkx h ALA 26 CO 0.01 -0.12 -0.20 1.28 0.00 0.00 0.00 179.25 180.22 1pkx n LEU 27 N -3.15 0.92 0.00 0.00 4.77 -0.63 -4.93 117.00 113.98 1pkx n LEU 27 Ca -0.02 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1pkx n LEU 27 Cb 0.18 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1pkx n LEU 27 CO 0.19 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1pkx n GLY 28 N 1.31 0.85 3.86 -0.72 0.00 0.82 -5.05 105.19 106.26 1pkx n GLY 28 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1pkx n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkx s LEU 29 N 0.00 4.31 -0.01 0.99 1.43 -0.75 -4.47 118.68 120.18 1pkx s LEU 29 Ca 0.00 0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 53.85 1pkx s LEU 29 Cb 0.00 -3.21 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 1pkx s LEU 29 CO 0.00 0.10 0.41 0.20 0.23 0.00 0.00 176.35 177.30 1pkx s ASN 30 N -1.87 6.79 0.13 2.29 0.01 -0.03 -4.23 114.94 118.02 1pkx s ASN 30 Ca 0.37 0.94 -0.16 0.00 -0.71 0.00 0.00 52.86 53.30 1pkx s ASN 30 Cb -0.14 -2.25 -0.07 0.00 0.41 0.00 0.00 41.25 39.20 1pkx s ASN 30 CO 0.19 0.29 0.57 -0.76 -1.51 0.00 0.00 177.10 175.88 1pkx s LEU 31 N -0.87 4.39 -0.08 0.60 1.02 -1.26 -0.59 118.68 121.90 1pkx s LEU 31 Ca 0.24 1.15 -0.05 0.00 0.02 0.00 0.00 54.13 55.48 1pkx s LEU 31 Cb -0.16 -3.18 0.03 0.00 0.02 0.00 0.00 46.19 42.89 1pkx s LEU 31 CO 0.13 0.15 0.19 -0.69 0.02 0.00 0.00 176.35 176.14 1pkx s VAL 32 N -1.37 -0.02 0.11 -1.59 1.01 -0.87 -1.88 120.40 115.79 1pkx s VAL 32 Ca 0.36 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 1pkx s VAL 32 Cb -0.16 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1pkx s VAL 32 CO 0.19 0.03 0.32 0.00 0.00 0.00 0.00 175.10 175.64 1pkx s ALA 33 N 0.60 -0.65 0.84 5.51 0.00 -1.01 -0.60 121.76 126.44 1pkx s ALA 33 Ca -0.04 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 1pkx s ALA 33 Cb -0.06 0.60 0.09 0.00 0.00 0.00 0.00 23.12 23.76 1pkx s ALA 33 CO -0.03 -0.58 1.14 -1.54 0.00 0.00 0.00 175.76 174.74 1pkx s SER 34 N -2.80 4.19 0.03 0.00 1.04 -1.14 -2.22 113.70 112.80 1pkx s SER 34 Ca 0.03 1.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 1pkx s SER 34 Cb 0.03 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 1pkx s SER 34 CO -0.11 -2.13 1.10 1.23 0.98 0.00 0.00 173.24 174.31 1pkx h GLY 35 N -1.21 -2.33 0.45 7.32 0.00 -1.98 0.22 103.07 105.55 1pkx h GLY 35 Ca -0.48 1.08 0.08 0.00 0.00 0.00 0.00 47.33 48.00 1pkx h GLY 35 CO 0.63 -0.82 0.15 -1.33 0.00 0.00 0.00 176.54 175.16 1pkx h GLY 36 N -0.01 0.65 1.15 4.60 0.00 -1.96 -1.17 103.07 106.33 1pkx h GLY 36 Ca 0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1pkx h GLY 36 CO -0.17 -0.02 -0.12 -0.84 0.00 0.00 0.00 176.54 175.39 1pkx h THR 37 N 0.31 1.27 -0.42 4.70 2.02 -1.80 -2.79 112.91 116.19 1pkx h THR 37 Ca 0.25 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 1pkx h THR 37 Cb 0.30 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1pkx h THR 37 CO -0.28 0.45 0.17 0.00 0.37 0.00 0.00 175.52 176.22 1pkx h ALA 38 N 0.97 0.55 -0.84 6.16 0.00 -0.15 -2.19 119.26 123.77 1pkx h ALA 38 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pkx h ALA 38 Cb 0.68 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1pkx h ALA 38 CO 0.05 0.15 0.50 -0.22 0.00 0.00 0.00 179.25 179.73 1pkx h LYS 39 N 0.54 1.14 -0.78 0.00 3.64 -1.18 -0.85 116.57 119.07 1pkx h LYS 39 Ca 0.14 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1pkx h LYS 39 Cb 0.19 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1pkx h LYS 39 CO -0.01 0.80 0.49 0.00 -2.27 0.00 0.00 179.45 178.46 1pkx h ALA 40 N 1.39 1.38 -0.06 5.00 0.00 -1.19 -0.94 119.26 124.85 1pkx h ALA 40 Ca 0.30 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1pkx h ALA 40 Cb -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.45 1pkx h ALA 40 CO -0.06 0.54 -0.66 -0.07 0.00 0.00 0.00 179.25 179.01 1pkx h LEU 41 N 1.07 0.68 -0.27 0.00 3.38 -0.76 -3.11 115.31 116.30 1pkx h LEU 41 Ca 0.28 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 57.59 1pkx h LEU 41 Cb -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1pkx h LEU 41 CO -0.06 1.27 0.10 0.03 0.09 0.00 0.00 178.44 179.88 1pkx h ARG 42 N 0.15 0.22 -0.18 1.13 2.47 -0.94 -1.22 114.38 116.01 1pkx h ARG 42 Ca -0.06 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.69 1pkx h ARG 42 Cb 1.32 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.59 1pkx h ARG 42 CO 0.13 0.14 0.15 -0.44 0.56 0.00 0.00 179.97 180.51 1pkx h ASP 43 N 0.22 0.00 -0.03 7.04 3.32 -1.24 0.26 116.42 126.00 1pkx h ASP 43 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1pkx h ASP 43 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1pkx h ASP 43 CO -0.12 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.40 1pkx n ALA 44 N -2.48 2.61 -0.52 3.45 0.00 -0.53 -4.90 120.51 118.14 1pkx n ALA 44 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1pkx n ALA 44 Cb 0.28 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1pkx n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pkx n GLY 45 N 1.03 0.76 3.83 0.00 0.00 0.93 -5.06 105.19 106.68 1pkx n GLY 45 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1pkx n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkx s LEU 46 N 0.00 4.13 0.08 0.99 1.43 -0.79 -4.99 118.68 119.53 1pkx s LEU 46 Ca 0.00 1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 54.26 1pkx s LEU 46 Cb 0.00 -4.05 -0.06 0.00 0.03 0.00 0.00 46.19 42.11 1pkx s LEU 46 CO 0.00 -0.17 0.90 0.00 0.23 0.00 0.00 176.35 177.31 1pkx s ALA 47 N -1.89 3.28 -0.18 4.21 0.00 -1.26 -4.02 121.76 121.90 1pkx s ALA 47 Ca 0.53 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.85 1pkx s ALA 47 Cb -0.12 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.86 1pkx s ALA 47 CO 0.18 -0.01 0.45 0.08 0.00 0.00 0.00 175.76 176.46 1pkx s VAL 48 N 0.05 -0.01 0.29 0.00 1.01 -1.26 -4.56 120.40 115.91 1pkx s VAL 48 Ca 0.45 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1pkx s VAL 48 Cb -0.22 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1pkx s VAL 48 CO 0.28 0.02 0.54 -0.13 0.00 0.00 0.00 175.10 175.81 1pkx s ARG 49 N 0.91 3.61 0.26 2.72 0.52 -0.79 -4.98 118.95 121.19 1pkx s ARG 49 Ca -0.05 -0.05 -0.16 0.00 -0.52 0.00 0.00 55.73 54.95 1pkx s ARG 49 Cb -0.06 -2.66 -0.08 0.00 0.52 0.00 0.00 34.95 32.67 1pkx s ARG 49 CO -0.07 0.22 0.68 -0.51 0.02 0.00 0.00 175.30 175.64 1pkx s ASP 50 N -3.25 6.84 0.36 0.23 1.01 -1.26 -2.40 116.67 118.20 1pkx s ASP 50 Ca 0.43 1.25 0.04 0.00 0.71 0.00 0.00 52.55 54.98 1pkx s ASP 50 Cb -0.11 -2.36 0.70 0.00 1.01 0.00 0.00 42.92 42.16 1pkx s ASP 50 CO 0.31 -0.08 2.00 0.58 0.21 0.00 0.00 175.17 178.19 1pkx h VAL 51 N 2.30 1.11 0.00 -1.27 2.07 -1.81 -0.49 116.25 118.16 1pkx h VAL 51 Ca -0.48 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1pkx h VAL 51 Cb 1.18 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1pkx h VAL 51 CO 0.66 0.14 -0.04 0.77 0.02 0.00 0.00 177.57 179.13 1pkx h SER 52 N 0.79 0.00 0.30 0.57 4.64 -1.87 -1.16 113.55 116.82 1pkx h SER 52 Ca 0.25 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.40 1pkx h SER 52 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1pkx h SER 52 CO -0.07 0.04 -0.70 -0.08 -0.87 0.00 0.00 176.83 175.15 1pkx h GLU 53 N 0.00 0.35 0.01 4.77 4.81 -1.41 0.16 114.58 123.27 1pkx h GLU 53 Ca -0.00 -0.27 -0.20 0.00 -0.13 0.00 0.00 59.36 58.75 1pkx h GLU 53 Cb 0.14 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1pkx h GLU 53 CO 0.00 0.91 -0.96 -0.07 -0.73 0.00 0.00 179.01 178.17 1pkx h LEU 54 N 0.24 0.07 0.01 1.64 3.38 -1.23 -3.38 115.31 116.03 1pkx h LEU 54 Ca -0.02 -0.07 -0.38 0.00 0.09 0.00 0.00 57.88 57.50 1pkx h LEU 54 Cb 1.25 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 1pkx h LEU 54 CO 0.12 0.98 -2.40 0.35 0.09 0.00 0.00 178.44 177.58 1pkx n THR 55 N -3.46 1.47 -0.26 0.22 -2.24 -0.82 -4.83 114.28 104.36 1pkx n THR 55 Ca -0.01 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1pkx n THR 55 Cb 0.89 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1pkx n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkx n GLY 56 N 2.02 0.67 3.18 3.38 0.00 0.55 -4.99 105.19 110.01 1pkx n GLY 56 Ca -0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1pkx n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pkx s PHE 57 N -2.43 2.74 0.67 1.61 0.40 -1.24 -5.05 117.98 114.69 1pkx s PHE 57 Ca 0.00 -1.34 -0.15 0.00 -0.60 0.00 0.00 56.93 54.84 1pkx s PHE 57 Cb 0.00 -1.88 0.01 0.00 0.51 0.00 0.00 43.02 41.66 1pkx s PHE 57 CO 0.00 -0.63 1.13 -2.14 0.70 0.00 0.00 175.22 174.27 1pkx s PRO 58 N 0.98 2.66 0.41 0.24 0.02 -1.26 -4.40 135.00 133.64 1pkx s PRO 58 Ca -0.03 1.46 -0.27 0.00 0.02 0.00 0.00 61.00 62.18 1pkx s PRO 58 Cb -0.15 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1pkx s PRO 58 CO -0.05 -1.37 1.41 -1.21 -0.33 0.00 0.00 177.00 175.45 1pkx s GLU 59 N -4.07 3.95 0.27 5.54 2.02 -1.26 -4.92 118.70 120.23 1pkx s GLU 59 Ca 0.68 2.39 0.03 0.00 0.02 0.00 0.00 54.97 58.09 1pkx s GLU 59 Cb -0.22 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1pkx s GLU 59 CO 0.42 -0.60 0.22 0.00 0.02 0.00 0.00 175.26 175.33 1pkx s MET 60 N -2.23 1.52 -1.45 1.61 0.23 -0.48 -4.88 119.30 113.62 1pkx s MET 60 Ca 0.56 -1.84 -0.07 0.00 -1.03 0.00 0.00 55.69 53.31 1pkx s MET 60 Cb -0.43 0.31 0.05 0.00 -1.53 0.00 0.00 34.83 33.23 1pkx s MET 60 CO 0.57 -0.54 0.76 1.28 -2.03 0.00 0.00 175.02 175.05 1pkx n LEU 61 N -0.47 -2.58 -3.73 0.18 4.77 -1.26 -1.79 117.00 112.12 1pkx n LEU 61 Ca 0.05 -0.86 -0.25 0.00 -0.03 0.00 0.00 56.01 54.92 1pkx n LEU 61 Cb 0.64 -2.48 0.05 0.00 -2.33 0.00 0.00 43.42 39.30 1pkx n LEU 61 CO 0.32 0.42 0.09 0.61 -1.33 0.00 0.00 177.39 177.51 1pkx n GLY 62 N -1.68 -0.43 2.29 -0.72 0.00 -1.26 -2.23 105.19 101.16 1pkx n GLY 62 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pkx n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkx n GLY 63 N -1.66 0.54 0.13 -0.02 0.00 -0.74 -4.90 105.19 98.53 1pkx n GLY 63 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1pkx n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pkx h ARG 64 N 1.24 0.11 -4.23 1.61 3.08 -1.21 -3.41 114.38 111.58 1pkx h ARG 64 Ca 0.00 -0.11 -0.58 0.00 0.07 0.00 0.00 59.98 59.37 1pkx h ARG 64 Cb 0.08 0.03 -0.38 0.00 0.08 0.00 0.00 29.97 29.78 1pkx h ARG 64 CO 0.00 0.82 -0.79 0.08 -1.07 0.00 0.00 179.97 179.01 1pkx s VAL 65 N -3.37 1.27 0.00 2.04 1.01 -1.15 -4.68 120.40 115.53 1pkx s VAL 65 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1pkx s VAL 65 Cb 0.11 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1pkx s VAL 65 CO 0.80 0.03 0.00 0.29 0.00 0.00 0.00 175.10 176.22 1pkx n LYS 66 N 4.80 0.16 -0.12 2.72 5.02 -1.26 -1.38 118.16 128.10 1pkx n LYS 66 Ca -0.12 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.19 1pkx n LYS 66 Cb 0.46 -0.53 0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1pkx n LYS 66 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pkx n THR 67 N -1.01 0.79 -2.73 -0.18 -2.24 -1.26 -4.83 114.28 102.82 1pkx n THR 67 Ca 0.00 -0.89 -0.43 0.00 -2.27 0.00 0.00 64.05 60.46 1pkx n THR 67 Cb 0.03 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1pkx n THR 67 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pkx n LEU 68 N -0.52 5.89 -3.76 3.22 4.77 -1.26 -4.71 117.00 120.63 1pkx n LEU 68 Ca 0.04 -4.61 -0.13 0.00 -0.03 0.00 0.00 56.01 51.28 1pkx n LEU 68 Cb 0.50 -1.53 -0.09 0.00 -2.33 0.00 0.00 43.42 39.96 1pkx n LEU 68 CO 0.00 1.08 0.02 -2.28 -1.33 0.00 0.00 177.39 174.88 1pkx s HIS 69 N 0.66 -0.23 0.49 -1.77 2.46 -1.26 -5.07 115.29 110.58 1pkx s HIS 69 Ca 0.40 0.43 0.23 0.00 0.47 0.00 0.00 55.06 56.58 1pkx s HIS 69 Cb 0.02 0.10 1.28 0.00 -0.13 0.00 0.00 32.58 33.86 1pkx s HIS 69 CO 0.00 -0.34 1.95 -1.35 -2.47 0.00 0.00 174.74 172.54 1pkx h PRO 70 N 4.31 0.15 -0.47 2.88 0.11 -1.98 -0.62 132.00 136.39 1pkx h PRO 70 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1pkx h PRO 70 Cb 1.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1pkx h PRO 70 CO 0.37 0.10 0.30 0.00 -0.21 0.00 0.00 178.00 178.56 1pkx h ALA 71 N 1.68 1.65 0.04 -0.75 0.00 -1.94 0.31 119.26 120.24 1pkx h ALA 71 Ca 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pkx h ALA 71 Cb 1.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1pkx h ALA 71 CO -0.05 0.32 -0.02 0.28 0.00 0.00 0.00 179.25 179.78 1pkx h VAL 72 N 0.64 0.62 0.00 0.00 2.07 -1.43 -3.13 116.25 115.01 1pkx h VAL 72 Ca 0.17 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 1pkx h VAL 72 Cb -0.06 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1pkx h VAL 72 CO -0.04 0.20 -0.32 0.45 0.02 0.00 0.00 177.57 177.89 1pkx h HIS 73 N -0.99 0.00 -0.16 1.57 3.86 -1.33 -2.24 115.15 115.86 1pkx h HIS 73 Ca -0.01 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 1pkx h HIS 73 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1pkx h HIS 73 CO 0.09 0.32 -0.71 0.00 0.86 0.00 0.00 177.93 178.49 1pkx h ALA 74 N 1.68 0.45 0.00 2.45 0.00 -0.56 0.16 119.26 123.44 1pkx h ALA 74 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1pkx h ALA 74 Cb 0.84 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pkx h ALA 74 CO 0.04 0.71 -0.10 0.78 0.00 0.00 0.00 179.25 180.67 1pkx h GLY 75 N 0.82 0.00 0.42 0.00 0.00 -1.40 -0.06 103.07 102.86 1pkx h GLY 75 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.96 1pkx h GLY 75 CO 0.14 0.00 -1.89 1.39 0.00 0.00 0.00 176.54 176.18 1pkx n ILE 76 N -4.03 1.70 0.17 2.60 5.41 -0.88 -0.73 119.36 123.60 1pkx n ILE 76 Ca -0.02 -0.50 0.10 0.00 1.00 0.00 0.00 62.75 63.32 1pkx n ILE 76 Cb 0.19 -1.79 0.09 0.00 -0.71 0.00 0.00 39.64 37.43 1pkx n ILE 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1pkx h LEU 77 N -0.20 0.00 -9.79 1.39 3.38 -0.60 -3.46 115.31 106.04 1pkx h LEU 77 Ca -0.43 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 1pkx h LEU 77 Cb 1.85 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.69 1pkx h LEU 77 CO -0.00 0.10 0.90 0.00 0.09 0.00 0.00 178.44 179.52 1pkx n ALA 78 N -2.15 2.60 -2.19 1.53 0.00 -0.04 -5.00 120.51 115.26 1pkx n ALA 78 Ca 0.02 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.63 1pkx n ALA 78 Cb 0.58 -2.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 1pkx n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pkx s ARG 79 N -0.39 2.53 -1.02 0.00 0.52 -1.26 -5.03 118.95 114.30 1pkx s ARG 79 Ca 0.65 -1.55 -0.15 0.00 -0.52 0.00 0.00 55.73 54.15 1pkx s ARG 79 Cb -0.49 -2.43 0.18 0.00 0.52 0.00 0.00 34.95 32.73 1pkx s ARG 79 CO 0.47 -0.31 1.15 1.21 0.02 0.00 0.00 175.30 177.85 1pkx s ASN 80 N -4.23 6.87 0.02 0.23 3.84 -1.26 -4.44 114.94 115.97 1pkx s ASN 80 Ca 0.49 -2.64 -0.10 0.00 0.21 0.00 0.00 52.86 50.82 1pkx s ASN 80 Cb -0.04 -2.34 0.01 0.00 -0.55 0.00 0.00 41.25 38.32 1pkx s ASN 80 CO 0.29 -0.78 0.20 0.27 -2.79 0.00 0.00 177.10 174.28 1pkx s ILE 81 N 1.41 0.09 0.00 -5.21 -4.36 -1.26 -5.03 121.20 106.83 1pkx s ILE 81 Ca 0.33 -0.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.98 1pkx s ILE 81 Cb -0.06 -0.69 0.00 0.00 1.25 0.00 0.00 42.46 42.97 1pkx s ILE 81 CO -0.06 -0.41 0.50 -0.81 0.24 0.00 0.00 174.94 174.40 1pkx n PRO 82 N 1.06 0.00 -0.31 0.37 -0.04 -1.26 -1.31 135.00 133.51 1pkx n PRO 82 Ca -0.21 0.50 0.15 0.00 -0.04 0.00 0.00 63.50 63.91 1pkx n PRO 82 Cb 0.57 -0.83 0.40 0.00 -0.04 0.00 0.00 33.50 33.61 1pkx n PRO 82 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1pkx h GLU 83 N 0.00 0.60 0.31 0.54 9.09 -1.98 0.11 114.58 123.25 1pkx h GLU 83 Ca 0.00 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 59.36 1pkx h GLU 83 Cb 0.00 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 26.97 1pkx h GLU 83 CO 0.00 0.40 -0.15 -0.44 0.05 0.00 0.00 179.01 178.87 1pkx h ASP 84 N 0.62 -0.35 -0.53 3.06 5.19 -1.60 0.10 116.42 122.92 1pkx h ASP 84 Ca 0.52 -0.13 0.04 0.00 -0.62 0.00 0.00 57.03 56.85 1pkx h ASP 84 Cb 1.00 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 1pkx h ASP 84 CO -0.28 -0.07 0.35 0.78 -3.12 0.00 0.00 179.24 176.90 1pkx h ASN 85 N -0.64 0.49 -0.48 6.45 2.35 -0.57 -0.36 115.58 122.82 1pkx h ASN 85 Ca -0.04 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1pkx h ASN 85 Cb 0.46 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1pkx h ASN 85 CO 0.07 0.33 -0.03 0.00 -1.65 0.00 0.00 177.43 176.16 1pkx h ALA 86 N 1.70 0.65 -0.04 -0.83 0.00 -0.49 -2.19 119.26 118.06 1pkx h ALA 86 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1pkx h ALA 86 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pkx h ALA 86 CO -0.06 0.49 0.00 -0.44 0.00 0.00 0.00 179.25 179.24 1pkx h ASP 87 N 0.73 0.07 -0.29 0.00 3.32 0.34 -1.93 116.42 118.66 1pkx h ASP 87 Ca 0.13 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1pkx h ASP 87 Cb 0.55 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1pkx h ASP 87 CO 0.03 0.34 0.20 0.24 -1.72 0.00 0.00 179.24 178.34 1pkx h MET 88 N -0.21 0.09 0.10 3.56 2.86 -1.07 0.09 114.93 120.35 1pkx h MET 88 Ca 0.01 -0.01 -0.29 0.00 -2.06 0.00 0.00 59.70 57.36 1pkx h MET 88 Cb 0.31 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 31.97 1pkx h MET 88 CO 0.00 0.06 -1.20 0.00 1.06 0.00 0.00 176.91 176.83 1pkx h ALA 89 N 1.85 0.05 0.15 6.32 0.00 -1.29 0.40 119.26 126.74 1pkx h ALA 89 Ca 0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1pkx h ALA 89 Cb 0.41 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pkx h ALA 89 CO -0.01 0.73 -0.07 -0.09 0.00 0.00 0.00 179.25 179.80 1pkx h ARG 90 N 0.27 -0.19 0.00 0.00 2.43 -0.40 -2.52 114.38 113.96 1pkx h ARG 90 Ca -0.17 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1pkx h ARG 90 Cb 1.87 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.46 1pkx h ARG 90 CO 0.23 -0.04 0.00 1.28 -1.51 0.00 0.00 179.97 179.92 1pkx n LEU 91 N -5.13 0.43 -2.95 3.80 7.99 -0.10 -4.93 117.00 116.11 1pkx n LEU 91 Ca -0.09 0.55 -0.14 0.00 -0.01 0.00 0.00 56.01 56.33 1pkx n LEU 91 Cb 0.14 -0.43 0.07 0.00 -0.11 0.00 0.00 43.42 43.09 1pkx n LEU 91 CO 0.34 -0.16 0.09 -0.67 -1.51 0.00 0.00 177.39 175.48 1pkx n ASP 92 N -1.92 -2.12 -4.57 -1.43 2.03 0.45 -5.02 116.55 103.98 1pkx n ASP 92 Ca 0.06 -0.50 -0.34 0.00 0.52 0.00 0.00 54.79 54.53 1pkx n ASP 92 Cb 0.35 -4.21 -0.11 0.00 -0.72 0.00 0.00 41.12 36.44 1pkx n ASP 92 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1pkx s PHE 93 N -3.29 3.07 0.46 -0.67 0.08 0.11 -5.00 117.98 112.74 1pkx s PHE 93 Ca 0.01 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 56.86 1pkx s PHE 93 Cb -0.01 -1.89 -0.06 0.00 -0.57 0.00 0.00 43.02 40.49 1pkx s PHE 93 CO 0.58 0.16 0.84 0.54 -0.10 0.00 0.00 175.22 177.25 1pkx s ASN 94 N -0.12 6.47 0.32 1.36 2.20 -1.26 -4.72 114.94 119.20 1pkx s ASN 94 Ca 0.03 1.22 -0.21 0.00 -0.94 0.00 0.00 52.86 52.96 1pkx s ASN 94 Cb -0.13 -2.36 -0.10 0.00 -2.00 0.00 0.00 41.25 36.66 1pkx s ASN 94 CO 0.02 -0.51 0.84 -0.76 -2.94 0.00 0.00 177.10 173.76 1pkx s LEU 95 N -4.15 4.18 -0.24 3.54 1.43 -1.26 -4.52 118.68 117.65 1pkx s LEU 95 Ca 0.53 1.57 -0.08 0.00 -1.03 0.00 0.00 54.13 55.11 1pkx s LEU 95 Cb -0.10 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 1pkx s LEU 95 CO 0.36 -0.15 0.10 -0.63 0.23 0.00 0.00 176.35 176.25 1pkx s ILE 96 N -1.82 4.67 -0.20 -0.59 1.01 0.09 -1.00 121.20 123.37 1pkx s ILE 96 Ca 0.52 -0.05 0.15 0.00 0.00 0.00 0.00 60.65 61.26 1pkx s ILE 96 Cb -0.14 -3.17 -0.23 0.00 0.01 0.00 0.00 42.46 38.93 1pkx s ILE 96 CO 0.19 0.35 0.02 -1.14 0.00 0.00 0.00 174.94 174.35 1pkx n ARG 97 N 4.59 0.78 -4.96 2.79 0.63 0.10 -4.62 116.66 115.97 1pkx n ARG 97 Ca -0.16 0.02 -0.27 0.00 -0.92 0.00 0.00 57.85 56.52 1pkx n ARG 97 Cb 0.52 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.77 1pkx n ARG 97 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1pkx s VAL 98 N -2.48 1.57 -0.12 5.15 1.01 -1.21 -1.28 120.40 123.04 1pkx s VAL 98 Ca -0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1pkx s VAL 98 Cb 0.06 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1pkx s VAL 98 CO 0.76 0.45 -0.07 -0.69 0.00 0.00 0.00 175.10 175.55 1pkx s VAL 99 N -0.33 1.00 -0.25 2.92 1.01 -0.07 -1.01 120.40 123.67 1pkx s VAL 99 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1pkx s VAL 99 Cb -0.09 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1pkx s VAL 99 CO 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 175.10 175.37 1pkx s ALA 100 N 1.71 2.75 -0.16 5.51 0.00 -0.39 -0.34 121.76 130.84 1pkx s ALA 100 Ca 0.04 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 1pkx s ALA 100 Cb -0.13 -1.73 0.05 0.00 0.00 0.00 0.00 23.12 21.30 1pkx s ALA 100 CO -0.08 -0.75 0.43 0.00 0.00 0.00 0.00 175.76 175.36 1pkx s ASN 102 N 0.47 2.44 0.21 0.00 0.01 -1.17 -4.06 114.94 112.85 1pkx s ASN 102 Ca -0.02 -0.88 0.06 0.00 -0.71 0.00 0.00 52.86 51.30 1pkx s ASN 102 Cb -0.04 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 1pkx s ASN 102 CO -0.02 -0.10 0.20 -0.76 -1.51 0.00 0.00 177.10 174.91 1pkx s LEU 103 N -2.75 3.92 0.14 0.60 1.43 -1.26 -3.70 118.68 117.06 1pkx s LEU 103 Ca 0.15 -0.13 -0.34 0.00 -1.03 0.00 0.00 54.13 52.78 1pkx s LEU 103 Cb -0.04 -2.48 -0.16 0.00 0.03 0.00 0.00 46.19 43.53 1pkx s LEU 103 CO 0.05 0.00 1.13 -1.22 0.23 0.00 0.00 176.35 176.54 1pkx n TYR 104 N -0.86 1.11 -0.92 0.29 4.01 -1.26 -4.72 117.16 114.80 1pkx n TYR 104 Ca -0.08 0.74 -0.44 0.00 -0.16 0.00 0.00 57.90 57.97 1pkx n TYR 104 Cb 0.56 -2.24 -0.08 0.00 -0.31 0.00 0.00 39.34 37.28 1pkx n TYR 104 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1pkx n PRO 105 N 1.76 0.98 0.27 -0.72 -0.04 -1.26 -4.73 135.00 131.26 1pkx n PRO 105 Ca 0.16 -1.55 -0.15 0.00 -0.04 0.00 0.00 63.50 61.93 1pkx n PRO 105 Cb 0.22 -2.77 -0.08 0.00 -0.04 0.00 0.00 33.50 30.83 1pkx n PRO 105 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1pkx h PHE 106 N 8.61 -0.64 -0.67 0.54 3.57 -1.85 -1.51 116.94 124.99 1pkx h PHE 106 Ca 0.37 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.98 1pkx h PHE 106 Cb 0.67 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.53 1pkx h PHE 106 CO 1.17 -0.32 0.16 0.28 -2.23 0.00 0.00 178.31 177.37 1pkx h VAL 107 N -0.93 0.59 -0.26 1.41 2.07 -1.93 -0.13 116.25 117.06 1pkx h VAL 107 Ca -0.07 -0.09 -0.16 0.00 0.82 0.00 0.00 66.70 67.20 1pkx h VAL 107 Cb 0.61 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1pkx h VAL 107 CO 0.12 0.05 -0.48 0.11 0.02 0.00 0.00 177.57 177.38 1pkx h LYS 108 N 0.27 0.69 -0.68 1.57 1.57 -1.96 -2.47 116.57 115.56 1pkx h LYS 108 Ca 0.36 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pkx h LYS 108 Cb 0.57 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1pkx h LYS 108 CO -0.45 1.01 0.43 1.15 -0.57 0.00 0.00 179.45 181.02 1pkx h THR 109 N 0.54 1.18 0.00 -0.16 2.02 -0.02 -2.42 112.91 114.06 1pkx h THR 109 Ca 0.03 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1pkx h THR 109 Cb 1.04 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1pkx h THR 109 CO 0.10 0.18 -0.09 -0.37 0.37 0.00 0.00 175.52 175.71 1pkx h VAL 110 N 0.92 0.00 0.00 3.16 -1.51 -1.07 -2.96 116.25 114.78 1pkx h VAL 110 Ca 0.25 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1pkx h VAL 110 Cb -0.07 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1pkx h VAL 110 CO -0.05 0.00 -0.04 0.00 -1.23 0.00 0.00 177.57 176.25 1pkx h ALA 111 N 2.42 0.98 -2.68 5.19 0.00 -1.04 -3.47 119.26 120.65 1pkx h ALA 111 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1pkx h ALA 111 Cb 0.79 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.67 1pkx h ALA 111 CO 0.00 0.00 0.45 -1.12 0.00 0.00 0.00 179.25 178.58 1pkx s SER 112 N -5.03 5.63 0.34 0.00 0.01 -0.95 -4.99 113.70 108.72 1pkx s SER 112 Ca 0.09 2.27 -0.29 0.00 1.31 0.00 0.00 55.95 59.33 1pkx s SER 112 Cb 0.10 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 1pkx s SER 112 CO 0.63 -1.29 1.39 -2.84 0.41 0.00 0.00 173.24 171.54 1pkx s PRO 113 N -3.21 4.26 -1.57 12.44 0.02 -1.26 -3.29 135.00 142.38 1pkx s PRO 113 Ca 0.73 2.36 -0.15 0.00 0.02 0.00 0.00 61.00 63.96 1pkx s PRO 113 Cb -0.27 -3.04 0.10 0.00 0.02 0.00 0.00 34.50 31.32 1pkx s PRO 113 CO 0.30 -0.34 0.95 0.41 -0.33 0.00 0.00 177.00 177.98 1pkx n GLY 114 N 0.86 -0.49 3.75 0.52 0.00 -1.26 -4.94 105.19 103.64 1pkx n GLY 114 Ca 0.01 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1pkx n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkx s VAL 115 N -3.30 4.11 0.25 1.61 0.11 -1.21 -5.05 120.40 116.92 1pkx s VAL 115 Ca 0.68 2.07 0.06 0.00 -2.93 0.00 0.00 61.98 61.86 1pkx s VAL 115 Cb -0.35 -4.32 -0.03 0.00 -1.53 0.00 0.00 36.38 30.15 1pkx s VAL 115 CO 0.85 0.49 0.27 0.42 -3.33 0.00 0.00 175.10 173.80 1pkx s THR 116 N -1.11 4.82 0.26 5.04 -4.23 -1.26 -5.00 115.64 114.16 1pkx s THR 116 Ca 0.41 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1pkx s THR 116 Cb -0.26 -3.61 0.26 0.00 1.34 0.00 0.00 72.50 70.23 1pkx s THR 116 CO 0.32 -0.34 1.88 0.58 -0.54 0.00 0.00 174.62 176.52 1pkx h VAL 117 N 1.35 1.09 -0.45 2.29 2.07 -1.99 -1.66 116.25 118.94 1pkx h VAL 117 Ca -0.50 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1pkx h VAL 117 Cb 1.23 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1pkx h VAL 117 CO 0.61 0.21 0.23 -0.33 0.02 0.00 0.00 177.57 178.31 1pkx h GLU 118 N 1.16 0.44 -0.55 1.57 3.07 -1.99 0.67 114.58 118.95 1pkx h GLU 118 Ca 0.42 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.15 1pkx h GLU 118 Cb 0.15 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1pkx h GLU 118 CO -0.17 0.29 -0.07 0.93 -1.40 0.00 0.00 179.01 178.59 1pkx h GLU 119 N 0.46 1.02 -0.15 2.33 5.08 -1.85 -2.53 114.58 118.92 1pkx h GLU 119 Ca 0.20 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1pkx h GLU 119 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1pkx h GLU 119 CO -0.14 1.05 0.06 0.00 -1.00 0.00 0.00 179.01 178.98 1pkx h ALA 120 N 0.94 0.20 -0.94 3.43 0.00 -0.82 -2.96 119.26 119.12 1pkx h ALA 120 Ca 0.15 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1pkx h ALA 120 Cb 0.63 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1pkx h ALA 120 CO 0.04 -0.21 0.61 0.28 0.00 0.00 0.00 179.25 179.96 1pkx h VAL 121 N 0.10 1.05 0.00 0.00 2.07 -0.81 0.18 116.25 118.84 1pkx h VAL 121 Ca 0.05 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1pkx h VAL 121 Cb 0.17 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1pkx h VAL 121 CO -0.00 0.19 0.00 1.21 0.02 0.00 0.00 177.57 178.99 1pkx n GLU 122 N -4.51 0.09 -0.64 1.57 4.07 -0.96 -1.95 120.64 118.31 1pkx n GLU 122 Ca 0.15 0.32 0.10 0.00 -0.06 0.00 0.00 57.16 57.66 1pkx n GLU 122 Cb 0.22 -1.67 0.37 0.00 -0.06 0.00 0.00 31.44 30.30 1pkx n GLU 122 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1pkx n GLN 123 N -1.83 3.83 -3.02 5.31 1.13 0.05 -4.85 117.38 118.00 1pkx n GLN 123 Ca 0.03 -2.93 -0.43 0.00 -1.94 0.00 0.00 57.00 51.73 1pkx n GLN 123 Cb 0.20 -1.93 -0.06 0.00 0.11 0.00 0.00 30.24 28.57 1pkx n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1pkx s ILE 124 N -1.88 4.73 0.01 5.09 1.01 -0.82 -4.12 121.20 125.21 1pkx s ILE 124 Ca 0.52 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 1pkx s ILE 124 Cb 0.34 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1pkx s ILE 124 CO 0.25 -0.61 1.16 -0.62 0.00 0.00 0.00 174.94 175.12 1pkx s ASP 125 N 2.03 7.12 -0.08 3.58 -1.08 -1.26 -4.95 116.67 122.03 1pkx s ASP 125 Ca 0.27 1.88 -0.11 0.00 -0.52 0.00 0.00 52.55 54.08 1pkx s ASP 125 Cb -0.13 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.72 1pkx s ASP 125 CO 0.20 -0.48 -0.21 -0.38 0.52 0.00 0.00 175.17 174.82 1pkx n ILE 126 N 4.18 1.29 -0.25 4.11 2.08 -1.26 -4.47 119.36 125.04 1pkx n ILE 126 Ca 0.09 0.24 -0.02 0.00 0.56 0.00 0.00 62.75 63.62 1pkx n ILE 126 Cb 0.47 -2.02 0.16 0.00 -0.75 0.00 0.00 39.64 37.49 1pkx n ILE 126 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1pkx h GLY 127 N -0.60 1.16 1.06 7.39 0.00 -1.93 -2.77 103.07 107.38 1pkx h GLY 127 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 1pkx h GLY 127 CO 0.00 0.51 0.25 -1.33 0.00 0.00 0.00 176.54 175.97 1pkx h GLY 128 N 1.12 1.25 1.04 4.60 0.00 -1.94 -0.71 103.07 108.43 1pkx h GLY 128 Ca 0.27 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1pkx h GLY 128 CO -0.04 0.68 0.48 -2.08 0.00 0.00 0.00 176.54 175.58 1pkx h VAL 129 N 1.12 1.26 -0.18 4.60 2.07 -1.72 -2.11 116.25 121.29 1pkx h VAL 129 Ca 0.25 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.96 1pkx h VAL 129 Cb 0.29 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1pkx h VAL 129 CO -0.01 0.30 -0.46 0.74 0.02 0.00 0.00 177.57 178.16 1pkx h THR 130 N 1.26 1.32 -0.17 2.57 2.02 -1.17 -1.26 112.91 117.47 1pkx h THR 130 Ca 0.31 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1pkx h THR 130 Cb 0.05 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1pkx h THR 130 CO -0.05 0.51 0.10 -0.07 0.37 0.00 0.00 175.52 176.38 1pkx h LEU 131 N 0.37 0.22 -0.03 2.58 3.38 -0.84 0.79 115.31 121.79 1pkx h LEU 131 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pkx h LEU 131 Cb 0.95 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1pkx h LEU 131 CO 0.08 0.24 0.02 -0.07 0.09 0.00 0.00 178.44 178.80 1pkx h LEU 132 N 0.18 0.03 -0.42 1.67 3.38 -1.26 -1.50 115.31 117.39 1pkx h LEU 132 Ca 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1pkx h LEU 132 Cb 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1pkx h LEU 132 CO -0.01 0.04 0.16 0.03 0.09 0.00 0.00 178.44 178.76 1pkx h ARG 133 N 0.02 0.63 -0.53 1.13 3.08 -1.15 0.58 114.38 118.14 1pkx h ARG 133 Ca 0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1pkx h ARG 133 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1pkx h ARG 133 CO -0.00 0.59 0.25 0.00 -1.07 0.00 0.00 179.97 179.74 1pkx h ALA 134 N 1.01 0.69 -0.46 0.04 0.00 -0.77 -0.55 119.26 119.22 1pkx h ALA 134 Ca 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1pkx h ALA 134 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1pkx h ALA 134 CO -0.01 0.26 0.11 0.00 0.00 0.00 0.00 179.25 179.61 1pkx h ALA 135 N 1.09 0.60 -0.39 0.00 0.00 -1.13 -1.96 119.26 117.47 1pkx h ALA 135 Ca 0.18 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1pkx h ALA 135 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pkx h ALA 135 CO -0.02 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.50 1pkx h ALA 136 N 0.98 0.53 -0.80 0.00 0.00 -0.77 -2.46 119.26 116.74 1pkx h ALA 136 Ca 0.14 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1pkx h ALA 136 Cb 0.32 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1pkx h ALA 136 CO 0.00 0.32 0.46 -0.22 0.00 0.00 0.00 179.25 179.81 1pkx h LYS 137 N 0.53 0.79 -1.01 0.00 3.64 -0.94 -1.58 116.57 117.99 1pkx h LYS 137 Ca 0.11 -0.05 -0.42 0.00 -1.27 0.00 0.00 60.65 59.03 1pkx h LYS 137 Cb 0.49 -0.18 -0.24 0.00 -0.41 0.00 0.00 32.23 31.89 1pkx h LYS 137 CO 0.02 0.52 0.53 -1.71 -2.27 0.00 0.00 179.45 176.54 1pkx n ASN 138 N -4.72 3.78 0.09 4.20 5.15 -0.75 -4.58 115.26 118.42 1pkx n ASN 138 Ca 0.12 -3.28 0.06 0.00 -0.60 0.00 0.00 54.58 50.87 1pkx n ASN 138 Cb 0.23 -0.78 0.30 0.00 -0.53 0.00 0.00 39.78 39.00 1pkx n ASN 138 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pkx n HIS 139 N -0.78 0.37 0.30 1.20 1.44 -0.60 -1.07 115.22 116.08 1pkx n HIS 139 Ca 0.48 0.20 0.15 0.00 -2.01 0.00 0.00 57.72 56.53 1pkx n HIS 139 Cb 1.39 -0.77 0.92 0.00 0.12 0.00 0.00 29.99 31.64 1pkx n HIS 139 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pkx h ALA 140 N 1.85 1.49 0.00 1.59 0.00 -1.85 -3.32 119.26 119.01 1pkx h ALA 140 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pkx h ALA 140 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pkx h ALA 140 CO 0.00 0.01 -0.77 -2.13 0.00 0.00 0.00 179.25 176.36 1pkx n ARG 141 N -3.80 0.32 -3.39 0.00 0.63 -0.23 -5.00 116.66 105.19 1pkx n ARG 141 Ca -0.03 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.52 1pkx n ARG 141 Cb 0.09 -0.89 -0.06 0.00 0.45 0.00 0.00 32.46 32.06 1pkx n ARG 141 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1pkx s VAL 142 N -1.77 4.89 -0.33 5.15 1.01 -0.60 -4.96 120.40 123.79 1pkx s VAL 142 Ca 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 1pkx s VAL 142 Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1pkx s VAL 142 CO 0.00 0.55 0.23 -0.89 0.00 0.00 0.00 175.10 174.99 1pkx s THR 143 N -1.11 5.29 -0.14 3.92 2.01 -0.40 -4.28 115.64 120.92 1pkx s THR 143 Ca 0.27 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1pkx s THR 143 Cb -0.18 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1pkx s THR 143 CO 0.16 0.04 -0.03 0.54 -0.69 0.00 0.00 174.62 174.64 1pkx s VAL 144 N 1.74 3.96 -0.22 3.82 0.11 -1.26 -0.89 120.40 127.65 1pkx s VAL 144 Ca 0.06 -0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1pkx s VAL 144 Cb -0.17 -2.72 0.06 0.00 -1.53 0.00 0.00 36.38 32.02 1pkx s VAL 144 CO 0.11 0.51 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.66 1pkx s VAL 145 N 0.15 1.30 -2.03 2.04 1.01 0.54 -4.66 120.40 118.74 1pkx s VAL 145 Ca -0.01 -1.06 0.18 0.00 0.00 0.00 0.00 61.98 61.10 1pkx s VAL 145 Cb -0.14 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 34.72 1pkx s VAL 145 CO 0.03 -0.11 1.01 0.00 0.00 0.00 0.00 175.10 176.03 1pkx s GLU 147 N -1.71 1.99 0.43 0.00 2.02 -1.26 -4.65 118.70 115.51 1pkx s GLU 147 Ca 0.19 -0.44 0.20 0.00 0.02 0.00 0.00 54.97 54.94 1pkx s GLU 147 Cb 0.15 -1.88 1.15 0.00 0.10 0.00 0.00 34.13 33.65 1pkx s GLU 147 CO 0.31 -0.23 1.82 -1.35 0.02 0.00 0.00 175.26 175.83 1pkx h PRO 148 N 8.03 0.34 -0.04 0.39 0.11 -1.90 -0.92 132.00 138.01 1pkx h PRO 148 Ca -0.34 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.76 1pkx h PRO 148 Cb 1.14 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1pkx h PRO 148 CO 0.48 0.23 0.06 0.93 -0.21 0.00 0.00 178.00 179.48 1pkx h GLU 149 N 0.35 0.00 -0.00 1.05 5.08 -1.95 -2.10 114.58 117.00 1pkx h GLU 149 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1pkx h GLU 149 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1pkx h GLU 149 CO -0.20 0.00 -0.23 -0.25 -1.00 0.00 0.00 179.01 177.33 1pkx n ASP 150 N -3.59 0.25 0.08 1.42 8.00 -0.35 -4.23 116.55 118.13 1pkx n ASP 150 Ca -0.02 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.46 1pkx n ASP 150 Cb 0.14 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1pkx n ASP 150 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1pkx h TYR 151 N 0.04 -0.68 -0.63 1.24 0.05 -1.52 -1.28 116.97 114.18 1pkx h TYR 151 Ca 0.00 0.02 0.13 0.00 0.05 0.00 0.00 58.73 58.92 1pkx h TYR 151 Cb 0.49 0.30 -0.09 0.00 1.01 0.00 0.00 36.73 38.43 1pkx h TYR 151 CO 0.00 -0.35 0.12 -0.24 -1.05 0.00 0.00 178.16 176.64 1pkx h VAL 152 N -0.42 0.59 -0.68 -2.88 3.04 -1.79 0.95 116.25 115.05 1pkx h VAL 152 Ca 0.05 -0.08 0.01 0.00 -1.01 0.00 0.00 66.70 65.66 1pkx h VAL 152 Cb 0.48 0.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.05 1pkx h VAL 152 CO -0.19 0.04 0.45 0.58 -1.01 0.00 0.00 177.57 177.44 1pkx h VAL 153 N 0.24 1.17 -0.31 1.51 2.07 -1.66 -0.92 116.25 118.37 1pkx h VAL 153 Ca 0.34 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1pkx h VAL 153 Cb 0.53 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1pkx h VAL 153 CO -0.44 0.17 -0.05 0.58 0.02 0.00 0.00 177.57 177.84 1pkx h VAL 154 N 0.93 1.27 0.46 2.57 2.07 -0.06 -2.57 116.25 120.92 1pkx h VAL 154 Ca 0.25 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1pkx h VAL 154 Cb -0.11 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1pkx h VAL 154 CO -0.05 0.34 -0.41 0.28 0.02 0.00 0.00 177.57 177.75 1pkx h SER 155 N 0.36 -1.11 -0.56 0.57 0.02 -0.64 -0.20 113.55 111.99 1pkx h SER 155 Ca 0.08 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1pkx h SER 155 Cb 0.52 0.36 -0.11 0.00 0.14 0.00 0.00 62.40 63.31 1pkx h SER 155 CO 0.03 -0.56 -0.35 0.74 -1.14 0.00 0.00 176.83 175.54 1pkx h THR 156 N -0.86 0.16 -0.90 -2.27 2.02 -1.21 0.48 112.91 110.33 1pkx h THR 156 Ca -0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1pkx h THR 156 Cb 0.73 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1pkx h THR 156 CO -0.02 0.00 0.59 -0.08 0.37 0.00 0.00 175.52 176.38 1pkx h GLU 157 N -0.19 1.14 -0.18 6.66 4.81 -1.35 0.28 114.58 125.75 1pkx h GLU 157 Ca 0.21 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1pkx h GLU 157 Cb 0.55 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1pkx h GLU 157 CO -0.66 0.75 -0.41 0.52 -0.73 0.00 0.00 179.01 178.48 1pkx h MET 158 N 1.17 0.59 0.97 1.92 2.86 0.78 -2.89 114.93 120.34 1pkx h MET 158 Ca 0.34 -0.40 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1pkx h MET 158 Cb -0.06 0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1pkx h MET 158 CO -0.09 1.02 -0.49 1.96 1.06 0.00 0.00 176.91 180.37 1pkx h GLN 159 N 0.26 -1.28 -1.96 1.72 4.20 0.17 -2.88 115.11 115.33 1pkx h GLN 159 Ca -0.00 0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1pkx h GLN 159 Cb 1.02 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 29.05 1pkx h GLN 159 CO 0.09 -0.86 -0.09 -1.13 -0.67 0.00 0.00 178.83 176.17 1pkx n SER 160 N -5.67 5.45 -4.02 1.46 3.41 0.06 -4.77 113.62 109.55 1pkx n SER 160 Ca -0.17 -2.53 -0.26 0.00 -0.26 0.00 0.00 58.87 55.66 1pkx n SER 160 Cb 0.53 -1.24 -0.17 0.00 -0.26 0.00 0.00 64.21 63.08 1pkx n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pkx s SER 161 N 1.78 2.01 0.00 4.04 0.01 -1.09 -4.89 113.70 115.56 1pkx s SER 161 Ca 0.30 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1pkx s SER 161 Cb 0.15 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1pkx s SER 161 CO -0.01 0.01 0.49 -0.62 0.41 0.00 0.00 173.24 173.52 1pkx n GLU 162 N 4.04 0.00 0.00 12.44 -0.58 -1.26 -0.91 120.64 134.37 1pkx n GLU 162 Ca -0.21 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1pkx n GLU 162 Cb 0.51 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1pkx n GLU 162 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1pkx n SER 163 N -0.99 0.53 -3.45 1.62 3.41 -1.26 -5.01 113.62 108.48 1pkx n SER 163 Ca 0.00 -0.98 -0.25 0.00 -0.26 0.00 0.00 58.87 57.39 1pkx n SER 163 Cb 0.00 0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1pkx n SER 163 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1pkx n LYS 164 N -0.02 -5.87 -4.21 4.33 0.00 -0.09 -4.96 118.16 107.34 1pkx n LYS 164 Ca 0.00 0.76 -0.16 0.00 -0.00 0.00 0.00 58.31 58.91 1pkx n LYS 164 Cb 0.11 -5.68 -0.08 0.00 -0.00 0.00 0.00 35.03 29.38 1pkx n LYS 164 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1pkx s ASP 165 N -3.04 1.11 0.59 -5.58 2.15 -1.25 -4.91 116.67 105.75 1pkx s ASP 165 Ca 0.49 -1.59 0.02 0.00 0.43 0.00 0.00 52.55 51.90 1pkx s ASP 165 Cb -0.23 0.54 0.07 0.00 -0.30 0.00 0.00 42.92 43.00 1pkx s ASP 165 CO 0.60 -1.07 0.83 0.42 -0.17 0.00 0.00 175.17 175.78 1pkx s THR 166 N -3.54 2.48 0.37 1.71 -4.23 -1.26 -4.11 115.64 107.05 1pkx s THR 166 Ca 0.38 -0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1pkx s THR 166 Cb 0.03 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 1pkx s THR 166 CO 0.22 0.00 0.59 -0.94 -0.54 0.00 0.00 174.62 173.95 1pkx s SER 167 N -4.54 6.29 0.21 3.99 1.04 -1.26 -4.98 113.70 114.45 1pkx s SER 167 Ca 0.60 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 57.50 1pkx s SER 167 Cb -0.08 -2.07 0.16 0.00 0.10 0.00 0.00 66.02 64.12 1pkx s SER 167 CO 0.40 -0.34 1.79 0.25 0.98 0.00 0.00 173.24 176.31 1pkx h LEU 168 N 0.68 1.08 -1.90 2.42 5.85 -1.94 -1.73 115.31 119.78 1pkx h LEU 168 Ca -0.49 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 1pkx h LEU 168 Cb 1.22 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1pkx h LEU 168 CO 0.61 0.94 -0.11 -0.33 -0.34 0.00 0.00 178.44 179.22 1pkx h GLU 169 N 1.15 0.00 0.10 1.25 4.39 -1.98 0.24 114.58 119.72 1pkx h GLU 169 Ca 0.27 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.68 1pkx h GLU 169 Cb 0.18 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1pkx h GLU 169 CO -0.03 0.11 -1.20 1.15 -1.16 0.00 0.00 179.01 177.88 1pkx h THR 170 N 0.00 1.30 -0.03 1.13 2.02 -1.77 -2.64 112.91 112.92 1pkx h THR 170 Ca -0.00 -2.47 -0.11 0.00 0.77 0.00 0.00 66.41 64.60 1pkx h THR 170 Cb 0.21 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1pkx h THR 170 CO 0.01 0.75 -0.47 0.03 0.37 0.00 0.00 175.52 176.22 1pkx h ARG 171 N 0.28 0.08 -0.25 6.66 3.08 -0.44 -1.13 114.38 122.65 1pkx h ARG 171 Ca -0.17 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 1pkx h ARG 171 Cb 1.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.92 1pkx h ARG 171 CO 0.23 0.53 -0.12 0.00 -1.07 0.00 0.00 179.97 179.54 1pkx h ARG 172 N 0.07 0.52 -0.29 0.04 3.08 -0.59 -0.22 114.38 116.98 1pkx h ARG 172 Ca 0.00 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 1pkx h ARG 172 Cb 0.86 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1pkx h ARG 172 CO 0.06 0.78 -0.21 0.37 -1.07 0.00 0.00 179.97 179.90 1pkx h GLN 173 N 0.24 0.53 -0.24 0.04 -0.00 -1.31 -1.86 115.11 112.51 1pkx h GLN 173 Ca 0.05 -0.19 -0.19 0.00 -0.00 0.00 0.00 58.65 58.32 1pkx h GLN 173 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.07 1pkx h GLN 173 CO 0.04 0.72 -0.60 -0.07 0.00 0.00 0.00 178.83 178.91 1pkx h LEU 174 N 0.48 0.90 -0.53 -2.39 3.38 -1.10 -2.18 115.31 113.87 1pkx h LEU 174 Ca 0.07 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1pkx h LEU 174 Cb 0.63 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1pkx h LEU 174 CO 0.05 1.30 0.20 0.00 0.09 0.00 0.00 178.44 180.07 1pkx h ALA 175 N 0.71 0.69 -0.68 1.53 0.00 -0.88 -0.85 119.26 119.79 1pkx h ALA 175 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1pkx h ALA 175 Cb 1.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1pkx h ALA 175 CO 0.13 0.31 0.44 1.25 0.00 0.00 0.00 179.25 181.38 1pkx h LEU 176 N 0.72 0.74 -0.62 0.00 5.85 -1.30 -1.20 115.31 119.50 1pkx h LEU 176 Ca 0.17 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1pkx h LEU 176 Cb 0.22 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1pkx h LEU 176 CO -0.01 0.53 0.38 0.11 -0.34 0.00 0.00 178.44 179.11 1pkx h LYS 177 N 0.88 0.72 0.17 1.25 1.57 -0.99 -1.98 116.57 118.19 1pkx h LYS 177 Ca 0.26 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1pkx h LYS 177 Cb -0.06 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1pkx h LYS 177 CO -0.07 0.48 -0.08 0.00 -0.57 0.00 0.00 179.45 179.20 1pkx h ALA 178 N 1.27 -0.22 -0.07 3.86 0.00 -0.14 -0.02 119.26 123.93 1pkx h ALA 178 Ca 0.25 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1pkx h ALA 178 Cb 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1pkx h ALA 178 CO -0.10 -0.62 -0.36 0.74 0.00 0.00 0.00 179.25 178.91 1pkx h PHE 179 N -0.23 0.16 -0.50 0.00 0.04 -1.21 -0.34 116.94 114.87 1pkx h PHE 179 Ca -0.02 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 1pkx h PHE 179 Cb 0.17 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1pkx h PHE 179 CO -0.07 0.49 -0.05 1.15 -0.60 0.00 0.00 178.31 179.23 1pkx h THR 180 N 0.13 1.26 0.22 -1.55 2.02 -1.18 0.27 112.91 114.07 1pkx h THR 180 Ca 0.01 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1pkx h THR 180 Cb 0.69 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1pkx h THR 180 CO 0.05 0.40 -0.10 -0.74 0.37 0.00 0.00 175.52 175.49 1pkx h HIS 181 N 0.80 -0.27 -0.15 3.16 -0.00 -0.24 -1.16 115.15 117.29 1pkx h HIS 181 Ca 0.14 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.41 1pkx h HIS 181 Cb 0.55 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1pkx h HIS 181 CO 0.03 -0.02 -0.34 1.79 -0.00 0.00 0.00 177.93 179.39 1pkx h THR 182 N -0.49 1.28 -0.10 6.26 1.35 -0.94 -1.38 112.91 118.90 1pkx h THR 182 Ca -0.03 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1pkx h THR 182 Cb 0.37 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1pkx h THR 182 CO 0.05 0.41 0.06 0.00 -0.25 0.00 0.00 175.52 175.80 1pkx h ALA 183 N 1.39 0.12 -0.45 6.62 0.00 -0.32 -2.15 119.26 124.47 1pkx h ALA 183 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1pkx h ALA 183 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1pkx h ALA 183 CO 0.06 -0.38 -0.01 1.96 0.00 0.00 0.00 179.25 180.87 1pkx h GLN 184 N 0.13 0.75 0.52 0.00 1.08 -1.00 -1.74 115.11 114.86 1pkx h GLN 184 Ca 0.04 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1pkx h GLN 184 Cb -0.01 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1pkx h GLN 184 CO -0.01 0.77 -0.29 -0.92 -0.95 0.00 0.00 178.83 177.43 1pkx h TYR 185 N 0.70 -0.76 -0.01 2.96 3.20 -0.97 -0.81 116.97 121.29 1pkx h TYR 185 Ca 0.14 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1pkx h TYR 185 Cb 0.45 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1pkx h TYR 185 CO 0.02 -0.45 -0.25 -0.44 -1.64 0.00 0.00 178.16 175.40 1pkx h ASP 186 N -0.76 0.02 -0.46 -2.11 5.19 -1.38 -0.68 116.42 116.24 1pkx h ASP 186 Ca -0.07 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1pkx h ASP 186 Cb 0.60 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1pkx h ASP 186 CO 0.09 0.27 0.23 -0.08 -3.12 0.00 0.00 179.24 176.63 1pkx h GLU 187 N 0.02 0.66 -0.41 3.56 4.57 -0.96 0.11 114.58 122.13 1pkx h GLU 187 Ca 0.00 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1pkx h GLU 187 Cb 0.45 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1pkx h GLU 187 CO 0.03 0.55 0.13 0.00 -1.18 0.00 0.00 179.01 178.54 1pkx h ALA 188 N 1.07 0.54 -0.12 2.92 0.00 -0.42 -1.66 119.26 121.59 1pkx h ALA 188 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pkx h ALA 188 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pkx h ALA 188 CO -0.02 0.19 0.06 0.82 0.00 0.00 0.00 179.25 180.30 1pkx h ILE 189 N 0.52 1.00 -0.21 0.00 2.04 -0.81 -1.07 117.51 118.98 1pkx h ILE 189 Ca 0.13 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1pkx h ILE 189 Cb 0.27 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1pkx h ILE 189 CO -0.00 0.02 -0.14 0.77 0.00 0.00 0.00 178.15 178.80 1pkx h SER 190 N 0.13 0.33 -0.26 1.72 4.64 -0.70 -2.17 113.55 117.25 1pkx h SER 190 Ca 0.05 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1pkx h SER 190 Cb 0.01 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1pkx h SER 190 CO -0.04 0.50 -0.18 -0.78 -0.87 0.00 0.00 176.83 175.47 1pkx h ASP 191 N 0.33 0.71 -0.11 4.97 3.58 -0.97 0.30 116.42 125.22 1pkx h ASP 191 Ca 0.06 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 1pkx h ASP 191 Cb 0.44 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1pkx h ASP 191 CO 0.03 0.89 0.01 0.22 -2.88 0.00 0.00 179.24 177.50 1pkx h TYR 192 N 0.63 0.20 0.00 0.28 3.20 -0.70 -1.59 116.97 118.99 1pkx h TYR 192 Ca 0.10 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1pkx h TYR 192 Cb 0.65 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1pkx h TYR 192 CO 0.03 0.41 -0.24 0.74 -1.64 0.00 0.00 178.16 177.46 1pkx h PHE 193 N -0.06 0.00 -0.25 -3.82 0.04 -1.30 0.14 116.94 111.69 1pkx h PHE 193 Ca 0.03 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 1pkx h PHE 193 Cb 0.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1pkx h PHE 193 CO 0.02 0.24 -0.22 0.00 -0.60 0.00 0.00 178.31 177.75 1pkx h ARG 194 N 0.00 0.58 -0.43 1.51 3.08 -0.71 0.25 114.38 118.67 1pkx h ARG 194 Ca -0.00 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.64 1pkx h ARG 194 Cb 0.60 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1pkx h ARG 194 CO 0.03 0.89 -0.19 0.87 -1.07 0.00 0.00 179.97 180.50 1pkx h LYS 195 N 0.29 0.83 0.15 0.04 1.57 -0.67 0.14 116.57 118.93 1pkx h LYS 195 Ca 0.04 -0.32 -0.31 0.00 -1.87 0.00 0.00 60.65 58.19 1pkx h LYS 195 Cb 0.77 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 33.06 1pkx h LYS 195 CO 0.06 0.95 -1.30 1.96 -0.57 0.00 0.00 179.45 180.55 1pkx h GLN 196 N 0.73 0.59 -0.00 3.15 1.08 -0.73 -3.37 115.11 116.56 1pkx h GLN 196 Ca 0.11 -0.84 0.00 0.00 -1.45 0.00 0.00 58.65 56.47 1pkx h GLN 196 Cb 0.71 0.29 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1pkx h GLN 196 CO 0.05 1.39 -0.44 0.66 -0.95 0.00 0.00 178.83 179.54 1pkx n TYR 197 N -3.76 0.00 -1.73 2.96 4.01 0.07 -4.69 117.16 114.02 1pkx n TYR 197 Ca -0.14 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.66 1pkx n TYR 197 Cb 1.01 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 40.17 1pkx n TYR 197 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1pkx n SER 198 N -1.10 1.49 -4.68 7.72 2.88 0.03 -5.00 113.62 114.96 1pkx n SER 198 Ca 0.02 -3.08 -0.44 0.00 -1.33 0.00 0.00 58.87 54.05 1pkx n SER 198 Cb 0.16 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.17 1pkx n SER 198 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1pkx n LYS 199 N -0.69 2.58 -0.88 -1.46 4.81 -1.21 -0.43 118.16 120.88 1pkx n LYS 199 Ca 0.13 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 1pkx n LYS 199 Cb 0.78 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 33.03 1pkx n LYS 199 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pkx n GLY 200 N 4.12 1.07 0.53 3.14 0.00 0.30 -4.84 105.19 109.50 1pkx n GLY 200 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1pkx n GLY 200 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pkx n VAL 201 N -2.00 0.00 0.42 1.61 0.31 0.43 -4.84 118.33 114.25 1pkx n VAL 201 Ca 0.00 0.16 0.07 0.00 -0.01 0.00 0.00 64.34 64.57 1pkx n VAL 201 Cb 0.00 -1.12 0.09 0.00 -0.91 0.00 0.00 33.84 31.91 1pkx n VAL 201 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1pkx n SER 202 N -2.31 2.45 -3.83 4.52 3.41 -0.85 -1.02 113.62 115.99 1pkx n SER 202 Ca 0.00 -1.70 -0.14 0.00 -0.26 0.00 0.00 58.87 56.76 1pkx n SER 202 Cb 0.00 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 1pkx n SER 202 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1pkx s GLN 203 N -1.17 0.09 -0.15 4.33 -0.44 -1.04 -2.01 119.66 119.26 1pkx s GLN 203 Ca 0.20 0.06 -0.03 0.00 -2.50 0.00 0.00 55.36 53.10 1pkx s GLN 203 Cb 0.13 -0.22 0.05 0.00 -1.64 0.00 0.00 33.01 31.33 1pkx s GLN 203 CO 0.19 -0.07 0.03 1.41 0.50 0.00 0.00 175.29 177.35 1pkx s MET 204 N 0.56 0.58 0.37 1.67 1.75 0.92 0.11 119.30 125.25 1pkx s MET 204 Ca -0.05 -0.22 -0.27 0.00 -1.25 0.00 0.00 55.69 53.90 1pkx s MET 204 Cb -0.07 -1.73 -0.09 0.00 2.84 0.00 0.00 34.83 35.77 1pkx s MET 204 CO -0.01 -0.54 1.23 -2.14 -0.65 0.00 0.00 175.02 172.91 1pkx s PRO 205 N 1.92 4.20 0.12 4.11 0.02 -1.26 -1.04 135.00 143.06 1pkx s PRO 205 Ca 0.01 2.02 0.10 0.00 0.02 0.00 0.00 61.00 63.16 1pkx s PRO 205 Cb -0.15 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 1pkx s PRO 205 CO -0.07 -0.25 -0.25 -0.51 -0.33 0.00 0.00 177.00 175.58 1pkx s LEU 206 N -2.14 2.38 0.40 -5.54 1.43 -0.41 -4.90 118.68 109.91 1pkx s LEU 206 Ca 0.53 -0.69 0.13 0.00 -1.03 0.00 0.00 54.13 53.07 1pkx s LEU 206 Cb -0.35 -1.29 0.96 0.00 0.03 0.00 0.00 46.19 45.54 1pkx s LEU 206 CO 0.46 0.19 1.90 0.08 0.23 0.00 0.00 176.35 179.21 1pkx h ARG 207 N 3.95 0.51 -1.79 1.70 0.11 -1.85 -3.37 114.38 113.65 1pkx h ARG 207 Ca -0.50 -0.03 0.35 0.00 0.10 0.00 0.00 59.98 59.90 1pkx h ARG 207 Cb 1.17 -0.11 -0.09 0.00 1.11 0.00 0.00 29.97 32.04 1pkx h ARG 207 CO 0.41 0.34 0.91 1.52 0.10 0.00 0.00 179.97 183.24 1pkx s TYR 208 N -5.51 0.00 0.00 4.08 -0.85 -1.26 -4.87 117.35 108.94 1pkx s TYR 208 Ca -0.09 -0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 1pkx s TYR 208 Cb 0.21 0.54 0.00 0.00 0.38 0.00 0.00 41.96 43.10 1pkx s TYR 208 CO 0.77 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 175.00 1pkx n GLY 209 N -0.75 1.04 0.37 5.49 0.00 0.34 -4.05 105.19 107.63 1pkx n GLY 209 Ca -0.01 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.33 1pkx n GLY 209 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1pkx h MET 210 N 0.00 0.72 -4.61 1.61 1.85 -1.95 -3.41 114.93 109.13 1pkx h MET 210 Ca 0.00 -0.04 -0.22 0.00 -0.61 0.00 0.00 59.70 58.82 1pkx h MET 210 Cb 0.00 -0.16 -0.16 0.00 0.43 0.00 0.00 31.60 31.71 1pkx h MET 210 CO 0.00 0.47 -0.70 -0.80 -0.40 0.00 0.00 176.91 175.48 1pkx s ASN 211 N -5.72 1.05 0.29 1.39 0.01 -1.26 -4.90 114.94 105.80 1pkx s ASN 211 Ca -0.10 -0.93 0.04 0.00 -0.71 0.00 0.00 52.86 51.16 1pkx s ASN 211 Cb 0.22 0.09 0.74 0.00 0.41 0.00 0.00 41.25 42.72 1pkx s ASN 211 CO 0.79 -0.43 1.67 -0.65 -1.51 0.00 0.00 177.10 176.97 1pkx h PRO 212 N 3.24 0.29 0.00 -0.60 0.11 -1.95 -0.87 132.00 132.22 1pkx h PRO 212 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1pkx h PRO 212 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pkx h PRO 212 CO 0.61 0.19 0.00 -2.39 -0.21 0.00 0.00 178.00 176.20 1pkx n HIS 213 N -5.13 0.00 -3.34 0.65 1.44 -1.26 -4.43 115.22 103.15 1pkx n HIS 213 Ca 0.22 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.48 1pkx n HIS 213 Cb 0.69 -0.08 -0.00 0.00 0.12 0.00 0.00 29.99 30.72 1pkx n HIS 213 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1pkx s GLN 214 N -2.15 4.10 0.11 -1.40 -0.21 -0.33 -5.00 119.66 114.76 1pkx s GLN 214 Ca 0.25 -3.09 0.09 0.00 0.02 0.00 0.00 55.36 52.63 1pkx s GLN 214 Cb 0.13 -4.53 -0.04 0.00 1.00 0.00 0.00 33.01 29.57 1pkx s GLN 214 CO 0.23 -1.25 -0.22 0.95 -2.12 0.00 0.00 175.29 172.89 1pkx s THR 215 N -1.02 1.77 0.67 -0.19 -4.23 -1.26 -0.51 115.64 110.88 1pkx s THR 215 Ca 0.28 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1pkx s THR 215 Cb -0.10 -1.61 0.14 0.00 1.34 0.00 0.00 72.50 72.27 1pkx s THR 215 CO -0.08 -0.05 0.92 -0.81 -0.54 0.00 0.00 174.62 174.06 1pkx n PRO 216 N 1.06 -0.28 -3.71 3.99 -0.04 -1.26 -5.06 135.00 129.69 1pkx n PRO 216 Ca -0.19 -2.17 -0.13 0.00 -0.04 0.00 0.00 63.50 60.98 1pkx n PRO 216 Cb 0.53 -0.72 -0.07 0.00 -0.04 0.00 0.00 33.50 33.21 1pkx n PRO 216 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pkx s ALA 217 N -3.34 -0.86 0.18 0.55 0.00 -1.26 -4.73 121.76 112.31 1pkx s ALA 217 Ca 0.58 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 1pkx s ALA 217 Cb -0.03 0.28 0.05 0.00 0.00 0.00 0.00 23.12 23.41 1pkx s ALA 217 CO 0.39 -0.40 0.57 1.14 0.00 0.00 0.00 175.76 177.46 1pkx s GLN 218 N -2.26 1.36 -0.01 0.00 -2.07 -1.26 -1.28 119.66 114.14 1pkx s GLN 218 Ca -0.07 -0.70 0.08 0.00 -1.82 0.00 0.00 55.36 52.85 1pkx s GLN 218 Cb -0.02 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.44 1pkx s GLN 218 CO -0.01 -0.59 -0.26 -1.17 -1.32 0.00 0.00 175.29 171.94 1pkx s LEU 219 N -2.82 2.06 0.15 2.60 2.96 -0.21 -4.93 118.68 118.49 1pkx s LEU 219 Ca 0.05 -0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.24 1pkx s LEU 219 Cb -0.01 -1.33 0.06 0.00 0.50 0.00 0.00 46.19 45.41 1pkx s LEU 219 CO -0.07 0.31 0.74 -0.72 -1.32 0.00 0.00 176.35 175.30 1pkx s TYR 220 N -0.62 -0.36 0.12 5.38 -0.85 -1.26 -0.06 117.35 119.70 1pkx s TYR 220 Ca 0.10 0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.76 1pkx s TYR 220 Cb -0.10 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1pkx s TYR 220 CO -0.01 -0.88 -0.06 -0.08 -1.52 0.00 0.00 175.55 173.01 1pkx s THR 221 N -3.59 0.73 -2.40 -3.49 -1.32 -0.85 -5.02 115.64 99.69 1pkx s THR 221 Ca 0.06 -1.96 0.27 0.00 -1.21 0.00 0.00 61.69 58.85 1pkx s THR 221 Cb -0.02 -1.78 0.38 0.00 -1.51 0.00 0.00 72.50 69.58 1pkx s THR 221 CO -0.05 -0.79 1.57 0.18 -2.21 0.00 0.00 174.62 173.32 1pkx n LEU 222 N -0.09 1.72 -4.91 9.08 4.77 -1.26 -4.85 117.00 121.45 1pkx n LEU 222 Ca -0.11 -0.56 -0.28 0.00 -0.03 0.00 0.00 56.01 55.03 1pkx n LEU 222 Cb 0.61 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.74 1pkx n LEU 222 CO 0.31 0.29 0.68 -1.10 -1.33 0.00 0.00 177.39 176.25 1pkx s GLN 223 N -2.14 2.36 0.42 3.23 -1.52 -1.26 -4.98 119.66 115.76 1pkx s GLN 223 Ca 0.32 0.03 0.09 0.00 -1.95 0.00 0.00 55.36 53.85 1pkx s GLN 223 Cb 0.20 -2.09 0.89 0.00 -0.22 0.00 0.00 33.01 31.79 1pkx s GLN 223 CO 0.38 -1.23 2.03 -1.35 -0.25 0.00 0.00 175.29 174.87 1pkx h PRO 224 N -0.69 0.38 -3.55 2.91 0.11 -1.97 -3.45 132.00 125.74 1pkx h PRO 224 Ca -0.45 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 1pkx h PRO 224 Cb 1.30 -0.08 -0.23 0.00 0.11 0.00 0.00 31.00 32.11 1pkx h PRO 224 CO 0.63 0.32 -0.54 0.21 -0.21 0.00 0.00 178.00 178.40 1pkx s LYS 225 N -5.21 0.36 0.46 1.05 2.20 -1.26 -4.03 119.74 113.31 1pkx s LYS 225 Ca -0.07 -0.25 -0.23 0.00 -0.36 0.00 0.00 55.97 55.06 1pkx s LYS 225 Cb 0.17 0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 36.56 1pkx s LYS 225 CO 0.72 -0.08 1.16 -0.51 -0.36 0.00 0.00 175.35 176.29 1pkx s LEU 226 N -0.95 4.01 0.00 5.43 1.43 -0.19 -4.91 118.68 123.50 1pkx s LEU 226 Ca -0.10 2.30 0.28 0.00 -1.03 0.00 0.00 54.13 55.58 1pkx s LEU 226 Cb -0.06 -4.25 1.49 0.00 0.03 0.00 0.00 46.19 43.41 1pkx s LEU 226 CO 0.01 -0.91 1.99 -0.81 0.23 0.00 0.00 176.35 176.86 1pkx n PRO 227 N -0.50 0.52 -4.15 1.29 -0.04 -1.26 -4.76 135.00 126.11 1pkx n PRO 227 Ca 0.07 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.20 1pkx n PRO 227 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 1pkx n PRO 227 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pkx s ILE 228 N -2.43 4.82 -0.08 0.52 1.01 -1.26 -1.99 121.20 121.79 1pkx s ILE 228 Ca 0.31 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.88 1pkx s ILE 228 Cb 0.19 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.58 1pkx s ILE 228 CO 0.41 0.57 -0.15 0.42 0.00 0.00 0.00 174.94 176.18 1pkx s THR 229 N -0.99 1.41 -0.26 2.92 -4.23 -0.76 -4.97 115.64 108.76 1pkx s THR 229 Ca 0.16 -0.63 -0.24 0.00 -1.18 0.00 0.00 61.69 59.80 1pkx s THR 229 Cb -0.12 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 1pkx s THR 229 CO 0.05 0.42 0.79 -0.69 -0.54 0.00 0.00 174.62 174.65 1pkx s VAL 230 N 0.68 4.85 -0.14 2.29 1.01 -1.26 -1.22 120.40 126.62 1pkx s VAL 230 Ca -0.13 1.43 0.18 0.00 0.00 0.00 0.00 61.98 63.45 1pkx s VAL 230 Cb -0.16 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 1pkx s VAL 230 CO 0.04 -0.09 0.36 0.18 0.00 0.00 0.00 175.10 175.59 1pkx n LEU 231 N 5.99 0.28 -3.70 3.92 4.77 0.03 -4.99 117.00 123.31 1pkx n LEU 231 Ca 0.04 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 1pkx n LEU 231 Cb 0.48 0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.78 1pkx n LEU 231 CO 0.47 0.34 0.12 0.21 -1.33 0.00 0.00 177.39 177.20 1pkx s ASN 232 N -5.47 -0.30 0.68 -1.43 2.47 -1.16 -4.95 114.94 104.78 1pkx s ASN 232 Ca -0.08 0.24 0.00 0.00 0.42 0.00 0.00 52.86 53.44 1pkx s ASN 232 Cb 0.08 0.37 0.00 0.00 -1.45 0.00 0.00 41.25 40.25 1pkx s ASN 232 CO 0.84 -0.48 0.00 0.61 -3.72 0.00 0.00 177.10 174.35 1pkx n GLY 233 N 1.20 0.29 3.06 1.21 0.00 -1.16 -1.19 105.19 108.60 1pkx n GLY 233 Ca -0.21 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 1pkx n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkx s ALA 234 N -1.68 -1.13 0.44 4.61 0.00 -1.26 -4.90 121.76 117.84 1pkx s ALA 234 Ca 0.00 1.17 -0.26 0.00 0.00 0.00 0.00 51.96 52.87 1pkx s ALA 234 Cb 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 23.12 21.51 1pkx s ALA 234 CO 0.00 -1.05 1.44 -1.25 0.00 0.00 0.00 175.76 174.90 1pkx s PRO 235 N 2.58 3.75 0.64 0.00 0.04 -1.26 -4.96 135.00 135.79 1pkx s PRO 235 Ca 0.07 2.44 0.06 0.00 0.04 0.00 0.00 61.00 63.62 1pkx s PRO 235 Cb -0.14 -2.71 0.11 0.00 0.04 0.00 0.00 34.50 31.80 1pkx s PRO 235 CO -0.14 -0.77 0.88 0.20 0.04 0.00 0.00 177.00 177.20 1pkx s GLY 236 N -0.45 1.72 0.08 0.56 0.00 -1.26 -4.72 107.32 103.24 1pkx s GLY 236 Ca 0.60 -2.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.04 1pkx s GLY 236 CO 0.57 -1.54 1.55 -2.75 0.00 0.00 0.00 173.10 170.93 1pkx h PHE 237 N -0.10 0.33 -0.07 1.90 3.04 -1.80 -2.15 116.94 118.09 1pkx h PHE 237 Ca -0.31 -0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.46 1pkx h PHE 237 Cb 1.28 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.69 1pkx h PHE 237 CO 0.20 0.45 -0.59 0.82 -2.02 0.00 0.00 178.31 177.18 1pkx h ILE 238 N 0.11 1.39 -0.81 1.41 2.04 -1.91 -2.36 117.51 117.38 1pkx h ILE 238 Ca 0.06 -1.96 0.14 0.00 1.00 0.00 0.00 64.86 64.09 1pkx h ILE 238 Cb 0.30 1.99 -0.09 0.00 -0.74 0.00 0.00 36.82 38.28 1pkx h ILE 238 CO 0.00 0.58 0.39 0.78 0.00 0.00 0.00 178.15 179.91 1pkx h ASN 239 N 0.16 0.46 0.23 1.72 -0.26 -1.90 -0.39 115.58 115.60 1pkx h ASN 239 Ca -0.00 0.09 -0.19 0.00 -0.56 0.00 0.00 56.30 55.64 1pkx h ASN 239 Cb 1.09 0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 38.37 1pkx h ASN 239 CO 0.09 0.20 -0.73 -0.07 -1.06 0.00 0.00 177.43 175.86 1pkx h LEU 240 N 0.58 0.52 -0.55 1.61 3.38 -0.99 -0.47 115.31 119.39 1pkx h LEU 240 Ca 0.44 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pkx h LEU 240 Cb 0.60 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1pkx h LEU 240 CO -0.36 1.08 0.34 0.00 0.09 0.00 0.00 178.44 179.60 1pkx h ASP 242 N 0.74 -0.24 -0.39 0.00 3.32 -1.04 -3.03 116.42 115.78 1pkx h ASP 242 Ca 0.20 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 57.08 1pkx h ASP 242 Cb -0.04 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1pkx h ASP 242 CO -0.04 0.13 0.01 0.00 -1.72 0.00 0.00 179.24 177.62 1pkx h ALA 243 N 0.03 0.37 -0.36 3.45 0.00 -1.00 0.12 119.26 121.87 1pkx h ALA 243 Ca -0.03 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1pkx h ALA 243 Cb 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pkx h ALA 243 CO 0.05 -0.39 -0.30 -0.07 0.00 0.00 0.00 179.25 178.54 1pkx h LEU 244 N 0.11 0.80 -0.23 0.00 3.38 -1.38 0.15 115.31 118.14 1pkx h LEU 244 Ca 0.19 -0.32 -0.22 0.00 0.09 0.00 0.00 57.88 57.63 1pkx h LEU 244 Cb 0.27 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1pkx h LEU 244 CO -0.32 1.04 -0.85 0.78 0.09 0.00 0.00 178.44 179.19 1pkx h ASN 245 N 0.65 0.64 -0.57 -0.43 2.35 -1.39 -2.95 115.58 113.89 1pkx h ASN 245 Ca 0.07 -0.46 -0.10 0.00 -0.55 0.00 0.00 56.30 55.27 1pkx h ASN 245 Cb 0.83 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1pkx h ASN 245 CO 0.07 1.24 -0.02 0.00 -1.65 0.00 0.00 177.43 177.07 1pkx h ALA 246 N 0.74 0.77 -0.85 -0.83 0.00 -0.63 -2.22 119.26 116.23 1pkx h ALA 246 Ca -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1pkx h ALA 246 Cb 1.46 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1pkx h ALA 246 CO 0.15 0.62 0.48 2.35 0.00 0.00 0.00 179.25 182.86 1pkx h TRP 247 N 0.90 1.15 -0.51 0.00 2.91 -0.75 -2.01 115.95 117.64 1pkx h TRP 247 Ca 0.16 -0.02 -0.12 0.00 1.13 0.00 0.00 58.89 60.04 1pkx h TRP 247 Cb 0.58 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1pkx h TRP 247 CO 0.04 0.79 -0.14 1.96 -1.03 0.00 0.00 178.44 180.06 1pkx h GLN 248 N 1.18 0.99 0.03 2.65 4.20 -1.36 -1.43 115.11 121.37 1pkx h GLN 248 Ca 0.30 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1pkx h GLN 248 Cb -0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1pkx h GLN 248 CO -0.05 1.06 -0.11 1.25 -0.67 0.00 0.00 178.83 180.31 1pkx h LEU 249 N 0.86 -0.32 -0.90 1.46 6.46 -1.01 -1.27 115.31 120.59 1pkx h LEU 249 Ca 0.13 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.82 1pkx h LEU 249 Cb 0.71 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1pkx h LEU 249 CO 0.05 -0.17 -0.53 -0.37 -0.62 0.00 0.00 178.44 176.81 1pkx h VAL 250 N -0.21 1.37 -0.61 1.05 -1.51 -1.36 -1.27 116.25 113.73 1pkx h VAL 250 Ca 0.03 -1.81 -0.08 0.00 -1.23 0.00 0.00 66.70 63.62 1pkx h VAL 250 Cb 0.24 1.95 -0.02 0.00 -2.13 0.00 0.00 31.29 31.33 1pkx h VAL 250 CO -0.09 0.52 0.08 0.50 -1.23 0.00 0.00 177.57 177.36 1pkx h LYS 251 N 0.05 1.02 -0.14 5.19 3.64 -0.97 -2.36 116.57 122.98 1pkx h LYS 251 Ca -0.00 -0.28 -0.18 0.00 -1.27 0.00 0.00 60.65 58.91 1pkx h LYS 251 Cb 0.95 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1pkx h LYS 251 CO 0.07 0.96 -0.66 0.93 -2.27 0.00 0.00 179.45 178.48 1pkx h GLU 252 N 0.92 0.56 0.05 1.90 5.08 -1.00 -1.77 114.58 120.33 1pkx h GLU 252 Ca 0.18 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1pkx h GLU 252 Cb 0.45 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pkx h GLU 252 CO 0.01 1.03 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.96 1pkx h LEU 253 N 0.41 -0.06 -0.36 1.33 3.38 -1.10 -0.21 115.31 118.69 1pkx h LEU 253 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1pkx h LEU 253 Cb 1.24 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1pkx h LEU 253 CO 0.12 -0.04 0.17 0.50 0.09 0.00 0.00 178.44 179.28 1pkx h LYS 254 N -0.08 0.52 -0.70 1.13 1.63 -1.46 0.78 116.57 118.39 1pkx h LYS 254 Ca -0.01 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1pkx h LYS 254 Cb 0.06 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1pkx h LYS 254 CO 0.01 0.48 0.41 0.93 -3.45 0.00 0.00 179.45 177.83 1pkx h GLU 255 N 0.44 0.96 -0.05 1.90 5.08 -1.22 0.18 114.58 121.86 1pkx h GLU 255 Ca 0.12 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 58.15 1pkx h GLU 255 Cb 0.13 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1pkx h GLU 255 CO -0.01 0.68 -0.93 0.00 -1.00 0.00 0.00 179.01 177.74 1pkx h ALA 256 N 1.48 0.25 0.00 3.43 0.00 -0.58 -3.38 119.26 120.46 1pkx h ALA 256 Ca 0.25 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pkx h ALA 256 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pkx h ALA 256 CO -0.05 0.71 -0.99 1.28 0.00 0.00 0.00 179.25 180.20 1pkx n LEU 257 N -3.86 0.26 -0.38 0.00 4.77 0.23 -4.99 117.00 113.02 1pkx n LEU 257 Ca -0.09 -0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 55.58 1pkx n LEU 257 Cb 0.83 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.89 1pkx n LEU 257 CO 0.54 0.07 -0.05 0.61 -1.33 0.00 0.00 177.39 177.23 1pkx n GLY 258 N 1.55 0.76 3.24 -0.72 0.00 0.62 -5.03 105.19 105.61 1pkx n GLY 258 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1pkx n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkx s ILE 259 N -2.12 1.65 0.29 -0.61 1.01 -1.26 -5.08 121.20 115.08 1pkx s ILE 259 Ca 0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 1pkx s ILE 259 Cb 0.00 -1.41 -0.13 0.00 0.01 0.00 0.00 42.46 40.93 1pkx s ILE 259 CO 0.00 0.29 1.36 -2.65 0.00 0.00 0.00 174.94 173.94 1pkx n PRO 260 N 2.09 2.11 -4.31 2.79 -0.02 -1.26 -4.25 135.00 132.16 1pkx n PRO 260 Ca -0.16 0.75 -0.23 0.00 -2.02 0.00 0.00 63.50 61.83 1pkx n PRO 260 Cb 0.53 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 1pkx n PRO 260 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pkx s ALA 261 N -0.55 1.91 0.09 3.55 0.00 -1.26 -0.18 121.76 125.32 1pkx s ALA 261 Ca 0.62 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1pkx s ALA 261 Cb -0.60 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1pkx s ALA 261 CO 0.55 0.33 -0.04 0.00 0.00 0.00 0.00 175.76 176.60 1pkx s ALA 262 N -1.46 0.84 -0.02 0.00 0.00 -0.35 -1.28 121.76 119.50 1pkx s ALA 262 Ca 0.10 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 1pkx s ALA 262 Cb -0.09 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1pkx s ALA 262 CO 0.05 -0.30 0.22 0.00 0.00 0.00 0.00 175.76 175.73 1pkx s ALA 263 N -3.75 -0.53 -0.25 0.00 0.00 -0.27 -1.69 121.76 115.27 1pkx s ALA 263 Ca 0.12 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1pkx s ALA 263 Cb 0.06 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.27 1pkx s ALA 263 CO -0.06 -0.21 -0.05 0.45 0.00 0.00 0.00 175.76 175.89 1pkx s SER 264 N -1.14 4.04 -0.01 0.00 0.15 -0.30 -1.97 113.70 114.47 1pkx s SER 264 Ca -0.12 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.23 1pkx s SER 264 Cb -0.06 -1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 1pkx s SER 264 CO 0.02 -0.24 0.04 -0.36 1.20 0.00 0.00 173.24 173.90 1pkx s PHE 265 N 1.31 3.19 -0.15 3.44 0.40 -0.16 0.13 117.98 126.14 1pkx s PHE 265 Ca -0.05 0.16 -0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1pkx s PHE 265 Cb -0.19 -1.72 0.07 0.00 0.51 0.00 0.00 43.02 41.69 1pkx s PHE 265 CO -0.07 0.51 0.33 0.21 0.70 0.00 0.00 175.22 176.90 1pkx s LYS 266 N -1.57 0.24 -1.30 0.44 2.36 -0.65 -0.83 119.74 118.43 1pkx s LYS 266 Ca 0.20 0.82 -0.02 0.00 -2.55 0.00 0.00 55.97 54.42 1pkx s LYS 266 Cb -0.12 0.07 0.01 0.00 -1.05 0.00 0.00 37.83 36.75 1pkx s LYS 266 CO 0.11 -0.24 0.88 0.72 1.55 0.00 0.00 175.35 178.37 1pkx n HIS 267 N 5.06 -2.15 -2.65 4.03 8.25 -1.26 -3.09 115.22 123.43 1pkx n HIS 267 Ca -0.12 0.90 -0.19 0.00 -0.26 0.00 0.00 57.72 58.05 1pkx n HIS 267 Cb 0.51 -4.64 0.00 0.00 1.12 0.00 0.00 29.99 26.98 1pkx n HIS 267 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pkx n VAL 268 N -4.35 -1.11 -3.85 1.59 0.31 -1.26 -4.96 118.33 104.70 1pkx n VAL 268 Ca -0.23 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 63.99 1pkx n VAL 268 Cb 0.65 -2.64 -0.09 0.00 -0.91 0.00 0.00 33.84 30.85 1pkx n VAL 268 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1pkx s SER 269 N -2.26 0.03 0.25 4.52 0.01 -1.18 -4.22 113.70 110.85 1pkx s SER 269 Ca 0.11 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 1pkx s SER 269 Cb -0.05 0.26 -0.09 0.00 0.21 0.00 0.00 66.02 66.35 1pkx s SER 269 CO 0.13 -0.50 1.05 -2.16 0.41 0.00 0.00 173.24 172.17 1pkx s PRO 270 N -2.18 4.70 0.00 12.44 0.04 -1.26 -1.64 135.00 147.10 1pkx s PRO 270 Ca -0.08 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1pkx s PRO 270 Cb -0.03 -3.24 -0.25 0.00 0.04 0.00 0.00 34.50 31.02 1pkx s PRO 270 CO -0.02 0.28 0.85 0.00 0.04 0.00 0.00 177.00 178.15 1pkx h ALA 271 N 4.19 0.44 -2.95 8.56 0.00 0.67 -3.46 119.26 126.71 1pkx h ALA 271 Ca -0.46 -1.20 -0.00 0.00 0.00 0.00 0.00 54.91 53.25 1pkx h ALA 271 Cb 1.21 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 19.17 1pkx h ALA 271 CO 0.68 1.30 0.23 0.20 0.00 0.00 0.00 179.25 181.67 1pkx s GLY 272 N -5.00 -0.57 -0.25 0.00 0.00 -1.07 -4.47 107.32 95.96 1pkx s GLY 272 Ca -0.07 0.47 -0.26 0.00 0.00 0.00 0.00 44.72 44.86 1pkx s GLY 272 CO 0.83 0.15 0.75 0.00 0.00 0.00 0.00 173.10 174.84 1pkx s ALA 273 N -3.72 -1.80 0.14 3.20 0.00 -1.26 -1.15 121.76 117.18 1pkx s ALA 273 Ca 0.02 1.95 -0.25 0.00 0.00 0.00 0.00 51.96 53.69 1pkx s ALA 273 Cb -0.01 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1pkx s ALA 273 CO -0.11 -0.33 0.80 0.00 0.00 0.00 0.00 175.76 176.12 1pkx s ALA 274 N 0.22 -1.59 0.16 0.00 0.00 -0.68 -1.30 121.76 118.57 1pkx s ALA 274 Ca -0.01 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1pkx s ALA 274 Cb -0.05 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1pkx s ALA 274 CO 0.01 -0.89 0.22 0.14 0.00 0.00 0.00 175.76 175.24 1pkx s VAL 275 N -3.49 4.96 -0.63 0.00 -7.23 -0.54 -1.20 120.40 112.27 1pkx s VAL 275 Ca 0.08 -0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 59.34 1pkx s VAL 275 Cb -0.02 -3.55 -0.08 0.00 0.56 0.00 0.00 36.38 33.29 1pkx s VAL 275 CO -0.03 -0.10 2.12 0.61 -0.31 0.00 0.00 175.10 177.39 1pkx n GLY 276 N -0.46 2.79 3.73 2.32 0.00 0.74 -4.47 105.19 109.83 1pkx n GLY 276 Ca -0.08 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1pkx n GLY 276 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkx s ILE 277 N 2.99 3.80 0.13 -0.61 1.01 -1.26 -4.70 121.20 122.56 1pkx s ILE 277 Ca 0.38 1.43 -0.35 0.00 0.00 0.00 0.00 60.65 62.11 1pkx s ILE 277 Cb 0.12 -3.91 -0.16 0.00 0.01 0.00 0.00 42.46 38.52 1pkx s ILE 277 CO -0.02 0.19 1.27 -2.65 0.00 0.00 0.00 174.94 173.72 1pkx n PRO 278 N 3.03 1.22 -2.78 2.79 -0.02 -1.26 -4.80 135.00 133.18 1pkx n PRO 278 Ca 0.06 0.44 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 1pkx n PRO 278 Cb 0.46 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 1pkx n PRO 278 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pkx s LEU 279 N 0.57 4.62 0.73 2.45 1.02 -1.26 -5.06 118.68 121.75 1pkx s LEU 279 Ca 0.79 1.89 -0.12 0.00 0.02 0.00 0.00 54.13 56.71 1pkx s LEU 279 Cb -0.89 -3.57 0.03 0.00 0.02 0.00 0.00 46.19 41.79 1pkx s LEU 279 CO 0.49 0.13 1.11 -0.94 0.02 0.00 0.00 176.35 177.16 1pkx s SER 280 N -0.99 5.17 0.27 2.29 1.04 -1.26 -4.81 113.70 115.40 1pkx s SER 280 Ca 0.41 1.11 -0.03 0.00 0.48 0.00 0.00 55.95 57.93 1pkx s SER 280 Cb -0.25 -1.86 0.39 0.00 0.10 0.00 0.00 66.02 64.40 1pkx s SER 280 CO 0.31 -1.52 1.90 -0.33 0.98 0.00 0.00 173.24 174.58 1pkx h GLU 281 N -0.78 1.17 -0.52 4.02 5.08 -1.99 -0.65 114.58 120.92 1pkx h GLU 281 Ca -0.45 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 1pkx h GLU 281 Cb 1.27 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1pkx h GLU 281 CO 0.63 0.77 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.83 1pkx h ASP 282 N 1.20 1.02 -0.61 1.42 3.32 -2.00 -2.27 116.42 118.50 1pkx h ASP 282 Ca 0.41 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1pkx h ASP 282 Cb 0.08 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1pkx h ASP 282 CO -0.14 1.15 0.22 -0.33 -1.72 0.00 0.00 179.24 178.42 1pkx h GLU 283 N 0.89 0.93 -0.57 3.56 5.08 -1.80 -1.38 114.58 121.29 1pkx h GLU 283 Ca 0.13 -0.19 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1pkx h GLU 283 Cb 0.72 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1pkx h GLU 283 CO 0.06 0.81 0.38 0.00 -1.00 0.00 0.00 179.01 179.26 1pkx h ALA 284 N 1.08 1.84 -0.12 3.43 0.00 -0.90 -0.08 119.26 124.50 1pkx h ALA 284 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1pkx h ALA 284 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pkx h ALA 284 CO -0.01 0.07 -0.25 0.87 0.00 0.00 0.00 179.25 179.93 1pkx h LYS 285 N 0.55 0.38 -0.38 0.00 1.57 -0.78 0.13 116.57 118.04 1pkx h LYS 285 Ca 0.25 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1pkx h LYS 285 Cb 0.28 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1pkx h LYS 285 CO -0.07 0.85 0.13 0.28 -0.57 0.00 0.00 179.45 180.07 1pkx h VAL 286 N -0.05 1.16 -0.00 0.50 2.07 -0.63 0.97 116.25 120.28 1pkx h VAL 286 Ca 0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1pkx h VAL 286 Cb 0.84 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1pkx h VAL 286 CO 0.05 0.20 -0.08 0.00 0.02 0.00 0.00 177.57 177.76 1pkx n MET 288 N -1.11 -6.65 -0.35 0.00 0.00 0.34 -4.87 117.12 104.47 1pkx n MET 288 Ca 0.14 0.70 0.04 0.00 0.00 0.00 0.00 57.70 58.58 1pkx n MET 288 Cb 0.27 -5.37 0.06 0.00 0.00 0.00 0.00 33.22 28.18 1pkx n MET 288 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1pkx n VAL 289 N -4.53 0.76 -0.23 2.03 0.24 0.37 -4.83 118.33 112.14 1pkx n VAL 289 Ca -0.02 -0.95 0.10 0.00 -2.04 0.00 0.00 64.34 61.43 1pkx n VAL 289 Cb 0.56 0.21 0.37 0.00 -1.47 0.00 0.00 33.84 33.51 1pkx n VAL 289 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1pkx h TYR 290 N 0.03 0.79 0.00 6.34 3.20 -1.78 0.08 116.97 125.64 1pkx h TYR 290 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1pkx h TYR 290 Cb 1.25 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1pkx h TYR 290 CO 0.07 0.35 0.00 -0.40 -1.64 0.00 0.00 178.16 176.54 1pkx n ASP 291 N -4.52 0.00 -0.01 -2.11 5.75 -1.26 -1.52 116.55 112.88 1pkx n ASP 291 Ca 0.15 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.33 1pkx n ASP 291 Cb 0.37 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1pkx n ASP 291 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pkx n LEU 292 N -1.44 1.84 -0.35 -2.12 4.77 -0.01 -4.82 117.00 114.86 1pkx n LEU 292 Ca 0.03 -1.83 0.29 0.00 -0.03 0.00 0.00 56.01 54.47 1pkx n LEU 292 Cb 0.09 -0.00 0.55 0.00 -2.33 0.00 0.00 43.42 41.73 1pkx n LEU 292 CO 0.08 0.46 1.13 0.22 -1.33 0.00 0.00 177.39 177.94 1pkx h TYR 293 N 0.03 0.80 0.00 -1.77 3.20 -0.96 0.75 116.97 119.02 1pkx h TYR 293 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1pkx h TYR 293 Cb 0.42 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1pkx h TYR 293 CO 0.00 -0.26 -0.01 0.87 -1.64 0.00 0.00 178.16 177.12 1pkx h LYS 294 N 0.18 0.00 -0.31 1.82 6.56 -1.88 -3.21 116.57 119.73 1pkx h LYS 294 Ca 0.78 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.37 1pkx h LYS 294 Cb 2.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.70 1pkx h LYS 294 CO -0.60 0.01 0.00 0.25 -2.06 0.00 0.00 179.45 177.05 1pkx n THR 295 N -3.10 0.45 -1.96 -0.16 -2.24 0.25 -5.01 114.28 102.50 1pkx n THR 295 Ca 0.02 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.66 1pkx n THR 295 Cb 0.39 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 1pkx n THR 295 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pkx s LEU 296 N -1.40 4.38 0.41 3.22 1.43 -1.18 -4.80 118.68 120.73 1pkx s LEU 296 Ca 0.33 2.74 0.07 0.00 -1.03 0.00 0.00 54.13 56.24 1pkx s LEU 296 Cb 0.20 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 1pkx s LEU 296 CO 0.28 -0.74 0.07 0.42 0.23 0.00 0.00 176.35 176.60 1pkx s THR 297 N -0.10 2.13 0.14 5.49 -4.23 -1.26 -4.97 115.64 112.84 1pkx s THR 297 Ca 0.59 -1.90 -0.18 0.00 -1.18 0.00 0.00 61.69 59.03 1pkx s THR 297 Cb -0.43 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.43 1pkx s THR 297 CO 0.45 -0.01 1.71 -0.65 -0.54 0.00 0.00 174.62 175.59 1pkx h PRO 298 N 1.66 0.08 -0.71 3.99 0.11 -1.97 0.14 132.00 135.30 1pkx h PRO 298 Ca -0.44 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1pkx h PRO 298 Cb 1.24 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1pkx h PRO 298 CO 0.77 0.05 0.27 0.97 -0.21 0.00 0.00 178.00 179.85 1pkx h ILE 299 N 0.08 1.25 -0.02 4.15 6.09 -1.88 -0.73 117.51 126.45 1pkx h ILE 299 Ca 0.14 -0.80 -0.13 0.00 -1.37 0.00 0.00 64.86 62.70 1pkx h ILE 299 Cb 0.18 0.41 -0.02 0.00 0.47 0.00 0.00 36.82 37.87 1pkx h ILE 299 CO -0.23 0.32 -0.58 0.77 -3.07 0.00 0.00 178.15 175.36 1pkx h SER 300 N 1.04 0.06 -0.48 2.19 4.64 -1.88 -1.75 113.55 117.38 1pkx h SER 300 Ca 0.24 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1pkx h SER 300 Cb 0.22 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1pkx h SER 300 CO -0.02 0.62 -0.05 0.00 -0.87 0.00 0.00 176.83 176.52 1pkx h ALA 301 N 1.38 0.65 -0.29 5.18 0.00 -0.46 0.52 119.26 126.24 1pkx h ALA 301 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pkx h ALA 301 Cb 1.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1pkx h ALA 301 CO 0.08 0.50 0.19 0.00 0.00 0.00 0.00 179.25 180.02 1pkx h ALA 302 N 0.91 0.37 -0.50 0.00 0.00 -0.90 -1.58 119.26 117.56 1pkx h ALA 302 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1pkx h ALA 302 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1pkx h ALA 302 CO 0.03 -0.17 -0.06 -0.92 0.00 0.00 0.00 179.25 178.14 1pkx h TYR 303 N 0.39 1.02 -1.00 0.00 3.20 -1.10 -1.79 116.97 117.69 1pkx h TYR 303 Ca 0.11 -0.20 0.10 0.00 3.14 0.00 0.00 58.73 61.88 1pkx h TYR 303 Cb -0.04 -0.26 -0.08 0.00 1.54 0.00 0.00 36.73 37.89 1pkx h TYR 303 CO -0.06 0.97 0.64 0.00 -1.64 0.00 0.00 178.16 178.07 1pkx h ALA 304 N 0.91 1.47 -0.15 1.82 0.00 -0.60 0.13 119.26 122.84 1pkx h ALA 304 Ca 0.13 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1pkx h ALA 304 Cb 0.60 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pkx h ALA 304 CO 0.04 0.30 -0.62 0.00 0.00 0.00 0.00 179.25 178.98 1pkx h ARG 305 N 1.06 0.52 -0.05 0.00 3.08 -1.13 -1.52 114.38 116.34 1pkx h ARG 305 Ca 0.48 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1pkx h ARG 305 Cb 0.37 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1pkx h ARG 305 CO -0.23 0.98 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 1pkx h ALA 306 N 0.94 0.07 0.00 0.04 0.00 -0.34 -2.87 119.26 117.10 1pkx h ALA 306 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pkx h ALA 306 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pkx h ALA 306 CO 0.11 -0.27 0.00 -0.09 0.00 0.00 0.00 179.25 179.01 1pkx h ARG 307 N -0.18 0.00 0.00 0.00 2.43 -1.08 -3.24 114.38 112.30 1pkx h ARG 307 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1pkx h ARG 307 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1pkx h ARG 307 CO 0.00 0.00 -0.22 0.41 -1.51 0.00 0.00 179.97 178.65 1pkx n GLY 308 N 0.42 -1.50 0.30 2.80 0.00 -0.57 -3.88 105.19 102.75 1pkx n GLY 308 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 1pkx n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkx h ALA 309 N 2.75 0.96 -1.57 4.61 0.00 -1.54 -3.39 119.26 121.08 1pkx h ALA 309 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1pkx h ALA 309 Cb 0.62 -0.30 -0.26 0.00 0.00 0.00 0.00 17.79 17.85 1pkx h ALA 309 CO 0.00 0.43 -0.57 0.34 0.00 0.00 0.00 179.25 179.44 1pkx s ASP 310 N -5.98 0.08 0.43 0.00 -1.08 -1.26 -4.72 116.67 104.14 1pkx s ASP 310 Ca -0.13 -1.03 0.14 0.00 -0.52 0.00 0.00 52.55 51.01 1pkx s ASP 310 Cb 0.15 1.15 1.03 0.00 -1.46 0.00 0.00 42.92 43.80 1pkx s ASP 310 CO 0.79 -0.25 1.97 0.03 0.52 0.00 0.00 175.17 178.23 1pkx h ARG 311 N 7.30 0.40 -0.19 4.34 3.08 -1.77 -2.07 114.38 125.46 1pkx h ARG 311 Ca 0.02 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1pkx h ARG 311 Cb 1.11 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.08 1pkx h ARG 311 CO 0.18 0.26 -0.60 0.52 -1.07 0.00 0.00 179.97 179.26 1pkx h MET 312 N 0.41 0.75 0.00 0.04 2.86 -1.93 -3.02 114.93 114.04 1pkx h MET 312 Ca 0.29 -0.55 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1pkx h MET 312 Cb 0.60 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1pkx h MET 312 CO -0.08 1.17 -0.18 0.77 1.06 0.00 0.00 176.91 179.64 1pkx h SER 313 N 0.47 0.00 0.28 1.22 0.02 -1.86 -2.93 113.55 110.75 1pkx h SER 313 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1pkx h SER 313 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1pkx h SER 313 CO 0.13 0.18 -0.11 -1.20 -1.14 0.00 0.00 176.83 174.69 1pkx n SER 314 N -3.42 0.62 -4.66 3.07 7.64 -0.82 -4.74 113.62 111.32 1pkx n SER 314 Ca -0.00 -0.74 -0.42 0.00 1.01 0.00 0.00 58.87 58.71 1pkx n SER 314 Cb 0.37 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 1pkx n SER 314 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1pkx s PHE 315 N -2.39 1.86 -0.24 1.43 2.19 -1.11 -1.63 117.98 118.09 1pkx s PHE 315 Ca 0.31 0.11 -0.00 0.00 0.33 0.00 0.00 56.93 57.68 1pkx s PHE 315 Cb 0.20 -3.97 0.00 0.00 -1.31 0.00 0.00 43.02 37.94 1pkx s PHE 315 CO 0.46 -4.08 0.01 0.41 1.83 0.00 0.00 175.22 173.85 1pkx n GLY 316 N 4.25 0.28 3.82 13.12 0.00 0.05 -4.97 105.19 121.74 1pkx n GLY 316 Ca 0.18 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1pkx n GLY 316 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pkx s ASP 317 N -2.88 3.99 -0.14 1.61 -4.77 -0.65 -3.93 116.67 109.89 1pkx s ASP 317 Ca 0.00 0.99 -0.01 0.00 -3.30 0.00 0.00 52.55 50.24 1pkx s ASP 317 Cb -0.00 -1.59 -0.01 0.00 -1.09 0.00 0.00 42.92 40.22 1pkx s ASP 317 CO 0.01 -2.25 -0.12 0.12 0.70 0.00 0.00 175.17 173.62 1pkx s PHE 318 N -3.32 2.83 0.01 2.11 2.19 -0.01 -0.26 117.98 121.53 1pkx s PHE 318 Ca 0.63 -0.72 -0.08 0.00 0.33 0.00 0.00 56.93 57.08 1pkx s PHE 318 Cb -0.14 -1.88 -0.05 0.00 -1.31 0.00 0.00 43.02 39.65 1pkx s PHE 318 CO 0.52 -0.28 0.31 0.08 1.83 0.00 0.00 175.22 177.68 1pkx s VAL 319 N 0.52 5.24 -0.03 3.12 1.01 0.40 -0.99 120.40 129.66 1pkx s VAL 319 Ca -0.08 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1pkx s VAL 319 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1pkx s VAL 319 CO 0.04 0.39 -0.12 0.00 0.00 0.00 0.00 175.10 175.41 1pkx s ALA 320 N -1.28 1.12 -0.02 5.51 0.00 -0.83 -0.99 121.76 125.26 1pkx s ALA 320 Ca 0.27 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1pkx s ALA 320 Cb -0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1pkx s ALA 320 CO 0.15 0.19 -0.14 -0.51 0.00 0.00 0.00 175.76 175.45 1pkx s LEU 321 N 0.16 1.93 0.32 0.00 1.43 -0.69 -1.12 118.68 120.71 1pkx s LEU 321 Ca -0.04 -0.27 0.24 0.00 -1.03 0.00 0.00 54.13 53.03 1pkx s LEU 321 Cb -0.10 -0.76 0.46 0.00 0.03 0.00 0.00 46.19 45.81 1pkx s LEU 321 CO 0.01 0.14 1.59 0.77 0.23 0.00 0.00 176.35 179.09 1pkx h SER 322 N 6.07 0.00 -3.12 2.29 4.64 -1.47 -3.36 113.55 118.59 1pkx h SER 322 Ca -0.34 -0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.50 1pkx h SER 322 Cb 1.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 1pkx h SER 322 CO 0.48 0.01 -0.68 -1.81 -0.87 0.00 0.00 176.83 173.96 1pkx s ASP 323 N -5.44 2.59 0.16 4.97 1.11 -1.26 -4.72 116.67 114.07 1pkx s ASP 323 Ca 0.07 -1.16 -0.34 0.00 0.18 0.00 0.00 52.55 51.31 1pkx s ASP 323 Cb 0.08 -0.14 -0.16 0.00 1.07 0.00 0.00 42.92 43.78 1pkx s ASP 323 CO 0.66 -0.33 1.23 0.52 1.18 0.00 0.00 175.17 178.42 1pkx n VAL 324 N -0.52 0.67 -2.34 -1.27 0.31 -1.26 -4.50 118.33 109.42 1pkx n VAL 324 Ca -0.06 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 1pkx n VAL 324 Cb 0.63 -0.89 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 1pkx n VAL 324 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkx s ASP 326 N 1.80 5.06 0.15 0.00 1.47 -1.26 -1.29 116.67 122.60 1pkx s ASP 326 Ca 0.60 -0.88 -0.15 0.00 1.18 0.00 0.00 52.55 53.29 1pkx s ASP 326 Cb -0.27 0.35 0.02 0.00 -0.34 0.00 0.00 42.92 42.68 1pkx s ASP 326 CO 0.23 -1.37 1.75 0.58 0.68 0.00 0.00 175.17 177.04 1pkx h VAL 327 N 0.17 1.17 -0.83 2.11 2.07 -1.94 -2.12 116.25 116.88 1pkx h VAL 327 Ca -0.29 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1pkx h VAL 327 Cb 1.29 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1pkx h VAL 327 CO 0.41 0.18 0.54 -0.65 0.02 0.00 0.00 177.57 178.07 1pkx h PRO 328 N 0.57 0.93 -0.29 1.57 0.11 -1.96 -0.91 132.00 132.02 1pkx h PRO 328 Ca 0.15 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 1pkx h PRO 328 Cb 0.07 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1pkx h PRO 328 CO -0.02 0.61 -0.15 1.15 -0.21 0.00 0.00 178.00 179.38 1pkx h THR 329 N 0.95 1.30 -0.61 -1.15 2.02 -1.87 -2.69 112.91 110.86 1pkx h THR 329 Ca 0.35 -1.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 1pkx h THR 329 Cb 0.15 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1pkx h THR 329 CO -0.12 0.40 0.16 0.00 0.37 0.00 0.00 175.52 176.33 1pkx h ALA 330 N 0.74 1.12 -0.68 6.16 0.00 -0.99 -2.45 119.26 123.16 1pkx h ALA 330 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1pkx h ALA 330 Cb 0.68 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1pkx h ALA 330 CO 0.04 0.59 0.40 0.87 0.00 0.00 0.00 179.25 181.16 1pkx h LYS 331 N 0.91 0.94 -0.46 0.00 1.57 -1.11 0.80 116.57 119.21 1pkx h LYS 331 Ca 0.20 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1pkx h LYS 331 Cb 0.31 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1pkx h LYS 331 CO -0.00 0.68 -0.07 0.82 -0.57 0.00 0.00 179.45 180.31 1pkx h ILE 332 N 0.93 1.25 -0.02 1.86 2.04 -1.30 -3.00 117.51 119.28 1pkx h ILE 332 Ca 0.24 -1.12 -0.25 0.00 1.00 0.00 0.00 64.86 64.74 1pkx h ILE 332 Cb -0.00 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1pkx h ILE 332 CO -0.04 0.39 -0.97 0.40 0.00 0.00 0.00 178.15 177.92 1pkx h ILE 333 N 0.74 1.33 -0.80 -0.67 2.04 -0.93 -3.29 117.51 115.93 1pkx h ILE 333 Ca 0.13 -2.29 0.18 0.00 1.00 0.00 0.00 64.86 63.88 1pkx h ILE 333 Cb 0.55 2.35 -0.11 0.00 -0.74 0.00 0.00 36.82 38.86 1pkx h ILE 333 CO 0.03 0.70 0.26 -1.28 0.00 0.00 0.00 178.15 177.86 1pkx h SER 334 N 0.35 0.15 -0.32 1.72 0.87 0.75 -1.56 113.55 115.50 1pkx h SER 334 Ca -0.10 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1pkx h SER 334 Cb 1.62 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1pkx h SER 334 CO 0.18 -0.01 0.00 -2.11 -0.53 0.00 0.00 176.83 174.37 1pkx n ARG 335 N -5.10 2.13 -4.44 2.24 1.85 -1.19 -4.90 116.66 107.25 1pkx n ARG 335 Ca 0.17 -1.30 -0.23 0.00 -1.00 0.00 0.00 57.85 55.49 1pkx n ARG 335 Cb 0.52 -1.47 -0.10 0.00 -1.05 0.00 0.00 32.46 30.36 1pkx n ARG 335 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1pkx s GLU 336 N -1.64 1.60 -0.27 2.89 0.41 -0.59 -4.94 118.70 116.16 1pkx s GLU 336 Ca 0.24 -1.74 -0.27 0.00 -0.41 0.00 0.00 54.97 52.79 1pkx s GLU 336 Cb 0.14 -1.60 0.01 0.00 -1.78 0.00 0.00 34.13 30.90 1pkx s GLU 336 CO 0.13 0.28 0.97 0.08 -0.49 0.00 0.00 175.26 176.23 1pkx s VAL 337 N -2.63 4.68 -0.00 2.63 1.01 -1.26 -4.99 120.40 119.83 1pkx s VAL 337 Ca 0.28 1.72 -0.09 0.00 0.00 0.00 0.00 61.98 63.89 1pkx s VAL 337 Cb -0.04 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.07 1pkx s VAL 337 CO 0.13 -0.26 0.19 -0.55 0.00 0.00 0.00 175.10 174.61 1pkx s SER 338 N 1.43 -0.04 0.01 3.32 0.15 -1.26 -0.77 113.70 116.54 1pkx s SER 338 Ca 0.41 -0.11 0.21 0.00 0.70 0.00 0.00 55.95 57.16 1pkx s SER 338 Cb -0.14 0.24 -0.25 0.00 -1.71 0.00 0.00 66.02 64.16 1pkx s SER 338 CO 0.10 -0.39 0.59 0.47 1.20 0.00 0.00 173.24 175.21 1pkx n ASP 339 N 1.43 0.23 0.00 5.45 9.92 0.64 -4.83 116.55 129.39 1pkx n ASP 339 Ca -0.22 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1pkx n ASP 339 Cb 0.56 1.47 0.00 0.00 -0.64 0.00 0.00 41.12 42.51 1pkx n ASP 339 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pkx n GLY 340 N 1.29 -0.42 3.34 0.44 0.00 -1.19 -3.70 105.19 104.95 1pkx n GLY 340 Ca -0.06 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 1pkx n GLY 340 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pkx s ILE 341 N -2.00 0.03 -0.03 -0.61 2.07 0.03 -0.46 121.20 120.24 1pkx s ILE 341 Ca 0.00 -0.28 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 1pkx s ILE 341 Cb 0.00 -0.73 0.01 0.00 0.13 0.00 0.00 42.46 41.87 1pkx s ILE 341 CO 0.00 -0.15 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.30 1pkx s ILE 342 N -1.09 0.59 0.26 2.00 2.07 -0.16 -0.15 121.20 124.71 1pkx s ILE 342 Ca -0.11 -0.24 -0.18 0.00 -1.41 0.00 0.00 60.65 58.72 1pkx s ILE 342 Cb -0.03 -0.56 0.01 0.00 0.13 0.00 0.00 42.46 42.01 1pkx s ILE 342 CO 0.05 0.20 0.61 0.00 -1.91 0.00 0.00 174.94 173.90 1pkx s ALA 343 N 0.37 -0.85 -0.92 1.50 0.00 -0.76 -1.71 121.76 119.40 1pkx s ALA 343 Ca -0.05 -0.48 0.25 0.00 0.00 0.00 0.00 51.96 51.67 1pkx s ALA 343 Cb -0.09 0.93 1.01 0.00 0.00 0.00 0.00 23.12 24.96 1pkx s ALA 343 CO 0.00 -0.94 1.78 -0.35 0.00 0.00 0.00 175.76 176.25 1pkx n PRO 344 N -0.42 0.06 0.00 0.00 -0.04 -1.26 -0.21 135.00 133.13 1pkx n PRO 344 Ca -0.04 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1pkx n PRO 344 Cb 0.61 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1pkx n PRO 344 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pkx n GLY 345 N 1.01 0.37 2.94 0.55 0.00 -1.26 -4.60 105.19 104.19 1pkx n GLY 345 Ca 0.06 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 1pkx n GLY 345 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pkx s TYR 346 N -2.00 0.25 0.36 1.61 1.51 -1.26 -0.99 117.35 116.83 1pkx s TYR 346 Ca 0.00 -0.18 -0.26 0.00 -1.01 0.00 0.00 57.07 55.62 1pkx s TYR 346 Cb 0.00 -0.16 -0.09 0.00 -0.11 0.00 0.00 41.96 41.59 1pkx s TYR 346 CO 0.00 -0.05 1.05 -1.21 -1.11 0.00 0.00 175.55 174.23 1pkx s GLU 347 N -0.50 4.34 0.22 -0.62 2.02 -0.41 -4.83 118.70 118.91 1pkx s GLU 347 Ca -0.04 1.57 -0.18 0.00 0.02 0.00 0.00 54.97 56.34 1pkx s GLU 347 Cb -0.04 -2.75 0.21 0.00 0.10 0.00 0.00 34.13 31.66 1pkx s GLU 347 CO -0.00 0.00 1.57 1.05 0.02 0.00 0.00 175.26 177.90 1pkx h GLU 348 N 2.93 -0.06 -0.33 1.61 -0.00 -2.00 0.26 114.58 116.99 1pkx h GLU 348 Ca -0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.81 1pkx h GLU 348 Cb 1.21 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.96 1pkx h GLU 348 CO 0.64 -0.04 -0.13 1.49 -0.00 0.00 0.00 179.01 180.97 1pkx h GLU 349 N -0.06 0.57 -0.79 1.06 4.81 -1.97 -2.09 114.58 116.11 1pkx h GLU 349 Ca 0.31 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1pkx h GLU 349 Cb 0.58 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1pkx h GLU 349 CO -0.87 0.69 0.51 0.00 -0.73 0.00 0.00 179.01 178.61 1pkx h ALA 350 N 1.34 1.00 -0.66 2.92 0.00 -0.89 -1.91 119.26 121.05 1pkx h ALA 350 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1pkx h ALA 350 Cb 0.54 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1pkx h ALA 350 CO 0.03 0.44 0.13 1.25 0.00 0.00 0.00 179.25 181.10 1pkx h LEU 351 N 1.08 1.02 -0.15 0.00 5.85 -0.42 -1.89 115.31 120.78 1pkx h LEU 351 Ca 0.29 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1pkx h LEU 351 Cb -0.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 1pkx h LEU 351 CO -0.06 1.00 0.09 0.74 -0.34 0.00 0.00 178.44 179.87 1pkx h THR 352 N 1.01 1.07 0.14 1.05 2.02 -0.98 -0.39 112.91 116.82 1pkx h THR 352 Ca 0.20 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1pkx h THR 352 Cb 0.40 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1pkx h THR 352 CO 0.01 0.07 -0.15 0.40 0.37 0.00 0.00 175.52 176.21 1pkx h ILE 353 N 0.16 0.66 -0.84 3.11 2.04 -1.15 -2.99 117.51 118.51 1pkx h ILE 353 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1pkx h ILE 353 Cb 0.03 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1pkx h ILE 353 CO -0.01 0.00 0.39 -0.07 0.00 0.00 0.00 178.15 178.46 1pkx h LEU 354 N -0.32 1.11 -2.52 1.44 3.38 -1.31 -2.72 115.31 114.36 1pkx h LEU 354 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pkx h LEU 354 Cb 0.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pkx h LEU 354 CO -0.05 0.94 0.00 0.28 0.09 0.00 0.00 178.44 179.70 1pkx h SER 355 N 1.20 0.00 1.13 -0.43 0.02 -0.92 -2.52 113.55 112.02 1pkx h SER 355 Ca 0.29 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.07 1pkx h SER 355 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1pkx h SER 355 CO -0.03 0.00 -0.80 0.11 -1.14 0.00 0.00 176.83 174.96 1pkx h LYS 356 N 0.00 0.00 -6.78 3.45 6.56 -1.36 -3.34 116.57 115.11 1pkx h LYS 356 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 1pkx h LYS 356 Cb 0.09 0.00 0.17 0.00 -0.57 0.00 0.00 32.23 31.92 1pkx h LYS 356 CO 0.00 0.80 -0.08 1.63 -2.06 0.00 0.00 179.45 179.75 1pkx n LYS 357 N -3.34 0.59 -3.91 3.15 5.02 -0.95 -1.77 118.16 116.96 1pkx n LYS 357 Ca 0.01 0.25 -0.25 0.00 -2.02 0.00 0.00 58.31 56.29 1pkx n LYS 357 Cb 0.84 -2.04 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 1pkx n LYS 357 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pkx n LYS 358 N -1.04 -3.36 -2.79 1.97 5.02 -1.26 -1.25 118.16 115.44 1pkx n LYS 358 Ca 0.13 0.43 -0.22 0.00 -2.02 0.00 0.00 58.31 56.63 1pkx n LYS 358 Cb 0.49 -4.57 0.02 0.00 -0.02 0.00 0.00 35.03 30.94 1pkx n LYS 358 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pkx n ASN 359 N -2.97 -5.85 0.00 4.39 3.02 -1.21 -1.73 115.26 110.90 1pkx n ASN 359 Ca -0.30 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1pkx n ASN 359 Cb 0.68 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 1pkx n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pkx n GLY 360 N -1.30 0.49 0.70 7.41 0.00 -0.38 -4.92 105.19 107.19 1pkx n GLY 360 Ca -0.16 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.62 1pkx n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pkx n ASN 361 N 0.56 2.72 -4.65 1.61 3.02 -0.71 -4.49 115.26 113.32 1pkx n ASN 361 Ca 0.00 -1.81 -0.47 0.00 -0.03 0.00 0.00 54.58 52.27 1pkx n ASN 361 Cb 0.00 -0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 38.97 1pkx n ASN 361 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pkx n TYR 362 N 0.79 2.10 -2.48 3.10 9.36 -0.96 -4.16 117.16 124.91 1pkx n TYR 362 Ca 0.12 0.37 -0.43 0.00 3.32 0.00 0.00 57.90 61.29 1pkx n TYR 362 Cb 0.42 -2.48 -0.02 0.00 -0.63 0.00 0.00 39.34 36.62 1pkx n TYR 362 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pkx s VAL 364 N 5.11 3.00 -0.03 0.00 1.01 -0.33 -0.79 120.40 128.37 1pkx s VAL 364 Ca 0.52 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1pkx s VAL 364 Cb -0.10 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1pkx s VAL 364 CO 0.30 0.34 -0.19 -0.76 0.00 0.00 0.00 175.10 174.79 1pkx s LEU 365 N 1.39 2.49 -0.18 3.92 1.43 0.78 -0.79 118.68 127.73 1pkx s LEU 365 Ca 0.03 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1pkx s LEU 365 Cb -0.15 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1pkx s LEU 365 CO -0.05 0.32 -0.05 -1.58 0.23 0.00 0.00 176.35 175.23 1pkx s GLN 366 N -0.80 3.53 -0.13 1.70 0.74 -0.35 -1.83 119.66 122.53 1pkx s GLN 366 Ca 0.11 -0.58 -0.03 0.00 0.05 0.00 0.00 55.36 54.92 1pkx s GLN 366 Cb -0.10 -2.92 -0.03 0.00 1.10 0.00 0.00 33.01 31.06 1pkx s GLN 366 CO 0.01 0.08 -0.03 1.41 -0.55 0.00 0.00 175.29 176.20 1pkx s MET 367 N 0.77 3.37 -0.36 1.67 -2.45 0.71 -1.83 119.30 121.18 1pkx s MET 367 Ca -0.02 -0.50 -0.29 0.00 -1.25 0.00 0.00 55.69 53.64 1pkx s MET 367 Cb -0.15 -2.84 -0.01 0.00 1.25 0.00 0.00 34.83 33.09 1pkx s MET 367 CO 0.02 0.42 1.59 0.34 1.05 0.00 0.00 175.02 178.43 1pkx s ASP 368 N -0.11 6.17 0.50 1.11 -1.08 -0.84 -4.26 116.67 118.16 1pkx s ASP 368 Ca 0.03 1.11 0.17 0.00 -0.52 0.00 0.00 52.55 53.33 1pkx s ASP 368 Cb -0.13 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.02 1pkx s ASP 368 CO 0.02 -1.52 2.08 1.56 0.52 0.00 0.00 175.17 177.83 1pkx h GLN 369 N 11.56 0.11 -0.00 4.34 1.08 -1.92 -2.49 115.11 127.80 1pkx h GLN 369 Ca -0.31 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1pkx h GLN 369 Cb 1.14 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1pkx h GLN 369 CO 1.05 0.08 -0.10 -1.13 -0.95 0.00 0.00 178.83 177.77 1pkx n SER 370 N -4.48 0.13 -4.73 1.46 3.41 -1.26 -4.87 113.62 103.28 1pkx n SER 370 Ca 0.03 0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 58.45 1pkx n SER 370 Cb 0.26 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1pkx n SER 370 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1pkx s TYR 371 N -2.93 3.24 -0.05 7.33 5.04 -0.94 -5.03 117.35 124.02 1pkx s TYR 371 Ca 0.16 1.10 0.02 0.00 -2.44 0.00 0.00 57.07 55.91 1pkx s TYR 371 Cb 0.19 -3.65 0.01 0.00 0.35 0.00 0.00 41.96 38.86 1pkx s TYR 371 CO 0.55 -2.13 -0.11 -1.59 -1.34 0.00 0.00 175.55 170.93 1pkx s LYS 372 N 0.37 1.37 0.74 4.97 0.00 -1.26 -5.06 119.74 120.88 1pkx s LYS 372 Ca 0.60 -0.36 -0.11 0.00 0.00 0.00 0.00 55.97 56.10 1pkx s LYS 372 Cb -0.37 -1.20 0.04 0.00 0.00 0.00 0.00 37.83 36.30 1pkx s LYS 372 CO 0.35 0.06 1.08 -1.25 0.00 0.00 0.00 175.35 175.59 1pkx s PRO 373 N 0.50 2.52 0.64 1.78 0.04 -1.26 -5.03 135.00 134.19 1pkx s PRO 373 Ca -0.10 0.99 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 1pkx s PRO 373 Cb -0.13 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1pkx s PRO 373 CO 0.02 -1.40 1.08 -0.51 0.04 0.00 0.00 177.00 176.22 1pkx s ASP 374 N -3.64 5.45 0.22 6.66 1.01 -1.26 -4.97 116.67 120.15 1pkx s ASP 374 Ca 0.60 1.85 -0.04 0.00 0.71 0.00 0.00 52.55 55.66 1pkx s ASP 374 Cb -0.15 -2.53 0.22 0.00 1.01 0.00 0.00 42.92 41.46 1pkx s ASP 374 CO 0.55 -1.39 1.66 -0.33 0.21 0.00 0.00 175.17 175.87 1pkx h GLU 375 N 0.08 0.80 -6.48 8.23 5.08 -1.98 -3.45 114.58 116.86 1pkx h GLU 375 Ca -0.46 -0.29 -0.53 0.00 -1.00 0.00 0.00 59.36 57.08 1pkx h GLU 375 Cb 1.23 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1pkx h GLU 375 CO 0.56 0.90 -0.05 1.21 -1.00 0.00 0.00 179.01 180.63 1pkx s ASN 376 N -6.71 6.72 -0.02 1.42 3.84 -1.26 0.47 114.94 119.40 1pkx s ASN 376 Ca -0.09 1.06 -0.04 0.00 0.21 0.00 0.00 52.86 54.00 1pkx s ASN 376 Cb 0.13 -2.28 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 1pkx s ASN 376 CO 0.83 -0.06 0.09 -1.83 -2.79 0.00 0.00 177.10 173.34 1pkx s GLU 377 N -2.62 0.26 0.09 0.43 -1.05 -0.32 -4.84 118.70 110.65 1pkx s GLU 377 Ca 0.47 -0.15 0.07 0.00 -0.15 0.00 0.00 54.97 55.21 1pkx s GLU 377 Cb -0.12 0.11 -0.03 0.00 -0.44 0.00 0.00 34.13 33.65 1pkx s GLU 377 CO 0.20 -0.05 -0.19 0.08 0.95 0.00 0.00 175.26 176.25 1pkx s VAL 378 N -0.63 1.53 0.03 1.83 1.01 -1.26 -2.02 120.40 120.89 1pkx s VAL 378 Ca -0.07 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.49 1pkx s VAL 378 Cb -0.04 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1pkx s VAL 378 CO 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 175.10 174.98 1pkx s ARG 379 N -1.76 0.44 -0.16 2.72 1.70 -0.57 -5.00 118.95 116.33 1pkx s ARG 379 Ca 0.04 -0.75 -0.07 0.00 -0.47 0.00 0.00 55.73 54.49 1pkx s ARG 379 Cb -0.10 -0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.19 1pkx s ARG 379 CO 0.03 -0.01 0.06 0.99 -1.08 0.00 0.00 175.30 175.29 1pkx s THR 380 N -1.70 4.76 -0.09 4.99 2.01 -1.26 -1.12 115.64 123.22 1pkx s THR 380 Ca -0.11 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 1pkx s THR 380 Cb -0.08 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.34 1pkx s THR 380 CO -0.01 0.49 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.16 1pkx s LEU 381 N 0.10 0.79 -1.62 4.42 2.96 0.71 -4.79 118.68 121.25 1pkx s LEU 381 Ca 0.05 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.65 1pkx s LEU 381 Cb -0.12 -0.58 0.12 0.00 0.50 0.00 0.00 46.19 46.11 1pkx s LEU 381 CO 0.01 -0.17 0.75 0.33 -1.32 0.00 0.00 176.35 175.95 1pkx n PHE 382 N 5.08 -1.82 -0.19 5.38 7.35 -1.26 -0.51 117.46 131.49 1pkx n PHE 382 Ca -0.09 0.81 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1pkx n PHE 382 Cb 0.50 -3.27 0.00 0.00 0.35 0.00 0.00 39.48 37.06 1pkx n PHE 382 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pkx n GLY 383 N -1.56 2.60 3.96 7.13 0.00 -1.26 -5.01 105.19 111.05 1pkx n GLY 383 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1pkx n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pkx s LEU 384 N 0.00 4.29 -0.15 0.99 1.43 0.34 -5.08 118.68 120.49 1pkx s LEU 384 Ca 0.00 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1pkx s LEU 384 Cb 0.00 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 1pkx s LEU 384 CO 0.00 -0.09 -0.12 -1.00 0.23 0.00 0.00 176.35 175.37 1pkx s HIS 385 N -2.00 2.84 -0.23 0.29 3.76 -1.26 -0.21 115.29 118.47 1pkx s HIS 385 Ca 0.35 -0.82 -0.05 0.00 -0.15 0.00 0.00 55.06 54.39 1pkx s HIS 385 Cb -0.09 -1.91 -0.01 0.00 1.11 0.00 0.00 32.58 31.68 1pkx s HIS 385 CO 0.30 -0.35 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.32 1pkx s LEU 386 N 0.70 3.07 0.05 0.89 1.43 -0.28 -4.97 118.68 119.56 1pkx s LEU 386 Ca -0.06 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1pkx s LEU 386 Cb -0.15 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1pkx s LEU 386 CO 0.02 -0.03 -0.17 -0.55 0.23 0.00 0.00 176.35 175.85 1pkx s SER 387 N 1.52 3.88 0.04 2.29 0.15 -1.26 -1.50 113.70 118.81 1pkx s SER 387 Ca 0.06 -0.42 -0.27 0.00 0.70 0.00 0.00 55.95 56.01 1pkx s SER 387 Cb -0.15 -0.64 0.09 0.00 -1.71 0.00 0.00 66.02 63.62 1pkx s SER 387 CO -0.01 0.24 0.81 0.00 1.20 0.00 0.00 173.24 175.48 1pkx s GLN 388 N -1.55 0.95 0.30 5.44 -2.07 -0.86 -5.02 119.66 116.85 1pkx s GLN 388 Ca 0.15 -0.35 -0.29 0.00 -1.82 0.00 0.00 55.36 53.06 1pkx s GLN 388 Cb -0.11 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.16 1pkx s GLN 388 CO 0.06 -0.42 1.10 0.21 -1.32 0.00 0.00 175.29 174.92 1pkx s LYS 389 N -3.30 4.56 1.02 9.60 2.20 -1.26 -1.17 119.74 131.39 1pkx s LYS 389 Ca 0.04 1.77 -0.12 0.00 -0.36 0.00 0.00 55.97 57.30 1pkx s LYS 389 Cb -0.01 -3.09 0.20 0.00 -1.51 0.00 0.00 37.83 33.42 1pkx s LYS 389 CO -0.10 0.15 1.08 -0.98 -0.36 0.00 0.00 175.35 175.14 1pkx s ARG 390 N -1.61 0.24 -0.93 4.03 1.70 0.18 -4.87 118.95 117.69 1pkx s ARG 390 Ca 0.47 0.56 -0.22 0.00 -0.47 0.00 0.00 55.73 56.07 1pkx s ARG 390 Cb -0.31 -1.71 0.07 0.00 -0.57 0.00 0.00 34.95 32.43 1pkx s ARG 390 CO 0.39 -2.87 1.30 1.21 -1.08 0.00 0.00 175.30 174.25 1pkx s ASN 391 N -3.33 6.47 -0.47 -2.89 3.84 -1.26 -4.81 114.94 112.49 1pkx s ASN 391 Ca 0.66 -1.47 0.04 0.00 0.21 0.00 0.00 52.86 52.29 1pkx s ASN 391 Cb -0.19 -2.51 0.58 0.00 -0.55 0.00 0.00 41.25 38.58 1pkx s ASN 391 CO 0.58 -1.41 1.84 0.59 -2.79 0.00 0.00 177.10 175.91 1pkx n ASN 392 N 8.17 4.48 -4.72 -4.21 3.02 -1.26 -5.00 115.26 115.75 1pkx n ASN 392 Ca 0.24 -3.69 -0.43 0.00 -0.03 0.00 0.00 54.58 50.67 1pkx n ASN 392 Cb 0.50 -0.82 -0.02 0.00 -0.61 0.00 0.00 39.78 38.83 1pkx n ASN 392 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pkx n GLY 393 N -1.08 1.21 3.72 7.41 0.00 -1.26 -4.95 105.19 110.24 1pkx n GLY 393 Ca 0.56 0.50 -0.38 0.00 0.00 0.00 0.00 46.02 46.70 1pkx n GLY 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkx s VAL 394 N 0.20 5.20 -0.41 1.61 1.01 -1.26 -5.05 120.40 121.70 1pkx s VAL 394 Ca 0.67 0.91 -0.06 0.00 0.00 0.00 0.00 61.98 63.51 1pkx s VAL 394 Cb -0.55 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.13 1pkx s VAL 394 CO 0.46 0.33 0.22 -0.69 0.00 0.00 0.00 175.10 175.42 1pkx s VAL 395 N 0.62 3.68 0.34 2.92 1.01 -1.26 -4.83 120.40 122.87 1pkx s VAL 395 Ca 0.25 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.49 1pkx s VAL 395 Cb -0.15 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1pkx s VAL 395 CO 0.10 -0.59 0.42 -0.90 0.00 0.00 0.00 175.10 174.14 1pkx n ASP 396 N 4.74 -1.16 -0.32 3.32 5.68 -1.26 -4.87 116.55 122.68 1pkx n ASP 396 Ca -0.07 -2.94 0.06 0.00 -0.50 0.00 0.00 54.79 51.34 1pkx n ASP 396 Cb 0.42 2.26 0.25 0.00 -1.14 0.00 0.00 41.12 42.92 1pkx n ASP 396 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1pkx h LYS 397 N 0.00 0.96 -0.68 0.11 5.09 -1.96 -1.89 116.57 118.20 1pkx h LYS 397 Ca -0.26 -0.06 0.05 0.00 0.09 0.00 0.00 60.65 60.48 1pkx h LYS 397 Cb 1.17 -0.22 -0.04 0.00 0.10 0.00 0.00 32.23 33.24 1pkx h LYS 397 CO 0.35 0.64 0.45 1.03 -2.09 0.00 0.00 179.45 179.83 1pkx h SER 398 N 0.99 0.64 -0.39 7.07 0.87 -1.98 -2.27 113.55 118.48 1pkx h SER 398 Ca 0.43 -0.00 0.06 0.00 -1.23 0.00 0.00 61.79 61.05 1pkx h SER 398 Cb 0.33 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1pkx h SER 398 CO -0.18 0.42 0.27 0.25 -0.53 0.00 0.00 176.83 177.05 1pkx h LEU 399 N 0.73 0.23 -3.45 2.23 5.85 -1.66 -1.93 115.31 117.32 1pkx h LEU 399 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1pkx h LEU 399 Cb 0.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1pkx h LEU 399 CO -0.09 0.15 0.00 0.49 -0.34 0.00 0.00 178.44 178.65 1pkx n PHE 400 N -4.47 2.00 1.41 1.25 3.72 -0.86 -4.44 117.46 116.08 1pkx n PHE 400 Ca 0.05 -0.69 0.15 0.00 -0.05 0.00 0.00 57.45 56.90 1pkx n PHE 400 Cb 0.27 -0.50 0.74 0.00 -0.94 0.00 0.00 39.48 39.05 1pkx n PHE 400 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pkx n SER 401 N 0.61 0.06 -3.93 4.37 3.41 -0.73 -4.33 113.62 113.08 1pkx n SER 401 Ca 0.27 -0.18 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 1pkx n SER 401 Cb 1.16 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1pkx n SER 401 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pkx n ASN 402 N -1.26 6.30 -4.68 4.04 5.15 -1.26 -5.00 115.26 118.56 1pkx n ASN 402 Ca 0.14 -3.44 -0.43 0.00 -0.60 0.00 0.00 54.58 50.26 1pkx n ASN 402 Cb 0.25 -1.22 -0.02 0.00 -0.53 0.00 0.00 39.78 38.25 1pkx n ASN 402 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1pkx s VAL 403 N -2.89 4.34 -2.36 3.44 1.01 -1.26 -1.98 120.40 120.71 1pkx s VAL 403 Ca 0.32 1.65 0.19 0.00 0.00 0.00 0.00 61.98 64.14 1pkx s VAL 403 Cb 0.07 -4.06 0.14 0.00 0.00 0.00 0.00 36.38 32.53 1pkx s VAL 403 CO 0.09 -0.06 1.10 1.33 0.00 0.00 0.00 175.10 177.56 1pkx n VAL 404 N 4.90 0.00 -2.99 2.92 0.24 -0.31 -4.96 118.33 118.13 1pkx n VAL 404 Ca 0.12 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.34 61.64 1pkx n VAL 404 Cb 0.46 1.39 -0.03 0.00 -1.47 0.00 0.00 33.84 34.19 1pkx n VAL 404 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1pkx s THR 405 N -1.64 4.87 0.24 3.34 -4.23 -1.25 -4.98 115.64 112.00 1pkx s THR 405 Ca 0.22 0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1pkx s THR 405 Cb 0.16 -3.74 0.21 0.00 1.34 0.00 0.00 72.50 70.47 1pkx s THR 405 CO 0.26 -0.49 1.77 0.11 -0.54 0.00 0.00 174.62 175.73 1pkx h LYS 406 N 1.30 0.59 -6.12 3.99 1.57 -1.93 -3.35 116.57 112.62 1pkx h LYS 406 Ca -0.47 -0.04 -0.58 0.00 -1.87 0.00 0.00 60.65 57.69 1pkx h LYS 406 Cb 1.19 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.29 1pkx h LYS 406 CO 0.64 0.39 0.70 1.21 -0.57 0.00 0.00 179.45 181.83 1pkx s ASN 407 N -5.46 6.86 0.00 0.86 3.84 -1.26 -4.90 114.94 114.88 1pkx s ASN 407 Ca -0.12 0.96 0.13 0.00 0.21 0.00 0.00 52.86 54.04 1pkx s ASN 407 Cb 0.20 -2.50 0.27 0.00 -0.55 0.00 0.00 41.25 38.67 1pkx s ASN 407 CO 0.77 -0.78 1.17 0.29 -2.79 0.00 0.00 177.10 175.76 1pkx n LYS 408 N 6.61 2.09 -2.57 0.43 5.02 -1.26 -4.76 118.16 123.73 1pkx n LYS 408 Ca 0.09 -1.84 -0.41 0.00 -2.02 0.00 0.00 58.31 54.13 1pkx n LYS 408 Cb 0.47 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1pkx n LYS 408 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pkx s ASP 409 N -1.05 6.34 -0.46 4.39 2.15 -1.26 -4.98 116.67 121.80 1pkx s ASP 409 Ca 0.24 -0.99 -0.18 0.00 0.43 0.00 0.00 52.55 52.05 1pkx s ASP 409 Cb 0.13 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1pkx s ASP 409 CO 0.18 -1.65 0.50 -0.22 -0.17 0.00 0.00 175.17 173.81 1pkx s LEU 410 N 5.27 5.03 0.53 -1.34 2.96 -1.26 -5.05 118.68 124.81 1pkx s LEU 410 Ca 0.40 -0.87 -0.21 0.00 -0.22 0.00 0.00 54.13 53.23 1pkx s LEU 410 Cb -0.04 -2.38 -0.07 0.00 0.50 0.00 0.00 46.19 44.20 1pkx s LEU 410 CO 0.02 -0.70 1.14 -2.65 -1.32 0.00 0.00 176.35 172.83 1pkx n PRO 411 N 5.74 1.37 0.01 0.98 -0.02 -1.26 -4.75 135.00 137.07 1pkx n PRO 411 Ca -0.08 0.50 0.15 0.00 -2.02 0.00 0.00 63.50 62.06 1pkx n PRO 411 Cb 0.46 -2.30 0.61 0.00 -0.02 0.00 0.00 33.50 32.25 1pkx n PRO 411 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pkx h GLU 412 N 1.19 0.15 -0.56 -0.52 4.39 -1.99 0.40 114.58 117.65 1pkx h GLU 412 Ca -0.48 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.11 1pkx h GLU 412 Cb 1.33 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1pkx h GLU 412 CO 0.55 0.10 -0.03 0.66 -1.16 0.00 0.00 179.01 179.13 1pkx h SER 413 N 0.16 0.99 -0.32 1.42 4.64 -2.00 -2.20 113.55 116.23 1pkx h SER 413 Ca 0.22 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 61.12 1pkx h SER 413 Cb 0.66 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1pkx h SER 413 CO -0.03 1.07 -0.19 0.00 -0.87 0.00 0.00 176.83 176.81 1pkx h ALA 414 N 0.95 0.46 -0.21 5.18 0.00 -1.32 -2.45 119.26 121.87 1pkx h ALA 414 Ca 0.15 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1pkx h ALA 414 Cb 0.58 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1pkx h ALA 414 CO 0.03 0.39 -0.12 1.25 0.00 0.00 0.00 179.25 180.81 1pkx h LEU 415 N 0.46 -0.38 0.08 0.00 5.85 -1.14 0.32 115.31 120.50 1pkx h LEU 415 Ca 0.07 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1pkx h LEU 415 Cb 0.73 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1pkx h LEU 415 CO 0.05 -0.15 -0.50 -0.09 -0.34 0.00 0.00 178.44 177.42 1pkx h ARG 416 N -0.10 -0.67 -0.61 1.25 2.43 -1.30 -0.81 114.38 114.56 1pkx h ARG 416 Ca 0.12 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1pkx h ARG 416 Cb 0.27 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1pkx h ARG 416 CO -0.27 -0.45 0.41 -0.44 -1.51 0.00 0.00 179.97 177.71 1pkx h ASP 417 N -0.70 0.67 -0.66 -3.80 3.32 -1.13 -1.37 116.42 112.76 1pkx h ASP 417 Ca 0.01 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1pkx h ASP 417 Cb 0.73 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1pkx h ASP 417 CO -0.30 0.48 0.09 -0.07 -1.72 0.00 0.00 179.24 177.72 1pkx h LEU 418 N 0.79 1.06 -0.60 1.55 3.38 -0.53 0.13 115.31 121.09 1pkx h LEU 418 Ca 0.23 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1pkx h LEU 418 Cb -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1pkx h LEU 418 CO -0.06 1.06 0.19 0.40 0.09 0.00 0.00 178.44 180.12 1pkx h ILE 419 N 1.02 1.24 -0.42 1.22 2.04 -0.46 0.20 117.51 122.35 1pkx h ILE 419 Ca 0.20 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1pkx h ILE 419 Cb 0.46 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1pkx h ILE 419 CO 0.02 0.32 0.17 0.58 0.00 0.00 0.00 178.15 179.23 1pkx h VAL 420 N 0.86 1.20 -0.30 1.67 2.07 -0.86 -1.52 116.25 119.37 1pkx h VAL 420 Ca 0.19 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 1pkx h VAL 420 Cb 0.29 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1pkx h VAL 420 CO -0.01 0.22 -0.20 0.00 0.02 0.00 0.00 177.57 177.61 1pkx h ALA 421 N 1.02 1.10 -0.06 1.67 0.00 -0.49 -1.71 119.26 120.79 1pkx h ALA 421 Ca 0.14 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 1pkx h ALA 421 Cb 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pkx h ALA 421 CO -0.01 0.56 -0.78 1.15 0.00 0.00 0.00 179.25 180.16 1pkx h THR 422 N 0.49 1.32 -0.40 0.00 2.02 -0.77 -1.32 112.91 114.26 1pkx h THR 422 Ca 0.08 -2.06 -0.11 0.00 0.77 0.00 0.00 66.41 65.10 1pkx h THR 422 Cb 0.62 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1pkx h THR 422 CO 0.04 0.63 -0.18 0.40 0.37 0.00 0.00 175.52 176.79 1pkx h ILE 423 N 0.28 1.27 0.28 3.11 2.04 -1.26 -0.58 117.51 122.65 1pkx h ILE 423 Ca -0.08 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1pkx h ILE 423 Cb 1.44 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1pkx h ILE 423 CO 0.16 0.43 -0.16 0.00 0.00 0.00 0.00 178.15 178.58 1pkx h ALA 424 N 1.12 -0.40 -0.08 1.87 0.00 -1.29 -2.60 119.26 117.87 1pkx h ALA 424 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pkx h ALA 424 Cb 0.68 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1pkx h ALA 424 CO 0.05 -0.73 0.01 0.28 0.00 0.00 0.00 179.25 178.86 1pkx h VAL 425 N -0.41 1.05 0.00 0.00 2.07 -1.00 -1.09 116.25 116.88 1pkx h VAL 425 Ca -0.03 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1pkx h VAL 425 Cb 0.33 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1pkx h VAL 425 CO 0.04 0.06 -0.14 0.50 0.02 0.00 0.00 177.57 178.05 1pkx h LYS 426 N 0.11 0.00 -0.37 1.57 3.64 -0.72 -2.81 116.57 117.99 1pkx h LYS 426 Ca 0.03 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1pkx h LYS 426 Cb 0.06 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 1pkx h LYS 426 CO -0.00 0.14 -0.01 0.66 -2.27 0.00 0.00 179.45 177.97 1pkx n TYR 427 N -4.33 1.18 -4.77 1.91 4.01 -0.43 -4.80 117.16 109.94 1pkx n TYR 427 Ca -0.03 -1.42 -0.33 0.00 -0.16 0.00 0.00 57.90 55.96 1pkx n TYR 427 Cb 0.21 -0.48 -0.13 0.00 -0.31 0.00 0.00 39.34 38.63 1pkx n TYR 427 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1pkx s THR 428 N -3.14 3.21 0.29 -0.72 2.01 -1.06 -4.27 115.64 111.96 1pkx s THR 428 Ca 0.45 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 1pkx s THR 428 Cb 0.39 -2.32 -0.12 0.00 0.01 0.00 0.00 72.50 70.47 1pkx s THR 428 CO 0.03 0.55 1.55 0.00 -0.69 0.00 0.00 174.62 176.07 1pkx n GLN 429 N 2.93 2.57 -2.50 4.92 1.13 -1.26 -4.44 117.38 120.72 1pkx n GLN 429 Ca -0.18 0.91 -0.32 0.00 -1.94 0.00 0.00 57.00 55.47 1pkx n GLN 429 Cb 0.53 -2.67 -0.04 0.00 0.11 0.00 0.00 30.24 28.17 1pkx n GLN 429 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1pkx s SER 430 N 0.43 6.68 0.59 1.08 0.01 -0.55 -1.05 113.70 120.90 1pkx s SER 430 Ca 0.64 1.61 -0.20 0.00 1.31 0.00 0.00 55.95 59.32 1pkx s SER 430 Cb -0.53 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.15 1pkx s SER 430 CO 0.49 -0.54 1.29 0.20 0.41 0.00 0.00 173.24 175.09 1pkx s ASN 431 N -2.81 5.05 -0.01 2.44 0.02 0.11 -3.31 114.94 116.42 1pkx s ASN 431 Ca 0.60 2.61 0.00 0.00 -1.02 0.00 0.00 52.86 55.05 1pkx s ASN 431 Cb -0.10 -2.62 0.01 0.00 0.02 0.00 0.00 41.25 38.56 1pkx s ASN 431 CO 0.26 -1.71 0.01 -0.44 0.02 0.00 0.00 177.10 175.25 1pkx s SER 432 N -1.28 0.04 -0.08 -1.22 0.01 -1.26 -2.03 113.70 107.89 1pkx s SER 432 Ca 0.77 0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.99 1pkx s SER 432 Cb -0.37 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 65.86 1pkx s SER 432 CO 0.41 -0.06 0.19 -0.69 0.41 0.00 0.00 173.24 173.50 1pkx s VAL 433 N 0.49 -0.02 -0.04 3.43 1.01 -1.14 -1.41 120.40 122.72 1pkx s VAL 433 Ca -0.04 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1pkx s VAL 433 Cb -0.06 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.05 1pkx s VAL 433 CO -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 175.10 175.03 1pkx s TYR 435 N 0.53 3.37 0.03 0.00 1.51 0.16 -1.65 117.35 121.29 1pkx s TYR 435 Ca -0.09 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 1pkx s TYR 435 Cb -0.12 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1pkx s TYR 435 CO 0.01 0.41 -0.05 0.00 -1.11 0.00 0.00 175.55 174.81 1pkx s ALA 436 N -0.28 0.35 -0.04 3.71 0.00 0.70 -0.61 121.76 125.59 1pkx s ALA 436 Ca 0.09 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 1pkx s ALA 436 Cb -0.12 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.14 1pkx s ALA 436 CO 0.01 -0.07 0.56 0.21 0.00 0.00 0.00 175.76 176.47 1pkx s LYS 437 N -1.38 0.94 -1.55 0.00 2.20 -0.16 -0.68 119.74 119.12 1pkx s LYS 437 Ca -0.11 0.10 -0.08 0.00 -0.36 0.00 0.00 55.97 55.52 1pkx s LYS 437 Cb -0.09 0.44 0.07 0.00 -1.51 0.00 0.00 37.83 36.74 1pkx s LYS 437 CO -0.00 -0.29 0.57 0.09 -0.36 0.00 0.00 175.35 175.36 1pkx n ASN 438 N 1.00 -1.68 -0.61 1.43 3.02 -1.26 -1.23 115.26 115.93 1pkx n ASN 438 Ca -0.20 -1.01 -0.08 0.00 -0.03 0.00 0.00 54.58 53.26 1pkx n ASN 438 Cb 0.57 -2.88 -0.03 0.00 -0.61 0.00 0.00 39.78 36.82 1pkx n ASN 438 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pkx n GLY 439 N -1.76 0.96 3.15 7.41 0.00 -1.26 -4.79 105.19 108.90 1pkx n GLY 439 Ca -0.14 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1pkx n GLY 439 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pkx s GLN 440 N -2.42 0.70 0.13 1.61 -2.07 -0.37 -1.46 119.66 115.78 1pkx s GLN 440 Ca 0.00 -0.89 -0.30 0.00 -1.82 0.00 0.00 55.36 52.35 1pkx s GLN 440 Cb 0.00 0.27 -0.07 0.00 -1.09 0.00 0.00 33.01 32.12 1pkx s GLN 440 CO 0.00 -0.19 1.21 0.08 -1.32 0.00 0.00 175.29 175.07 1pkx s VAL 441 N -3.27 3.75 -0.01 3.63 1.01 -0.42 -0.99 120.40 124.10 1pkx s VAL 441 Ca 0.01 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1pkx s VAL 441 Cb 0.03 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1pkx s VAL 441 CO -0.08 0.16 0.15 2.30 0.00 0.00 0.00 175.10 177.64 1pkx n ILE 442 N 3.25 0.00 -3.44 2.22 -5.35 0.22 -4.64 119.36 111.61 1pkx n ILE 442 Ca 0.07 -0.50 0.01 0.00 -0.27 0.00 0.00 62.75 62.06 1pkx n ILE 442 Cb 0.45 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.31 1pkx n ILE 442 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pkx s GLY 443 N -0.71 -0.15 -0.01 3.28 0.00 -1.07 -3.28 107.32 105.38 1pkx s GLY 443 Ca 0.00 3.08 0.01 0.00 0.00 0.00 0.00 44.72 47.81 1pkx s GLY 443 CO 0.00 3.13 -0.04 -1.50 0.00 0.00 0.00 173.10 174.69 1pkx s ILE 444 N 2.25 0.37 -0.10 0.90 2.07 -1.26 0.38 121.20 125.81 1pkx s ILE 444 Ca -0.04 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1pkx s ILE 444 Cb -0.06 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1pkx s ILE 444 CO -0.17 0.12 -0.15 -0.83 -1.91 0.00 0.00 174.94 172.00 1pkx s GLY 445 N 0.09 1.51 0.12 1.50 0.00 -0.51 -4.65 107.32 105.38 1pkx s GLY 445 Ca -0.01 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 43.85 1pkx s GLY 445 CO -0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 173.10 172.59 1pkx s ALA 446 N 0.04 1.45 -1.59 3.20 0.00 -1.25 -2.87 121.76 120.73 1pkx s ALA 446 Ca -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1pkx s ALA 446 Cb -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1pkx s ALA 446 CO 0.04 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1pkx n GLY 447 N 0.57 1.43 3.88 0.00 0.00 -0.21 -4.81 105.19 106.04 1pkx n GLY 447 Ca -0.16 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1pkx n GLY 447 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkx s GLN 448 N -3.27 2.60 0.00 1.61 -1.52 -1.17 -4.35 119.66 113.56 1pkx s GLN 448 Ca 0.00 0.42 0.02 0.00 -1.95 0.00 0.00 55.36 53.85 1pkx s GLN 448 Cb 0.00 -1.99 0.05 0.00 -0.22 0.00 0.00 33.01 30.84 1pkx s GLN 448 CO 0.00 -1.21 0.86 1.04 -0.25 0.00 0.00 175.29 175.73 1pkx n GLN 449 N -3.12 1.54 -3.81 2.91 6.02 -1.26 -0.71 117.38 118.94 1pkx n GLN 449 Ca 0.07 -1.23 -0.13 0.00 -0.01 0.00 0.00 57.00 55.70 1pkx n GLN 449 Cb 0.58 -1.05 -0.14 0.00 1.02 0.00 0.00 30.24 30.65 1pkx n GLN 449 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1pkx s SER 450 N -0.68 -0.08 0.04 1.08 0.15 -1.26 -5.07 113.70 107.87 1pkx s SER 450 Ca 0.04 0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 1pkx s SER 450 Cb 0.02 0.16 -0.17 0.00 -1.71 0.00 0.00 66.02 64.32 1pkx s SER 450 CO 0.03 -0.06 1.51 -0.09 1.20 0.00 0.00 173.24 175.82 1pkx h ARG 451 N 6.38 -0.04 -0.39 5.44 9.65 -1.96 -1.65 114.38 131.82 1pkx h ARG 451 Ca -0.30 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 1pkx h ARG 451 Cb 1.18 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.75 1pkx h ARG 451 CO 0.45 0.20 0.11 0.97 2.80 0.00 0.00 179.97 184.50 1pkx h ILE 452 N -0.27 1.17 -0.55 1.20 6.09 -1.97 -1.38 117.51 121.79 1pkx h ILE 452 Ca -0.00 -0.57 -0.06 0.00 -1.37 0.00 0.00 64.86 62.85 1pkx h ILE 452 Cb 0.25 0.75 -0.02 0.00 0.47 0.00 0.00 36.82 38.27 1pkx h ILE 452 CO 0.01 0.21 0.08 0.45 -3.07 0.00 0.00 178.15 175.83 1pkx h HIS 453 N 0.55 0.93 -0.27 2.19 3.86 -1.95 -1.87 115.15 118.60 1pkx h HIS 453 Ca 0.13 -0.11 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 1pkx h HIS 453 Cb 0.18 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1pkx h HIS 453 CO 0.01 0.80 -0.58 0.00 0.86 0.00 0.00 177.93 179.02 1pkx h THR 455 N 0.65 1.20 -0.12 0.00 2.02 -1.07 -0.89 112.91 114.71 1pkx h THR 455 Ca 0.00 -0.69 -0.19 0.00 0.77 0.00 0.00 66.41 66.31 1pkx h THR 455 Cb 1.19 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1pkx h THR 455 CO 0.13 0.26 -0.71 0.03 0.37 0.00 0.00 175.52 175.59 1pkx h ARG 456 N 0.72 0.56 -0.20 6.66 3.08 -1.25 -1.15 114.38 122.80 1pkx h ARG 456 Ca 0.17 -0.44 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1pkx h ARG 456 Cb 0.22 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1pkx h ARG 456 CO -0.01 1.06 -0.04 1.25 -1.07 0.00 0.00 179.97 181.16 1pkx h LEU 457 N 0.39 0.37 -0.71 3.04 6.46 -0.88 -1.23 115.31 122.76 1pkx h LEU 457 Ca -0.03 -0.36 -0.13 0.00 -0.12 0.00 0.00 57.88 57.24 1pkx h LEU 457 Cb 1.30 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1pkx h LEU 457 CO 0.13 0.65 -0.40 0.00 -0.62 0.00 0.00 178.44 178.20 1pkx h ALA 458 N 0.74 0.88 -0.41 1.25 0.00 -1.20 -2.68 119.26 117.84 1pkx h ALA 458 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1pkx h ALA 458 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1pkx h ALA 458 CO 0.02 0.64 -0.04 0.78 0.00 0.00 0.00 179.25 180.65 1pkx h GLY 459 N 1.08 0.74 1.01 0.00 0.00 -1.11 -1.15 103.07 103.64 1pkx h GLY 459 Ca 0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1pkx h GLY 459 CO 0.08 0.46 0.14 -0.55 0.00 0.00 0.00 176.54 176.66 1pkx h ASP 460 N 0.64 0.88 -0.74 0.19 3.32 -1.05 -0.57 116.42 119.09 1pkx h ASP 460 Ca 0.12 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1pkx h ASP 460 Cb 0.46 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1pkx h ASP 460 CO 0.02 0.89 0.25 0.11 -1.72 0.00 0.00 179.24 178.79 1pkx h LYS 461 N 0.84 1.14 -0.60 3.56 1.57 -1.13 -0.79 116.57 121.15 1pkx h LYS 461 Ca 0.18 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1pkx h LYS 461 Cb 0.35 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1pkx h LYS 461 CO 0.00 0.96 0.39 0.00 -0.57 0.00 0.00 179.45 180.23 1pkx h ALA 462 N 1.13 0.77 -0.59 3.86 0.00 -0.76 0.10 119.26 123.76 1pkx h ALA 462 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1pkx h ALA 462 Cb 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1pkx h ALA 462 CO -0.01 0.16 0.39 -0.91 0.00 0.00 0.00 179.25 178.89 1pkx h ASN 463 N 0.78 0.68 -0.56 0.00 2.35 -0.57 -1.21 115.58 117.05 1pkx h ASN 463 Ca 0.23 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1pkx h ASN 463 Cb -0.05 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1pkx h ASN 463 CO -0.07 0.49 0.24 1.88 -1.65 0.00 0.00 177.43 178.33 1pkx h TYR 464 N 0.80 0.84 -0.96 1.19 0.99 -0.70 0.63 116.97 119.77 1pkx h TYR 464 Ca 0.22 -0.05 0.03 0.00 2.00 0.00 0.00 58.73 60.92 1pkx h TYR 464 Cb -0.09 -0.25 -0.05 0.00 1.00 0.00 0.00 36.73 37.33 1pkx h TYR 464 CO -0.03 0.67 0.63 2.35 -0.00 0.00 0.00 178.16 181.77 1pkx h TRP 465 N 0.76 1.18 -0.33 4.88 7.01 -0.62 -2.54 115.95 126.29 1pkx h TRP 465 Ca 0.19 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 61.06 1pkx h TRP 465 Cb 0.17 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1pkx h TRP 465 CO 0.00 0.70 -0.42 2.35 -2.79 0.00 0.00 178.44 178.29 1pkx h TRP 466 N 1.24 1.05 0.00 2.65 -0.00 -0.72 -2.90 115.95 117.25 1pkx h TRP 466 Ca 0.37 -0.34 -0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1pkx h TRP 466 Cb -0.05 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 28.90 1pkx h TRP 466 CO -0.01 1.15 -0.01 -0.07 -0.00 0.00 0.00 178.44 179.50 1pkx h LEU 467 N 0.64 0.00 0.00 0.65 3.38 -0.53 0.15 115.31 119.60 1pkx h LEU 467 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pkx h LEU 467 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1pkx h LEU 467 CO 0.10 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.18 1pkx n ARG 468 N -3.25 0.30 0.00 1.13 1.74 -0.99 -1.97 116.66 113.63 1pkx n ARG 468 Ca -0.03 0.08 0.11 0.00 -0.77 0.00 0.00 57.85 57.25 1pkx n ARG 468 Cb 0.11 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.11 1pkx n ARG 468 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1pkx n HIS 469 N -1.29 0.02 -1.70 -1.55 8.25 0.53 -4.57 115.22 114.91 1pkx n HIS 469 Ca 0.10 0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 1pkx n HIS 469 Cb 0.18 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 1pkx n HIS 469 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pkx n HIS 470 N -1.54 2.25 -0.22 4.41 -0.00 -0.83 -4.77 115.22 114.52 1pkx n HIS 470 Ca 0.04 0.54 0.03 0.00 -0.00 0.00 0.00 57.72 58.33 1pkx n HIS 470 Cb 0.34 -2.41 0.14 0.00 -0.00 0.00 0.00 29.99 28.06 1pkx n HIS 470 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1pkx h PRO 471 N 2.46 0.20 0.00 1.57 0.11 -1.93 -0.50 132.00 133.90 1pkx h PRO 471 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pkx h PRO 471 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1pkx h PRO 471 CO 0.62 0.13 0.00 1.96 -0.21 0.00 0.00 178.00 180.50 1pkx h GLN 472 N 0.20 0.00 0.05 1.05 4.20 -1.95 -2.24 115.11 116.43 1pkx h GLN 472 Ca 0.36 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.72 1pkx h GLN 472 Cb 0.59 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1pkx h GLN 472 CO -0.50 0.00 -1.99 0.28 -0.67 0.00 0.00 178.83 175.95 1pkx n VAL 473 N -2.63 1.63 0.26 -0.54 0.31 -0.25 -4.14 118.33 112.97 1pkx n VAL 473 Ca -0.02 -0.45 0.11 0.00 -0.01 0.00 0.00 64.34 63.98 1pkx n VAL 473 Cb 0.08 -1.77 0.72 0.00 -0.91 0.00 0.00 33.84 31.96 1pkx n VAL 473 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1pkx h LEU 474 N -0.35 0.00 -3.90 7.52 3.38 -1.12 -2.62 115.31 118.22 1pkx h LEU 474 Ca -0.48 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.93 1pkx h LEU 474 Cb 1.77 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 42.23 1pkx h LEU 474 CO -0.09 0.07 0.54 -1.54 0.09 0.00 0.00 178.44 177.51 1pkx n SER 475 N -4.04 5.63 -4.79 -0.43 3.41 -0.87 -4.99 113.62 107.54 1pkx n SER 475 Ca -0.03 -3.73 -0.37 0.00 -0.26 0.00 0.00 58.87 54.48 1pkx n SER 475 Cb 0.16 -0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 1pkx n SER 475 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1pkx s MET 476 N -3.58 4.48 -0.25 4.33 -1.94 -0.99 -5.01 119.30 116.34 1pkx s MET 476 Ca 0.59 1.14 0.02 0.00 -1.71 0.00 0.00 55.69 55.73 1pkx s MET 476 Cb 0.48 -2.94 0.06 0.00 2.01 0.00 0.00 34.83 34.45 1pkx s MET 476 CO 0.03 0.39 -0.06 0.15 -0.01 0.00 0.00 175.02 175.51 1pkx s LYS 477 N -1.82 1.83 0.09 2.03 1.02 -1.26 -5.09 119.74 116.55 1pkx s LYS 477 Ca 0.45 -1.19 0.01 0.00 0.02 0.00 0.00 55.97 55.26 1pkx s LYS 477 Cb -0.19 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.40 1pkx s LYS 477 CO 0.24 -0.62 0.10 1.19 -0.92 0.00 0.00 175.35 175.34 1pkx n PHE 478 N 4.56 -2.21 -4.73 3.18 3.01 -1.26 0.66 117.46 120.66 1pkx n PHE 478 Ca -0.11 -0.36 -0.33 0.00 1.01 0.00 0.00 57.45 57.65 1pkx n PHE 478 Cb 0.43 -0.08 -0.15 0.00 -0.01 0.00 0.00 39.48 39.67 1pkx n PHE 478 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1pkx s LYS 479 N -2.41 3.32 -0.22 -1.08 1.02 0.39 -4.26 119.74 116.51 1pkx s LYS 479 Ca 0.08 -0.71 -0.32 0.00 0.02 0.00 0.00 55.97 55.04 1pkx s LYS 479 Cb -0.01 -2.62 -0.14 0.00 -0.52 0.00 0.00 37.83 34.54 1pkx s LYS 479 CO 0.05 0.16 1.00 -2.37 -0.92 0.00 0.00 175.35 173.27 1pkx n THR 480 N 3.68 0.00 0.00 2.17 5.66 -1.26 -5.01 114.28 119.52 1pkx n THR 480 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1pkx n THR 480 Cb 0.52 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 1pkx n THR 480 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1pkx n LYS 483 N 2.17 0.00 0.19 1.09 4.81 -1.26 -5.25 118.16 119.91 1pkx n LYS 483 Ca 0.19 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.55 1pkx n LYS 483 Cb -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1pkx n LYS 483 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1pkx h ARG 484 N 0.00 -0.51 -0.04 1.64 9.65 -1.98 0.12 114.38 123.26 1pkx h ARG 484 Ca 0.00 0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1pkx h ARG 484 Cb 0.00 0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1pkx h ARG 484 CO 0.00 -0.34 0.04 0.00 2.80 0.00 0.00 179.97 182.47 1pkx h ALA 485 N -1.40 1.66 0.23 2.80 0.00 -2.01 -1.61 119.26 118.94 1pkx h ALA 485 Ca -0.05 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 1pkx h ALA 485 Cb 0.40 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.23 1pkx h ALA 485 CO 0.09 -0.06 -1.50 1.49 0.00 0.00 0.00 179.25 179.27 1pkx h GLU 486 N 0.00 0.48 -0.49 0.00 4.22 -2.00 -3.09 114.58 113.71 1pkx h GLU 486 Ca 0.02 -0.82 0.03 0.00 0.08 0.00 0.00 59.36 58.67 1pkx h GLU 486 Cb 0.10 0.30 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1pkx h GLU 486 CO -0.00 1.39 0.28 0.97 -2.18 0.00 0.00 179.01 179.47 1pkx h ILE 487 N 0.13 1.03 0.00 2.32 6.09 0.21 -0.30 117.51 126.99 1pkx h ILE 487 Ca -0.26 -0.19 -0.09 0.00 -1.37 0.00 0.00 64.86 62.95 1pkx h ILE 487 Cb 2.13 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 39.83 1pkx h ILE 487 CO 0.25 0.10 -0.42 0.77 -3.07 0.00 0.00 178.15 175.78 1pkx h SER 488 N 0.56 0.00 -0.13 2.19 4.64 -1.55 -2.24 113.55 117.03 1pkx h SER 488 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1pkx h SER 488 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1pkx h SER 488 CO -0.10 0.42 0.01 0.78 -0.87 0.00 0.00 176.83 177.07 1pkx h ASN 489 N 0.00 0.21 -0.95 4.97 2.35 -1.23 -1.95 115.58 118.97 1pkx h ASN 489 Ca -0.00 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1pkx h ASN 489 Cb 0.82 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 1pkx h ASN 489 CO 0.06 0.43 0.63 0.00 -1.65 0.00 0.00 177.43 176.90 1pkx h ALA 490 N 0.78 1.32 -0.25 -0.83 0.00 -0.91 -2.47 119.26 116.91 1pkx h ALA 490 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1pkx h ALA 490 Cb 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pkx h ALA 490 CO 0.00 0.63 0.00 0.82 0.00 0.00 0.00 179.25 180.70 1pkx h ILE 491 N 1.29 1.25 -0.82 0.00 2.04 -1.26 -1.90 117.51 118.12 1pkx h ILE 491 Ca 0.35 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.33 1pkx h ILE 491 Cb -0.14 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1pkx h ILE 491 CO -0.08 0.28 0.54 -0.78 0.00 0.00 0.00 178.15 178.11 1pkx h ASP 492 N 0.21 0.92 -0.83 1.72 1.82 -1.20 -1.53 116.42 117.53 1pkx h ASP 492 Ca 0.07 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1pkx h ASP 492 Cb 0.41 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 1pkx h ASP 492 CO 0.01 0.66 0.47 1.56 -1.61 0.00 0.00 179.24 180.34 1pkx h GLN 493 N 1.09 1.16 0.38 0.28 4.20 -1.31 -0.66 115.11 120.25 1pkx h GLN 493 Ca 0.30 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1pkx h GLN 493 Cb -0.11 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.45 1pkx h GLN 493 CO -0.07 0.84 -0.18 -0.92 -0.67 0.00 0.00 178.83 177.82 1pkx h TYR 494 N 1.17 -0.48 0.00 2.96 3.20 -0.60 0.77 116.97 123.99 1pkx h TYR 494 Ca 0.30 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 1pkx h TYR 494 Cb 0.01 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1pkx h TYR 494 CO 0.01 -0.21 -0.26 -0.39 -1.64 0.00 0.00 178.16 175.67 1pkx h VAL 495 N -0.68 0.85 -0.02 1.81 -1.51 -1.16 -2.77 116.25 112.77 1pkx h VAL 495 Ca -0.05 -1.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 1pkx h VAL 495 Cb 0.48 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1pkx h VAL 495 CO 0.09 0.25 -0.12 0.35 -1.23 0.00 0.00 177.57 176.91 1pkx n THR 496 N -3.75 0.00 -3.36 7.19 -2.24 -0.27 -4.96 114.28 106.90 1pkx n THR 496 Ca -0.01 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.25 1pkx n THR 496 Cb 0.36 1.06 0.07 0.00 -2.10 0.00 0.00 70.33 69.72 1pkx n THR 496 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkx n GLY 497 N 1.32 -0.90 2.13 3.38 0.00 -0.30 -4.94 105.19 105.87 1pkx n GLY 497 Ca 0.14 0.43 0.01 0.00 0.00 0.00 0.00 46.02 46.60 1pkx n GLY 497 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pkx n THR 498 N -3.60 0.85 0.06 2.61 -2.24 0.11 -4.86 114.28 107.20 1pkx n THR 498 Ca -0.14 -2.20 -0.10 0.00 -2.27 0.00 0.00 64.05 59.34 1pkx n THR 498 Cb 0.63 0.98 0.01 0.00 -2.10 0.00 0.00 70.33 69.85 1pkx n THR 498 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1pkx h ILE 499 N 5.80 1.39 0.00 2.28 2.04 -1.93 -3.46 117.51 123.64 1pkx h ILE 499 Ca -0.14 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1pkx h ILE 499 Cb 1.54 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1pkx h ILE 499 CO 0.17 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.60 1pkx n GLY 500 N 0.65 1.37 3.89 5.37 0.00 -1.26 -4.29 105.19 110.92 1pkx n GLY 500 Ca -0.05 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 1pkx n GLY 500 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pkx s GLU 501 N -2.57 3.06 7.94 1.61 0.41 -1.26 -3.81 118.70 124.09 1pkx s GLU 501 Ca 0.00 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 53.56 1pkx s GLU 501 Cb 0.00 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.68 1pkx s GLU 501 CO 0.00 0.33 0.00 -0.25 -0.49 0.00 0.00 175.26 174.85 1pkx n ASP 502 N -1.32 0.00 -0.20 -0.19 8.00 -1.26 -3.45 116.55 118.13 1pkx n ASP 502 Ca -0.07 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.41 1pkx n ASP 502 Cb 0.58 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.86 1pkx n ASP 502 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1pkx h GLU 503 N 0.00 0.97 -0.06 -1.24 4.39 -1.99 -2.11 114.58 114.54 1pkx h GLU 503 Ca 0.00 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.59 1pkx h GLU 503 Cb 0.00 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 1pkx h GLU 503 CO 0.00 0.76 -0.09 -0.44 -1.16 0.00 0.00 179.01 178.08 1pkx h ASP 504 N 0.96 -0.28 -0.98 1.42 3.32 -1.87 0.60 116.42 119.61 1pkx h ASP 504 Ca 0.23 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.38 1pkx h ASP 504 Cb 0.13 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 1pkx h ASP 504 CO -0.03 -0.13 0.64 0.25 -1.72 0.00 0.00 179.24 178.25 1pkx h LEU 505 N -0.13 1.04 -0.03 1.55 5.85 -1.61 0.55 115.31 122.53 1pkx h LEU 505 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1pkx h LEU 505 Cb 0.21 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1pkx h LEU 505 CO -0.14 0.69 0.02 0.40 -0.34 0.00 0.00 178.44 179.07 1pkx h ILE 506 N 1.20 1.02 -0.33 4.05 5.03 -0.55 0.18 117.51 128.10 1pkx h ILE 506 Ca 0.40 -0.04 -0.05 0.00 -0.12 0.00 0.00 64.86 65.05 1pkx h ILE 506 Cb 0.07 0.99 -0.02 0.00 -3.03 0.00 0.00 36.82 34.83 1pkx h ILE 506 CO -0.14 0.02 0.00 0.07 -0.68 0.00 0.00 178.15 177.42 1pkx h LYS 507 N 0.03 0.51 0.03 2.37 5.09 -0.31 -2.18 116.57 122.11 1pkx h LYS 507 Ca 0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 60.65 60.65 1pkx h LYS 507 Cb 0.01 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.26 1pkx h LYS 507 CO -0.00 0.53 -0.02 2.35 -2.09 0.00 0.00 179.45 180.22 1pkx h TRP 508 N 0.49 -0.04 0.00 0.07 7.01 -0.34 -3.06 115.95 120.08 1pkx h TRP 508 Ca 0.11 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1pkx h TRP 508 Cb 0.31 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1pkx h TRP 508 CO 0.01 0.40 -0.10 0.87 -2.79 0.00 0.00 178.44 176.83 1pkx h LYS 509 N -0.50 0.00 0.00 2.65 1.57 -0.61 -2.10 116.57 117.59 1pkx h LYS 509 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pkx h LYS 509 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1pkx h LYS 509 CO 0.01 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1pkx h ALA 510 N 1.90 1.00 0.00 3.86 0.00 -1.28 -2.84 119.26 121.90 1pkx h ALA 510 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pkx h ALA 510 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pkx h ALA 510 CO 0.01 0.00 -0.13 -0.07 0.00 0.00 0.00 179.25 179.06 1pkx h LEU 511 N 0.00 0.00-10.05 0.00 3.38 -1.43 -3.47 115.31 103.74 1pkx h LEU 511 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1pkx h LEU 511 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1pkx h LEU 511 CO 0.00 0.13 -0.21 -0.36 0.09 0.00 0.00 178.44 178.09 1pkx s PHE 512 N -3.21 3.47 -0.35 1.13 0.40 -1.07 -0.46 117.98 117.89 1pkx s PHE 512 Ca 0.05 0.58 0.13 0.00 -0.60 0.00 0.00 56.93 57.09 1pkx s PHE 512 Cb 0.06 -2.04 0.74 0.00 0.51 0.00 0.00 43.02 42.29 1pkx s PHE 512 CO 0.68 0.27 1.62 -0.85 0.70 0.00 0.00 175.22 177.64 1pkx n GLU 513 N -0.63 4.50 0.00 0.44 0.00 0.21 -4.60 120.64 120.56 1pkx n GLU 513 Ca -0.02 -2.84 0.00 0.00 0.00 0.00 0.00 57.16 54.30 1pkx n GLU 513 Cb 0.53 -2.19 0.00 0.00 0.00 0.00 0.00 31.44 29.79 1pkx n GLU 513 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1pkx n GLU 514 N 0.58 0.00 -2.08 3.44 -0.00 -1.24 -5.00 120.64 116.33 1pkx n GLU 514 Ca 0.25 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 57.00 1pkx n GLU 514 Cb 1.10 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 32.51 1pkx n GLU 514 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1pkx s VAL 515 N 0.00 3.49 0.34 3.84 1.01 -1.26 -4.62 120.40 123.20 1pkx s VAL 515 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 1pkx s VAL 515 Cb 0.00 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1pkx s VAL 515 CO 0.00 -0.71 1.34 -2.16 0.00 0.00 0.00 175.10 173.57 1pkx s PRO 516 N 6.15 4.30 0.33 2.72 0.04 -1.26 -4.97 135.00 142.30 1pkx s PRO 516 Ca 0.71 2.29 -0.28 0.00 0.04 0.00 0.00 61.00 63.75 1pkx s PRO 516 Cb -0.16 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 1pkx s PRO 516 CO 0.28 -0.26 1.16 -1.83 0.04 0.00 0.00 177.00 176.38 1pkx s GLU 517 N -1.86 4.41 0.60 4.56 1.03 -1.26 -5.00 118.70 121.18 1pkx s GLU 517 Ca 0.50 1.88 -0.17 0.00 0.03 0.00 0.00 54.97 57.20 1pkx s GLU 517 Cb -0.41 -3.00 -0.03 0.00 -0.80 0.00 0.00 34.13 29.89 1pkx s GLU 517 CO 0.55 -0.02 1.13 -0.51 -1.33 0.00 0.00 175.26 175.08 1pkx s LEU 518 N -1.85 3.59 0.14 1.83 1.43 -1.26 -5.00 118.68 117.56 1pkx s LEU 518 Ca 0.49 2.12 -0.22 0.00 -1.03 0.00 0.00 54.13 55.49 1pkx s LEU 518 Cb -0.33 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.25 1pkx s LEU 518 CO 0.42 -1.43 0.70 -0.76 0.23 0.00 0.00 176.35 175.50 1pkx s LEU 519 N -4.28 4.54 0.49 1.79 1.43 -1.26 -5.06 118.68 116.33 1pkx s LEU 519 Ca 0.71 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 1pkx s LEU 519 Cb -0.23 -3.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 1pkx s LEU 519 CO 0.34 0.21 0.88 0.42 0.23 0.00 0.00 176.35 178.42 1pkx s THR 520 N -1.19 4.74 0.38 5.49 -4.23 -1.26 -4.86 115.64 114.70 1pkx s THR 520 Ca 0.34 0.73 0.16 0.00 -1.18 0.00 0.00 61.69 61.74 1pkx s THR 520 Cb -0.21 -3.79 0.37 0.00 1.34 0.00 0.00 72.50 70.22 1pkx s THR 520 CO 0.23 -0.76 1.77 -0.33 -0.54 0.00 0.00 174.62 174.99 1pkx h GLU 521 N 0.64 0.43 -0.56 3.99 4.39 -1.99 0.14 114.58 121.61 1pkx h GLU 521 Ca -0.46 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 1pkx h GLU 521 Cb 1.19 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1pkx h GLU 521 CO 0.62 0.29 0.21 0.00 -1.16 0.00 0.00 179.01 178.98 1pkx h ALA 522 N 1.64 0.73 -0.49 3.43 0.00 -2.00 -2.16 119.26 120.42 1pkx h ALA 522 Ca 0.60 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 1pkx h ALA 522 Cb 1.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1pkx h ALA 522 CO -0.33 0.35 -0.19 0.93 0.00 0.00 0.00 179.25 180.02 1pkx h GLU 523 N 0.77 0.97 -0.85 0.00 5.08 -1.14 -2.22 114.58 117.19 1pkx h GLU 523 Ca 0.19 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1pkx h GLU 523 Cb 0.22 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1pkx h GLU 523 CO -0.01 1.07 0.50 0.87 -1.00 0.00 0.00 179.01 180.43 1pkx h LYS 524 N 0.85 1.16 -0.02 2.33 1.57 -1.12 -1.35 116.57 119.99 1pkx h LYS 524 Ca 0.12 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1pkx h LYS 524 Cb 0.75 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1pkx h LYS 524 CO 0.06 0.83 -0.41 0.87 -0.57 0.00 0.00 179.45 180.23 1pkx h LYS 525 N 1.17 0.05 -0.24 3.15 1.57 -1.20 -0.92 116.57 120.15 1pkx h LYS 525 Ca 0.30 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.90 1pkx h LYS 525 Cb -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1pkx h LYS 525 CO -0.05 0.45 -0.46 0.93 -0.57 0.00 0.00 179.45 179.74 1pkx h GLU 526 N 0.04 0.73 -0.46 3.15 5.08 -0.77 -1.95 114.58 120.40 1pkx h GLU 526 Ca 0.00 -0.47 -0.12 0.00 -1.00 0.00 0.00 59.36 57.76 1pkx h GLU 526 Cb 0.74 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1pkx h GLU 526 CO 0.05 1.09 -0.21 2.35 -1.00 0.00 0.00 179.01 181.30 1pkx h TRP 527 N 0.46 1.05 0.00 4.33 2.91 -1.07 -2.88 115.95 120.75 1pkx h TRP 527 Ca 0.01 -0.25 -0.09 0.00 1.13 0.00 0.00 58.89 59.70 1pkx h TRP 527 Cb 1.07 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.46 1pkx h TRP 527 CO 0.08 1.04 -0.41 0.28 -1.03 0.00 0.00 178.44 178.40 1pkx h VAL 528 N 0.80 1.22 0.00 2.65 2.07 -1.16 -1.86 116.25 119.97 1pkx h VAL 528 Ca 0.11 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1pkx h VAL 528 Cb 0.76 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1pkx h VAL 528 CO 0.06 0.40 0.00 -0.33 0.02 0.00 0.00 177.57 177.72 1pkx h GLU 529 N 0.00 0.00 -0.00 1.57 5.08 -1.12 -1.17 114.58 118.93 1pkx h GLU 529 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pkx h GLU 529 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1pkx h GLU 529 CO 0.05 0.00 -0.11 1.63 -1.00 0.00 0.00 179.01 179.59 1pkx n LYS 530 N -2.98 0.46 -2.47 2.33 5.02 -0.70 -4.81 118.16 115.01 1pkx n LYS 530 Ca -0.01 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 1pkx n LYS 530 Cb 0.20 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 1pkx n LYS 530 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pkx s LEU 531 N -2.62 4.29 0.21 -0.35 2.96 -0.44 -5.02 118.68 117.71 1pkx s LEU 531 Ca 0.25 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 1pkx s LEU 531 Cb 0.20 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 1pkx s LEU 531 CO 0.50 -0.55 0.09 0.42 -1.32 0.00 0.00 176.35 175.49 1pkx s THR 532 N 2.02 0.35 -1.46 3.68 -4.23 -1.26 -3.48 115.64 111.26 1pkx s THR 532 Ca 0.56 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1pkx s THR 532 Cb -0.25 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.18 1pkx s THR 532 CO 0.23 -0.13 0.54 -0.62 -0.54 0.00 0.00 174.62 174.10 1pkx n GLU 533 N -0.33 -3.55 -3.57 3.99 1.02 -0.67 -4.91 120.64 112.62 1pkx n GLU 533 Ca -0.01 0.43 -0.30 0.00 -0.02 0.00 0.00 57.16 57.26 1pkx n GLU 533 Cb 0.65 -4.74 -0.04 0.00 -0.02 0.00 0.00 31.44 27.29 1pkx n GLU 533 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pkx s VAL 534 N -3.78 5.11 0.05 2.62 1.01 0.08 -4.84 120.40 120.65 1pkx s VAL 534 Ca 0.18 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1pkx s VAL 534 Cb -0.10 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1pkx s VAL 534 CO 0.89 -0.09 -0.15 -0.44 0.00 0.00 0.00 175.10 175.30 1pkx s SER 535 N -2.71 4.00 0.02 3.32 0.01 0.14 -0.91 113.70 117.58 1pkx s SER 535 Ca 0.42 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 57.34 1pkx s SER 535 Cb -0.11 -0.70 -0.02 0.00 0.21 0.00 0.00 66.02 65.40 1pkx s SER 535 CO 0.26 0.24 -0.15 -0.63 0.41 0.00 0.00 173.24 173.37 1pkx s ILE 536 N -0.99 1.23 -0.02 1.44 1.01 0.07 -0.22 121.20 123.72 1pkx s ILE 536 Ca 0.16 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1pkx s ILE 536 Cb -0.11 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1pkx s ILE 536 CO 0.07 0.15 -0.06 -0.55 0.00 0.00 0.00 174.94 174.55 1pkx s SER 537 N -0.87 0.88 -0.04 3.58 0.15 -0.66 -0.93 113.70 115.81 1pkx s SER 537 Ca 0.04 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.62 1pkx s SER 537 Cb -0.07 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 1pkx s SER 537 CO 0.01 0.02 -0.20 -0.55 1.20 0.00 0.00 173.24 173.72 1pkx s SER 538 N 0.33 3.52 0.00 5.45 0.15 -0.84 -1.07 113.70 121.23 1pkx s SER 538 Ca -0.04 -0.35 0.27 0.00 0.70 0.00 0.00 55.95 56.53 1pkx s SER 538 Cb -0.08 -0.65 1.56 0.00 -1.71 0.00 0.00 66.02 65.14 1pkx s SER 538 CO 0.00 0.32 1.96 -0.90 1.20 0.00 0.00 173.24 175.82 1pkx n ASP 539 N 2.46 0.00 -3.77 5.45 3.85 -0.50 -4.40 116.55 119.63 1pkx n ASP 539 Ca -0.17 -0.66 -0.09 0.00 -0.71 0.00 0.00 54.79 53.16 1pkx n ASP 539 Cb 0.52 -0.08 -0.04 0.00 -1.35 0.00 0.00 41.12 40.17 1pkx n ASP 539 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1pkx s ALA 540 N -2.15 -0.87 0.85 2.12 0.00 -1.26 -0.88 121.76 119.57 1pkx s ALA 540 Ca 0.37 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 1pkx s ALA 540 Cb 0.19 0.87 0.10 0.00 0.00 0.00 0.00 23.12 24.27 1pkx s ALA 540 CO 0.34 -0.82 1.08 1.97 0.00 0.00 0.00 175.76 178.33 1pkx n PHE 541 N -0.35 0.80 -3.18 0.00 1.16 -1.25 -4.47 117.46 110.17 1pkx n PHE 541 Ca -0.09 0.39 -0.40 0.00 -1.87 0.00 0.00 57.45 55.48 1pkx n PHE 541 Cb 0.62 -2.03 -0.07 0.00 -1.61 0.00 0.00 39.48 36.39 1pkx n PHE 541 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1pkx s PHE 542 N -2.31 3.28 0.23 2.97 0.08 -1.26 -4.97 117.98 116.00 1pkx s PHE 542 Ca 0.69 0.73 -0.04 0.00 0.12 0.00 0.00 56.93 58.43 1pkx s PHE 542 Cb -0.27 -2.77 0.22 0.00 -0.57 0.00 0.00 43.02 39.64 1pkx s PHE 542 CO 0.55 -0.29 1.66 -1.35 -0.10 0.00 0.00 175.22 175.69 1pkx h PRO 543 N 7.93 0.79 -4.17 0.24 0.11 -1.97 -3.45 132.00 131.47 1pkx h PRO 543 Ca -0.28 -0.28 -0.15 0.00 0.11 0.00 0.00 66.00 65.39 1pkx h PRO 543 Cb 1.13 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.06 1pkx h PRO 543 CO 0.74 0.89 -0.45 -0.06 -0.21 0.00 0.00 178.00 178.91 1pkx s PHE 544 N -4.72 0.70 -1.34 0.65 0.08 -1.26 -4.61 117.98 107.49 1pkx s PHE 544 Ca -0.09 -1.03 0.10 0.00 0.12 0.00 0.00 56.93 56.02 1pkx s PHE 544 Cb 0.13 -0.26 0.50 0.00 -0.57 0.00 0.00 43.02 42.83 1pkx s PHE 544 CO 0.83 -0.69 1.24 2.89 -0.10 0.00 0.00 175.22 179.39 1pkx n ARG 545 N -0.22 0.11 0.26 0.44 1.85 -1.26 -2.91 116.66 114.93 1pkx n ARG 545 Ca -0.04 0.22 0.09 0.00 -1.00 0.00 0.00 57.85 57.12 1pkx n ARG 545 Cb 0.64 -1.50 0.65 0.00 -1.05 0.00 0.00 32.46 31.20 1pkx n ARG 545 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 1pkx h ASP 546 N 0.00 0.00 -0.42 2.89 2.03 -1.99 -0.73 116.42 118.20 1pkx h ASP 546 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1pkx h ASP 546 Cb 0.11 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.60 1pkx h ASP 546 CO 0.00 0.00 0.01 0.78 -1.03 0.00 0.00 179.24 179.00 1pkx h ASN 547 N 0.00 0.71 0.16 4.15 2.35 -1.92 -1.58 115.58 119.46 1pkx h ASN 547 Ca 0.00 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1pkx h ASN 547 Cb 0.01 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1pkx h ASN 547 CO -0.00 0.84 -0.08 0.58 -1.65 0.00 0.00 177.43 177.12 1pkx h VAL 548 N 0.57 0.95 -0.97 2.81 2.07 -1.53 -1.22 116.25 118.93 1pkx h VAL 548 Ca 0.12 -0.54 0.16 0.00 0.82 0.00 0.00 66.70 67.26 1pkx h VAL 548 Cb 0.47 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 1pkx h VAL 548 CO 0.02 0.12 0.61 0.44 0.02 0.00 0.00 177.57 178.78 1pkx h ASP 549 N -0.48 0.75 -0.13 0.57 3.32 -1.12 -1.09 116.42 118.24 1pkx h ASP 549 Ca -0.02 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1pkx h ASP 549 Cb 0.37 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1pkx h ASP 549 CO 0.04 0.34 -0.11 -0.09 -1.72 0.00 0.00 179.24 177.69 1pkx h ARG 550 N 0.77 0.31 -0.84 3.56 9.65 -1.13 -3.18 114.38 123.52 1pkx h ARG 550 Ca 0.51 -0.16 0.09 0.00 -1.10 0.00 0.00 59.98 59.32 1pkx h ARG 550 Cb 0.78 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.29 1pkx h ARG 550 CO -0.28 0.69 0.49 0.00 2.80 0.00 0.00 179.97 183.67 1pkx h ALA 551 N 0.61 1.20 -0.63 2.80 0.00 -0.24 -1.27 119.26 121.72 1pkx h ALA 551 Ca 0.02 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1pkx h ALA 551 Cb 0.63 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1pkx h ALA 551 CO 0.03 0.15 0.42 -0.22 0.00 0.00 0.00 179.25 179.63 1pkx h LYS 552 N 0.84 0.41 0.00 0.00 1.63 -1.22 -0.65 116.57 117.58 1pkx h LYS 552 Ca 0.40 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1pkx h LYS 552 Cb 0.33 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1pkx h LYS 552 CO -0.23 0.27 0.00 0.54 -3.45 0.00 0.00 179.45 176.58 1pkx n ARG 553 N -4.47 0.64 -1.95 1.90 1.74 -0.48 -3.14 116.66 110.90 1pkx n ARG 553 Ca 0.11 0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.11 1pkx n ARG 553 Cb 0.39 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.39 1pkx n ARG 553 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1pkx n SER 554 N -1.06 3.07 0.00 0.55 7.64 -0.27 -4.84 113.62 118.71 1pkx n SER 554 Ca 0.16 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1pkx n SER 554 Cb 0.10 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1pkx n SER 554 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pkx n GLY 555 N -0.63 0.58 3.68 0.23 0.00 -1.19 -4.81 105.19 103.06 1pkx n GLY 555 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1pkx n GLY 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkx s VAL 556 N -2.60 3.49 -0.08 1.61 1.01 -1.14 -0.74 120.40 121.95 1pkx s VAL 556 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.87 1pkx s VAL 556 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1pkx s VAL 556 CO 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 175.10 175.19 1pkx n ALA 557 N 5.70 2.27 -3.27 5.51 0.00 -0.09 -4.55 120.51 126.09 1pkx n ALA 557 Ca 0.15 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 1pkx n ALA 557 Cb 0.43 -0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 1pkx n ALA 557 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1pkx s TYR 558 N -1.66 0.42 -0.01 0.00 1.51 -1.16 -1.15 117.35 115.30 1pkx s TYR 558 Ca 0.00 -0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1pkx s TYR 558 Cb 0.02 -0.37 -0.01 0.00 -0.11 0.00 0.00 41.96 41.49 1pkx s TYR 558 CO 0.12 -0.08 -0.09 0.42 -1.11 0.00 0.00 175.55 174.81 1pkx s ILE 559 N 0.47 0.70 -0.06 2.71 1.01 -0.26 -0.75 121.20 125.03 1pkx s ILE 559 Ca -0.05 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1pkx s ILE 559 Cb -0.08 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1pkx s ILE 559 CO -0.01 0.20 -0.12 0.00 0.00 0.00 0.00 174.94 175.02 1pkx s ALA 560 N -0.15 1.21 -0.04 9.38 0.00 -0.10 -0.30 121.76 131.75 1pkx s ALA 560 Ca 0.03 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1pkx s ALA 560 Cb -0.04 -0.52 0.09 0.00 0.00 0.00 0.00 23.12 22.65 1pkx s ALA 560 CO -0.00 0.13 0.80 0.00 0.00 0.00 0.00 175.76 176.69 1pkx s ALA 561 N 0.54 -1.80 0.66 0.00 0.00 -0.98 -1.99 121.76 118.18 1pkx s ALA 561 Ca -0.12 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 1pkx s ALA 561 Cb -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 1pkx s ALA 561 CO 0.03 -0.47 1.21 -2.14 0.00 0.00 0.00 175.76 174.38 1pkx s PRO 562 N -1.93 2.60 0.87 0.00 0.02 -1.26 -1.50 135.00 133.80 1pkx s PRO 562 Ca -0.03 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 62.67 1pkx s PRO 562 Cb -0.00 -1.89 0.17 0.00 0.02 0.00 0.00 34.50 32.80 1pkx s PRO 562 CO 0.00 -1.49 1.19 -1.54 -0.33 0.00 0.00 177.00 174.84 1pkx s SER 563 N -1.84 3.58 0.00 2.53 1.04 -0.50 -3.87 113.70 114.63 1pkx s SER 563 Ca 0.76 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1pkx s SER 563 Cb -0.30 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1pkx s SER 563 CO 0.39 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.82 1pkx n GLY 564 N -3.39 1.77 3.99 7.32 0.00 -1.26 -4.65 105.19 108.97 1pkx n GLY 564 Ca 0.16 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1pkx n GLY 564 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pkx s SER 565 N 0.00 5.43 0.00 1.61 1.04 -1.26 -4.94 113.70 115.58 1pkx s SER 565 Ca 0.00 -0.15 0.31 0.00 0.48 0.00 0.00 55.95 56.59 1pkx s SER 565 Cb 0.00 -0.82 1.75 0.00 0.10 0.00 0.00 66.02 67.05 1pkx s SER 565 CO 0.00 -0.99 2.15 0.00 0.98 0.00 0.00 173.24 175.38 1pkx n ALA 566 N -2.16 2.60 1.23 5.32 0.00 -1.26 -2.06 120.51 124.18 1pkx n ALA 566 Ca 0.08 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1pkx n ALA 566 Cb 0.59 -1.50 0.29 0.00 0.00 0.00 0.00 19.45 18.83 1pkx n ALA 566 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pkx n ALA 567 N -1.11 2.90 -0.25 0.00 0.00 -1.26 -4.19 120.51 116.60 1pkx n ALA 567 Ca 0.20 -0.52 0.06 0.00 0.00 0.00 0.00 53.44 53.18 1pkx n ALA 567 Cb 0.16 -1.01 0.18 0.00 0.00 0.00 0.00 19.45 18.77 1pkx n ALA 567 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pkx h ASP 568 N 2.48 -0.17 -0.13 0.00 5.19 -1.72 0.87 116.42 122.94 1pkx h ASP 568 Ca 0.00 0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.63 1pkx h ASP 568 Cb 0.65 0.28 -0.05 0.00 0.18 0.00 0.00 39.33 40.38 1pkx h ASP 568 CO 0.00 -0.12 -0.20 0.11 -3.12 0.00 0.00 179.24 175.91 1pkx h LYS 569 N 0.17 -0.25 -0.01 3.56 6.56 -1.83 0.35 116.57 125.13 1pkx h LYS 569 Ca 0.42 0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.91 1pkx h LYS 569 Cb 0.75 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.45 1pkx h LYS 569 CO -0.60 -0.17 -0.54 0.28 -2.06 0.00 0.00 179.45 176.37 1pkx h VAL 570 N -0.26 1.39 -0.29 0.50 2.07 -1.59 -1.41 116.25 116.66 1pkx h VAL 570 Ca 0.10 -1.86 -0.10 0.00 0.82 0.00 0.00 66.70 65.66 1pkx h VAL 570 Cb 0.40 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1pkx h VAL 570 CO -0.28 0.53 -0.23 0.58 0.02 0.00 0.00 177.57 178.20 1pkx h VAL 571 N 0.01 1.30 -0.46 2.57 2.07 -0.34 -1.53 116.25 119.88 1pkx h VAL 571 Ca -0.00 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1pkx h VAL 571 Cb 0.96 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1pkx h VAL 571 CO 0.07 0.44 0.20 0.40 0.02 0.00 0.00 177.57 178.70 1pkx h ILE 572 N 0.40 1.20 -0.75 4.57 2.04 -0.12 -2.19 117.51 122.67 1pkx h ILE 572 Ca 0.05 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.38 1pkx h ILE 572 Cb 0.78 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1pkx h ILE 572 CO 0.06 0.23 0.43 -0.33 0.00 0.00 0.00 178.15 178.54 1pkx h GLU 573 N 0.60 0.76 -0.57 2.37 5.08 -1.18 -1.56 114.58 120.08 1pkx h GLU 573 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1pkx h GLU 573 Cb 0.17 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1pkx h GLU 573 CO -0.01 0.50 0.31 0.00 -1.00 0.00 0.00 179.01 178.80 1pkx h ALA 574 N 1.39 0.73 -0.70 3.43 0.00 -0.95 0.13 119.26 123.29 1pkx h ALA 574 Ca 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1pkx h ALA 574 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1pkx h ALA 574 CO -0.20 0.25 0.32 0.00 0.00 0.00 0.00 179.25 179.62 1pkx h ASP 576 N 0.97 0.78 -0.65 0.00 3.32 -0.96 0.12 116.42 120.00 1pkx h ASP 576 Ca 0.24 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1pkx h ASP 576 Cb 0.15 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1pkx h ASP 576 CO -0.03 0.79 0.43 -0.08 -1.72 0.00 0.00 179.24 178.63 1pkx h GLU 577 N 0.74 0.81 -0.42 3.56 4.81 -0.05 -2.80 114.58 121.22 1pkx h GLU 577 Ca 0.17 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1pkx h GLU 577 Cb 0.29 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1pkx h GLU 577 CO -0.00 0.53 0.00 1.28 -0.73 0.00 0.00 179.01 180.09 1pkx n LEU 578 N -4.45 3.45 -1.35 1.64 4.77 0.30 -4.96 117.00 116.40 1pkx n LEU 578 Ca 0.07 -1.51 -0.10 0.00 -0.03 0.00 0.00 56.01 54.44 1pkx n LEU 578 Cb 0.08 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1pkx n LEU 578 CO 0.35 0.76 -0.06 0.61 -1.33 0.00 0.00 177.39 177.72 1pkx n GLY 579 N 1.51 0.05 3.54 -0.72 0.00 -0.60 -5.02 105.19 103.96 1pkx n GLY 579 Ca 0.20 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1pkx n GLY 579 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkx s ILE 580 N -2.67 3.77 -0.05 -0.61 1.01 0.30 -4.92 121.20 118.04 1pkx s ILE 580 Ca 0.08 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 1pkx s ILE 580 Cb -0.03 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1pkx s ILE 580 CO 0.10 0.55 0.66 -0.63 0.00 0.00 0.00 174.94 175.62 1pkx s ILE 581 N -0.29 5.00 -0.16 2.92 1.01 -0.30 -4.24 121.20 125.14 1pkx s ILE 581 Ca 0.04 1.37 0.02 0.00 0.00 0.00 0.00 60.65 62.08 1pkx s ILE 581 Cb -0.13 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.36 1pkx s ILE 581 CO 0.02 0.30 -0.21 -0.22 0.00 0.00 0.00 174.94 174.84 1pkx s LEU 582 N 0.50 2.11 -0.30 2.97 2.96 -1.26 -1.10 118.68 124.55 1pkx s LEU 582 Ca 0.35 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 1pkx s LEU 582 Cb -0.18 -1.46 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 1pkx s LEU 582 CO 0.18 0.03 0.12 0.00 -1.32 0.00 0.00 176.35 175.36 1pkx s ALA 583 N 1.08 3.18 -0.16 5.97 0.00 0.59 -1.16 121.76 131.27 1pkx s ALA 583 Ca -0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 50.42 1pkx s ALA 583 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1pkx s ALA 583 CO -0.08 -0.90 0.27 -1.01 0.00 0.00 0.00 175.76 174.04 1pkx s HIS 584 N 1.57 3.48 0.54 0.00 3.76 -0.84 -2.32 115.29 121.47 1pkx s HIS 584 Ca 0.04 0.58 0.03 0.00 -0.15 0.00 0.00 55.06 55.55 1pkx s HIS 584 Cb -0.17 -2.29 0.02 0.00 1.11 0.00 0.00 32.58 31.25 1pkx s HIS 584 CO 0.05 0.29 0.21 0.95 -0.85 0.00 0.00 174.74 175.39 1pkx s THR 585 N 0.29 1.34 -0.16 1.30 -4.23 -0.56 -4.56 115.64 109.06 1pkx s THR 585 Ca 0.16 -1.74 0.14 0.00 -1.18 0.00 0.00 61.69 59.07 1pkx s THR 585 Cb -0.13 -2.07 0.37 0.00 1.34 0.00 0.00 72.50 72.01 1pkx s THR 585 CO 0.04 0.00 1.19 -3.20 -0.54 0.00 0.00 174.62 172.10 1pkx n ASN 586 N -1.55 1.73 -3.99 3.99 4.05 -1.26 -1.41 115.26 116.82 1pkx n ASN 586 Ca -0.11 -3.43 -0.31 0.00 0.45 0.00 0.00 54.58 51.18 1pkx n ASN 586 Cb 0.66 -0.47 -0.14 0.00 1.23 0.00 0.00 39.78 41.05 1pkx n ASN 586 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1pkx s LEU 587 N -2.70 4.55 0.34 1.20 2.96 -1.26 -5.07 118.68 118.70 1pkx s LEU 587 Ca 0.34 -2.60 -0.25 0.00 -0.22 0.00 0.00 54.13 51.40 1pkx s LEU 587 Cb 0.33 -1.64 -0.10 0.00 0.50 0.00 0.00 46.19 45.29 1pkx s LEU 587 CO -0.05 -0.31 0.97 -0.60 -1.32 0.00 0.00 176.35 175.04 1pkx s ARG 588 N 0.29 4.49 -0.35 1.98 3.52 -1.26 -4.69 118.95 122.92 1pkx s ARG 588 Ca 0.14 1.36 0.11 0.00 -0.13 0.00 0.00 55.73 57.21 1pkx s ARG 588 Cb -0.23 -2.72 0.45 0.00 -1.56 0.00 0.00 34.95 30.89 1pkx s ARG 588 CO -0.04 0.18 1.09 1.28 -0.81 0.00 0.00 175.30 177.00 1pkx n LEU 589 N 0.39 3.60 -4.76 -0.88 4.77 -0.06 -5.05 117.00 115.01 1pkx n LEU 589 Ca 0.03 -4.47 -0.38 0.00 -0.03 0.00 0.00 56.01 51.16 1pkx n LEU 589 Cb 0.50 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1pkx n LEU 589 CO 0.44 1.89 0.89 -0.36 -1.33 0.00 0.00 177.39 178.93 1pkx s PHE 590 N -3.49 2.61 -0.11 -1.77 0.08 -1.26 -4.67 117.98 109.37 1pkx s PHE 590 Ca 0.41 1.47 -0.05 0.00 0.12 0.00 0.00 56.93 58.88 1pkx s PHE 590 Cb 0.41 -3.56 0.05 0.00 -0.57 0.00 0.00 43.02 39.35 1pkx s PHE 590 CO -0.06 -2.11 0.25 -1.58 -0.10 0.00 0.00 175.22 171.61 1pkx s HIS 591 N -1.44 -0.36 0.00 0.36 5.65 -1.26 -5.01 115.29 113.23 1pkx s HIS 591 Ca 0.67 0.85 0.00 0.00 0.25 0.00 0.00 55.06 56.83 1pkx s HIS 591 Cb -0.34 -0.01 0.00 0.00 -1.18 0.00 0.00 32.58 31.05 1pkx s HIS 591 CO 0.40 -0.29 0.00 0.72 -0.65 0.00 0.00 174.74 174.93