#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkx s GLY 4 N 0.00 2.05 0.85 0.55 0.00 -1.26 -5.03 107.32 104.48 1pkx s GLY 4 Ca 0.00 -2.63 -0.12 0.00 0.00 0.00 0.00 44.72 41.97 1pkx s GLY 4 CO 0.00 1.53 1.13 -1.06 0.00 0.00 0.00 173.10 174.70 1pkx n GLN 5 N 5.66 -0.08 -3.67 2.90 6.02 -1.26 -4.50 117.38 122.45 1pkx n GLN 5 Ca 0.01 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 1pkx n GLN 5 Cb 0.44 -2.37 -0.05 0.00 1.02 0.00 0.00 30.24 29.28 1pkx n GLN 5 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pkx s LEU 6 N -5.64 4.28 -0.19 1.08 1.43 -0.46 -1.02 118.68 118.16 1pkx s LEU 6 Ca 0.70 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1pkx s LEU 6 Cb -0.27 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 42.75 1pkx s LEU 6 CO 0.54 0.07 -0.11 0.00 0.23 0.00 0.00 176.35 177.09 1pkx s ALA 7 N -1.61 1.97 -0.21 4.21 0.00 -0.35 -0.34 121.76 125.42 1pkx s ALA 7 Ca 0.39 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 1pkx s ALA 7 Cb -0.12 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 1pkx s ALA 7 CO 0.23 -0.76 0.22 -1.17 0.00 0.00 0.00 175.76 174.28 1pkx s LEU 8 N 1.41 4.16 -0.07 0.00 2.96 -0.05 -1.10 118.68 126.00 1pkx s LEU 8 Ca -0.00 0.27 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1pkx s LEU 8 Cb -0.16 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 1pkx s LEU 8 CO -0.08 0.07 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.41 1pkx s PHE 9 N 0.88 2.44 -0.41 5.38 0.40 0.43 -1.27 117.98 125.84 1pkx s PHE 9 Ca 0.11 -0.83 0.08 0.00 -0.60 0.00 0.00 56.93 55.69 1pkx s PHE 9 Cb -0.13 -1.61 0.18 0.00 0.51 0.00 0.00 43.02 41.96 1pkx s PHE 9 CO 0.04 -0.29 0.63 0.45 0.70 0.00 0.00 175.22 176.75 1pkx s SER 10 N 0.03 -1.49 -0.01 1.36 0.15 -0.57 -2.47 113.70 110.71 1pkx s SER 10 Ca -0.09 -0.82 0.04 0.00 0.70 0.00 0.00 55.95 55.78 1pkx s SER 10 Cb -0.15 1.94 -0.01 0.00 -1.71 0.00 0.00 66.02 66.09 1pkx s SER 10 CO 0.06 -0.17 -0.14 0.68 1.20 0.00 0.00 173.24 174.87 1pkx s VAL 11 N 1.82 1.07 0.04 4.45 -7.23 -1.26 -3.03 120.40 116.27 1pkx s VAL 11 Ca 0.16 -0.58 -0.05 0.00 -1.81 0.00 0.00 61.98 59.70 1pkx s VAL 11 Cb -0.04 -0.90 -0.29 0.00 0.56 0.00 0.00 36.38 35.72 1pkx s VAL 11 CO -0.07 0.30 1.02 0.28 -0.31 0.00 0.00 175.10 176.33 1pkx h SER 12 N 5.80 0.45 -3.48 4.85 0.02 -1.82 -3.41 113.55 115.95 1pkx h SER 12 Ca -0.34 -0.52 -0.71 0.00 -0.84 0.00 0.00 61.79 59.38 1pkx h SER 12 Cb 1.16 -0.15 -0.20 0.00 0.14 0.00 0.00 62.40 63.36 1pkx h SER 12 CO 0.49 1.42 -0.27 -0.62 -1.14 0.00 0.00 176.83 176.70 1pkx s ASP 13 N -7.12 6.17 0.00 3.07 2.15 -1.26 -4.93 116.67 114.74 1pkx s ASP 13 Ca -0.06 -0.83 0.25 0.00 0.43 0.00 0.00 52.55 52.34 1pkx s ASP 13 Cb 0.07 -2.20 1.09 0.00 -0.30 0.00 0.00 42.92 41.57 1pkx s ASP 13 CO 0.88 -0.57 1.74 0.29 -0.17 0.00 0.00 175.17 177.35 1pkx n LYS 14 N 5.46 1.48 -1.60 4.34 4.01 -1.26 -4.90 118.16 125.68 1pkx n LYS 14 Ca -0.09 -0.70 -0.51 0.00 -0.51 0.00 0.00 58.31 56.50 1pkx n LYS 14 Cb 0.47 -1.42 -0.06 0.00 -0.51 0.00 0.00 35.03 33.51 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 -0.11 0.02 -0.75 -0.18 -1.04 -1.26 -1.31 114.28 109.65 1pkx n THR 15 Ca 0.18 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1pkx n THR 15 Cb 0.26 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 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 2.66 0.43 0.44 3.41 0.00 -1.26 -4.82 105.19 106.06 1pkx n GLY 16 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.18 -0.66 0.99 5.85 -1.56 -2.71 115.31 116.04 1pkx h LEU 17 Ca 0.00 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.92 1pkx h LEU 17 Cb 0.05 0.38 -0.12 0.00 0.37 0.00 0.00 40.66 41.33 1pkx h LEU 17 CO 0.00 -0.60 -0.33 0.58 -0.34 0.00 0.00 178.44 177.75 1pkx h VAL 18 N -0.92 0.16 -0.65 1.05 2.07 -1.91 0.37 116.25 116.41 1pkx h VAL 18 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1pkx h VAL 18 Cb 0.78 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1pkx h VAL 18 CO -0.02 0.00 0.34 -0.33 0.02 0.00 0.00 177.57 177.58 1pkx h GLU 19 N -0.12 0.91 -0.21 1.57 3.07 -1.97 -1.42 114.58 116.40 1pkx h GLU 19 Ca 0.26 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1pkx h GLU 19 Cb 0.56 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1pkx h GLU 19 CO -0.73 0.68 -0.10 0.35 -1.40 0.00 0.00 179.01 177.81 1pkx h PHE 20 N 0.91 0.51 -0.99 4.33 3.57 -0.78 -2.79 116.94 121.70 1pkx h PHE 20 Ca 0.23 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1pkx h PHE 20 Cb 0.05 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 1pkx h PHE 20 CO 0.01 0.72 0.64 0.00 -2.23 0.00 0.00 178.31 177.45 1pkx h ALA 21 N 0.71 1.30 -0.38 2.41 0.00 -0.70 -2.44 119.26 120.16 1pkx h ALA 21 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pkx h ALA 21 Cb 0.59 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1pkx h ALA 21 CO 0.03 0.54 0.16 0.00 0.00 0.00 0.00 179.25 179.99 1pkx h ARG 22 N 1.25 0.33 -0.40 0.00 2.47 -1.15 0.16 114.38 117.04 1pkx h ARG 22 Ca 0.39 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.08 1pkx h ARG 22 Cb -0.01 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 1pkx h ARG 22 CO -0.12 0.22 0.20 -0.91 0.56 0.00 0.00 179.97 179.92 1pkx h ASN 23 N 0.34 0.51 -0.07 7.04 2.35 -1.19 -0.07 115.58 124.49 1pkx h ASN 23 Ca 0.17 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1pkx h ASN 23 Cb 0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1pkx h ASN 23 CO -0.15 0.47 -0.26 -0.07 -1.65 0.00 0.00 177.43 175.78 1pkx h LEU 24 N 0.51 0.51 0.19 1.61 3.38 -1.16 -1.47 115.31 118.87 1pkx h LEU 24 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1pkx h LEU 24 Cb 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1pkx h LEU 24 CO -0.02 0.76 -0.09 0.74 0.09 0.00 0.00 178.44 179.92 1pkx h THR 25 N 0.45 0.89 0.00 0.22 2.02 -0.36 -0.83 112.91 115.29 1pkx h THR 25 Ca 0.06 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1pkx h THR 25 Cb 0.69 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1pkx h THR 25 CO 0.05 0.09 0.00 0.00 0.37 0.00 0.00 175.52 176.03 1pkx n ALA 26 N -2.31 1.95 -0.33 6.16 0.00 -0.07 -1.59 120.51 124.32 1pkx n ALA 26 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1pkx n ALA 26 Cb 0.19 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.71 1pkx n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pkx n LEU 27 N -0.48 2.31 0.00 0.00 7.94 -0.39 -4.97 117.00 121.41 1pkx n LEU 27 Ca 0.00 -2.31 0.00 0.00 -1.11 0.00 0.00 56.01 52.59 1pkx n LEU 27 Cb 0.00 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1pkx n LEU 27 CO 0.00 0.59 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 1pkx n GLY 28 N -0.58 0.71 3.89 -3.96 0.00 -0.62 -5.02 105.19 99.61 1pkx n GLY 28 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 4.38 -0.16 0.99 1.43 -0.78 -4.39 118.68 120.15 1pkx s LEU 29 Ca 0.00 0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 53.41 1pkx s LEU 29 Cb 0.00 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1pkx s LEU 29 CO 0.00 0.32 0.32 0.20 0.23 0.00 0.00 176.35 177.42 1pkx s ASN 30 N -1.50 6.45 0.18 2.29 0.01 -0.19 -4.22 114.94 117.96 1pkx s ASN 30 Ca 0.22 0.53 -0.28 0.00 -0.71 0.00 0.00 52.86 52.61 1pkx s ASN 30 Cb -0.13 -2.19 -0.08 0.00 0.41 0.00 0.00 41.25 39.26 1pkx s ASN 30 CO 0.12 0.07 0.89 -0.76 -1.51 0.00 0.00 177.10 175.91 1pkx s LEU 31 N 0.58 4.59 -0.01 0.60 1.02 -1.26 -1.21 118.68 122.99 1pkx s LEU 31 Ca 0.17 1.80 0.00 0.00 0.02 0.00 0.00 54.13 56.13 1pkx s LEU 31 Cb -0.13 -3.49 0.01 0.00 0.02 0.00 0.00 46.19 42.60 1pkx s LEU 31 CO 0.05 0.12 -0.00 -0.69 0.02 0.00 0.00 176.35 175.84 1pkx s VAL 32 N -0.84 0.12 0.07 -1.59 1.01 -0.26 -1.70 120.40 117.20 1pkx s VAL 32 Ca 0.41 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 1pkx s VAL 32 Cb -0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1pkx s VAL 32 CO 0.29 0.09 0.16 0.00 0.00 0.00 0.00 175.10 175.64 1pkx s ALA 33 N 0.55 -0.17 0.82 5.51 0.00 -0.62 -0.43 121.76 127.42 1pkx s ALA 33 Ca -0.05 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1pkx s ALA 33 Cb -0.08 0.40 0.09 0.00 0.00 0.00 0.00 23.12 23.53 1pkx s ALA 33 CO -0.01 -0.45 1.16 -1.54 0.00 0.00 0.00 175.76 174.92 1pkx s SER 34 N -2.65 4.36 0.00 0.00 1.04 -1.03 -2.22 113.70 113.20 1pkx s SER 34 Ca 0.02 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1pkx s SER 34 Cb 0.03 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1pkx s SER 34 CO -0.09 -2.00 0.41 0.61 0.98 0.00 0.00 173.24 173.15 1pkx n GLY 35 N -3.02 -2.02 0.12 7.32 0.00 -1.26 -0.42 105.19 105.91 1pkx n GLY 35 Ca 0.08 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 1pkx n GLY 35 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pkx h GLY 36 N 0.00 0.20 1.06 -0.02 0.00 -1.96 -2.37 103.07 99.98 1pkx h GLY 36 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1pkx h GLY 36 CO 0.00 -0.08 0.48 -0.84 0.00 0.00 0.00 176.54 176.10 1pkx h THR 37 N 0.02 1.26 -0.49 4.70 2.02 -1.80 -1.93 112.91 116.68 1pkx h THR 37 Ca 0.12 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1pkx h THR 37 Cb 0.17 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1pkx h THR 37 CO -0.24 0.29 0.19 0.00 0.37 0.00 0.00 175.52 176.13 1pkx h ALA 38 N 1.29 0.64 -0.67 6.16 0.00 -0.47 -1.89 119.26 124.33 1pkx h ALA 38 Ca 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1pkx h ALA 38 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1pkx h ALA 38 CO -0.05 0.26 0.17 -0.22 0.00 0.00 0.00 179.25 179.41 1pkx h LYS 39 N 0.66 1.04 -0.93 0.00 3.64 -1.22 -1.63 116.57 118.13 1pkx h LYS 39 Ca 0.16 -0.23 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1pkx h LYS 39 Cb 0.21 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 1pkx h LYS 39 CO -0.01 0.92 0.58 0.00 -2.27 0.00 0.00 179.45 178.66 1pkx h ALA 40 N 1.19 1.32 -0.10 5.00 0.00 -0.81 -1.08 119.26 124.78 1pkx h ALA 40 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1pkx h ALA 40 Cb 0.33 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pkx h ALA 40 CO -0.00 0.29 -0.71 -0.07 0.00 0.00 0.00 179.25 178.76 1pkx h LEU 41 N 1.01 0.79 -1.13 0.00 3.38 -1.02 -3.22 115.31 115.12 1pkx h LEU 41 Ca 0.42 -0.66 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1pkx h LEU 41 Cb 0.27 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1pkx h LEU 41 CO -0.21 1.34 0.59 0.03 0.09 0.00 0.00 178.44 180.28 1pkx h ARG 42 N 0.31 1.16 0.00 1.13 3.08 -0.85 0.39 114.38 119.60 1pkx h ARG 42 Ca -0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1pkx h ARG 42 Cb 1.36 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1pkx h ARG 42 CO 0.14 0.77 0.00 -0.25 -1.07 0.00 0.00 179.97 179.56 1pkx n ASP 43 N -4.41 0.51 -1.15 7.04 8.00 -0.45 -1.15 116.55 124.95 1pkx n ASP 43 Ca 0.10 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.36 1pkx n ASP 43 Cb 0.03 -0.74 0.21 0.00 -0.02 0.00 0.00 41.12 40.60 1pkx n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pkx n ALA 44 N -1.72 2.42 -1.36 2.24 0.00 0.09 -4.97 120.51 117.21 1pkx n ALA 44 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1pkx n ALA 44 Cb 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.49 0.39 3.83 0.00 0.00 -0.30 -5.06 105.19 105.54 1pkx n GLY 45 Ca 0.19 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 4.11 0.04 0.99 1.43 -0.95 -5.02 118.68 119.27 1pkx s LEU 46 Ca 0.00 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 1pkx s LEU 46 Cb 0.00 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 1pkx s LEU 46 CO 0.00 0.31 1.11 0.00 0.23 0.00 0.00 176.35 178.00 1pkx s ALA 47 N -1.16 3.30 -0.10 4.21 0.00 -1.26 -4.21 121.76 122.53 1pkx s ALA 47 Ca 0.21 0.73 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 1pkx s ALA 47 Cb -0.12 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.64 1pkx s ALA 47 CO 0.12 -0.35 0.46 0.54 0.00 0.00 0.00 175.76 176.53 1pkx s VAL 48 N 1.02 0.02 -0.02 0.00 0.11 -1.26 -4.56 120.40 115.71 1pkx s VAL 48 Ca 0.56 -0.15 -0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1pkx s VAL 48 Cb -0.26 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1pkx s VAL 48 CO 0.29 -0.08 0.05 -0.13 -3.33 0.00 0.00 175.10 171.89 1pkx s ARG 49 N -0.52 2.98 0.35 1.54 0.52 -0.69 -4.99 118.95 118.14 1pkx s ARG 49 Ca -0.06 -0.50 -0.26 0.00 -0.52 0.00 0.00 55.73 54.39 1pkx s ARG 49 Cb -0.03 -2.80 -0.09 0.00 0.52 0.00 0.00 34.95 32.54 1pkx s ARG 49 CO 0.04 0.65 1.01 -0.51 0.02 0.00 0.00 175.30 176.51 1pkx s ASP 50 N -1.56 7.07 0.41 0.23 1.11 -1.26 -1.59 116.67 121.08 1pkx s ASP 50 Ca 0.20 1.98 0.12 0.00 0.18 0.00 0.00 52.55 55.03 1pkx s ASP 50 Cb -0.12 -2.59 0.96 0.00 1.07 0.00 0.00 42.92 42.24 1pkx s ASP 50 CO 0.11 -0.27 1.95 0.58 1.18 0.00 0.00 175.17 178.72 1pkx h VAL 51 N 2.48 0.89 -0.09 -1.27 2.07 -1.81 0.11 116.25 118.63 1pkx h VAL 51 Ca -0.47 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1pkx h VAL 51 Cb 1.20 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1pkx h VAL 51 CO 0.64 0.09 0.16 0.77 0.02 0.00 0.00 177.57 179.25 1pkx h SER 52 N 0.51 0.00 1.09 0.57 4.64 -1.88 -0.55 113.55 117.93 1pkx h SER 52 Ca 0.32 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.54 1pkx h SER 52 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1pkx h SER 52 CO -0.10 0.00 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.05 1pkx h GLU 53 N 0.00 0.00 0.00 4.77 5.08 -1.30 0.40 114.58 123.53 1pkx h GLU 53 Ca 0.04 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.17 1pkx h GLU 53 Cb 0.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1pkx h GLU 53 CO -0.00 0.48 -1.54 -0.07 -1.00 0.00 0.00 179.01 176.88 1pkx h LEU 54 N 0.00 0.00 0.01 1.33 4.07 -1.22 -3.40 115.31 116.10 1pkx h LEU 54 Ca -0.00 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.60 1pkx h LEU 54 Cb 1.15 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.83 1pkx h LEU 54 CO 0.06 0.80 -2.24 0.35 -1.08 0.00 0.00 178.44 176.34 1pkx n THR 55 N -2.98 1.50 -0.57 0.22 -2.24 -0.83 -4.79 114.28 104.59 1pkx n THR 55 Ca -0.13 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1pkx n THR 55 Cb 0.95 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.87 0.76 3.19 3.38 0.00 0.14 -5.00 105.19 109.53 1pkx n GLY 56 Ca -0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.71 2.72 0.71 1.61 0.40 -1.24 -5.05 117.98 114.42 1pkx s PHE 57 Ca 0.00 -1.30 -0.11 0.00 -0.60 0.00 0.00 56.93 54.92 1pkx s PHE 57 Cb 0.00 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.70 1pkx s PHE 57 CO 0.00 -0.60 1.08 -2.14 0.70 0.00 0.00 175.22 174.25 1pkx s PRO 58 N 0.90 2.70 0.35 0.24 0.02 -1.26 -4.39 135.00 133.55 1pkx s PRO 58 Ca -0.05 1.09 -0.29 0.00 0.02 0.00 0.00 61.00 61.78 1pkx s PRO 58 Cb -0.15 -1.95 -0.11 0.00 0.02 0.00 0.00 34.50 32.31 1pkx s PRO 58 CO -0.03 -1.29 1.42 -1.21 -0.33 0.00 0.00 177.00 175.55 1pkx s GLU 59 N -4.84 4.22 0.26 5.54 2.02 -1.26 -4.93 118.70 119.70 1pkx s GLU 59 Ca 0.60 2.41 0.01 0.00 0.02 0.00 0.00 54.97 58.02 1pkx s GLU 59 Cb -0.16 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 1pkx s GLU 59 CO 0.53 -0.40 0.12 0.00 0.02 0.00 0.00 175.26 175.54 1pkx s MET 60 N -1.77 1.41 -1.44 1.61 0.23 -0.89 -4.86 119.30 113.59 1pkx s MET 60 Ca 0.52 -1.77 -0.08 0.00 -1.03 0.00 0.00 55.69 53.33 1pkx s MET 60 Cb -0.44 -0.08 0.05 0.00 -1.53 0.00 0.00 34.83 32.83 1pkx s MET 60 CO 0.57 -0.36 0.88 1.28 -2.03 0.00 0.00 175.02 175.35 1pkx n LEU 61 N -0.45 -2.78 -3.21 0.18 4.77 -1.26 -2.03 117.00 112.23 1pkx n LEU 61 Ca 0.01 -0.79 -0.22 0.00 -0.03 0.00 0.00 56.01 54.97 1pkx n LEU 61 Cb 0.66 -2.60 0.06 0.00 -2.33 0.00 0.00 43.42 39.20 1pkx n LEU 61 CO 0.36 0.45 0.12 0.61 -1.33 0.00 0.00 177.39 177.60 1pkx n GLY 62 N -1.67 -0.49 2.13 -0.72 0.00 -1.26 -2.46 105.19 100.72 1pkx n GLY 62 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.73 0.63 0.15 -0.02 0.00 -0.86 -4.91 105.19 98.44 1pkx n GLY 63 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 1.60 0.00 -3.89 1.61 3.08 -1.32 -3.41 114.38 112.05 1pkx h ARG 64 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1pkx h ARG 64 Cb 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.66 1pkx h ARG 64 CO 0.00 0.54 -0.77 0.08 -1.07 0.00 0.00 179.97 178.74 1pkx s VAL 65 N -3.56 0.95 0.00 2.04 1.01 -1.19 -4.68 120.40 114.97 1pkx s VAL 65 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1pkx s VAL 65 Cb 0.12 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1pkx s VAL 65 CO 0.74 -0.16 0.00 0.29 0.00 0.00 0.00 175.10 175.97 1pkx n LYS 66 N 4.89 0.65 0.00 2.72 5.02 -1.26 -2.11 118.16 128.08 1pkx n LYS 66 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1pkx n LYS 66 Cb 0.46 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 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 -1.51 0.62 -2.14 -0.18 -2.24 -1.26 -4.82 114.28 102.76 1pkx n THR 67 Ca 0.00 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 1pkx n THR 67 Cb 0.18 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.31 6.46 -3.88 3.22 4.77 -1.26 -4.68 117.00 121.32 1pkx n LEU 68 Ca 0.00 -4.33 -0.11 0.00 -0.03 0.00 0.00 56.01 51.54 1pkx n LEU 68 Cb 0.25 -1.60 -0.10 0.00 -2.33 0.00 0.00 43.42 39.65 1pkx n LEU 68 CO 0.00 1.08 -0.18 -2.28 -1.33 0.00 0.00 177.39 174.68 1pkx s HIS 69 N 2.14 0.07 0.48 -1.77 2.46 -1.26 -5.06 115.29 112.34 1pkx s HIS 69 Ca 0.45 -0.20 0.15 0.00 0.47 0.00 0.00 55.06 55.92 1pkx s HIS 69 Cb 0.10 -0.06 1.14 0.00 -0.13 0.00 0.00 32.58 33.63 1pkx s HIS 69 CO -0.03 -0.30 2.08 -1.35 -2.47 0.00 0.00 174.74 172.66 1pkx h PRO 70 N 4.15 0.21 -0.92 2.88 0.11 -1.98 -1.35 132.00 135.10 1pkx h PRO 70 Ca -0.31 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.88 1pkx h PRO 70 Cb 1.19 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 1pkx h PRO 70 CO 0.42 0.14 0.59 0.00 -0.21 0.00 0.00 178.00 178.94 1pkx h ALA 71 N 1.85 1.60 0.20 -0.75 0.00 -1.94 0.33 119.26 120.54 1pkx h ALA 71 Ca 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pkx h ALA 71 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pkx h ALA 71 CO -0.02 0.21 -0.09 0.28 0.00 0.00 0.00 179.25 179.63 1pkx h VAL 72 N 0.93 0.32 -0.08 0.00 2.07 -1.56 -3.02 116.25 114.91 1pkx h VAL 72 Ca 0.42 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 1pkx h VAL 72 Cb 0.39 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1pkx h VAL 72 CO -0.19 0.09 -0.50 0.45 0.02 0.00 0.00 177.57 177.45 1pkx h HIS 73 N -1.02 0.25 -0.27 1.57 3.86 -1.22 -2.20 115.15 116.11 1pkx h HIS 73 Ca -0.03 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.01 1pkx h HIS 73 Cb 0.35 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1pkx h HIS 73 CO 0.04 0.67 -0.22 0.00 0.86 0.00 0.00 177.93 179.28 1pkx h ALA 74 N 1.32 1.13 -0.42 2.45 0.00 -0.52 0.34 119.26 123.57 1pkx h ALA 74 Ca 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1pkx h ALA 74 Cb 0.94 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1pkx h ALA 74 CO 0.08 0.54 0.21 0.78 0.00 0.00 0.00 179.25 180.86 1pkx h GLY 75 N 0.99 0.61 0.89 0.00 0.00 -1.27 -0.40 103.07 103.89 1pkx h GLY 75 Ca 0.07 -0.27 -0.34 0.00 0.00 0.00 0.00 47.33 46.80 1pkx h GLY 75 CO 0.04 0.26 -1.79 -2.22 0.00 0.00 0.00 176.54 172.84 1pkx h ILE 76 N 0.58 0.85 0.00 2.60 2.04 -0.91 -0.33 117.51 122.35 1pkx h ILE 76 Ca 0.15 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1pkx h ILE 76 Cb 0.05 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1pkx h ILE 76 CO -0.02 0.81 -0.80 -0.07 0.00 0.00 0.00 178.15 178.06 1pkx h LEU 77 N 0.07 0.00-10.00 1.44 3.38 -0.22 -3.46 115.31 106.52 1pkx h LEU 77 Ca -0.34 -0.06 -0.54 0.00 0.09 0.00 0.00 57.88 57.02 1pkx h LEU 77 Cb 2.04 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.91 1pkx h LEU 77 CO 0.12 0.03 0.67 0.00 0.09 0.00 0.00 178.44 179.36 1pkx s ALA 78 N -3.29 3.14 0.40 1.53 0.00 -0.17 -5.01 121.76 118.35 1pkx s ALA 78 Ca 0.02 1.42 0.08 0.00 0.00 0.00 0.00 51.96 53.47 1pkx s ALA 78 Cb 0.10 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1pkx s ALA 78 CO 0.76 -1.21 0.09 1.03 0.00 0.00 0.00 175.76 176.43 1pkx s ARG 79 N -2.55 2.11 -1.22 0.00 0.52 -1.26 -5.04 118.95 111.51 1pkx s ARG 79 Ca 0.63 -1.92 -0.14 0.00 -0.52 0.00 0.00 55.73 53.78 1pkx s ARG 79 Cb -0.42 -1.86 0.16 0.00 0.52 0.00 0.00 34.95 33.35 1pkx s ARG 79 CO 0.54 -0.05 1.47 1.21 0.02 0.00 0.00 175.30 178.49 1pkx s ASN 80 N -3.80 7.05 0.06 0.23 3.84 -1.26 -4.38 114.94 116.68 1pkx s ASN 80 Ca 0.38 -2.94 -0.08 0.00 0.21 0.00 0.00 52.86 50.43 1pkx s ASN 80 Cb 0.05 -2.42 -0.01 0.00 -0.55 0.00 0.00 41.25 38.33 1pkx s ASN 80 CO 0.20 -0.79 0.15 0.27 -2.79 0.00 0.00 177.10 174.15 1pkx s ILE 81 N 1.85 0.14 0.00 -5.21 -4.36 -1.26 -5.03 121.20 107.33 1pkx s ILE 81 Ca 0.44 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1pkx s ILE 81 Cb -0.02 -1.14 0.00 0.00 1.25 0.00 0.00 42.46 42.55 1pkx s ILE 81 CO 0.01 -0.63 0.75 -2.65 0.24 0.00 0.00 174.94 172.66 1pkx n PRO 82 N 0.35 0.00 -0.34 0.37 -0.02 -1.26 -0.76 135.00 133.34 1pkx n PRO 82 Ca -0.17 0.75 0.16 0.00 -2.02 0.00 0.00 63.50 62.22 1pkx n PRO 82 Cb 0.60 -1.21 0.37 0.00 -0.02 0.00 0.00 33.50 33.24 1pkx n PRO 82 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1pkx h GLU 83 N 0.00 0.57 -0.01 -0.52 9.09 -1.98 0.21 114.58 121.94 1pkx h GLU 83 Ca 0.00 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.37 1pkx h GLU 83 Cb 0.00 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 26.97 1pkx h GLU 83 CO 0.00 0.38 -0.00 -0.44 0.05 0.00 0.00 179.01 178.99 1pkx h ASP 84 N 0.59 0.02 -0.80 3.06 5.19 -1.75 0.14 116.42 122.87 1pkx h ASP 84 Ca 0.63 -0.38 0.05 0.00 -0.62 0.00 0.00 57.03 56.71 1pkx h ASP 84 Cb 1.16 -0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.62 1pkx h ASP 84 CO -0.47 0.39 0.53 0.78 -3.12 0.00 0.00 179.24 177.35 1pkx h ASN 85 N -0.35 0.80 -0.21 6.45 2.35 0.16 -0.08 115.58 124.69 1pkx h ASN 85 Ca 0.00 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1pkx h ASN 85 Cb 0.38 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1pkx h ASN 85 CO 0.00 0.53 -0.11 0.00 -1.65 0.00 0.00 177.43 176.20 1pkx h ALA 86 N 1.55 0.30 -0.80 -0.83 0.00 -0.45 -2.51 119.26 116.52 1pkx h ALA 86 Ca 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pkx h ALA 86 Cb 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1pkx h ALA 86 CO -0.11 0.15 0.52 -0.44 0.00 0.00 0.00 179.25 179.36 1pkx h ASP 87 N 0.15 0.94 0.31 0.00 3.45 0.08 -2.13 116.42 119.22 1pkx h ASP 87 Ca 0.05 -0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.38 1pkx h ASP 87 Cb 0.61 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 1pkx h ASP 87 CO 0.03 0.70 -0.38 0.24 -1.57 0.00 0.00 179.24 178.26 1pkx h MET 88 N 1.09 0.10 -0.11 3.56 2.86 -1.01 -2.23 114.93 119.19 1pkx h MET 88 Ca 0.29 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 1pkx h MET 88 Cb -0.10 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1pkx h MET 88 CO -0.06 0.47 -0.25 0.00 1.06 0.00 0.00 176.91 178.13 1pkx h ALA 89 N 1.53 0.18 0.00 6.32 0.00 -1.06 0.21 119.26 126.44 1pkx h ALA 89 Ca 0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1pkx h ALA 89 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1pkx h ALA 89 CO 0.05 0.16 -0.21 0.07 0.00 0.00 0.00 179.25 179.33 1pkx h ARG 90 N -0.07 0.00 0.00 0.00 0.11 -1.33 -1.72 114.38 111.37 1pkx h ARG 90 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1pkx h ARG 90 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1pkx h ARG 90 CO 0.05 0.21 -0.82 1.28 0.10 0.00 0.00 179.97 180.79 1pkx n LEU 91 N -4.01 0.71 -3.57 0.08 7.99 -0.85 -4.98 117.00 112.38 1pkx n LEU 91 Ca -0.02 -0.20 -0.21 0.00 -0.01 0.00 0.00 56.01 55.58 1pkx n LEU 91 Cb 0.29 -0.12 0.07 0.00 -0.11 0.00 0.00 43.42 43.55 1pkx n LEU 91 CO 0.35 0.16 0.10 -0.67 -1.51 0.00 0.00 177.39 175.81 1pkx n ASP 92 N -1.60 -3.01 -4.55 -1.43 2.03 0.55 -5.00 116.55 103.53 1pkx n ASP 92 Ca 0.04 -0.66 -0.34 0.00 0.52 0.00 0.00 54.79 54.35 1pkx n ASP 92 Cb 0.36 -4.75 -0.11 0.00 -0.72 0.00 0.00 41.12 35.89 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 -3.42 3.03 0.49 -0.67 0.08 -0.09 -5.03 117.98 112.37 1pkx s PHE 93 Ca 0.19 -0.13 -0.06 0.00 0.12 0.00 0.00 56.93 57.05 1pkx s PHE 93 Cb -0.09 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1pkx s PHE 93 CO 0.76 0.15 0.80 0.54 -0.10 0.00 0.00 175.22 177.37 1pkx s ASN 94 N -0.16 6.24 0.17 1.36 2.20 -1.26 -4.72 114.94 118.78 1pkx s ASN 94 Ca 0.03 0.95 -0.19 0.00 -0.94 0.00 0.00 52.86 52.71 1pkx s ASN 94 Cb -0.13 -2.24 -0.08 0.00 -2.00 0.00 0.00 41.25 36.80 1pkx s ASN 94 CO 0.02 -0.61 0.67 -0.76 -2.94 0.00 0.00 177.10 173.48 1pkx s LEU 95 N -4.77 4.41 -0.23 3.54 1.43 -1.26 -4.48 118.68 117.31 1pkx s LEU 95 Ca 0.48 1.36 -0.09 0.00 -1.03 0.00 0.00 54.13 54.85 1pkx s LEU 95 Cb -0.10 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1pkx s LEU 95 CO 0.45 0.11 0.12 -0.63 0.23 0.00 0.00 176.35 176.63 1pkx s ILE 96 N -1.39 4.92 -0.12 -0.59 1.01 -0.13 -1.35 121.20 123.54 1pkx s ILE 96 Ca 0.39 0.03 0.20 0.00 0.00 0.00 0.00 60.65 61.26 1pkx s ILE 96 Cb -0.18 -3.28 -0.28 0.00 0.01 0.00 0.00 42.46 38.73 1pkx s ILE 96 CO 0.21 0.36 0.30 -1.14 0.00 0.00 0.00 174.94 174.67 1pkx n ARG 97 N 4.39 0.67 -4.44 2.79 0.63 0.54 -4.62 116.66 116.62 1pkx n ARG 97 Ca -0.16 -0.07 -0.20 0.00 -0.92 0.00 0.00 57.85 56.50 1pkx n ARG 97 Cb 0.52 -1.54 -0.15 0.00 0.45 0.00 0.00 32.46 31.73 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 -2.96 0.83 -0.14 5.15 1.01 -1.18 -0.85 120.40 122.25 1pkx s VAL 98 Ca -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1pkx s VAL 98 Cb 0.10 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.80 1pkx s VAL 98 CO 0.86 0.25 -0.04 -0.69 0.00 0.00 0.00 175.10 175.48 1pkx s VAL 99 N -0.02 0.93 -0.27 2.92 1.01 -0.04 -0.87 120.40 124.07 1pkx s VAL 99 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1pkx s VAL 99 Cb -0.06 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1pkx s VAL 99 CO 0.00 0.17 0.01 0.00 0.00 0.00 0.00 175.10 175.28 1pkx s ALA 100 N 1.72 2.89 -0.12 5.51 0.00 -0.39 -1.01 121.76 130.36 1pkx s ALA 100 Ca 0.02 -1.44 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 1pkx s ALA 100 Cb -0.14 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.10 1pkx s ALA 100 CO -0.07 -0.84 0.30 0.00 0.00 0.00 0.00 175.76 175.14 1pkx s ASN 102 N 0.75 2.48 0.31 0.00 0.01 -1.17 -4.10 114.94 113.22 1pkx s ASN 102 Ca -0.05 -0.71 0.06 0.00 -0.71 0.00 0.00 52.86 51.46 1pkx s ASN 102 Cb -0.06 -0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.45 1pkx s ASN 102 CO -0.05 0.03 0.43 -0.76 -1.51 0.00 0.00 177.10 175.24 1pkx s LEU 103 N -2.00 4.06 0.24 0.60 1.43 -1.26 -3.37 118.68 118.38 1pkx s LEU 103 Ca 0.07 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.74 1pkx s LEU 103 Cb -0.09 -2.76 -0.14 0.00 0.03 0.00 0.00 46.19 43.23 1pkx s LEU 103 CO 0.04 -0.32 1.32 -1.22 0.23 0.00 0.00 176.35 176.41 1pkx n TYR 104 N -1.56 1.93 -0.59 0.29 4.01 -1.26 -4.65 117.16 115.32 1pkx n TYR 104 Ca -0.03 0.51 -0.29 0.00 -0.16 0.00 0.00 57.90 57.93 1pkx n TYR 104 Cb 0.58 -2.41 -0.05 0.00 -0.31 0.00 0.00 39.34 37.15 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 1.79 0.81 0.06 -0.72 -0.04 -1.26 -4.72 135.00 130.91 1pkx n PRO 105 Ca 0.12 -1.19 -0.13 0.00 -0.04 0.00 0.00 63.50 62.26 1pkx n PRO 105 Cb 0.30 -2.48 -0.08 0.00 -0.04 0.00 0.00 33.50 31.21 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 8.21 -0.09 -0.69 0.54 3.57 -1.87 -2.01 116.94 124.61 1pkx h PHE 106 Ca 0.29 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1pkx h PHE 106 Cb 0.41 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1pkx h PHE 106 CO 1.52 0.09 0.43 0.28 -2.23 0.00 0.00 178.31 178.40 1pkx h VAL 107 N -0.25 1.09 -0.43 1.41 2.07 -1.93 -1.52 116.25 116.69 1pkx h VAL 107 Ca -0.01 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 1pkx h VAL 107 Cb 0.22 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1pkx h VAL 107 CO 0.02 0.15 -0.31 0.11 0.02 0.00 0.00 177.57 177.56 1pkx h LYS 108 N 0.84 0.97 0.09 1.57 1.57 -1.96 -2.58 116.57 117.07 1pkx h LYS 108 Ca 0.28 -0.47 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1pkx h LYS 108 Cb 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1pkx h LYS 108 CO -0.11 1.13 -0.11 1.15 -0.57 0.00 0.00 179.45 180.94 1pkx h THR 109 N 0.81 0.74 0.00 -0.16 2.02 -0.89 -1.58 112.91 113.85 1pkx h THR 109 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1pkx h THR 109 Cb 0.90 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1pkx h THR 109 CO 0.08 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.30 1pkx n VAL 110 N -5.23 0.32 0.03 3.16 0.24 -0.61 -1.85 118.33 114.38 1pkx n VAL 110 Ca -0.07 0.08 -0.05 0.00 -2.04 0.00 0.00 64.34 62.26 1pkx n VAL 110 Cb 0.15 -0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 31.70 1pkx n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pkx h ALA 111 N 3.03 0.63 -2.94 2.33 0.00 -0.90 -3.47 119.26 117.95 1pkx h ALA 111 Ca 0.00 -1.06 -0.55 0.00 0.00 0.00 0.00 54.91 53.30 1pkx h ALA 111 Cb 0.21 0.22 0.13 0.00 0.00 0.00 0.00 17.79 18.35 1pkx h ALA 111 CO 0.00 1.22 0.59 0.43 0.00 0.00 0.00 179.25 181.49 1pkx n SER 112 N -3.10 2.79 -4.74 0.00 7.64 -0.71 -4.94 113.62 110.56 1pkx n SER 112 Ca -0.09 1.04 -0.42 0.00 1.01 0.00 0.00 58.87 60.42 1pkx n SER 112 Cb 0.93 -1.56 -0.02 0.00 -1.01 0.00 0.00 64.21 62.55 1pkx n SER 112 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1pkx s PRO 113 N -2.59 4.13 -1.42 1.43 0.02 -1.26 -3.23 135.00 132.07 1pkx s PRO 113 Ca 0.66 2.57 -0.10 0.00 0.02 0.00 0.00 61.00 64.15 1pkx s PRO 113 Cb -0.45 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.07 1pkx s PRO 113 CO 0.54 -0.67 1.05 0.41 -0.33 0.00 0.00 177.00 177.99 1pkx n GLY 114 N 2.89 -0.49 3.78 0.52 0.00 -1.26 -4.97 105.19 105.66 1pkx n GLY 114 Ca 0.11 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.34 4.10 0.20 1.61 0.11 -1.20 -5.06 120.40 116.82 1pkx s VAL 115 Ca 0.54 1.70 0.06 0.00 -2.93 0.00 0.00 61.98 61.34 1pkx s VAL 115 Cb -0.26 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 1pkx s VAL 115 CO 0.78 0.10 0.16 0.42 -3.33 0.00 0.00 175.10 173.23 1pkx s THR 116 N -1.64 4.47 0.22 5.04 -4.23 -1.26 -5.00 115.64 113.24 1pkx s THR 116 Ca 0.52 -1.22 -0.08 0.00 -1.18 0.00 0.00 61.69 59.73 1pkx s THR 116 Cb -0.19 -3.34 0.19 0.00 1.34 0.00 0.00 72.50 70.50 1pkx s THR 116 CO 0.25 -0.21 1.71 0.58 -0.54 0.00 0.00 174.62 176.40 1pkx h VAL 117 N 1.81 0.61 -0.45 2.29 2.07 -1.99 -1.02 116.25 119.58 1pkx h VAL 117 Ca -0.48 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1pkx h VAL 117 Cb 1.22 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1pkx h VAL 117 CO 0.62 0.05 0.12 -0.33 0.02 0.00 0.00 177.57 178.06 1pkx h GLU 118 N 0.30 0.27 -0.27 1.57 3.07 -1.99 0.14 114.58 117.66 1pkx h GLU 118 Ca 0.36 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 1pkx h GLU 118 Cb 0.55 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1pkx h GLU 118 CO -0.43 0.18 0.06 0.93 -1.40 0.00 0.00 179.01 178.35 1pkx h GLU 119 N 0.27 0.43 0.15 2.33 5.08 -1.72 -2.56 114.58 118.57 1pkx h GLU 119 Ca 0.22 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1pkx h GLU 119 Cb 0.25 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1pkx h GLU 119 CO -0.25 0.52 -0.14 0.00 -1.00 0.00 0.00 179.01 178.14 1pkx h ALA 120 N 0.89 -0.29 -0.97 3.43 0.00 -0.75 -2.79 119.26 118.79 1pkx h ALA 120 Ca 0.08 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1pkx h ALA 120 Cb 0.29 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 1pkx h ALA 120 CO 0.00 -0.68 0.58 0.28 0.00 0.00 0.00 179.25 179.43 1pkx h VAL 121 N -0.32 0.78 0.00 0.00 2.07 -0.69 0.14 116.25 118.24 1pkx h VAL 121 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1pkx h VAL 121 Cb 0.30 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1pkx h VAL 121 CO -0.03 0.15 0.00 1.21 0.02 0.00 0.00 177.57 178.91 1pkx n GLU 122 N -4.74 0.12 -0.78 1.57 4.07 -0.97 -1.72 120.64 118.19 1pkx n GLU 122 Ca 0.20 0.40 0.08 0.00 -0.06 0.00 0.00 57.16 57.78 1pkx n GLU 122 Cb 0.47 -1.75 0.38 0.00 -0.06 0.00 0.00 31.44 30.48 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 -1.98 4.40 -3.09 5.31 1.13 0.50 -4.84 117.38 118.80 1pkx n GLN 123 Ca 0.02 -3.05 -0.43 0.00 -1.94 0.00 0.00 57.00 51.60 1pkx n GLN 123 Cb 0.18 -2.11 -0.07 0.00 0.11 0.00 0.00 30.24 28.35 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 -2.45 4.81 -0.01 5.09 1.01 -0.70 -3.99 121.20 124.95 1pkx s ILE 124 Ca 0.53 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 1pkx s ILE 124 Cb 0.38 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1pkx s ILE 124 CO 0.19 -0.61 1.28 -0.62 0.00 0.00 0.00 174.94 175.17 1pkx s ASP 125 N 2.02 6.98 -0.09 3.58 -1.08 -1.26 -4.94 116.67 121.87 1pkx s ASP 125 Ca 0.23 1.96 -0.11 0.00 -0.52 0.00 0.00 52.55 54.11 1pkx s ASP 125 Cb -0.14 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.72 1pkx s ASP 125 CO 0.19 -0.62 -0.22 -0.38 0.52 0.00 0.00 175.17 174.66 1pkx n ILE 126 N 4.51 1.22 -0.30 4.11 2.08 -1.26 -4.48 119.36 125.24 1pkx n ILE 126 Ca 0.11 0.23 -0.00 0.00 0.56 0.00 0.00 62.75 63.65 1pkx n ILE 126 Cb 0.45 -2.04 0.18 0.00 -0.75 0.00 0.00 39.64 37.48 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 -0.64 1.26 1.07 7.39 0.00 -1.92 -2.63 103.07 107.60 1pkx h GLY 127 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1pkx h GLY 127 CO 0.00 0.44 0.11 -1.33 0.00 0.00 0.00 176.54 175.76 1pkx h GLY 128 N 1.19 1.20 1.01 4.60 0.00 -1.95 -0.62 103.07 108.50 1pkx h GLY 128 Ca 0.33 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1pkx h GLY 128 CO -0.08 0.74 0.45 -2.08 0.00 0.00 0.00 176.54 175.58 1pkx h VAL 129 N 1.04 1.22 -0.39 4.60 2.07 -1.73 -1.68 116.25 121.39 1pkx h VAL 129 Ca 0.21 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1pkx h VAL 129 Cb 0.44 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1pkx h VAL 129 CO 0.01 0.24 -0.16 0.74 0.02 0.00 0.00 177.57 178.42 1pkx h THR 130 N 1.06 1.26 -0.54 2.57 2.02 -1.10 -0.78 112.91 117.41 1pkx h THR 130 Ca 0.28 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 1pkx h THR 130 Cb -0.01 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1pkx h THR 130 CO -0.05 0.41 0.26 -0.07 0.37 0.00 0.00 175.52 176.44 1pkx h LEU 131 N 0.64 0.70 -0.15 2.58 3.38 -0.65 -1.02 115.31 120.79 1pkx h LEU 131 Ca 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1pkx h LEU 131 Cb 0.64 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1pkx h LEU 131 CO 0.04 0.64 0.04 -0.07 0.09 0.00 0.00 178.44 179.18 1pkx h LEU 132 N 0.72 0.23 -0.53 1.67 3.38 -1.09 -1.62 115.31 118.07 1pkx h LEU 132 Ca 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1pkx h LEU 132 Cb 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1pkx h LEU 132 CO -0.02 0.39 0.20 0.03 0.09 0.00 0.00 178.44 179.13 1pkx h ARG 133 N 0.06 0.79 -0.47 1.13 3.08 -1.06 0.69 114.38 118.61 1pkx h ARG 133 Ca 0.05 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1pkx h ARG 133 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1pkx h ARG 133 CO -0.00 0.70 0.11 0.00 -1.07 0.00 0.00 179.97 179.71 1pkx h ALA 134 N 1.05 0.62 -0.58 0.04 0.00 -1.13 -0.01 119.26 119.24 1pkx h ALA 134 Ca 0.17 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1pkx h ALA 134 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1pkx h ALA 134 CO -0.01 0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.60 1pkx h ALA 135 N 0.98 0.77 -0.55 0.00 0.00 -1.20 -1.83 119.26 117.43 1pkx h ALA 135 Ca 0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1pkx h ALA 135 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pkx h ALA 135 CO 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.80 1pkx h ALA 136 N 0.99 0.74 -0.88 0.00 0.00 -0.67 -2.43 119.26 117.01 1pkx h ALA 136 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1pkx h ALA 136 Cb 0.48 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1pkx h ALA 136 CO 0.02 0.58 0.45 -0.22 0.00 0.00 0.00 179.25 180.08 1pkx h LYS 137 N 0.86 1.25 -1.02 0.00 3.64 -0.83 -2.38 116.57 118.10 1pkx h LYS 137 Ca 0.15 -0.17 -0.54 0.00 -1.27 0.00 0.00 60.65 58.82 1pkx h LYS 137 Cb 0.56 -0.23 -0.29 0.00 -0.41 0.00 0.00 32.23 31.86 1pkx h LYS 137 CO 0.03 0.94 0.70 -1.71 -2.27 0.00 0.00 179.45 177.14 1pkx n ASN 138 N -4.31 5.02 0.05 4.20 5.15 -0.70 -4.64 115.26 120.02 1pkx n ASN 138 Ca 0.09 -3.59 0.03 0.00 -0.60 0.00 0.00 54.58 50.51 1pkx n ASN 138 Cb 0.12 -0.88 0.17 0.00 -0.53 0.00 0.00 39.78 38.66 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 -0.98 0.21 0.29 1.20 1.44 -0.90 -1.35 115.22 115.13 1pkx n HIS 139 Ca 0.58 0.11 0.18 0.00 -2.01 0.00 0.00 57.72 56.58 1pkx n HIS 139 Cb 1.30 -0.64 0.91 0.00 0.12 0.00 0.00 29.99 31.68 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 1.00 0.00 1.59 0.00 -1.86 -3.33 119.26 118.51 1pkx h ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pkx h ALA 140 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pkx h ALA 140 CO 0.00 0.00 -0.51 -2.13 0.00 0.00 0.00 179.25 176.61 1pkx n ARG 141 N -2.81 0.00 -3.11 0.00 0.63 -0.46 -5.01 116.66 105.91 1pkx n ARG 141 Ca -0.02 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.52 1pkx n ARG 141 Cb 0.12 -0.60 -0.06 0.00 0.45 0.00 0.00 32.46 32.36 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 -1.66 4.59 -0.29 5.15 1.01 -0.75 -4.95 120.40 123.49 1pkx s VAL 142 Ca 0.00 1.47 -0.13 0.00 0.00 0.00 0.00 61.98 63.32 1pkx s VAL 142 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1pkx s VAL 142 CO 0.00 0.51 0.28 -0.89 0.00 0.00 0.00 175.10 175.00 1pkx s THR 143 N -0.95 5.24 -0.14 3.92 2.01 -0.03 -4.32 115.64 121.37 1pkx s THR 143 Ca 0.33 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 1pkx s THR 143 Cb -0.21 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1pkx s THR 143 CO 0.22 0.14 -0.11 0.54 -0.69 0.00 0.00 174.62 174.72 1pkx s VAL 144 N 1.90 3.18 -0.21 3.82 0.11 -1.26 -0.86 120.40 127.08 1pkx s VAL 144 Ca 0.10 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1pkx s VAL 144 Cb -0.16 -2.36 0.05 0.00 -1.53 0.00 0.00 36.38 32.39 1pkx s VAL 144 CO 0.11 0.51 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.66 1pkx s VAL 145 N 0.47 1.28 -1.55 2.04 1.01 -0.18 -4.65 120.40 118.82 1pkx s VAL 145 Ca -0.08 -0.97 0.18 0.00 0.00 0.00 0.00 61.98 61.11 1pkx s VAL 145 Cb -0.15 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1pkx s VAL 145 CO 0.04 -0.05 0.90 0.00 0.00 0.00 0.00 175.10 176.00 1pkx s GLU 147 N -2.14 2.84 0.36 0.00 2.02 -1.26 -4.67 118.70 115.85 1pkx s GLU 147 Ca 0.14 -0.78 0.09 0.00 0.02 0.00 0.00 54.97 54.44 1pkx s GLU 147 Cb 0.14 -2.41 0.82 0.00 0.10 0.00 0.00 34.13 32.78 1pkx s GLU 147 CO 0.49 -0.15 1.89 -1.35 0.02 0.00 0.00 175.26 176.16 1pkx h PRO 148 N 7.75 0.67 0.00 0.39 0.11 -1.90 -1.55 132.00 137.47 1pkx h PRO 148 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pkx h PRO 148 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pkx h PRO 148 CO 0.59 0.44 0.00 0.39 -0.21 0.00 0.00 178.00 179.21 1pkx n GLU 149 N -4.53 0.00 0.00 1.05 1.02 -1.26 -1.09 120.64 115.83 1pkx n GLU 149 Ca 0.16 0.47 0.11 0.00 -0.02 0.00 0.00 57.16 57.88 1pkx n GLU 149 Cb 0.42 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1pkx n GLU 149 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pkx n ASP 150 N -1.48 0.75 -0.05 1.62 8.00 -0.58 -4.44 116.55 120.37 1pkx n ASP 150 Ca 0.00 -0.60 -0.08 0.00 0.71 0.00 0.00 54.79 54.82 1pkx n ASP 150 Cb 0.00 0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 41.83 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 0.00 -0.08 -0.47 1.24 0.05 -1.25 -1.71 116.97 114.75 1pkx h TYR 151 Ca 0.00 0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.88 1pkx h TYR 151 Cb 0.55 0.07 -0.07 0.00 1.01 0.00 0.00 36.73 38.30 1pkx h TYR 151 CO 0.00 -0.08 0.09 0.28 -1.05 0.00 0.00 178.16 177.41 1pkx h VAL 152 N 0.02 0.74 -0.62 -2.88 2.07 -1.78 0.11 116.25 113.91 1pkx h VAL 152 Ca 0.11 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1pkx h VAL 152 Cb 0.15 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1pkx h VAL 152 CO -0.21 0.04 0.28 0.58 0.02 0.00 0.00 177.57 178.28 1pkx h VAL 153 N 0.23 1.22 -0.40 2.57 2.07 -1.74 -0.72 116.25 119.48 1pkx h VAL 153 Ca 0.23 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 1pkx h VAL 153 Cb 0.30 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1pkx h VAL 153 CO -0.31 0.26 -0.19 0.58 0.02 0.00 0.00 177.57 177.94 1pkx h VAL 154 N 0.86 1.28 0.89 2.57 2.07 -0.72 -2.25 116.25 120.95 1pkx h VAL 154 Ca 0.21 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1pkx h VAL 154 Cb 0.15 1.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1pkx h VAL 154 CO -0.02 0.44 -0.45 0.28 0.02 0.00 0.00 177.57 177.84 1pkx h SER 155 N 0.65 -1.08 -1.11 0.57 0.02 -0.66 -1.21 113.55 110.73 1pkx h SER 155 Ca 0.09 0.04 0.31 0.00 -0.84 0.00 0.00 61.79 61.39 1pkx h SER 155 Cb 0.74 0.29 -0.09 0.00 0.14 0.00 0.00 62.40 63.49 1pkx h SER 155 CO 0.06 -0.75 0.74 0.74 -1.14 0.00 0.00 176.83 176.48 1pkx h THR 156 N -1.22 0.45 0.18 -2.27 2.02 -1.15 0.18 112.91 111.10 1pkx h THR 156 Ca -0.12 -0.09 -0.31 0.00 0.77 0.00 0.00 66.41 66.66 1pkx h THR 156 Cb 0.95 0.17 0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1pkx h THR 156 CO 0.18 0.05 -1.34 -0.08 0.37 0.00 0.00 175.52 174.70 1pkx h GLU 157 N 0.25 0.52 -0.00 6.66 4.81 -0.99 -2.74 114.58 123.09 1pkx h GLU 157 Ca 0.61 -0.80 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 1pkx h GLU 157 Cb 1.83 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 31.48 1pkx h GLU 157 CO -0.23 1.37 -0.67 0.52 -0.73 0.00 0.00 179.01 179.27 1pkx h MET 158 N 0.18 0.01 -0.14 1.92 2.86 0.04 -0.42 114.93 119.38 1pkx h MET 158 Ca -0.21 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.23 1pkx h MET 158 Cb 2.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.69 1pkx h MET 158 CO 0.25 0.68 -0.69 1.96 1.06 0.00 0.00 176.91 180.17 1pkx h GLN 159 N 0.01 0.59 0.00 1.72 4.20 -1.11 -3.25 115.11 117.27 1pkx h GLN 159 Ca -0.01 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.17 1pkx h GLN 159 Cb 1.19 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1pkx h GLN 159 CO 0.09 1.07 -0.70 0.77 -0.67 0.00 0.00 178.83 179.38 1pkx h SER 160 N 0.41 0.00 -3.95 1.46 0.02 -1.42 -3.46 113.55 106.61 1pkx h SER 160 Ca -0.03 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.44 1pkx h SER 160 Cb 1.28 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.84 1pkx h SER 160 CO 0.13 0.36 0.42 -0.94 -1.14 0.00 0.00 176.83 175.66 1pkx s SER 161 N -6.10 6.77 0.26 3.07 1.04 -0.18 -4.93 113.70 113.63 1pkx s SER 161 Ca 0.02 2.05 -0.02 0.00 0.48 0.00 0.00 55.95 58.49 1pkx s SER 161 Cb 0.08 -2.59 0.33 0.00 0.10 0.00 0.00 66.02 63.94 1pkx s SER 161 CO 0.75 -0.48 1.77 1.05 0.98 0.00 0.00 173.24 177.31 1pkx h GLU 162 N 2.56 0.81 -0.08 4.02 9.09 -1.89 -2.69 114.58 126.40 1pkx h GLU 162 Ca -0.48 -0.21 0.00 0.00 0.05 0.00 0.00 59.36 58.72 1pkx h GLU 162 Cb 1.22 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1pkx h GLU 162 CO 0.62 0.80 0.00 0.43 0.05 0.00 0.00 179.01 180.91 1pkx n SER 163 N -4.22 0.58 -3.39 3.06 7.64 -1.26 -4.89 113.62 111.14 1pkx n SER 163 Ca 0.03 -1.73 -0.24 0.00 1.01 0.00 0.00 58.87 57.94 1pkx n SER 163 Cb 0.29 -0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1pkx n SER 163 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1pkx n LYS 164 N -0.30 -3.58 -4.11 1.43 0.00 -1.02 -4.93 118.16 105.65 1pkx n LYS 164 Ca 0.10 0.51 -0.09 0.00 -0.00 0.00 0.00 58.31 58.83 1pkx n LYS 164 Cb 0.13 -5.24 -0.10 0.00 -0.00 0.00 0.00 35.03 29.83 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 -2.77 0.32 0.97 -5.58 2.15 -1.25 -4.88 116.67 105.64 1pkx s ASP 165 Ca 0.42 -1.11 -0.15 0.00 0.43 0.00 0.00 52.55 52.14 1pkx s ASP 165 Cb -0.22 0.29 0.18 0.00 -0.30 0.00 0.00 42.92 42.87 1pkx s ASP 165 CO 0.51 -0.71 1.22 0.42 -0.17 0.00 0.00 175.17 176.44 1pkx s THR 166 N -4.00 1.92 0.27 1.71 -4.23 -1.26 -4.34 115.64 105.70 1pkx s THR 166 Ca 0.19 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.73 1pkx s THR 166 Cb 0.07 -2.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 1pkx s THR 166 CO -0.02 0.00 0.42 -0.94 -0.54 0.00 0.00 174.62 173.54 1pkx s SER 167 N -4.45 6.31 0.22 3.99 1.04 -1.26 -5.00 113.70 114.56 1pkx s SER 167 Ca 0.69 0.20 -0.08 0.00 0.48 0.00 0.00 55.95 57.24 1pkx s SER 167 Cb -0.09 -1.92 0.19 0.00 0.10 0.00 0.00 66.02 64.31 1pkx s SER 167 CO 0.53 -0.13 1.86 0.25 0.98 0.00 0.00 173.24 176.73 1pkx h LEU 168 N 1.09 1.04 -1.53 2.42 5.85 -1.94 -1.96 115.31 120.27 1pkx h LEU 168 Ca -0.51 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 1pkx h LEU 168 Cb 1.22 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1pkx h LEU 168 CO 0.61 0.81 0.07 -0.08 -0.34 0.00 0.00 178.44 179.51 1pkx h GLU 169 N 1.18 0.38 -0.21 1.25 4.57 -1.98 -0.93 114.58 118.84 1pkx h GLU 169 Ca 0.31 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.30 1pkx h GLU 169 Cb -0.03 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1pkx h GLU 169 CO -0.06 0.35 -0.39 1.15 -1.18 0.00 0.00 179.01 178.89 1pkx h THR 170 N 0.38 1.32 0.00 0.32 2.02 -1.81 -2.68 112.91 112.46 1pkx h THR 170 Ca 0.09 -1.61 -0.04 0.00 0.77 0.00 0.00 66.41 65.63 1pkx h THR 170 Cb 0.14 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1pkx h THR 170 CO -0.00 0.50 -0.18 0.03 0.37 0.00 0.00 175.52 176.23 1pkx h ARG 171 N 0.32 0.00 0.36 6.66 3.08 -0.76 -1.36 114.38 122.68 1pkx h ARG 171 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1pkx h ARG 171 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1pkx h ARG 171 CO 0.09 0.18 -0.17 0.00 -1.07 0.00 0.00 179.97 179.00 1pkx h ARG 172 N 0.00 -0.46 -0.84 0.04 2.47 -1.05 -0.15 114.38 114.39 1pkx h ARG 172 Ca -0.00 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 1pkx h ARG 172 Cb 0.36 0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.73 1pkx h ARG 172 CO 0.02 -0.16 0.55 0.37 0.56 0.00 0.00 179.97 181.32 1pkx h GLN 173 N -0.79 0.99 -0.21 0.04 4.15 -1.28 0.02 115.11 118.03 1pkx h GLN 173 Ca -0.05 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.14 1pkx h GLN 173 Cb 0.52 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1pkx h GLN 173 CO 0.08 0.65 -0.58 -0.07 -1.93 0.00 0.00 178.83 176.98 1pkx h LEU 174 N 1.02 0.76 -0.53 -2.39 3.38 -1.16 -1.45 115.31 114.94 1pkx h LEU 174 Ca 0.34 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1pkx h LEU 174 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1pkx h LEU 174 CO -0.10 1.17 -0.15 0.00 0.09 0.00 0.00 178.44 179.45 1pkx h ALA 175 N 0.84 0.73 -0.60 1.53 0.00 -0.53 -0.90 119.26 120.32 1pkx h ALA 175 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1pkx h ALA 175 Cb 1.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1pkx h ALA 175 CO 0.12 0.67 0.23 1.25 0.00 0.00 0.00 179.25 181.52 1pkx h LEU 176 N 0.90 0.84 -0.96 0.00 5.85 -0.92 -1.68 115.31 119.36 1pkx h LEU 176 Ca 0.13 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1pkx h LEU 176 Cb 0.72 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1pkx h LEU 176 CO 0.06 0.80 0.31 0.50 -0.34 0.00 0.00 178.44 179.76 1pkx h LYS 177 N 0.84 1.06 -0.17 1.25 3.64 -1.00 -1.73 116.57 120.47 1pkx h LYS 177 Ca 0.20 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1pkx h LYS 177 Cb 0.22 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1pkx h LYS 177 CO -0.01 0.85 0.05 0.00 -2.27 0.00 0.00 179.45 178.07 1pkx h ALA 178 N 1.29 0.22 -0.08 5.00 0.00 -0.55 -1.08 119.26 124.06 1pkx h ALA 178 Ca 0.25 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1pkx h ALA 178 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pkx h ALA 178 CO -0.02 -0.16 -0.41 0.74 0.00 0.00 0.00 179.25 179.40 1pkx h PHE 179 N 0.10 0.20 -0.65 0.00 0.04 -1.26 -0.80 116.94 114.57 1pkx h PHE 179 Ca 0.06 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1pkx h PHE 179 Cb 0.22 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1pkx h PHE 179 CO -0.00 0.56 0.06 1.15 -0.60 0.00 0.00 178.31 179.48 1pkx h THR 180 N 0.15 1.27 0.42 -1.55 2.02 -1.15 -0.70 112.91 113.36 1pkx h THR 180 Ca 0.01 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 1pkx h THR 180 Cb 0.80 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1pkx h THR 180 CO 0.06 0.41 -0.25 -0.74 0.37 0.00 0.00 175.52 175.37 1pkx h HIS 181 N 1.02 -0.66 -0.11 3.16 -0.00 -0.62 -1.36 115.15 116.58 1pkx h HIS 181 Ca 0.19 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.48 1pkx h HIS 181 Cb 0.50 0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 1pkx h HIS 181 CO 0.04 -0.39 -0.27 1.79 -0.00 0.00 0.00 177.93 179.09 1pkx h THR 182 N -0.64 1.24 -0.15 6.26 1.35 -1.07 -1.05 112.91 118.86 1pkx h THR 182 Ca -0.05 -1.14 -0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1pkx h THR 182 Cb 0.52 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1pkx h THR 182 CO 0.05 0.34 0.08 0.00 -0.25 0.00 0.00 175.52 175.74 1pkx h ALA 183 N 1.55 0.19 -0.03 6.62 0.00 -0.88 -2.24 119.26 124.46 1pkx h ALA 183 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1pkx h ALA 183 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pkx h ALA 183 CO 0.04 -0.27 -0.50 1.96 0.00 0.00 0.00 179.25 180.48 1pkx h GLN 184 N 0.13 0.09 -0.10 0.00 4.20 -0.95 -1.72 115.11 116.75 1pkx h GLN 184 Ca 0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pkx h GLN 184 Cb 0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1pkx h GLN 184 CO -0.01 0.57 0.06 -0.92 -0.67 0.00 0.00 178.83 177.86 1pkx h TYR 185 N 0.07 0.14 0.00 2.96 3.20 -1.00 -1.13 116.97 121.21 1pkx h TYR 185 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1pkx h TYR 185 Cb 0.92 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1pkx h TYR 185 CO 0.01 0.15 -0.36 -0.44 -1.64 0.00 0.00 178.16 175.88 1pkx h ASP 186 N 0.09 0.00 -0.34 -2.11 5.19 -1.35 -1.45 116.42 116.44 1pkx h ASP 186 Ca 0.04 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 1pkx h ASP 186 Cb 0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1pkx h ASP 186 CO -0.01 0.36 -0.10 -0.08 -3.12 0.00 0.00 179.24 176.29 1pkx h GLU 187 N 0.00 0.67 -0.44 3.56 4.57 -1.09 -0.15 114.58 121.70 1pkx h GLU 187 Ca -0.00 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.87 1pkx h GLU 187 Cb 0.88 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 1pkx h GLU 187 CO 0.05 0.84 0.11 0.00 -1.18 0.00 0.00 179.01 178.83 1pkx h ALA 188 N 0.80 0.57 -0.24 2.92 0.00 -0.91 0.04 119.26 122.44 1pkx h ALA 188 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1pkx h ALA 188 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pkx h ALA 188 CO 0.04 0.25 0.12 0.82 0.00 0.00 0.00 179.25 180.47 1pkx h ILE 189 N 0.57 1.14 -0.23 0.00 2.04 -1.20 -0.30 117.51 119.52 1pkx h ILE 189 Ca 0.14 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 1pkx h ILE 189 Cb 0.30 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1pkx h ILE 189 CO -0.00 0.14 -0.27 0.77 0.00 0.00 0.00 178.15 178.78 1pkx h SER 190 N 0.26 0.44 -0.54 1.72 4.64 -0.93 -1.84 113.55 117.31 1pkx h SER 190 Ca 0.08 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 1pkx h SER 190 Cb 0.11 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1pkx h SER 190 CO -0.01 0.71 0.07 -0.78 -0.87 0.00 0.00 176.83 175.95 1pkx h ASP 191 N 0.39 0.91 -0.10 4.97 3.58 -0.69 -0.00 116.42 125.47 1pkx h ASP 191 Ca 0.05 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 1pkx h ASP 191 Cb 0.69 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1pkx h ASP 191 CO 0.05 0.93 0.05 0.22 -2.88 0.00 0.00 179.24 177.61 1pkx h TYR 192 N 0.89 0.15 0.00 0.28 3.20 -0.57 -2.37 116.97 118.56 1pkx h TYR 192 Ca 0.18 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1pkx h TYR 192 Cb 0.43 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1pkx h TYR 192 CO 0.03 0.23 -0.30 0.74 -1.64 0.00 0.00 178.16 177.21 1pkx h PHE 193 N 0.03 0.00 -0.24 -3.82 0.04 -1.11 -0.89 116.94 110.96 1pkx h PHE 193 Ca 0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1pkx h PHE 193 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1pkx h PHE 193 CO -0.03 0.30 0.04 0.00 -0.60 0.00 0.00 178.31 178.03 1pkx h ARG 194 N 0.00 0.39 -0.63 1.51 3.08 -0.75 0.49 114.38 118.48 1pkx h ARG 194 Ca -0.00 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1pkx h ARG 194 Cb 0.64 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1pkx h ARG 194 CO 0.04 0.52 0.03 0.87 -1.07 0.00 0.00 179.97 180.36 1pkx h LYS 195 N 0.20 1.09 0.03 0.04 1.57 -1.05 0.13 116.57 118.58 1pkx h LYS 195 Ca 0.07 -0.33 -0.25 0.00 -1.87 0.00 0.00 60.65 58.27 1pkx h LYS 195 Cb 0.32 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.54 1pkx h LYS 195 CO 0.00 1.04 -1.01 1.96 -0.57 0.00 0.00 179.45 180.88 1pkx h GLN 196 N 1.00 0.64 -0.01 3.15 1.08 -1.12 -3.36 115.11 116.49 1pkx h GLN 196 Ca 0.18 -0.72 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1pkx h GLN 196 Cb 0.53 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1pkx h GLN 196 CO 0.03 1.30 -0.36 0.66 -0.95 0.00 0.00 178.83 179.51 1pkx n TYR 197 N -3.91 0.00 -1.96 2.96 4.01 0.16 -4.66 117.16 113.76 1pkx n TYR 197 Ca -0.12 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.67 1pkx n TYR 197 Cb 0.87 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 40.00 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 -0.60 1.31 -4.69 7.72 2.88 0.46 -5.02 113.62 115.67 1pkx n SER 198 Ca 0.04 -2.86 -0.42 0.00 -1.33 0.00 0.00 58.87 54.30 1pkx n SER 198 Cb 0.23 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 1pkx n SER 198 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1pkx s LYS 199 N -1.56 4.19 0.00 -1.46 2.20 -1.21 -1.20 119.74 120.70 1pkx s LYS 199 Ca 0.32 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 1pkx s LYS 199 Cb 0.33 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1pkx s LYS 199 CO -0.09 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 1pkx n GLY 200 N 4.00 1.54 0.56 5.54 0.00 0.76 -4.87 105.19 112.72 1pkx n GLY 200 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.59 1.61 0.31 -0.34 -4.85 118.33 113.65 1pkx n VAL 201 Ca 0.00 0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.60 1pkx n VAL 201 Cb 0.00 -1.19 0.05 0.00 -0.91 0.00 0.00 33.84 31.79 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 -2.44 2.05 -3.99 4.52 3.41 -0.98 -1.25 113.62 114.93 1pkx n SER 202 Ca 0.00 -1.52 -0.17 0.00 -0.26 0.00 0.00 58.87 56.92 1pkx n SER 202 Cb 0.00 0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.25 0.56 -0.22 4.33 -0.44 -1.04 -1.68 119.66 119.92 1pkx s GLN 203 Ca 0.15 -0.26 -0.04 0.00 -2.50 0.00 0.00 55.36 52.72 1pkx s GLN 203 Cb 0.12 -0.54 0.08 0.00 -1.64 0.00 0.00 33.01 31.03 1pkx s GLN 203 CO 0.20 0.15 0.13 1.41 0.50 0.00 0.00 175.29 177.68 1pkx s MET 204 N -0.19 0.13 0.40 1.67 -2.45 0.13 -0.17 119.30 118.83 1pkx s MET 204 Ca 0.02 -0.19 -0.27 0.00 -1.25 0.00 0.00 55.69 54.01 1pkx s MET 204 Cb -0.03 -1.47 -0.09 0.00 1.25 0.00 0.00 34.83 34.49 1pkx s MET 204 CO -0.00 -0.80 1.36 -2.14 1.05 0.00 0.00 175.02 174.49 1pkx s PRO 205 N 2.16 3.98 0.11 4.11 0.02 -1.26 -1.26 135.00 142.85 1pkx s PRO 205 Ca 0.05 2.29 0.09 0.00 0.02 0.00 0.00 61.00 63.46 1pkx s PRO 205 Cb -0.16 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 1pkx s PRO 205 CO -0.20 -0.53 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.22 1pkx s LEU 206 N -2.36 2.52 0.46 -5.54 1.43 -0.21 -4.89 118.68 110.09 1pkx s LEU 206 Ca 0.56 -0.61 0.15 0.00 -1.03 0.00 0.00 54.13 53.20 1pkx s LEU 206 Cb -0.41 -1.41 1.10 0.00 0.03 0.00 0.00 46.19 45.50 1pkx s LEU 206 CO 0.53 0.20 2.02 0.08 0.23 0.00 0.00 176.35 179.41 1pkx h ARG 207 N 3.97 0.29 -1.35 1.70 0.11 -1.85 -3.36 114.38 113.89 1pkx h ARG 207 Ca -0.50 -0.02 0.39 0.00 0.10 0.00 0.00 59.98 59.96 1pkx h ARG 207 Cb 1.16 -0.07 -0.12 0.00 1.11 0.00 0.00 29.97 32.06 1pkx h ARG 207 CO 0.44 0.19 0.98 1.52 0.10 0.00 0.00 179.97 183.20 1pkx s TYR 208 N -5.29 -0.00 0.00 4.08 -0.85 -1.26 -4.86 117.35 109.16 1pkx s TYR 208 Ca -0.07 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.47 1pkx s TYR 208 Cb 0.19 0.51 0.00 0.00 0.38 0.00 0.00 41.96 43.04 1pkx s TYR 208 CO 0.73 -0.05 0.00 0.41 -1.52 0.00 0.00 175.55 175.12 1pkx n GLY 209 N -0.64 1.03 0.34 5.49 0.00 0.12 -4.07 105.19 107.46 1pkx n GLY 209 Ca -0.05 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 0.66 -4.67 1.61 1.85 -1.96 -3.42 114.93 109.00 1pkx h MET 210 Ca 0.00 -0.04 -0.23 0.00 -0.61 0.00 0.00 59.70 58.82 1pkx h MET 210 Cb 0.00 -0.15 -0.15 0.00 0.43 0.00 0.00 31.60 31.73 1pkx h MET 210 CO 0.00 0.44 -0.70 -0.80 -0.40 0.00 0.00 176.91 175.45 1pkx s ASN 211 N -5.39 1.16 0.30 1.39 0.01 -1.26 -4.91 114.94 106.24 1pkx s ASN 211 Ca -0.11 -0.97 0.04 0.00 -0.71 0.00 0.00 52.86 51.11 1pkx s ASN 211 Cb 0.24 0.08 0.78 0.00 0.41 0.00 0.00 41.25 42.77 1pkx s ASN 211 CO 0.79 -0.43 1.64 -0.65 -1.51 0.00 0.00 177.10 176.94 1pkx h PRO 212 N 3.09 0.18 0.00 -0.60 0.11 -1.94 -0.33 132.00 132.50 1pkx h PRO 212 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1pkx h PRO 212 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pkx h PRO 212 CO 0.63 0.12 0.00 -2.39 -0.21 0.00 0.00 178.00 176.14 1pkx n HIS 213 N -5.24 0.00 -3.09 0.65 1.44 -1.26 -4.41 115.22 103.31 1pkx n HIS 213 Ca 0.23 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.49 1pkx n HIS 213 Cb 0.75 -0.43 -0.02 0.00 0.12 0.00 0.00 29.99 30.41 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 -2.87 3.76 0.05 -1.40 -0.21 -0.14 -4.99 119.66 113.87 1pkx s GLN 214 Ca 0.10 -2.28 0.05 0.00 0.02 0.00 0.00 55.36 53.25 1pkx s GLN 214 Cb 0.10 -4.77 -0.02 0.00 1.00 0.00 0.00 33.01 29.32 1pkx s GLN 214 CO 0.26 -1.57 -0.15 0.95 -2.12 0.00 0.00 175.29 172.66 1pkx s THR 215 N 1.31 1.17 0.74 -0.19 -4.23 -1.26 0.10 115.64 113.29 1pkx s THR 215 Ca 0.30 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1pkx s THR 215 Cb -0.06 -1.07 0.14 0.00 1.34 0.00 0.00 72.50 72.84 1pkx s THR 215 CO -0.07 -0.05 1.02 -2.16 -0.54 0.00 0.00 174.62 172.82 1pkx s PRO 216 N -1.34 1.56 0.05 3.99 0.04 -1.26 -5.06 135.00 132.98 1pkx s PRO 216 Ca 0.01 -1.11 -0.10 0.00 0.04 0.00 0.00 61.00 59.84 1pkx s PRO 216 Cb -0.09 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1pkx s PRO 216 CO 0.02 -1.55 0.22 0.00 0.04 0.00 0.00 177.00 175.73 1pkx s ALA 217 N -3.20 -0.42 0.21 8.56 0.00 -1.26 -4.77 121.76 120.88 1pkx s ALA 217 Ca 0.67 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.14 1pkx s ALA 217 Cb -0.05 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1pkx s ALA 217 CO 0.45 -0.41 0.64 1.14 0.00 0.00 0.00 175.76 177.58 1pkx s GLN 218 N -2.85 1.47 -0.04 0.00 -2.07 -1.26 -1.04 119.66 113.87 1pkx s GLN 218 Ca -0.03 -0.69 0.06 0.00 -1.82 0.00 0.00 55.36 52.88 1pkx s GLN 218 Cb 0.00 0.59 -0.01 0.00 -1.09 0.00 0.00 33.01 32.50 1pkx s GLN 218 CO -0.05 -0.66 -0.23 -1.17 -1.32 0.00 0.00 175.29 171.86 1pkx s LEU 219 N -2.82 2.03 0.22 2.60 2.96 -0.39 -4.93 118.68 118.34 1pkx s LEU 219 Ca 0.05 -0.45 -0.18 0.00 -0.22 0.00 0.00 54.13 53.33 1pkx s LEU 219 Cb -0.03 -1.24 0.03 0.00 0.50 0.00 0.00 46.19 45.45 1pkx s LEU 219 CO -0.05 0.24 0.57 -0.72 -1.32 0.00 0.00 176.35 175.06 1pkx s TYR 220 N -0.23 -0.11 0.05 5.38 -0.85 -1.26 0.20 117.35 120.53 1pkx s TYR 220 Ca 0.00 -0.25 -0.01 0.00 -0.52 0.00 0.00 57.07 56.29 1pkx s TYR 220 Cb -0.12 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 1pkx s TYR 220 CO 0.02 -0.99 -0.02 -0.08 -1.52 0.00 0.00 175.55 172.96 1pkx s THR 221 N -3.89 0.20 -1.30 -3.49 -1.32 -0.68 -5.01 115.64 100.16 1pkx s THR 221 Ca 0.10 -1.65 0.25 0.00 -1.21 0.00 0.00 61.69 59.19 1pkx s THR 221 Cb -0.02 -1.34 0.10 0.00 -1.51 0.00 0.00 72.50 69.73 1pkx s THR 221 CO -0.00 -0.91 1.45 0.18 -2.21 0.00 0.00 174.62 173.13 1pkx n LEU 222 N 0.30 0.73 -4.78 9.08 4.77 -1.26 -4.84 117.00 121.00 1pkx n LEU 222 Ca -0.15 -0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.42 1pkx n LEU 222 Cb 0.60 -0.19 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 1pkx n LEU 222 CO 0.27 0.16 0.71 -1.10 -1.33 0.00 0.00 177.39 176.10 1pkx s GLN 223 N -2.81 0.92 0.38 3.23 -1.52 -1.26 -4.96 119.66 113.64 1pkx s GLN 223 Ca 0.16 0.24 0.10 0.00 -1.95 0.00 0.00 55.36 53.91 1pkx s GLN 223 Cb 0.18 -1.82 0.74 0.00 -0.22 0.00 0.00 33.01 31.89 1pkx s GLN 223 CO 0.64 -2.34 1.88 -1.35 -0.25 0.00 0.00 175.29 173.87 1pkx h PRO 224 N -1.60 0.19 -3.27 2.91 0.11 -1.98 -3.45 132.00 124.91 1pkx h PRO 224 Ca -0.50 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.42 1pkx h PRO 224 Cb 1.32 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.21 1pkx h PRO 224 CO 0.59 0.40 -0.39 0.21 -0.21 0.00 0.00 178.00 178.60 1pkx s LYS 225 N -4.56 0.56 0.51 1.05 2.20 -1.26 -4.04 119.74 114.20 1pkx s LYS 225 Ca -0.05 -0.27 -0.20 0.00 -0.36 0.00 0.00 55.97 55.09 1pkx s LYS 225 Cb 0.15 0.24 -0.07 0.00 -1.51 0.00 0.00 37.83 36.65 1pkx s LYS 225 CO 0.73 -0.14 1.11 -0.51 -0.36 0.00 0.00 175.35 176.18 1pkx s LEU 226 N -1.29 3.82 0.00 5.43 1.43 -0.38 -4.92 118.68 122.77 1pkx s LEU 226 Ca -0.14 2.13 0.29 0.00 -1.03 0.00 0.00 54.13 55.39 1pkx s LEU 226 Cb -0.06 -4.52 1.48 0.00 0.03 0.00 0.00 46.19 43.11 1pkx s LEU 226 CO 0.03 -1.05 2.02 -0.81 0.23 0.00 0.00 176.35 176.77 1pkx n PRO 227 N -1.07 0.40 -4.06 1.29 -0.04 -1.26 -4.77 135.00 125.49 1pkx n PRO 227 Ca 0.10 0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 1pkx n PRO 227 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.59 4.99 -0.11 0.52 1.01 -1.26 -1.36 121.20 122.41 1pkx s ILE 228 Ca 0.27 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1pkx s ILE 228 Cb 0.20 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1pkx s ILE 228 CO 0.45 0.58 -0.19 0.42 0.00 0.00 0.00 174.94 176.20 1pkx s THR 229 N -0.67 1.74 -0.30 2.92 -4.23 -0.17 -4.95 115.64 109.97 1pkx s THR 229 Ca 0.12 -0.81 -0.24 0.00 -1.18 0.00 0.00 61.69 59.58 1pkx s THR 229 Cb -0.12 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1pkx s THR 229 CO 0.02 0.49 0.84 -0.69 -0.54 0.00 0.00 174.62 174.74 1pkx s VAL 230 N 0.70 4.75 -0.11 2.29 1.01 -1.26 -0.79 120.40 126.99 1pkx s VAL 230 Ca -0.12 1.31 0.20 0.00 0.00 0.00 0.00 61.98 63.38 1pkx s VAL 230 Cb -0.16 -4.19 -0.26 0.00 0.00 0.00 0.00 36.38 31.77 1pkx s VAL 230 CO 0.02 -0.27 0.47 0.18 0.00 0.00 0.00 175.10 175.50 1pkx n LEU 231 N 6.29 0.19 -3.57 3.92 4.77 0.02 -4.99 117.00 123.63 1pkx n LEU 231 Ca 0.05 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 1pkx n LEU 231 Cb 0.48 0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1pkx n LEU 231 CO 0.51 0.14 0.43 0.21 -1.33 0.00 0.00 177.39 177.35 1pkx s ASN 232 N -5.03 -0.69 0.55 -1.43 2.47 -1.17 -4.95 114.94 104.69 1pkx s ASN 232 Ca -0.07 1.03 0.00 0.00 0.42 0.00 0.00 52.86 54.24 1pkx s ASN 232 Cb 0.11 0.94 0.00 0.00 -1.45 0.00 0.00 41.25 40.85 1pkx s ASN 232 CO 0.86 -0.45 0.00 0.61 -3.72 0.00 0.00 177.10 174.40 1pkx n GLY 233 N 1.69 0.18 3.29 1.21 0.00 -1.21 -1.14 105.19 109.22 1pkx n GLY 233 Ca -0.17 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.55 -1.67 0.51 4.61 0.00 -1.26 -4.91 121.76 117.48 1pkx s ALA 234 Ca 0.00 1.73 -0.23 0.00 0.00 0.00 0.00 51.96 53.46 1pkx s ALA 234 Cb 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 1pkx s ALA 234 CO 0.00 -1.03 1.40 -1.25 0.00 0.00 0.00 175.76 174.87 1pkx s PRO 235 N 2.75 3.37 0.58 0.00 0.04 -1.26 -4.96 135.00 135.51 1pkx s PRO 235 Ca 0.05 2.33 0.09 0.00 0.04 0.00 0.00 61.00 63.51 1pkx s PRO 235 Cb -0.13 -2.43 0.08 0.00 0.04 0.00 0.00 34.50 32.06 1pkx s PRO 235 CO -0.17 -1.04 0.72 0.20 0.04 0.00 0.00 177.00 176.74 1pkx s GLY 236 N -0.74 1.87 0.07 0.56 0.00 -1.26 -4.76 107.32 103.06 1pkx s GLY 236 Ca 0.67 -1.96 -0.26 0.00 0.00 0.00 0.00 44.72 43.17 1pkx s GLY 236 CO 0.52 -1.76 1.65 -2.75 0.00 0.00 0.00 173.10 170.76 1pkx h PHE 237 N 0.27 -0.26 -0.32 1.90 3.04 -1.81 -2.30 116.94 117.47 1pkx h PHE 237 Ca -0.31 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.54 1pkx h PHE 237 Cb 1.29 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.87 1pkx h PHE 237 CO 0.57 -0.12 -0.19 0.82 -2.02 0.00 0.00 178.31 177.37 1pkx h ILE 238 N -0.33 1.26 -0.81 1.41 2.04 -1.91 -2.12 117.51 117.05 1pkx h ILE 238 Ca -0.03 -1.21 0.16 0.00 1.00 0.00 0.00 64.86 64.78 1pkx h ILE 238 Cb 0.25 1.22 -0.10 0.00 -0.74 0.00 0.00 36.82 37.45 1pkx h ILE 238 CO 0.05 0.40 0.34 0.78 0.00 0.00 0.00 178.15 179.71 1pkx h ASN 239 N 0.53 0.32 0.34 1.72 -0.26 -1.88 -0.40 115.58 115.95 1pkx h ASN 239 Ca 0.08 0.12 -0.15 0.00 -0.56 0.00 0.00 56.30 55.79 1pkx h ASN 239 Cb 0.63 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 1pkx h ASN 239 CO 0.04 0.09 -0.63 -0.07 -1.06 0.00 0.00 177.43 175.80 1pkx h LEU 240 N 0.45 0.32 -0.32 1.61 3.38 -0.83 -0.28 115.31 119.64 1pkx h LEU 240 Ca 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1pkx h LEU 240 Cb 0.75 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1pkx h LEU 240 CO -0.44 0.87 0.11 0.00 0.09 0.00 0.00 178.44 179.07 1pkx h ASP 242 N 0.36 -0.52 -0.47 0.00 3.32 -1.04 -2.86 116.42 115.21 1pkx h ASP 242 Ca 0.10 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.16 1pkx h ASP 242 Cb 0.24 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1pkx h ASP 242 CO -0.00 -0.24 0.14 0.00 -1.72 0.00 0.00 179.24 177.42 1pkx h ALA 243 N -0.36 0.55 -0.10 3.45 0.00 -0.99 0.22 119.26 122.03 1pkx h ALA 243 Ca -0.06 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1pkx h ALA 243 Cb 0.56 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1pkx h ALA 243 CO 0.10 -0.25 -0.43 -0.07 0.00 0.00 0.00 179.25 178.60 1pkx h LEU 244 N 0.30 0.25 0.14 0.00 3.38 -1.17 0.60 115.31 118.81 1pkx h LEU 244 Ca 0.22 -0.11 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 1pkx h LEU 244 Cb 0.25 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.95 1pkx h LEU 244 CO -0.25 0.65 -1.31 0.78 0.09 0.00 0.00 178.44 178.41 1pkx h ASN 245 N 0.20 0.73 -0.62 -0.43 2.35 -1.22 -3.09 115.58 113.50 1pkx h ASN 245 Ca 0.02 -0.73 -0.09 0.00 -0.55 0.00 0.00 56.30 54.95 1pkx h ASN 245 Cb 0.84 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1pkx h ASN 245 CO 0.07 1.56 0.05 0.00 -1.65 0.00 0.00 177.43 177.45 1pkx h ALA 246 N 0.35 0.83 -0.54 -0.83 0.00 -0.48 -1.95 119.26 116.64 1pkx h ALA 246 Ca -0.19 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1pkx h ALA 246 Cb 1.99 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 1pkx h ALA 246 CO 0.24 0.64 0.30 2.35 0.00 0.00 0.00 179.25 182.78 1pkx h TRP 247 N 0.97 0.56 -0.69 0.00 2.91 -0.96 -1.51 115.95 117.23 1pkx h TRP 247 Ca 0.18 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.15 1pkx h TRP 247 Cb 0.50 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.95 1pkx h TRP 247 CO 0.04 0.29 0.13 1.96 -1.03 0.00 0.00 178.44 179.83 1pkx h GLN 248 N 0.59 1.13 0.28 2.65 4.20 -1.41 -0.46 115.11 122.09 1pkx h GLN 248 Ca 0.23 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1pkx h GLN 248 Cb 0.10 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1pkx h GLN 248 CO -0.14 1.02 -0.17 1.25 -0.67 0.00 0.00 178.83 180.12 1pkx h LEU 249 N 1.06 -0.42 -0.87 1.46 6.46 -0.91 -1.68 115.31 120.41 1pkx h LEU 249 Ca 0.21 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1pkx h LEU 249 Cb 0.42 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1pkx h LEU 249 CO 0.01 -0.28 -0.31 -0.37 -0.62 0.00 0.00 178.44 176.87 1pkx h VAL 250 N -0.44 1.28 -0.41 1.05 -1.51 -1.18 -1.70 116.25 113.35 1pkx h VAL 250 Ca -0.03 -1.39 -0.02 0.00 -1.23 0.00 0.00 66.70 64.04 1pkx h VAL 250 Cb 0.36 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 1pkx h VAL 250 CO 0.03 0.44 0.19 0.50 -1.23 0.00 0.00 177.57 177.50 1pkx h LYS 251 N 0.41 0.59 -0.58 5.19 3.64 -0.95 -1.81 116.57 123.06 1pkx h LYS 251 Ca 0.05 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 1pkx h LYS 251 Cb 0.75 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1pkx h LYS 251 CO 0.06 0.52 -0.01 0.93 -2.27 0.00 0.00 179.45 178.68 1pkx h GLU 252 N 0.52 1.03 0.19 1.90 5.08 -1.18 -1.60 114.58 120.50 1pkx h GLU 252 Ca 0.14 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1pkx h GLU 252 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1pkx h GLU 252 CO -0.02 1.01 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.84 1pkx h LEU 253 N 0.94 -0.23 -0.36 1.33 3.38 -1.07 -0.05 115.31 119.26 1pkx h LEU 253 Ca 0.17 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1pkx h LEU 253 Cb 0.55 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1pkx h LEU 253 CO 0.03 -0.16 0.19 0.50 0.09 0.00 0.00 178.44 179.09 1pkx h LYS 254 N -0.26 0.38 -0.72 1.13 1.63 -1.28 -0.77 116.57 116.69 1pkx h LYS 254 Ca -0.02 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1pkx h LYS 254 Cb 0.20 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1pkx h LYS 254 CO 0.04 0.25 0.41 0.93 -3.45 0.00 0.00 179.45 177.63 1pkx h GLU 255 N 0.39 0.98 0.02 1.90 5.08 -1.19 0.28 114.58 122.04 1pkx h GLU 255 Ca 0.15 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 58.20 1pkx h GLU 255 Cb 0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1pkx h GLU 255 CO -0.09 0.70 -0.93 0.00 -1.00 0.00 0.00 179.01 177.69 1pkx h ALA 256 N 1.46 0.44 -0.00 3.43 0.00 -0.30 -3.38 119.26 120.92 1pkx h ALA 256 Ca 0.26 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pkx h ALA 256 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pkx h ALA 256 CO -0.05 0.93 -0.19 1.28 0.00 0.00 0.00 179.25 181.22 1pkx n LEU 257 N -3.64 0.23 -0.74 0.00 4.77 -0.36 -4.99 117.00 112.27 1pkx n LEU 257 Ca -0.04 -0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 55.33 1pkx n LEU 257 Cb 0.84 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.89 1pkx n LEU 257 CO 0.49 0.06 -0.09 0.61 -1.33 0.00 0.00 177.39 177.12 1pkx n GLY 258 N 1.08 1.11 3.20 -0.72 0.00 0.98 -5.01 105.19 105.83 1pkx n GLY 258 Ca 0.01 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.29 1.65 0.20 -0.61 1.01 -1.25 -5.06 121.20 114.84 1pkx s ILE 259 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.48 1pkx s ILE 259 Cb 0.00 -1.39 -0.15 0.00 0.01 0.00 0.00 42.46 40.93 1pkx s ILE 259 CO 0.00 0.47 1.08 -2.65 0.00 0.00 0.00 174.94 173.83 1pkx n PRO 260 N 2.85 1.11 -4.24 2.79 -0.02 -1.26 -4.31 135.00 131.92 1pkx n PRO 260 Ca -0.17 0.39 -0.17 0.00 -2.02 0.00 0.00 63.50 61.54 1pkx n PRO 260 Cb 0.53 -1.83 -0.11 0.00 -0.02 0.00 0.00 33.50 32.07 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 -0.47 1.46 0.09 3.55 0.00 -1.26 -0.35 121.76 124.79 1pkx s ALA 261 Ca 0.69 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1pkx s ALA 261 Cb -0.83 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1pkx s ALA 261 CO 0.55 0.03 0.01 0.00 0.00 0.00 0.00 175.76 176.34 1pkx s ALA 262 N -2.52 0.68 -0.01 0.00 0.00 -0.52 -1.00 121.76 118.39 1pkx s ALA 262 Ca 0.11 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 1pkx s ALA 262 Cb -0.03 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1pkx s ALA 262 CO 0.02 -0.42 0.25 0.00 0.00 0.00 0.00 175.76 175.61 1pkx s ALA 263 N -3.97 -0.62 -0.29 0.00 0.00 -0.26 -1.96 121.76 114.67 1pkx s ALA 263 Ca 0.15 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1pkx s ALA 263 Cb 0.08 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.37 1pkx s ALA 263 CO -0.05 -0.24 0.02 0.45 0.00 0.00 0.00 175.76 175.94 1pkx s SER 264 N -1.35 4.26 0.08 0.00 0.15 -0.63 -1.96 113.70 114.25 1pkx s SER 264 Ca -0.14 -1.65 -0.01 0.00 0.70 0.00 0.00 55.95 54.85 1pkx s SER 264 Cb -0.06 -1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.92 1pkx s SER 264 CO 0.03 -0.33 0.25 -0.36 1.20 0.00 0.00 173.24 174.03 1pkx s PHE 265 N 1.25 3.51 -0.19 3.44 0.40 -0.45 0.10 117.98 126.03 1pkx s PHE 265 Ca 0.04 0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 56.60 1pkx s PHE 265 Cb -0.19 -1.81 0.08 0.00 0.51 0.00 0.00 43.02 41.62 1pkx s PHE 265 CO -0.11 0.55 0.42 0.15 0.70 0.00 0.00 175.22 176.94 1pkx s LYS 266 N -2.57 0.35 -1.27 0.44 -0.14 -0.57 -0.81 119.74 115.17 1pkx s LYS 266 Ca 0.36 0.99 -0.09 0.00 -1.36 0.00 0.00 55.97 55.88 1pkx s LYS 266 Cb -0.13 0.26 -0.01 0.00 -1.68 0.00 0.00 37.83 36.27 1pkx s LYS 266 CO 0.27 -0.23 0.64 0.72 -0.76 0.00 0.00 175.35 176.00 1pkx n HIS 267 N 5.12 -1.83 -2.79 3.18 8.25 -1.26 -2.85 115.22 123.04 1pkx n HIS 267 Ca -0.12 0.65 -0.18 0.00 -0.26 0.00 0.00 57.72 57.81 1pkx n HIS 267 Cb 0.51 -3.78 0.00 0.00 1.12 0.00 0.00 29.99 27.85 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 -4.25 -1.01 -3.83 1.59 0.31 -1.26 -4.96 118.33 104.91 1pkx n VAL 268 Ca -0.21 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.00 1pkx n VAL 268 Cb 0.64 -2.25 -0.09 0.00 -0.91 0.00 0.00 33.84 31.24 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 -2.34 -0.03 0.10 4.52 0.01 -1.13 -4.23 113.70 110.60 1pkx s SER 269 Ca 0.16 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 1pkx s SER 269 Cb -0.08 0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.35 1pkx s SER 269 CO 0.20 -0.46 1.07 -2.16 0.41 0.00 0.00 173.24 172.31 1pkx s PRO 270 N -1.77 4.57 0.04 12.44 0.04 -1.26 -1.52 135.00 147.55 1pkx s PRO 270 Ca -0.11 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1pkx s PRO 270 Cb -0.05 -3.35 -0.33 0.00 0.04 0.00 0.00 34.50 30.81 1pkx s PRO 270 CO 0.00 0.01 1.04 0.00 0.04 0.00 0.00 177.00 178.09 1pkx h ALA 271 N 5.90 -0.07 -2.88 8.56 0.00 0.34 -3.47 119.26 127.63 1pkx h ALA 271 Ca -0.43 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 53.59 1pkx h ALA 271 Cb 1.21 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1pkx h ALA 271 CO 0.75 0.79 0.05 0.20 0.00 0.00 0.00 179.25 181.04 1pkx s GLY 272 N -4.63 -0.15 -0.21 0.00 0.00 -1.06 -4.55 107.32 96.72 1pkx s GLY 272 Ca -0.07 -0.16 -0.27 0.00 0.00 0.00 0.00 44.72 44.22 1pkx s GLY 272 CO 0.93 -0.22 0.77 0.00 0.00 0.00 0.00 173.10 174.58 1pkx s ALA 273 N -3.86 -1.81 0.10 3.20 0.00 -1.26 -1.61 121.76 116.52 1pkx s ALA 273 Ca 0.08 1.79 -0.25 0.00 0.00 0.00 0.00 51.96 53.58 1pkx s ALA 273 Cb -0.01 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.32 1pkx s ALA 273 CO -0.04 -0.33 0.79 0.00 0.00 0.00 0.00 175.76 176.18 1pkx s ALA 274 N -0.16 -1.66 0.22 0.00 0.00 -0.83 -0.85 121.76 118.48 1pkx s ALA 274 Ca -0.03 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1pkx s ALA 274 Cb -0.03 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1pkx s ALA 274 CO 0.02 -0.80 0.35 0.14 0.00 0.00 0.00 175.76 175.47 1pkx s VAL 275 N -3.44 5.26 -0.69 0.00 -7.23 -0.50 -1.43 120.40 112.38 1pkx s VAL 275 Ca 0.05 -0.80 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 1pkx s VAL 275 Cb -0.02 -3.81 -0.11 0.00 0.56 0.00 0.00 36.38 33.00 1pkx s VAL 275 CO -0.07 -0.26 2.45 0.61 -0.31 0.00 0.00 175.10 177.52 1pkx n GLY 276 N -1.11 3.02 3.70 2.32 0.00 0.53 -4.49 105.19 109.16 1pkx n GLY 276 Ca -0.08 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 2.53 4.36 0.14 -0.61 1.01 -1.26 -4.69 121.20 122.67 1pkx s ILE 277 Ca 0.47 1.68 -0.34 0.00 0.00 0.00 0.00 60.65 62.46 1pkx s ILE 277 Cb 0.16 -4.08 -0.16 0.00 0.01 0.00 0.00 42.46 38.38 1pkx s ILE 277 CO -0.03 0.05 1.15 -2.65 0.00 0.00 0.00 174.94 173.46 1pkx n PRO 278 N 4.71 0.97 -2.84 2.79 -0.02 -1.26 -4.84 135.00 134.50 1pkx n PRO 278 Ca 0.10 0.35 -0.39 0.00 -2.02 0.00 0.00 63.50 61.53 1pkx n PRO 278 Cb 0.47 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 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 0.69 4.55 0.73 2.45 1.02 -1.26 -5.06 118.68 121.80 1pkx s LEU 279 Ca 0.77 1.81 -0.11 0.00 0.02 0.00 0.00 54.13 56.61 1pkx s LEU 279 Cb -0.92 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 41.71 1pkx s LEU 279 CO 0.52 0.12 1.11 -0.94 0.02 0.00 0.00 176.35 177.18 1pkx s SER 280 N -1.30 5.15 0.20 2.29 1.04 -1.26 -4.82 113.70 115.00 1pkx s SER 280 Ca 0.42 1.00 -0.10 0.00 0.48 0.00 0.00 55.95 57.74 1pkx s SER 280 Cb -0.23 -1.70 0.22 0.00 0.10 0.00 0.00 66.02 64.41 1pkx s SER 280 CO 0.28 -1.51 1.79 -0.33 0.98 0.00 0.00 173.24 174.45 1pkx h GLU 281 N -0.76 0.55 -0.29 4.02 5.08 -1.99 -0.84 114.58 120.34 1pkx h GLU 281 Ca -0.45 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.77 1pkx h GLU 281 Cb 1.28 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1pkx h GLU 281 CO 0.64 0.36 -0.24 -0.44 -1.00 0.00 0.00 179.01 178.34 1pkx h ASP 282 N 0.56 0.57 -0.56 1.42 3.32 -1.99 -2.33 116.42 117.40 1pkx h ASP 282 Ca 0.28 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1pkx h ASP 282 Cb 0.22 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1pkx h ASP 282 CO -0.20 0.80 0.02 -0.33 -1.72 0.00 0.00 179.24 177.80 1pkx h GLU 283 N 0.50 0.98 -0.39 3.56 5.08 -1.80 -0.37 114.58 122.14 1pkx h GLU 283 Ca 0.07 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1pkx h GLU 283 Cb 0.68 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1pkx h GLU 283 CO 0.05 0.97 0.26 0.00 -1.00 0.00 0.00 179.01 179.30 1pkx h ALA 284 N 0.97 1.91 0.12 3.43 0.00 -0.87 0.15 119.26 124.97 1pkx h ALA 284 Ca 0.16 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 1pkx h ALA 284 Cb 0.52 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.24 1pkx h ALA 284 CO 0.03 0.03 -1.25 0.87 0.00 0.00 0.00 179.25 178.93 1pkx h LYS 285 N 0.36 0.58 -0.49 0.00 1.57 -0.84 0.12 116.57 117.87 1pkx h LYS 285 Ca 0.16 -0.79 -0.05 0.00 -1.87 0.00 0.00 60.65 58.10 1pkx h LYS 285 Cb 0.20 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1pkx h LYS 285 CO -0.04 1.36 0.10 0.28 -0.57 0.00 0.00 179.45 180.58 1pkx h VAL 286 N 0.25 1.22 -0.01 0.50 2.07 -0.31 -1.43 116.25 118.53 1pkx h VAL 286 Ca -0.18 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1pkx h VAL 286 Cb 1.92 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1pkx h VAL 286 CO 0.23 0.29 0.00 0.00 0.02 0.00 0.00 177.57 178.12 1pkx n MET 288 N -0.44 -6.61 -0.48 0.00 0.00 -0.54 -4.88 117.12 104.17 1pkx n MET 288 Ca 0.21 0.73 0.01 0.00 0.00 0.00 0.00 57.70 58.65 1pkx n MET 288 Cb 0.22 -5.67 0.01 0.00 0.00 0.00 0.00 33.22 27.79 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 -4.68 0.17 -0.22 2.03 0.24 0.34 -4.85 118.33 111.37 1pkx n VAL 289 Ca -0.07 -0.22 -0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1pkx n VAL 289 Cb 0.58 0.44 0.23 0.00 -1.47 0.00 0.00 33.84 33.63 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 0.02 0.96 0.00 6.34 3.20 -1.74 -1.58 116.97 124.17 1pkx h TYR 290 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1pkx h TYR 290 Cb 1.37 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1pkx h TYR 290 CO 0.09 0.63 0.00 0.38 -1.64 0.00 0.00 178.16 177.62 1pkx h ASP 291 N 1.02 0.00 -0.24 -2.11 2.03 -1.89 0.72 116.42 115.95 1pkx h ASP 291 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1pkx h ASP 291 Cb -0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 1pkx h ASP 291 CO -0.05 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.34 1pkx n LEU 292 N -2.56 2.59 -0.37 0.15 4.77 -0.63 -4.79 117.00 116.16 1pkx n LEU 292 Ca -0.01 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 1pkx n LEU 292 Cb 0.09 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1pkx n LEU 292 CO 0.15 0.63 0.58 0.00 -1.33 0.00 0.00 177.39 177.42 1pkx n TYR 293 N 0.42 0.08 0.30 -1.77 9.36 0.24 -1.13 117.16 124.67 1pkx n TYR 293 Ca 0.09 1.20 0.19 0.00 3.32 0.00 0.00 57.90 62.70 1pkx n TYR 293 Cb 0.37 -0.90 0.99 0.00 -0.63 0.00 0.00 39.34 39.18 1pkx n TYR 293 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1pkx h LYS 294 N 0.00 0.00 -0.02 2.98 6.56 -1.87 -2.68 116.57 121.55 1pkx h LYS 294 Ca 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 1pkx h LYS 294 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 1pkx h LYS 294 CO -0.97 0.00 -0.17 0.25 -2.06 0.00 0.00 179.45 176.50 1pkx n THR 295 N -2.90 0.00 -1.69 -0.16 -2.24 -0.28 -5.02 114.28 101.99 1pkx n THR 295 Ca -0.02 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 1pkx n THR 295 Cb 0.11 1.35 0.02 0.00 -2.10 0.00 0.00 70.33 69.71 1pkx n THR 295 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pkx n LEU 296 N 0.66 3.99 -4.43 3.22 4.77 -1.01 -4.85 117.00 119.35 1pkx n LEU 296 Ca 0.10 1.07 -0.21 0.00 -0.03 0.00 0.00 56.01 56.95 1pkx n LEU 296 Cb 0.48 -1.48 -0.11 0.00 -2.33 0.00 0.00 43.42 39.98 1pkx n LEU 296 CO 0.18 -0.81 -0.28 0.42 -1.33 0.00 0.00 177.39 175.57 1pkx s THR 297 N -1.23 1.17 0.24 -5.08 -4.23 -1.26 -4.98 115.64 100.26 1pkx s THR 297 Ca 0.63 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1pkx s THR 297 Cb -0.50 -2.73 0.19 0.00 1.34 0.00 0.00 72.50 70.81 1pkx s THR 297 CO 0.56 -0.05 1.77 -0.65 -0.54 0.00 0.00 174.62 175.72 1pkx h PRO 298 N 2.17 0.59 -0.30 3.99 0.11 -1.96 0.35 132.00 136.95 1pkx h PRO 298 Ca -0.40 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 1pkx h PRO 298 Cb 1.24 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pkx h PRO 298 CO 0.69 0.39 -0.38 0.97 -0.21 0.00 0.00 178.00 179.46 1pkx h ILE 299 N 0.61 1.29 -0.08 4.15 6.09 -1.89 -1.60 117.51 126.08 1pkx h ILE 299 Ca 0.38 -1.56 -0.10 0.00 -1.37 0.00 0.00 64.86 62.21 1pkx h ILE 299 Cb 0.44 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 39.30 1pkx h ILE 299 CO -0.29 0.50 -0.39 0.77 -3.07 0.00 0.00 178.15 175.67 1pkx h SER 300 N 0.54 0.18 -0.13 2.19 4.64 -1.86 -1.67 113.55 117.44 1pkx h SER 300 Ca 0.04 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1pkx h SER 300 Cb 0.96 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1pkx h SER 300 CO 0.09 0.55 -0.27 0.00 -0.87 0.00 0.00 176.83 176.33 1pkx h ALA 301 N 1.46 0.98 0.11 5.18 0.00 -0.82 1.00 119.26 127.17 1pkx h ALA 301 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1pkx h ALA 301 Cb 0.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1pkx h ALA 301 CO 0.06 0.60 -0.05 0.00 0.00 0.00 0.00 179.25 179.85 1pkx h ALA 302 N 1.19 -0.15 -0.76 0.00 0.00 -0.68 -0.80 119.26 118.05 1pkx h ALA 302 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1pkx h ALA 302 Cb 0.74 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1pkx h ALA 302 CO 0.06 -0.53 0.28 -0.92 0.00 0.00 0.00 179.25 178.14 1pkx h TYR 303 N -0.26 1.17 -0.84 0.00 3.20 -1.09 -0.90 116.97 118.26 1pkx h TYR 303 Ca -0.02 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.78 1pkx h TYR 303 Cb 0.21 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 1pkx h TYR 303 CO -0.04 0.90 0.55 0.00 -1.64 0.00 0.00 178.16 177.93 1pkx h ALA 304 N 1.19 1.08 -0.27 1.82 0.00 -0.60 -0.16 119.26 122.32 1pkx h ALA 304 Ca 0.25 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1pkx h ALA 304 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pkx h ALA 304 CO -0.02 0.44 -0.36 0.00 0.00 0.00 0.00 179.25 179.31 1pkx h ARG 305 N 1.11 0.60 0.24 0.00 3.08 -0.69 -1.41 114.38 117.32 1pkx h ARG 305 Ca 0.32 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1pkx h ARG 305 Cb -0.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1pkx h ARG 305 CO -0.08 0.87 -0.12 0.00 -1.07 0.00 0.00 179.97 179.58 1pkx h ALA 306 N 1.10 -0.32 0.00 0.04 0.00 -0.33 -2.95 119.26 116.80 1pkx h ALA 306 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1pkx h ALA 306 Cb 0.86 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pkx h ALA 306 CO 0.07 -0.58 -0.14 -0.09 0.00 0.00 0.00 179.25 178.51 1pkx h ARG 307 N -0.53 0.00 0.00 0.00 2.43 -1.11 -3.19 114.38 111.99 1pkx h ARG 307 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1pkx h ARG 307 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1pkx h ARG 307 CO 0.05 0.14 0.00 0.78 -1.51 0.00 0.00 179.97 179.44 1pkx h GLY 308 N 1.98 0.00 0.60 2.80 0.00 -1.08 -3.30 103.07 104.07 1pkx h GLY 308 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1pkx h GLY 308 CO 0.02 0.00 0.19 0.00 0.00 0.00 0.00 176.54 176.75 1pkx h ALA 309 N 2.03 0.60 -1.70 3.60 0.00 -1.51 -3.39 119.26 118.89 1pkx h ALA 309 Ca 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 1pkx h ALA 309 Cb 0.71 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.22 1pkx h ALA 309 CO 0.00 -0.19 -0.60 0.34 0.00 0.00 0.00 179.25 178.80 1pkx s ASP 310 N -5.41 0.45 0.54 0.00 -1.08 -1.25 -4.72 116.67 105.20 1pkx s ASP 310 Ca -0.13 -1.09 0.20 0.00 -0.52 0.00 0.00 52.55 51.01 1pkx s ASP 310 Cb 0.14 0.98 1.41 0.00 -1.46 0.00 0.00 42.92 43.99 1pkx s ASP 310 CO 0.73 -0.27 2.16 0.03 0.52 0.00 0.00 175.17 178.34 1pkx h ARG 311 N 7.37 0.00 -0.07 4.34 3.08 -1.76 -1.70 114.38 125.64 1pkx h ARG 311 Ca 0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.81 1pkx h ARG 311 Cb 1.10 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.16 1pkx h ARG 311 CO 0.20 0.00 -0.91 0.52 -1.07 0.00 0.00 179.97 178.71 1pkx h MET 312 N 0.00 0.75 0.00 0.04 2.86 -1.91 -2.89 114.93 113.78 1pkx h MET 312 Ca 0.03 -0.71 -0.04 0.00 -2.06 0.00 0.00 59.70 56.92 1pkx h MET 312 Cb 0.11 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1pkx h MET 312 CO -0.00 1.29 -0.18 0.77 1.06 0.00 0.00 176.91 179.86 1pkx h SER 313 N 0.46 0.00 0.61 1.22 0.02 -1.88 -2.67 113.55 111.30 1pkx h SER 313 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1pkx h SER 313 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1pkx h SER 313 CO 0.18 0.18 -0.10 -1.20 -1.14 0.00 0.00 176.83 174.75 1pkx n SER 314 N -3.26 0.22 -4.65 3.07 7.64 -0.67 -4.70 113.62 111.27 1pkx n SER 314 Ca 0.01 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.34 1pkx n SER 314 Cb 0.45 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.71 1.38 -0.34 1.43 2.19 -1.01 -1.20 117.98 117.73 1pkx s PHE 315 Ca 0.22 -0.15 -0.00 0.00 0.33 0.00 0.00 56.93 57.34 1pkx s PHE 315 Cb 0.19 -4.14 0.00 0.00 -1.31 0.00 0.00 43.02 37.77 1pkx s PHE 315 CO 0.52 -4.96 0.00 0.41 1.83 0.00 0.00 175.22 173.02 1pkx n GLY 316 N 4.73 0.21 3.82 13.12 0.00 0.15 -4.99 105.19 122.23 1pkx n GLY 316 Ca 0.21 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.82 4.64 -0.21 1.61 -4.77 -0.34 -3.97 116.67 110.81 1pkx s ASP 317 Ca 0.00 1.27 -0.03 0.00 -3.30 0.00 0.00 52.55 50.48 1pkx s ASP 317 Cb -0.00 -2.01 -0.01 0.00 -1.09 0.00 0.00 42.92 39.81 1pkx s ASP 317 CO 0.00 -1.87 -0.05 0.12 0.70 0.00 0.00 175.17 174.06 1pkx s PHE 318 N -3.20 2.94 0.17 2.11 2.19 0.01 -0.48 117.98 121.73 1pkx s PHE 318 Ca 0.60 -0.88 -0.16 0.00 0.33 0.00 0.00 56.93 56.82 1pkx s PHE 318 Cb -0.14 -2.07 -0.07 0.00 -1.31 0.00 0.00 43.02 39.43 1pkx s PHE 318 CO 0.54 -0.48 0.62 0.08 1.83 0.00 0.00 175.22 177.80 1pkx s VAL 319 N 1.29 4.74 -0.03 3.12 1.01 0.61 -1.35 120.40 129.80 1pkx s VAL 319 Ca 0.03 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1pkx s VAL 319 Cb -0.14 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1pkx s VAL 319 CO -0.02 0.24 -0.05 0.00 0.00 0.00 0.00 175.10 175.26 1pkx s ALA 320 N -1.48 0.63 0.01 5.51 0.00 -0.83 -0.31 121.76 125.29 1pkx s ALA 320 Ca 0.40 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.28 1pkx s ALA 320 Cb -0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1pkx s ALA 320 CO 0.20 0.05 -0.20 -0.51 0.00 0.00 0.00 175.76 175.30 1pkx s LEU 321 N 0.49 2.09 0.11 0.00 1.43 -0.82 -1.10 118.68 120.89 1pkx s LEU 321 Ca -0.06 -0.42 0.25 0.00 -1.03 0.00 0.00 54.13 52.87 1pkx s LEU 321 Cb -0.10 -0.97 0.59 0.00 0.03 0.00 0.00 46.19 45.73 1pkx s LEU 321 CO 0.00 0.20 1.52 -1.54 0.23 0.00 0.00 176.35 176.76 1pkx n SER 322 N 2.28 0.62 -4.40 2.29 3.41 -0.17 -4.21 113.62 113.45 1pkx n SER 322 Ca -0.16 0.23 -0.20 0.00 -0.26 0.00 0.00 58.87 58.48 1pkx n SER 322 Cb 0.53 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 1pkx n SER 322 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1pkx s ASP 323 N -3.99 2.22 0.19 4.04 1.11 -1.26 -4.76 116.67 114.21 1pkx s ASP 323 Ca 0.09 -1.30 -0.33 0.00 0.18 0.00 0.00 52.55 51.19 1pkx s ASP 323 Cb 0.14 -0.06 -0.14 0.00 1.07 0.00 0.00 42.92 43.93 1pkx s ASP 323 CO 0.66 -0.54 1.48 0.52 1.18 0.00 0.00 175.17 178.47 1pkx n VAL 324 N -0.58 0.40 -2.23 -1.27 0.31 -1.26 -4.44 118.33 109.26 1pkx n VAL 324 Ca -0.03 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 1pkx n VAL 324 Cb 0.65 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 32.13 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 2.06 5.65 0.24 0.00 1.47 -1.26 -1.61 116.67 123.21 1pkx s ASP 326 Ca 0.63 -0.37 -0.05 0.00 1.18 0.00 0.00 52.55 53.95 1pkx s ASP 326 Cb -0.30 -0.71 0.39 0.00 -0.34 0.00 0.00 42.92 41.95 1pkx s ASP 326 CO 0.25 -0.77 1.80 0.58 0.68 0.00 0.00 175.17 177.71 1pkx h VAL 327 N 0.61 0.89 -0.41 2.11 2.07 -1.94 -1.47 116.25 118.11 1pkx h VAL 327 Ca -0.40 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1pkx h VAL 327 Cb 1.28 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1pkx h VAL 327 CO 0.46 0.14 0.15 -0.65 0.02 0.00 0.00 177.57 177.68 1pkx h PRO 328 N 0.74 0.59 -0.17 1.57 0.11 -1.96 0.04 132.00 132.91 1pkx h PRO 328 Ca 0.39 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 66.29 1pkx h PRO 328 Cb 0.37 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1pkx h PRO 328 CO -0.25 0.50 -0.37 1.15 -0.21 0.00 0.00 178.00 178.82 1pkx h THR 329 N 0.58 1.34 -0.59 -1.15 2.02 -1.72 -2.56 112.91 110.83 1pkx h THR 329 Ca 0.14 -1.61 -0.04 0.00 0.77 0.00 0.00 66.41 65.67 1pkx h THR 329 Cb 0.15 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 1pkx h THR 329 CO -0.01 0.49 0.23 0.00 0.37 0.00 0.00 175.52 176.60 1pkx h ALA 330 N 0.58 1.28 -0.41 6.16 0.00 -0.79 -2.00 119.26 124.08 1pkx h ALA 330 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1pkx h ALA 330 Cb 0.97 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1pkx h ALA 330 CO 0.08 0.53 -0.33 0.87 0.00 0.00 0.00 179.25 180.40 1pkx h LYS 331 N 0.85 0.95 -0.34 0.00 1.57 -0.99 0.55 116.57 119.17 1pkx h LYS 331 Ca 0.20 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1pkx h LYS 331 Cb 0.18 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1pkx h LYS 331 CO -0.02 1.13 0.21 0.82 -0.57 0.00 0.00 179.45 181.02 1pkx h ILE 332 N 0.79 1.11 -0.36 1.86 2.04 -1.24 -2.94 117.51 118.78 1pkx h ILE 332 Ca 0.08 -0.25 -0.16 0.00 1.00 0.00 0.00 64.86 65.52 1pkx h ILE 332 Cb 0.92 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1pkx h ILE 332 CO 0.09 0.11 -0.41 0.40 0.00 0.00 0.00 178.15 178.33 1pkx h ILE 333 N 0.44 1.27 -1.01 -0.67 2.04 -1.19 -3.22 117.51 115.18 1pkx h ILE 333 Ca 0.12 -1.59 0.23 0.00 1.00 0.00 0.00 64.86 64.62 1pkx h ILE 333 Cb -0.00 1.43 -0.11 0.00 -0.74 0.00 0.00 36.82 37.40 1pkx h ILE 333 CO -0.02 0.53 0.61 -1.28 0.00 0.00 0.00 178.15 177.99 1pkx h SER 334 N 0.72 0.66 -0.29 1.72 0.87 0.29 -1.31 113.55 116.21 1pkx h SER 334 Ca 0.05 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1pkx h SER 334 Cb 1.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1pkx h SER 334 CO 0.10 0.15 0.00 -2.11 -0.53 0.00 0.00 176.83 174.44 1pkx n ARG 335 N -4.80 1.94 -4.22 2.24 1.85 -1.19 -4.92 116.66 107.57 1pkx n ARG 335 Ca 0.26 -1.44 -0.23 0.00 -1.00 0.00 0.00 57.85 55.44 1pkx n ARG 335 Cb 0.72 -1.39 -0.07 0.00 -1.05 0.00 0.00 32.46 30.68 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 -1.62 2.38 -0.38 2.89 0.41 -0.50 -5.00 118.70 116.88 1pkx s GLU 336 Ca 0.32 -1.43 -0.25 0.00 -0.41 0.00 0.00 54.97 53.20 1pkx s GLU 336 Cb 0.17 -2.20 0.02 0.00 -1.78 0.00 0.00 34.13 30.34 1pkx s GLU 336 CO 0.25 0.28 0.89 0.08 -0.49 0.00 0.00 175.26 176.27 1pkx s VAL 337 N -2.34 4.60 0.03 2.63 1.01 -1.26 -5.00 120.40 120.07 1pkx s VAL 337 Ca 0.34 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.33 1pkx s VAL 337 Cb -0.05 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1pkx s VAL 337 CO 0.21 -0.56 0.03 -0.55 0.00 0.00 0.00 175.10 174.23 1pkx s SER 338 N 1.93 0.24 -0.11 3.32 0.15 -1.26 -0.68 113.70 117.29 1pkx s SER 338 Ca 0.36 -0.56 0.08 0.00 0.70 0.00 0.00 55.95 56.53 1pkx s SER 338 Cb -0.12 0.17 -0.24 0.00 -1.71 0.00 0.00 66.02 64.13 1pkx s SER 338 CO 0.19 -0.43 0.41 0.47 1.20 0.00 0.00 173.24 175.08 1pkx n ASP 339 N 1.04 1.11 0.00 5.45 9.92 0.37 -4.84 116.55 129.60 1pkx n ASP 339 Ca -0.20 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1pkx n ASP 339 Cb 0.57 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 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 1.75 -1.16 3.29 0.44 0.00 -1.21 -3.46 105.19 104.84 1pkx n GLY 340 Ca -0.26 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.02 0.04 -0.01 -0.61 2.07 -0.43 -0.28 121.20 119.96 1pkx s ILE 341 Ca 0.00 -0.31 0.04 0.00 -1.41 0.00 0.00 60.65 58.97 1pkx s ILE 341 Cb 0.00 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 1pkx s ILE 341 CO 0.00 -0.17 -0.13 -0.51 -1.91 0.00 0.00 174.94 172.22 1pkx s ILE 342 N -0.97 1.00 0.17 2.00 2.07 0.57 -0.71 121.20 125.33 1pkx s ILE 342 Ca -0.10 -0.56 -0.24 0.00 -1.41 0.00 0.00 60.65 58.34 1pkx s ILE 342 Cb -0.04 -0.84 0.06 0.00 0.13 0.00 0.00 42.46 41.77 1pkx s ILE 342 CO 0.04 0.27 0.80 0.00 -1.91 0.00 0.00 174.94 174.14 1pkx s ALA 343 N -0.33 -1.53 -0.60 1.50 0.00 -0.80 -1.95 121.76 118.05 1pkx s ALA 343 Ca 0.05 0.20 0.24 0.00 0.00 0.00 0.00 51.96 52.44 1pkx s ALA 343 Cb -0.05 0.72 0.92 0.00 0.00 0.00 0.00 23.12 24.71 1pkx s ALA 343 CO -0.00 -0.93 1.71 -0.35 0.00 0.00 0.00 175.76 176.19 1pkx n PRO 344 N -0.41 0.19 0.00 0.00 -0.04 -1.26 0.25 135.00 133.72 1pkx n PRO 344 Ca -0.08 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1pkx n PRO 344 Cb 0.61 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.36 0.54 2.99 0.55 0.00 -1.26 -4.58 105.19 103.78 1pkx n GLY 345 Ca 0.03 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 0.56 0.35 1.61 1.51 -1.26 -1.10 117.35 117.02 1pkx s TYR 346 Ca 0.00 -0.20 -0.27 0.00 -1.01 0.00 0.00 57.07 55.60 1pkx s TYR 346 Cb 0.00 -0.35 -0.09 0.00 -0.11 0.00 0.00 41.96 41.40 1pkx s TYR 346 CO 0.00 -0.02 1.13 -1.21 -1.11 0.00 0.00 175.55 174.33 1pkx s GLU 347 N -0.50 4.33 0.25 -0.62 2.02 -0.63 -4.83 118.70 118.72 1pkx s GLU 347 Ca -0.01 1.79 -0.07 0.00 0.02 0.00 0.00 54.97 56.70 1pkx s GLU 347 Cb -0.04 -2.88 0.44 0.00 0.10 0.00 0.00 34.13 31.75 1pkx s GLU 347 CO -0.00 -0.07 1.61 1.05 0.02 0.00 0.00 175.26 177.88 1pkx h GLU 348 N 3.12 0.05 -0.36 1.61 -0.00 -2.00 0.24 114.58 117.24 1pkx h GLU 348 Ca -0.48 -0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 58.73 1pkx h GLU 348 Cb 1.22 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.95 1pkx h GLU 348 CO 0.64 0.03 -0.36 1.49 -0.00 0.00 0.00 179.01 180.81 1pkx h GLU 349 N 0.05 0.85 -0.77 1.06 4.81 -1.96 -2.59 114.58 116.02 1pkx h GLU 349 Ca 0.42 -0.43 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1pkx h GLU 349 Cb 0.73 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 1pkx h GLU 349 CO -0.76 1.07 0.49 0.00 -0.73 0.00 0.00 179.01 179.09 1pkx h ALA 350 N 0.88 1.01 -0.18 2.92 0.00 -1.33 -2.42 119.26 120.15 1pkx h ALA 350 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pkx h ALA 350 Cb 0.93 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1pkx h ALA 350 CO 0.09 0.30 0.10 1.25 0.00 0.00 0.00 179.25 180.99 1pkx h LEU 351 N 0.96 0.21 -0.76 0.00 5.85 -0.90 -1.69 115.31 118.99 1pkx h LEU 351 Ca 0.31 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.06 1pkx h LEU 351 Cb 0.00 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 1pkx h LEU 351 CO -0.11 0.22 0.41 0.74 -0.34 0.00 0.00 178.44 179.36 1pkx h THR 352 N 0.20 0.87 0.08 1.05 2.02 -1.17 0.83 112.91 116.78 1pkx h THR 352 Ca 0.06 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1pkx h THR 352 Cb 0.04 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1pkx h THR 352 CO -0.01 0.12 -0.04 0.40 0.37 0.00 0.00 175.52 176.37 1pkx h ILE 353 N 0.68 1.08 -0.15 3.11 2.04 -1.17 -3.03 117.51 120.07 1pkx h ILE 353 Ca 0.37 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1pkx h ILE 353 Cb 0.37 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1pkx h ILE 353 CO -0.26 0.14 0.09 -0.07 0.00 0.00 0.00 178.15 178.05 1pkx h LEU 354 N -0.35 0.17 -2.01 1.44 3.38 -1.04 -2.33 115.31 114.57 1pkx h LEU 354 Ca -0.01 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1pkx h LEU 354 Cb 0.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1pkx h LEU 354 CO 0.02 0.16 0.36 0.28 0.09 0.00 0.00 178.44 179.34 1pkx h SER 355 N 0.18 0.00 0.19 -0.43 0.02 -0.86 -1.42 113.55 111.22 1pkx h SER 355 Ca 0.05 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 1pkx h SER 355 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1pkx h SER 355 CO -0.01 0.00 -0.67 0.11 -1.14 0.00 0.00 176.83 175.12 1pkx h LYS 356 N 0.00 0.44 -6.70 3.45 6.56 -1.29 -3.33 116.57 115.71 1pkx h LYS 356 Ca 0.07 -0.33 -0.56 0.00 -1.06 0.00 0.00 60.65 58.77 1pkx h LYS 356 Cb 0.79 0.06 0.19 0.00 -0.57 0.00 0.00 32.23 32.70 1pkx h LYS 356 CO -0.00 0.96 -0.37 1.63 -2.06 0.00 0.00 179.45 179.61 1pkx n LYS 357 N -3.88 0.26 -3.92 3.15 5.02 -0.54 -1.67 118.16 116.59 1pkx n LYS 357 Ca -0.04 0.13 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 1pkx n LYS 357 Cb 0.67 -1.87 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 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 -0.94 -3.41 -3.87 1.97 5.02 -1.26 -1.87 118.16 113.80 1pkx n LYS 358 Ca 0.10 0.43 -0.28 0.00 -2.02 0.00 0.00 58.31 56.54 1pkx n LYS 358 Cb 0.50 -4.58 0.02 0.00 -0.02 0.00 0.00 35.03 30.95 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 -2.99 -3.47 -0.08 4.39 3.02 -1.22 -1.41 115.26 113.51 1pkx n ASN 359 Ca -0.31 -0.81 -0.01 0.00 -0.03 0.00 0.00 54.58 53.42 1pkx n ASN 359 Cb 0.68 -3.86 -0.00 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.67 0.47 0.50 7.41 0.00 -0.67 -4.91 105.19 106.32 1pkx n GLY 360 Ca -0.07 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 0.17 2.14 -4.62 1.61 3.02 -0.50 -4.50 115.26 112.58 1pkx n ASN 361 Ca -0.01 -1.57 -0.48 0.00 -0.03 0.00 0.00 54.58 52.49 1pkx n ASN 361 Cb 0.11 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 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 0.63 1.72 -2.51 3.10 9.36 -0.90 -4.15 117.16 124.41 1pkx n TYR 362 Ca 0.08 0.54 -0.43 0.00 3.32 0.00 0.00 57.90 61.41 1pkx n TYR 362 Cb 0.31 -2.38 -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 3.64 1.54 -0.04 0.00 1.01 -0.29 -1.31 120.40 124.96 1pkx s VAL 364 Ca 0.51 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1pkx s VAL 364 Cb -0.18 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1pkx s VAL 364 CO 0.14 0.14 -0.13 -0.76 0.00 0.00 0.00 175.10 174.50 1pkx s LEU 365 N 1.44 2.82 -0.18 3.92 1.43 0.11 -0.80 118.68 127.42 1pkx s LEU 365 Ca -0.01 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1pkx s LEU 365 Cb -0.16 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 1pkx s LEU 365 CO -0.08 0.34 -0.03 -1.58 0.23 0.00 0.00 176.35 175.23 1pkx s GLN 366 N -0.86 3.62 -0.14 1.70 0.74 0.03 -1.90 119.66 122.85 1pkx s GLN 366 Ca 0.12 -0.53 -0.03 0.00 0.05 0.00 0.00 55.36 54.97 1pkx s GLN 366 Cb -0.11 -2.97 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 1pkx s GLN 366 CO 0.02 0.13 -0.03 1.41 -0.55 0.00 0.00 175.29 176.26 1pkx s MET 367 N 0.67 3.51 -0.27 1.67 -2.45 0.14 -1.00 119.30 121.57 1pkx s MET 367 Ca -0.02 -0.50 -0.29 0.00 -1.25 0.00 0.00 55.69 53.63 1pkx s MET 367 Cb -0.14 -2.88 -0.01 0.00 1.25 0.00 0.00 34.83 33.05 1pkx s MET 367 CO 0.02 0.34 1.44 0.34 1.05 0.00 0.00 175.02 178.21 1pkx s ASP 368 N 0.10 6.54 0.00 1.11 -1.08 -0.46 -4.21 116.67 118.67 1pkx s ASP 368 Ca -0.00 1.38 0.28 0.00 -0.52 0.00 0.00 52.55 53.68 1pkx s ASP 368 Cb -0.13 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 40.14 1pkx s ASP 368 CO 0.03 -1.17 1.94 0.00 0.52 0.00 0.00 175.17 176.49 1pkx n GLN 369 N 7.48 0.30 0.05 4.34 10.64 -1.26 -2.52 117.38 136.41 1pkx n GLN 369 Ca 0.17 0.03 0.13 0.00 -1.83 0.00 0.00 57.00 55.49 1pkx n GLN 369 Cb 0.46 -1.50 0.31 0.00 -0.86 0.00 0.00 30.24 28.65 1pkx n GLN 369 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1pkx n SER 370 N -1.34 0.58 -4.75 2.61 3.41 -1.26 -4.87 113.62 108.00 1pkx n SER 370 Ca 0.12 0.21 -0.41 0.00 -0.26 0.00 0.00 58.87 58.52 1pkx n SER 370 Cb 0.24 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 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 -3.09 3.02 -0.01 7.33 5.04 -1.05 -5.03 117.35 123.56 1pkx s TYR 371 Ca 0.09 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 1pkx s TYR 371 Cb 0.15 -3.80 0.01 0.00 0.35 0.00 0.00 41.96 38.67 1pkx s TYR 371 CO 0.66 -2.56 -0.02 -1.59 -1.34 0.00 0.00 175.55 170.70 1pkx s LYS 372 N -0.52 0.30 0.59 4.97 0.00 -1.26 -5.06 119.74 118.75 1pkx s LYS 372 Ca 0.58 -0.04 -0.13 0.00 0.00 0.00 0.00 55.97 56.38 1pkx s LYS 372 Cb -0.41 -0.36 -0.05 0.00 0.00 0.00 0.00 37.83 37.00 1pkx s LYS 372 CO 0.44 -0.01 1.02 -1.25 0.00 0.00 0.00 175.35 175.55 1pkx s PRO 373 N 0.38 3.63 0.83 1.78 0.04 -1.26 -5.05 135.00 135.35 1pkx s PRO 373 Ca -0.04 0.87 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 1pkx s PRO 373 Cb -0.07 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.48 1pkx s PRO 373 CO -0.01 -0.54 1.11 -0.51 0.04 0.00 0.00 177.00 177.09 1pkx s ASP 374 N -3.66 3.88 0.33 6.66 1.01 -1.26 -4.94 116.67 118.69 1pkx s ASP 374 Ca 0.57 1.93 0.17 0.00 0.71 0.00 0.00 52.55 55.93 1pkx s ASP 374 Cb -0.11 -2.52 0.49 0.00 1.01 0.00 0.00 42.92 41.78 1pkx s ASP 374 CO 0.45 -2.45 1.64 -0.33 0.21 0.00 0.00 175.17 174.69 1pkx h GLU 375 N -1.42 0.00 -5.97 8.23 5.08 -1.98 -3.45 114.58 115.07 1pkx h GLU 375 Ca -0.44 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.31 1pkx h GLU 375 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1pkx h GLU 375 CO 0.48 0.45 -0.38 1.21 -1.00 0.00 0.00 179.01 179.77 1pkx s ASN 376 N -6.49 6.48 -0.00 1.42 3.84 -1.26 0.61 114.94 119.53 1pkx s ASN 376 Ca 0.01 0.53 -0.04 0.00 0.21 0.00 0.00 52.86 53.56 1pkx s ASN 376 Cb 0.10 -2.07 -0.00 0.00 -0.55 0.00 0.00 41.25 38.73 1pkx s ASN 376 CO 0.71 0.19 0.07 -1.83 -2.79 0.00 0.00 177.10 173.45 1pkx s GLU 377 N -2.09 0.34 0.06 0.43 -1.05 -0.44 -4.84 118.70 111.11 1pkx s GLU 377 Ca 0.32 -0.34 0.05 0.00 -0.15 0.00 0.00 54.97 54.84 1pkx s GLU 377 Cb -0.13 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.67 1pkx s GLU 377 CO 0.20 -0.07 -0.13 0.54 0.95 0.00 0.00 175.26 176.75 1pkx s VAL 378 N -1.07 1.00 0.11 1.83 0.11 -1.26 -1.62 120.40 119.50 1pkx s VAL 378 Ca -0.12 -1.20 0.03 0.00 -2.93 0.00 0.00 61.98 57.77 1pkx s VAL 378 Cb -0.07 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1pkx s VAL 378 CO 0.00 -0.21 -0.09 0.00 -3.33 0.00 0.00 175.10 171.48 1pkx s ARG 379 N -1.59 0.88 -0.10 1.54 1.70 -0.66 -5.00 118.95 115.72 1pkx s ARG 379 Ca -0.03 -1.27 -0.01 0.00 -0.47 0.00 0.00 55.73 53.95 1pkx s ARG 379 Cb -0.10 -0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 33.82 1pkx s ARG 379 CO 0.02 0.04 -0.06 0.99 -1.08 0.00 0.00 175.30 175.21 1pkx s THR 380 N -3.02 3.71 -0.08 4.99 2.01 -1.26 -1.53 115.64 120.46 1pkx s THR 380 Ca 0.10 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1pkx s THR 380 Cb 0.01 -2.56 0.04 0.00 0.01 0.00 0.00 72.50 70.00 1pkx s THR 380 CO -0.01 0.56 0.05 -0.22 -0.69 0.00 0.00 174.62 174.30 1pkx s LEU 381 N -0.29 0.33 -1.51 4.42 2.96 0.03 -4.82 118.68 119.80 1pkx s LEU 381 Ca 0.04 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 1pkx s LEU 381 Cb -0.13 -0.25 0.06 0.00 0.50 0.00 0.00 46.19 46.38 1pkx s LEU 381 CO 0.02 -0.26 0.66 0.33 -1.32 0.00 0.00 176.35 175.78 1pkx n PHE 382 N 5.25 -1.83 -0.08 5.38 7.35 -1.26 -1.10 117.46 131.18 1pkx n PHE 382 Ca -0.05 0.80 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 1pkx n PHE 382 Cb 0.50 -3.63 0.00 0.00 0.35 0.00 0.00 39.48 36.70 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 -1.72 2.14 3.98 7.13 0.00 -1.26 -4.99 105.19 110.46 1pkx n GLY 383 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 3.86 -0.13 0.99 1.43 -0.26 -5.08 118.68 119.49 1pkx s LEU 384 Ca 0.00 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1pkx s LEU 384 Cb 0.00 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.34 1pkx s LEU 384 CO 0.00 -0.53 -0.22 -1.00 0.23 0.00 0.00 176.35 174.82 1pkx s HIS 385 N -2.31 2.64 -0.21 0.29 3.76 -1.26 -0.79 115.29 117.41 1pkx s HIS 385 Ca 0.46 -1.27 -0.06 0.00 -0.15 0.00 0.00 55.06 54.04 1pkx s HIS 385 Cb -0.10 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 1pkx s HIS 385 CO 0.33 -0.56 0.02 -0.51 -0.85 0.00 0.00 174.74 173.17 1pkx s LEU 386 N 0.69 3.33 0.08 0.89 1.43 -0.58 -4.97 118.68 119.55 1pkx s LEU 386 Ca -0.10 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1pkx s LEU 386 Cb -0.16 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1pkx s LEU 386 CO 0.01 0.04 -0.21 -0.55 0.23 0.00 0.00 176.35 175.87 1pkx s SER 387 N 1.15 3.64 0.05 2.29 0.15 -1.26 -1.66 113.70 118.06 1pkx s SER 387 Ca 0.03 -0.56 -0.27 0.00 0.70 0.00 0.00 55.95 55.86 1pkx s SER 387 Cb -0.14 -0.47 0.09 0.00 -1.71 0.00 0.00 66.02 63.79 1pkx s SER 387 CO 0.02 0.22 0.79 0.00 1.20 0.00 0.00 173.24 175.46 1pkx s GLN 388 N -1.75 0.98 0.29 5.44 -2.07 -0.64 -5.02 119.66 116.89 1pkx s GLN 388 Ca 0.15 -0.34 -0.29 0.00 -1.82 0.00 0.00 55.36 53.06 1pkx s GLN 388 Cb -0.10 0.45 -0.09 0.00 -1.09 0.00 0.00 33.01 32.17 1pkx s GLN 388 CO 0.06 -0.43 1.09 0.21 -1.32 0.00 0.00 175.29 174.91 1pkx s LYS 389 N -3.27 4.61 1.08 9.60 2.20 -1.26 -1.32 119.74 131.37 1pkx s LYS 389 Ca 0.03 1.77 -0.13 0.00 -0.36 0.00 0.00 55.97 57.29 1pkx s LYS 389 Cb -0.01 -3.14 0.23 0.00 -1.51 0.00 0.00 37.83 33.40 1pkx s LYS 389 CO -0.10 0.19 1.07 -0.98 -0.36 0.00 0.00 175.35 175.17 1pkx s ARG 390 N -1.52 -0.22 -0.87 4.03 1.70 0.20 -4.86 118.95 117.41 1pkx s ARG 390 Ca 0.45 0.57 -0.22 0.00 -0.47 0.00 0.00 55.73 56.06 1pkx s ARG 390 Cb -0.31 -1.66 0.08 0.00 -0.57 0.00 0.00 34.95 32.49 1pkx s ARG 390 CO 0.40 -3.18 1.21 1.21 -1.08 0.00 0.00 175.30 173.85 1pkx s ASN 391 N -3.14 6.42 -0.48 -2.89 3.84 -1.26 -4.83 114.94 112.59 1pkx s ASN 391 Ca 0.67 -1.40 0.03 0.00 0.21 0.00 0.00 52.86 52.37 1pkx s ASN 391 Cb -0.21 -2.48 0.55 0.00 -0.55 0.00 0.00 41.25 38.56 1pkx s ASN 391 CO 0.60 -1.40 1.81 0.59 -2.79 0.00 0.00 177.10 175.92 1pkx n ASN 392 N 7.92 4.93 -4.74 -4.21 3.02 -1.26 -5.00 115.26 115.92 1pkx n ASN 392 Ca 0.17 -3.72 -0.42 0.00 -0.03 0.00 0.00 54.58 50.59 1pkx n ASN 392 Cb 0.49 -0.80 -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 -1.03 1.39 3.70 7.41 0.00 -1.26 -4.95 105.19 110.45 1pkx n GLY 393 Ca 0.55 0.50 -0.39 0.00 0.00 0.00 0.00 46.02 46.67 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 0.26 5.07 -0.36 1.61 1.01 -1.26 -5.04 120.40 121.69 1pkx s VAL 394 Ca 0.67 1.27 -0.06 0.00 0.00 0.00 0.00 61.98 63.85 1pkx s VAL 394 Cb -0.50 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 31.98 1pkx s VAL 394 CO 0.45 0.23 0.15 -0.69 0.00 0.00 0.00 175.10 175.24 1pkx s VAL 395 N 1.04 3.76 0.35 2.92 1.01 -1.26 -4.83 120.40 123.40 1pkx s VAL 395 Ca 0.33 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1pkx s VAL 395 Cb -0.17 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1pkx s VAL 395 CO 0.14 -0.32 0.58 1.51 0.00 0.00 0.00 175.10 177.02 1pkx s ASP 396 N 1.62 0.55 0.23 3.32 -4.77 -1.26 -4.88 116.67 111.48 1pkx s ASP 396 Ca 0.00 -1.33 -0.07 0.00 -3.30 0.00 0.00 52.55 47.85 1pkx s ASP 396 Cb -0.21 0.72 0.38 0.00 -1.09 0.00 0.00 42.92 42.72 1pkx s ASP 396 CO 0.01 -1.42 1.71 0.07 0.70 0.00 0.00 175.17 176.25 1pkx h LYS 397 N 2.08 0.32 -0.79 2.11 5.09 -1.95 -1.23 116.57 122.19 1pkx h LYS 397 Ca -0.29 -0.02 0.15 0.00 0.09 0.00 0.00 60.65 60.58 1pkx h LYS 397 Cb 1.24 -0.07 -0.05 0.00 0.10 0.00 0.00 32.23 33.45 1pkx h LYS 397 CO 0.39 0.21 0.52 1.03 -2.09 0.00 0.00 179.45 179.51 1pkx h SER 398 N 0.32 0.44 -0.51 7.07 0.87 -1.98 -1.93 113.55 117.83 1pkx h SER 398 Ca 0.37 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1pkx h SER 398 Cb 0.57 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1pkx h SER 398 CO -0.42 0.22 0.34 0.25 -0.53 0.00 0.00 176.83 176.68 1pkx h LEU 399 N 0.46 0.59 -2.46 2.23 5.85 -1.54 -2.39 115.31 118.05 1pkx h LEU 399 Ca 0.39 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1pkx h LEU 399 Cb 0.85 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1pkx h LEU 399 CO -0.14 0.43 0.00 0.49 -0.34 0.00 0.00 178.44 178.88 1pkx n PHE 400 N -4.46 1.13 0.80 1.25 3.72 -0.73 -4.43 117.46 114.74 1pkx n PHE 400 Ca 0.05 -0.45 0.11 0.00 -0.05 0.00 0.00 57.45 57.10 1pkx n PHE 400 Cb 0.05 -0.19 0.49 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.83 0.00 -4.06 4.37 3.41 -0.90 -4.19 113.62 113.08 1pkx n SER 401 Ca 0.20 0.47 -0.43 0.00 -0.26 0.00 0.00 58.87 58.85 1pkx n SER 401 Cb 0.70 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.49 6.18 -4.68 4.04 5.15 -1.26 -5.00 115.26 118.20 1pkx n ASN 402 Ca 0.06 -3.34 -0.42 0.00 -0.60 0.00 0.00 54.58 50.27 1pkx n ASN 402 Cb 0.26 -1.28 -0.03 0.00 -0.53 0.00 0.00 39.78 38.21 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 -2.48 4.46 -1.87 3.44 1.01 -1.26 -1.97 120.40 121.73 1pkx s VAL 403 Ca 0.31 1.76 0.17 0.00 0.00 0.00 0.00 61.98 64.23 1pkx s VAL 403 Cb 0.02 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.34 1pkx s VAL 403 CO 0.07 -0.03 0.97 1.33 0.00 0.00 0.00 175.10 177.43 1pkx n VAL 404 N 4.74 0.00 -2.29 2.92 0.24 0.19 -4.97 118.33 119.16 1pkx n VAL 404 Ca 0.11 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.34 61.71 1pkx n VAL 404 Cb 0.47 1.29 0.03 0.00 -1.47 0.00 0.00 33.84 34.15 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 -1.69 3.75 0.27 3.34 -4.23 -1.25 -4.96 115.64 110.87 1pkx s THR 405 Ca 0.17 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 1pkx s THR 405 Cb 0.14 -3.50 0.27 0.00 1.34 0.00 0.00 72.50 70.74 1pkx s THR 405 CO 0.31 -0.55 1.93 0.07 -0.54 0.00 0.00 174.62 175.84 1pkx h LYS 406 N -0.25 1.18 -5.95 3.99 -0.00 -1.93 -3.38 116.57 110.23 1pkx h LYS 406 Ca -0.45 -0.07 -0.58 0.00 -0.00 0.00 0.00 60.65 59.54 1pkx h LYS 406 Cb 1.25 -0.27 -0.07 0.00 -0.00 0.00 0.00 32.23 33.14 1pkx h LYS 406 CO 0.61 0.78 0.53 1.21 -0.00 0.00 0.00 179.45 182.59 1pkx s ASN 407 N -6.13 6.97 0.00 7.07 2.47 -1.26 -4.92 114.94 119.15 1pkx s ASN 407 Ca -0.12 1.21 0.13 0.00 0.42 0.00 0.00 52.86 54.50 1pkx s ASN 407 Cb 0.19 -2.48 -0.10 0.00 -1.45 0.00 0.00 41.25 37.40 1pkx s ASN 407 CO 0.81 -0.51 0.62 0.29 -3.72 0.00 0.00 177.10 174.60 1pkx n LYS 408 N 5.73 2.39 -2.14 0.43 4.76 -1.26 -4.75 118.16 123.33 1pkx n LYS 408 Ca 0.07 -0.21 -0.35 0.00 -2.87 0.00 0.00 58.31 54.95 1pkx n LYS 408 Cb 0.48 -1.15 -0.04 0.00 -1.84 0.00 0.00 35.03 32.48 1pkx n LYS 408 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pkx s ASP 409 N -2.10 5.41 -0.40 4.39 1.01 -1.26 -4.96 116.67 118.77 1pkx s ASP 409 Ca 0.07 -0.18 -0.16 0.00 0.71 0.00 0.00 52.55 52.99 1pkx s ASP 409 Cb 0.10 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.50 1pkx s ASP 409 CO 0.49 -2.37 0.35 -0.22 0.21 0.00 0.00 175.17 173.63 1pkx s LEU 410 N 8.74 4.88 0.72 1.23 2.96 -1.26 -5.07 118.68 130.88 1pkx s LEU 410 Ca 0.63 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 1pkx s LEU 410 Cb -0.09 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.36 1pkx s LEU 410 CO 0.11 -0.46 1.13 -2.65 -1.32 0.00 0.00 176.35 173.17 1pkx n PRO 411 N 5.33 0.61 -0.05 0.98 -0.02 -1.26 -4.77 135.00 135.81 1pkx n PRO 411 Ca -0.10 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1pkx n PRO 411 Cb 0.48 -2.38 0.42 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.19 0.57 -0.08 -0.52 4.39 -1.99 -0.65 114.58 116.11 1pkx h GLU 412 Ca -0.48 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.07 1pkx h GLU 412 Cb 1.33 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1pkx h GLU 412 CO 0.48 0.38 -0.48 0.66 -1.16 0.00 0.00 179.01 178.89 1pkx h SER 413 N 0.59 0.21 -0.13 1.42 4.64 -2.00 -2.15 113.55 116.14 1pkx h SER 413 Ca 0.20 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1pkx h SER 413 Cb 0.07 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1pkx h SER 413 CO -0.05 0.66 -0.16 0.00 -0.87 0.00 0.00 176.83 176.41 1pkx h ALA 414 N 1.34 0.19 -0.54 5.18 0.00 -1.51 -2.54 119.26 121.39 1pkx h ALA 414 Ca 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1pkx h ALA 414 Cb 0.91 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1pkx h ALA 414 CO 0.07 0.09 0.18 1.25 0.00 0.00 0.00 179.25 180.84 1pkx h LEU 415 N -0.06 0.16 0.09 0.00 5.85 -1.23 0.14 115.31 120.26 1pkx h LEU 415 Ca 0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1pkx h LEU 415 Cb 0.71 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1pkx h LEU 415 CO 0.04 0.11 -0.23 -0.09 -0.34 0.00 0.00 178.44 177.92 1pkx h ARG 416 N 0.35 -0.40 -0.39 1.25 2.43 -1.35 -0.95 114.38 115.32 1pkx h ARG 416 Ca 0.27 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1pkx h ARG 416 Cb 0.32 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1pkx h ARG 416 CO -0.29 -0.27 0.01 -0.44 -1.51 0.00 0.00 179.97 177.48 1pkx h ASP 417 N -0.42 0.57 -0.32 -3.80 3.32 -0.98 -1.42 116.42 113.38 1pkx h ASP 417 Ca 0.03 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 1pkx h ASP 417 Cb 0.45 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1pkx h ASP 417 CO -0.15 0.63 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.71 1pkx h LEU 418 N 0.58 0.81 -0.47 1.55 3.38 -0.55 -0.01 115.31 120.60 1pkx h LEU 418 Ca 0.12 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1pkx h LEU 418 Cb 0.35 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1pkx h LEU 418 CO 0.01 1.01 0.11 0.40 0.09 0.00 0.00 178.44 180.06 1pkx h ILE 419 N 0.70 1.24 -0.02 1.22 2.04 -0.64 0.11 117.51 122.15 1pkx h ILE 419 Ca 0.10 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1pkx h ILE 419 Cb 0.74 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1pkx h ILE 419 CO 0.06 0.30 0.01 0.58 0.00 0.00 0.00 178.15 179.10 1pkx h VAL 420 N 0.64 1.09 -0.25 1.67 2.07 -1.08 -1.13 116.25 119.25 1pkx h VAL 420 Ca 0.15 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1pkx h VAL 420 Cb 0.33 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1pkx h VAL 420 CO 0.00 0.07 -0.17 0.00 0.02 0.00 0.00 177.57 177.49 1pkx h ALA 421 N 0.91 1.24 -0.08 1.67 0.00 -0.90 -1.03 119.26 121.07 1pkx h ALA 421 Ca 0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 1pkx h ALA 421 Cb 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pkx h ALA 421 CO -0.00 0.49 -0.79 1.15 0.00 0.00 0.00 179.25 180.11 1pkx h THR 422 N 0.40 1.31 -0.10 0.00 2.02 -0.83 -1.60 112.91 114.11 1pkx h THR 422 Ca 0.07 -2.03 -0.10 0.00 0.77 0.00 0.00 66.41 65.12 1pkx h THR 422 Cb 0.54 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1pkx h THR 422 CO 0.03 0.63 -0.37 0.40 0.37 0.00 0.00 175.52 176.58 1pkx h ILE 423 N 0.35 1.29 -0.02 3.11 2.04 -1.12 -1.99 117.51 121.18 1pkx h ILE 423 Ca -0.07 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 1pkx h ILE 423 Cb 1.43 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1pkx h ILE 423 CO 0.16 0.42 0.01 0.00 0.00 0.00 0.00 178.15 178.73 1pkx h ALA 424 N 1.45 0.02 0.00 1.87 0.00 -1.03 -2.96 119.26 118.61 1pkx h ALA 424 Ca 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1pkx h ALA 424 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1pkx h ALA 424 CO 0.06 -0.40 -0.24 -0.39 0.00 0.00 0.00 179.25 178.28 1pkx h VAL 425 N -0.12 1.00 -0.27 0.00 -1.51 -1.09 -1.67 116.25 112.58 1pkx h VAL 425 Ca 0.01 -0.86 0.02 0.00 -1.23 0.00 0.00 66.70 64.63 1pkx h VAL 425 Cb 0.15 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1pkx h VAL 425 CO -0.00 0.23 0.18 0.50 -1.23 0.00 0.00 177.57 177.25 1pkx h LYS 426 N 0.00 0.31 -0.47 5.19 3.64 -1.20 -2.38 116.57 121.66 1pkx h LYS 426 Ca -0.00 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.14 1pkx h LYS 426 Cb 0.46 -0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.08 1pkx h LYS 426 CO 0.03 0.20 0.06 0.66 -2.27 0.00 0.00 179.45 178.14 1pkx n TYR 427 N -4.50 1.46 -4.84 1.91 4.01 -0.65 -4.79 117.16 109.76 1pkx n TYR 427 Ca 0.02 -1.56 -0.33 0.00 -0.16 0.00 0.00 57.90 55.86 1pkx n TYR 427 Cb 0.11 -0.56 -0.13 0.00 -0.31 0.00 0.00 39.34 38.46 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 -3.21 3.19 0.27 -0.72 2.01 -0.90 -4.20 115.64 112.08 1pkx s THR 428 Ca 0.47 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 1pkx s THR 428 Cb 0.41 -2.26 -0.10 0.00 0.01 0.00 0.00 72.50 70.56 1pkx s THR 428 CO 0.03 0.59 1.48 -1.10 -0.69 0.00 0.00 174.62 174.93 1pkx s GLN 429 N -0.73 4.22 0.57 4.92 -1.52 -1.26 -4.45 119.66 121.41 1pkx s GLN 429 Ca 0.11 2.39 -0.15 0.00 -1.95 0.00 0.00 55.36 55.76 1pkx s GLN 429 Cb -0.11 -3.08 -0.05 0.00 -0.22 0.00 0.00 33.01 29.55 1pkx s GLN 429 CO 0.01 -0.47 1.02 -1.12 -0.25 0.00 0.00 175.29 174.48 1pkx s SER 430 N 0.33 6.18 0.65 5.90 0.01 -0.57 -0.84 113.70 125.36 1pkx s SER 430 Ca 0.60 1.64 -0.11 0.00 1.31 0.00 0.00 55.95 59.39 1pkx s SER 430 Cb -0.44 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.27 1pkx s SER 430 CO 0.46 -0.89 1.04 0.54 0.41 0.00 0.00 173.24 174.80 1pkx s ASN 431 N -3.16 5.87 -0.01 2.44 6.03 -0.44 -3.33 114.94 122.34 1pkx s ASN 431 Ca 0.60 1.24 -0.05 0.00 -1.03 0.00 0.00 52.86 53.62 1pkx s ASN 431 Cb -0.12 -2.19 0.00 0.00 -3.03 0.00 0.00 41.25 35.90 1pkx s ASN 431 CO 0.38 -1.06 0.10 -0.44 -2.03 0.00 0.00 177.10 174.05 1pkx s SER 432 N -4.26 0.01 -0.07 3.54 0.01 -1.26 -2.55 113.70 109.12 1pkx s SER 432 Ca 0.56 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.67 1pkx s SER 432 Cb -0.11 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.34 1pkx s SER 432 CO 0.52 -0.23 0.19 -0.69 0.41 0.00 0.00 173.24 173.43 1pkx s VAL 433 N -0.85 -0.01 -0.02 3.43 1.01 -1.18 -1.31 120.40 121.46 1pkx s VAL 433 Ca -0.09 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1pkx s VAL 433 Cb -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1pkx s VAL 433 CO 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 175.10 175.05 1pkx s TYR 435 N 0.29 3.13 0.05 0.00 1.51 0.11 -1.39 117.35 121.05 1pkx s TYR 435 Ca -0.04 -0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1pkx s TYR 435 Cb -0.08 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1pkx s TYR 435 CO 0.00 0.19 -0.07 0.00 -1.11 0.00 0.00 175.55 174.56 1pkx s ALA 436 N -0.09 0.63 -0.09 3.71 0.00 0.46 -0.14 121.76 126.24 1pkx s ALA 436 Ca 0.04 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 50.86 1pkx s ALA 436 Cb -0.13 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1pkx s ALA 436 CO 0.02 -0.07 0.60 0.21 0.00 0.00 0.00 175.76 176.52 1pkx s LYS 437 N -2.06 0.91 -1.57 0.00 2.20 -0.11 -1.21 119.74 117.90 1pkx s LYS 437 Ca -0.06 0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.79 1pkx s LYS 437 Cb -0.07 0.43 0.09 0.00 -1.51 0.00 0.00 37.83 36.77 1pkx s LYS 437 CO -0.01 -0.24 0.61 0.09 -0.36 0.00 0.00 175.35 175.44 1pkx n ASN 438 N 1.44 -1.97 -0.70 1.43 3.02 -1.26 -1.23 115.26 115.99 1pkx n ASN 438 Ca -0.18 -1.01 -0.09 0.00 -0.03 0.00 0.00 54.58 53.26 1pkx n ASN 438 Cb 0.56 -2.86 -0.04 0.00 -0.61 0.00 0.00 39.78 36.84 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 -1.70 1.07 3.07 7.41 0.00 -1.26 -4.78 105.19 109.00 1pkx n GLY 439 Ca -0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.63 0.51 0.21 1.61 -2.07 -0.36 -1.41 119.66 115.52 1pkx s GLN 440 Ca 0.00 -0.81 -0.30 0.00 -1.82 0.00 0.00 55.36 52.43 1pkx s GLN 440 Cb 0.00 0.19 -0.09 0.00 -1.09 0.00 0.00 33.01 32.02 1pkx s GLN 440 CO 0.00 -0.11 1.34 0.08 -1.32 0.00 0.00 175.29 175.28 1pkx s VAL 441 N -2.56 3.08 0.00 3.63 1.01 -0.02 -0.93 120.40 124.60 1pkx s VAL 441 Ca -0.05 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1pkx s VAL 441 Cb -0.02 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1pkx s VAL 441 CO -0.05 0.13 0.00 2.30 0.00 0.00 0.00 175.10 177.49 1pkx n ILE 442 N 2.59 0.00 -3.65 2.22 -5.35 0.80 -4.65 119.36 111.33 1pkx n ILE 442 Ca 0.06 -0.20 -0.03 0.00 -0.27 0.00 0.00 62.75 62.31 1pkx n ILE 442 Cb 0.42 0.70 -0.05 0.00 -1.74 0.00 0.00 39.64 38.97 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 -1.49 -0.68 -0.01 3.28 0.00 -1.03 -3.60 107.32 103.79 1pkx s GLY 443 Ca 0.00 2.31 0.02 0.00 0.00 0.00 0.00 44.72 47.05 1pkx s GLY 443 CO 0.00 2.84 -0.06 -1.50 0.00 0.00 0.00 173.10 174.37 1pkx s ILE 444 N 2.53 0.51 -0.07 0.90 2.07 -1.26 0.08 121.20 125.95 1pkx s ILE 444 Ca -0.07 -0.27 0.04 0.00 -1.41 0.00 0.00 60.65 58.94 1pkx s ILE 444 Cb -0.10 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 1pkx s ILE 444 CO -0.19 0.15 -0.18 -0.83 -1.91 0.00 0.00 174.94 171.98 1pkx s GLY 445 N -0.09 1.44 0.07 1.50 0.00 -0.60 -4.64 107.32 105.01 1pkx s GLY 445 Ca 0.02 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.79 1pkx s GLY 445 CO -0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 173.10 172.42 1pkx s ALA 446 N -0.22 0.99 -2.13 3.20 0.00 -1.26 -3.10 121.76 119.24 1pkx s ALA 446 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1pkx s ALA 446 Cb -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1pkx s ALA 446 CO 0.03 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1pkx n GLY 447 N 1.20 1.91 3.92 0.00 0.00 -0.02 -4.86 105.19 107.33 1pkx n GLY 447 Ca -0.21 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.72 1.99 0.00 1.61 -1.52 -1.17 -4.48 119.66 112.38 1pkx s GLN 448 Ca 0.00 -0.14 0.00 0.00 -1.95 0.00 0.00 55.36 53.27 1pkx s GLN 448 Cb 0.00 -2.06 0.00 0.00 -0.22 0.00 0.00 33.01 30.73 1pkx s GLN 448 CO 0.00 -1.46 0.81 1.04 -0.25 0.00 0.00 175.29 175.43 1pkx n GLN 449 N -3.13 1.82 -3.75 2.91 6.02 -1.26 -1.33 117.38 118.66 1pkx n GLN 449 Ca 0.09 -1.14 -0.13 0.00 -0.01 0.00 0.00 57.00 55.81 1pkx n GLN 449 Cb 0.61 -0.90 -0.13 0.00 1.02 0.00 0.00 30.24 30.83 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 -0.66 -0.23 0.08 1.08 0.15 -1.26 -5.08 113.70 107.79 1pkx s SER 450 Ca 0.00 0.46 -0.25 0.00 0.70 0.00 0.00 55.95 56.86 1pkx s SER 450 Cb 0.00 0.39 -0.16 0.00 -1.71 0.00 0.00 66.02 64.54 1pkx s SER 450 CO 0.00 -0.14 1.71 -0.09 1.20 0.00 0.00 173.24 175.92 1pkx h ARG 451 N 6.78 -0.18 -0.42 5.44 9.65 -1.96 -1.94 114.38 131.76 1pkx h ARG 451 Ca -0.36 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.51 1pkx h ARG 451 Cb 1.17 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.77 1pkx h ARG 451 CO 0.38 -0.11 0.19 0.97 2.80 0.00 0.00 179.97 184.20 1pkx h ILE 452 N -0.20 1.15 -0.77 1.20 6.09 -1.98 -1.10 117.51 121.90 1pkx h ILE 452 Ca -0.02 -0.43 -0.01 0.00 -1.37 0.00 0.00 64.86 63.03 1pkx h ILE 452 Cb 0.15 0.62 -0.04 0.00 0.47 0.00 0.00 36.82 38.03 1pkx h ILE 452 CO 0.03 0.17 0.42 0.45 -3.07 0.00 0.00 178.15 176.16 1pkx h HIS 453 N 0.59 1.05 -0.09 2.19 3.86 -1.91 -1.21 115.15 119.62 1pkx h HIS 453 Ca 0.15 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.23 1pkx h HIS 453 Cb 0.08 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1pkx h HIS 453 CO 0.00 0.73 -0.36 0.00 0.86 0.00 0.00 177.93 179.16 1pkx h THR 455 N -0.04 1.05 -0.25 0.00 2.02 -1.04 0.25 112.91 114.89 1pkx h THR 455 Ca -0.02 -0.37 -0.12 0.00 0.77 0.00 0.00 66.41 66.67 1pkx h THR 455 Cb 1.00 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1pkx h THR 455 CO 0.08 0.20 -0.32 0.03 0.37 0.00 0.00 175.52 175.88 1pkx h ARG 456 N 1.08 0.66 -0.10 6.66 3.08 -1.16 -1.36 114.38 123.24 1pkx h ARG 456 Ca 0.43 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1pkx h ARG 456 Cb 0.25 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1pkx h ARG 456 CO -0.18 0.98 0.07 1.25 -1.07 0.00 0.00 179.97 181.02 1pkx h LEU 457 N 0.38 0.12 -0.71 3.04 6.46 -0.43 -0.44 115.31 123.72 1pkx h LEU 457 Ca 0.03 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.69 1pkx h LEU 457 Cb 0.89 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.77 1pkx h LEU 457 CO 0.08 0.09 -0.02 0.00 -0.62 0.00 0.00 178.44 177.96 1pkx h ALA 458 N 1.03 0.92 -0.83 1.25 0.00 -1.00 -2.54 119.26 118.08 1pkx h ALA 458 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1pkx h ALA 458 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1pkx h ALA 458 CO -0.01 0.64 0.40 0.78 0.00 0.00 0.00 179.25 181.07 1pkx h GLY 459 N 0.99 1.28 0.95 0.00 0.00 -0.96 -0.64 103.07 104.68 1pkx h GLY 459 Ca 0.16 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1pkx h GLY 459 CO 0.03 0.60 0.13 -0.55 0.00 0.00 0.00 176.54 176.76 1pkx h ASP 460 N 1.18 0.30 -1.00 0.19 3.32 -0.87 -0.69 116.42 118.86 1pkx h ASP 460 Ca 0.29 -0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.32 1pkx h ASP 460 Cb 0.11 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 1pkx h ASP 460 CO -0.04 0.30 0.64 0.11 -1.72 0.00 0.00 179.24 178.53 1pkx h LYS 461 N 0.28 1.14 -0.64 3.56 1.57 -1.03 -0.45 116.57 121.01 1pkx h LYS 461 Ca 0.09 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1pkx h LYS 461 Cb 0.06 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1pkx h LYS 461 CO -0.01 0.76 0.40 0.00 -0.57 0.00 0.00 179.45 180.02 1pkx h ALA 462 N 1.45 0.83 -0.50 3.86 0.00 -0.47 -1.29 119.26 123.13 1pkx h ALA 462 Ca 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1pkx h ALA 462 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1pkx h ALA 462 CO -0.17 0.16 0.18 -0.91 0.00 0.00 0.00 179.25 178.51 1pkx h ASN 463 N 0.79 0.72 -0.98 0.00 2.35 0.32 -1.79 115.58 116.98 1pkx h ASN 463 Ca 0.25 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1pkx h ASN 463 Cb 0.00 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.14 1pkx h ASN 463 CO -0.10 0.71 0.64 1.88 -1.65 0.00 0.00 177.43 178.92 1pkx h TYR 464 N 0.68 1.23 -0.68 1.19 0.99 -0.68 0.39 116.97 120.09 1pkx h TYR 464 Ca 0.16 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.85 1pkx h TYR 464 Cb 0.24 -0.42 -0.03 0.00 1.00 0.00 0.00 36.73 37.53 1pkx h TYR 464 CO 0.01 0.78 0.15 2.35 -0.00 0.00 0.00 178.16 181.45 1pkx h TRP 465 N 1.33 1.14 -0.26 4.88 7.01 -1.01 -2.30 115.95 126.74 1pkx h TRP 465 Ca 0.36 -0.14 -0.10 0.00 2.11 0.00 0.00 58.89 61.12 1pkx h TRP 465 Cb -0.15 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.59 1pkx h TRP 465 CO 0.00 0.94 -0.24 2.35 -2.79 0.00 0.00 178.44 178.70 1pkx h TRP 466 N 1.03 0.73 -0.01 2.65 -0.00 -0.38 -2.95 115.95 117.02 1pkx h TRP 466 Ca 0.21 -0.22 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1pkx h TRP 466 Cb 0.38 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 29.38 1pkx h TRP 466 CO 0.03 0.92 0.03 -0.07 -0.00 0.00 0.00 178.44 179.35 1pkx h LEU 467 N 0.33 0.00 0.00 0.65 3.38 -0.08 0.13 115.31 119.73 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 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1pkx h LEU 467 CO 0.06 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.13 1pkx n ARG 468 N -3.46 0.34 0.00 1.13 1.74 -0.88 -2.26 116.66 113.27 1pkx n ARG 468 Ca -0.03 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 1pkx n ARG 468 Cb 0.11 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.00 -1.78 -1.55 8.25 0.47 -4.61 115.22 114.70 1pkx n HIS 469 Ca 0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 1pkx n HIS 469 Cb 0.20 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 1pkx n HIS 469 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1pkx s HIS 470 N -2.40 2.66 0.30 4.41 5.04 -0.96 -4.79 115.29 119.57 1pkx s HIS 470 Ca 0.22 0.95 0.07 0.00 -1.54 0.00 0.00 55.06 54.76 1pkx s HIS 470 Cb 0.19 -4.06 0.81 0.00 0.04 0.00 0.00 32.58 29.56 1pkx s HIS 470 CO 0.51 -3.35 1.71 -1.35 -2.34 0.00 0.00 174.74 169.92 1pkx h PRO 471 N 3.99 0.47 0.00 2.88 0.11 -1.93 0.20 132.00 137.72 1pkx h PRO 471 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1pkx h PRO 471 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pkx h PRO 471 CO 0.72 0.31 0.00 1.96 -0.21 0.00 0.00 178.00 180.78 1pkx h GLN 472 N 0.48 0.00 0.05 1.05 4.20 -1.95 -0.60 115.11 118.34 1pkx h GLN 472 Ca 0.60 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 59.04 1pkx h GLN 472 Cb 1.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 1pkx h GLN 472 CO -0.51 0.00 -1.46 0.28 -0.67 0.00 0.00 178.83 176.48 1pkx h VAL 473 N 0.00 0.87 0.00 -0.54 2.07 -0.97 -3.30 116.25 114.39 1pkx h VAL 473 Ca 0.00 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 1pkx h VAL 473 Cb 0.36 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1pkx h VAL 473 CO 0.00 0.55 -0.08 -0.07 0.02 0.00 0.00 177.57 177.98 1pkx h LEU 474 N -0.59 0.00 -0.47 2.57 3.38 -1.12 -2.48 115.31 116.59 1pkx h LEU 474 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1pkx h LEU 474 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1pkx h LEU 474 CO -0.08 0.08 -0.27 -1.54 0.09 0.00 0.00 178.44 176.72 1pkx n SER 475 N -3.84 1.00 -4.40 -0.43 3.41 -0.25 -4.95 113.62 104.17 1pkx n SER 475 Ca -0.02 -0.86 -0.32 0.00 -0.26 0.00 0.00 58.87 57.40 1pkx n SER 475 Cb 0.18 0.14 0.16 0.00 -0.26 0.00 0.00 64.21 64.43 1pkx n SER 475 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1pkx n MET 476 N -0.69 -1.04 -3.30 4.33 2.81 -0.94 -5.01 117.12 113.29 1pkx n MET 476 Ca 0.12 -0.27 -0.09 0.00 -1.81 0.00 0.00 57.70 55.65 1pkx n MET 476 Cb 0.35 -1.90 -0.06 0.00 -0.71 0.00 0.00 33.22 30.91 1pkx n MET 476 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1pkx s LYS 477 N -3.77 0.43 0.96 0.03 -2.85 -1.26 -5.09 119.74 108.19 1pkx s LYS 477 Ca 0.59 0.12 -0.15 0.00 -1.00 0.00 0.00 55.97 55.53 1pkx s LYS 477 Cb -0.19 -0.29 0.18 0.00 -2.06 0.00 0.00 37.83 35.47 1pkx s LYS 477 CO 0.66 -1.04 1.22 -0.06 0.10 0.00 0.00 175.35 176.22 1pkx s PHE 478 N 2.53 1.89 0.01 1.78 0.40 -1.26 -0.39 117.98 122.94 1pkx s PHE 478 Ca 0.10 0.55 -0.19 0.00 -0.60 0.00 0.00 56.93 56.79 1pkx s PHE 478 Cb -0.12 -3.72 -0.06 0.00 0.51 0.00 0.00 43.02 39.63 1pkx s PHE 478 CO -0.29 -2.61 0.55 -1.59 0.70 0.00 0.00 175.22 171.97 1pkx s LYS 479 N -5.61 4.23 0.37 0.44 0.00 0.99 -4.32 119.74 115.84 1pkx s LYS 479 Ca 0.69 0.66 0.13 0.00 0.00 0.00 0.00 55.97 57.45 1pkx s LYS 479 Cb -0.09 -3.30 0.46 0.00 0.00 0.00 0.00 37.83 34.89 1pkx s LYS 479 CO 0.53 0.47 0.75 0.25 0.00 0.00 0.00 175.35 177.35 1pkx n THR 480 N 2.39 0.00 -0.65 3.79 -2.24 -1.26 -2.07 114.28 114.24 1pkx n THR 480 Ca -0.09 0.73 0.09 0.00 -2.27 0.00 0.00 64.05 62.51 1pkx n THR 480 Cb 0.51 -1.33 0.33 0.00 -2.10 0.00 0.00 70.33 67.74 1pkx n THR 480 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkx n GLY 481 N -1.30 2.94 0.00 3.38 0.00 -1.26 -5.19 105.19 103.77 1pkx n GLY 481 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1pkx n GLY 481 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pkx n VAL 482 N 0.82 0.00 0.00 1.61 0.24 -0.88 -5.04 118.33 115.08 1pkx n VAL 482 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 1pkx n VAL 482 Cb 0.87 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 1pkx n VAL 482 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pkx n ALA 485 N -3.00 0.00 0.06 2.33 0.00 -1.26 -4.67 120.51 113.97 1pkx n ALA 485 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1pkx n ALA 485 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1pkx n ALA 485 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1pkx h GLU 486 N 0.00 0.35 -0.74 0.00 -0.00 -2.02 -3.01 114.58 109.16 1pkx h GLU 486 Ca 0.00 -0.28 0.16 0.00 -0.00 0.00 0.00 59.36 59.25 1pkx h GLU 486 Cb 0.00 0.05 -0.11 0.00 -0.00 0.00 0.00 28.75 28.69 1pkx h GLU 486 CO 0.00 0.91 0.19 0.82 -0.00 0.00 0.00 179.01 180.93 1pkx h ILE 487 N 0.24 0.51 -0.98 -1.06 2.04 -2.00 -0.43 117.51 115.83 1pkx h ILE 487 Ca -0.02 -0.09 0.15 0.00 1.00 0.00 0.00 64.86 65.90 1pkx h ILE 487 Cb 1.26 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 37.45 1pkx h ILE 487 CO 0.12 0.05 0.60 -1.28 0.00 0.00 0.00 178.15 177.64 1pkx h SER 488 N 0.28 0.82 -0.10 1.72 0.87 -1.96 -2.16 113.55 113.02 1pkx h SER 488 Ca 0.42 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.99 1pkx h SER 488 Cb 0.72 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1pkx h SER 488 CO -0.51 0.36 -0.20 0.78 -0.53 0.00 0.00 176.83 176.73 1pkx h ASN 489 N 0.85 0.34 -0.92 6.23 2.35 -1.20 -3.00 115.58 120.23 1pkx h ASN 489 Ca 0.53 -0.56 0.10 0.00 -0.55 0.00 0.00 56.30 55.82 1pkx h ASN 489 Cb 0.69 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.89 1pkx h ASN 489 CO -0.33 0.84 0.56 0.00 -1.65 0.00 0.00 177.43 176.85 1pkx h ALA 490 N 0.51 1.34 -0.30 -0.83 0.00 -1.11 -2.53 119.26 116.34 1pkx h ALA 490 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1pkx h ALA 490 Cb 0.79 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pkx h ALA 490 CO 0.04 0.19 0.07 0.82 0.00 0.00 0.00 179.25 180.38 1pkx h ILE 491 N 0.92 1.22 -0.91 0.00 2.04 -1.43 -1.53 117.51 117.82 1pkx h ILE 491 Ca 0.44 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1pkx h ILE 491 Cb 0.39 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1pkx h ILE 491 CO -0.25 0.24 0.59 -0.78 0.00 0.00 0.00 178.15 177.95 1pkx h ASP 492 N 0.32 1.06 -0.37 1.72 1.82 -1.32 -0.97 116.42 118.69 1pkx h ASP 492 Ca 0.09 -0.04 -0.10 0.00 -0.39 0.00 0.00 57.03 56.59 1pkx h ASP 492 Cb 0.29 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 1pkx h ASP 492 CO 0.00 0.78 -0.13 1.56 -1.61 0.00 0.00 179.24 179.85 1pkx h GLN 493 N 1.24 0.82 0.57 0.28 4.20 -1.30 0.12 115.11 121.05 1pkx h GLN 493 Ca 0.33 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1pkx h GLN 493 Cb -0.12 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.61 1pkx h GLN 493 CO -0.07 0.90 -0.28 -0.92 -0.67 0.00 0.00 178.83 177.80 1pkx h TYR 494 N 0.73 -0.71 -0.05 2.96 3.20 -0.35 0.38 116.97 123.14 1pkx h TYR 494 Ca 0.12 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1pkx h TYR 494 Cb 0.63 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1pkx h TYR 494 CO 0.03 -0.41 -0.40 -0.39 -1.64 0.00 0.00 178.16 175.36 1pkx h VAL 495 N -0.86 1.30 -0.01 1.81 -1.51 -1.18 -3.01 116.25 112.79 1pkx h VAL 495 Ca -0.08 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 1pkx h VAL 495 Cb 0.62 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1pkx h VAL 495 CO 0.13 0.41 -0.26 0.35 -1.23 0.00 0.00 177.57 176.97 1pkx n THR 496 N -4.05 0.00 -3.07 7.19 -2.24 0.02 -4.96 114.28 107.17 1pkx n THR 496 Ca -0.02 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1pkx n THR 496 Cb 0.45 0.40 0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.34 -0.12 1.05 3.38 0.00 -0.06 -4.96 105.19 105.82 1pkx n GLY 497 Ca 0.12 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.46 0.95 -0.15 2.61 -2.24 -0.12 -4.81 114.28 107.05 1pkx n THR 498 Ca -0.16 -1.90 -0.11 0.00 -2.27 0.00 0.00 64.05 59.61 1pkx n THR 498 Cb 0.60 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 4.37 1.27 0.00 2.28 2.04 -1.93 -3.46 117.51 122.07 1pkx h ILE 499 Ca -0.12 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1pkx h ILE 499 Cb 1.49 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1pkx h ILE 499 CO 0.05 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.20 1pkx n GLY 500 N -0.29 -1.49 3.36 5.37 0.00 -1.26 -4.50 105.19 106.38 1pkx n GLY 500 Ca -0.00 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 43.78 1pkx n GLY 500 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pkx s GLU 501 N 0.00 1.75 7.95 1.61 -1.05 -1.26 -4.39 118.70 123.31 1pkx s GLU 501 Ca 0.00 -1.86 0.00 0.00 -0.15 0.00 0.00 54.97 52.96 1pkx s GLU 501 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1pkx s GLU 501 CO 0.00 -0.67 0.00 -0.25 0.95 0.00 0.00 175.26 175.29 1pkx n ASP 502 N -1.33 0.00 0.04 0.83 8.00 -1.26 -2.11 116.55 120.73 1pkx n ASP 502 Ca 0.04 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.67 1pkx n ASP 502 Cb 0.62 0.00 0.60 0.00 -0.02 0.00 0.00 41.12 42.32 1pkx n ASP 502 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1pkx h GLU 503 N 0.00 0.17 0.15 -1.24 9.09 -2.00 -2.52 114.58 118.22 1pkx h GLU 503 Ca 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 1pkx h GLU 503 Cb 0.00 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.06 1pkx h GLU 503 CO 0.00 0.11 -0.07 -0.44 0.05 0.00 0.00 179.01 178.66 1pkx h ASP 504 N 0.17 -0.17 -0.41 3.06 3.32 -1.75 -2.47 116.42 118.18 1pkx h ASP 504 Ca 0.19 -0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1pkx h ASP 504 Cb 0.52 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 1pkx h ASP 504 CO -0.03 0.11 0.04 -0.07 -1.72 0.00 0.00 179.24 177.57 1pkx h LEU 505 N -0.45 -0.09 -0.64 1.55 3.38 -1.56 0.01 115.31 117.50 1pkx h LEU 505 Ca -0.02 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1pkx h LEU 505 Cb 0.36 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1pkx h LEU 505 CO 0.03 -0.01 0.24 0.40 0.09 0.00 0.00 178.44 179.20 1pkx h ILE 506 N 0.15 0.75 -0.36 1.22 2.04 -1.39 0.82 117.51 120.74 1pkx h ILE 506 Ca 0.20 -0.14 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 1pkx h ILE 506 Cb 0.27 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1pkx h ILE 506 CO -0.30 0.08 -0.30 0.11 0.00 0.00 0.00 178.15 177.74 1pkx h LYS 507 N 0.42 0.83 -0.16 2.37 1.57 -0.93 -2.17 116.57 118.51 1pkx h LYS 507 Ca 0.33 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1pkx h LYS 507 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1pkx h LYS 507 CO -0.33 1.06 0.04 2.35 -0.57 0.00 0.00 179.45 182.00 1pkx h TRP 508 N 0.62 0.26 -0.05 -1.35 7.01 -0.02 -2.90 115.95 119.52 1pkx h TRP 508 Ca 0.06 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1pkx h TRP 508 Cb 0.88 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 1pkx h TRP 508 CO 0.06 0.39 -0.09 0.87 -2.79 0.00 0.00 178.44 176.88 1pkx h LYS 509 N 0.06 0.08 0.00 2.65 1.79 0.62 -2.44 116.57 119.34 1pkx h LYS 509 Ca 0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1pkx h LYS 509 Cb 0.26 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1pkx h LYS 509 CO 0.00 0.18 0.00 0.00 -1.08 0.00 0.00 179.45 178.55 1pkx n ALA 510 N -2.51 2.20 0.82 3.86 0.00 -0.82 -3.32 120.51 120.75 1pkx n ALA 510 Ca -0.02 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1pkx n ALA 510 Cb 0.20 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1pkx n ALA 510 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pkx n LEU 511 N -0.76 0.73 -4.76 0.00 4.77 -0.92 -4.92 117.00 111.14 1pkx n LEU 511 Ca 0.08 -0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.59 1pkx n LEU 511 Cb 0.04 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1pkx n LEU 511 CO 0.06 0.15 -0.23 -0.36 -1.33 0.00 0.00 177.39 175.69 1pkx s PHE 512 N -3.09 2.97 -1.81 -1.77 0.40 -1.21 -0.00 117.98 113.48 1pkx s PHE 512 Ca 0.06 -0.14 0.13 0.00 -0.60 0.00 0.00 56.93 56.38 1pkx s PHE 512 Cb 0.16 -1.34 0.42 0.00 0.51 0.00 0.00 43.02 42.77 1pkx s PHE 512 CO 0.82 0.55 1.33 -0.85 0.70 0.00 0.00 175.22 177.77 1pkx n GLU 513 N -1.03 2.24 -3.19 0.44 0.00 0.48 -4.65 120.64 114.93 1pkx n GLU 513 Ca -0.07 -1.68 0.05 0.00 0.00 0.00 0.00 57.16 55.45 1pkx n GLU 513 Cb 0.58 -1.44 -0.02 0.00 0.00 0.00 0.00 31.44 30.56 1pkx n GLU 513 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1pkx s GLU 514 N -1.48 0.16 -0.09 3.44 4.04 -1.26 -5.06 118.70 118.45 1pkx s GLU 514 Ca 0.31 0.32 -0.29 0.00 0.04 0.00 0.00 54.97 55.35 1pkx s GLU 514 Cb 0.17 0.18 -0.06 0.00 0.02 0.00 0.00 34.13 34.44 1pkx s GLU 514 CO 0.19 -0.15 1.90 0.08 -1.84 0.00 0.00 175.26 175.45 1pkx s VAL 515 N 2.78 3.25 0.32 1.83 1.01 -1.26 -4.72 120.40 123.60 1pkx s VAL 515 Ca -0.02 0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.98 1pkx s VAL 515 Cb -0.08 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1pkx s VAL 515 CO -0.12 -0.07 0.95 -2.16 0.00 0.00 0.00 175.10 173.70 1pkx s PRO 516 N 4.86 4.58 0.14 2.72 0.04 -1.26 -5.01 135.00 141.08 1pkx s PRO 516 Ca 0.85 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 1pkx s PRO 516 Cb -0.35 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.30 1pkx s PRO 516 CO 0.36 0.27 0.98 -1.83 0.04 0.00 0.00 177.00 176.81 1pkx s GLU 517 N -2.01 4.71 0.96 4.56 1.03 -1.26 -5.02 118.70 121.67 1pkx s GLU 517 Ca 0.50 1.49 -0.11 0.00 0.03 0.00 0.00 54.97 56.88 1pkx s GLU 517 Cb -0.19 -3.35 0.17 0.00 -0.80 0.00 0.00 34.13 29.96 1pkx s GLU 517 CO 0.25 0.25 1.10 -0.51 -1.33 0.00 0.00 175.26 175.01 1pkx s LEU 518 N -0.25 2.18 -0.08 1.83 1.43 -1.26 -4.99 118.68 117.55 1pkx s LEU 518 Ca 0.46 1.79 -0.14 0.00 -1.03 0.00 0.00 54.13 55.22 1pkx s LEU 518 Cb -0.25 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 1pkx s LEU 518 CO 0.31 -3.16 0.35 -0.76 0.23 0.00 0.00 176.35 173.32 1pkx s LEU 519 N -6.59 4.37 0.70 1.79 1.43 -1.26 -5.07 118.68 114.05 1pkx s LEU 519 Ca 0.66 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.40 1pkx s LEU 519 Cb -0.21 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.54 1pkx s LEU 519 CO 0.59 0.23 1.07 0.42 0.23 0.00 0.00 176.35 178.89 1pkx s THR 520 N -0.42 3.86 0.56 5.49 -4.23 -1.26 -4.81 115.64 114.83 1pkx s THR 520 Ca 0.21 0.64 0.25 0.00 -1.18 0.00 0.00 61.69 61.61 1pkx s THR 520 Cb -0.15 -3.30 0.34 0.00 1.34 0.00 0.00 72.50 70.73 1pkx s THR 520 CO 0.09 -0.76 2.14 -0.33 -0.54 0.00 0.00 174.62 175.22 1pkx h GLU 521 N -0.66 0.00 -0.03 3.99 4.39 -1.99 -0.02 114.58 120.27 1pkx h GLU 521 Ca -0.44 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.03 1pkx h GLU 521 Cb 1.22 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1pkx h GLU 521 CO 0.56 0.00 -0.91 0.00 -1.16 0.00 0.00 179.01 177.49 1pkx h ALA 522 N 1.88 0.35 -0.32 3.43 0.00 -1.99 -2.46 119.26 120.16 1pkx h ALA 522 Ca 0.07 -0.68 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 1pkx h ALA 522 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pkx h ALA 522 CO -0.00 0.77 -0.45 0.93 0.00 0.00 0.00 179.25 180.50 1pkx h GLU 523 N 0.30 0.84 0.09 0.00 5.08 -1.42 -2.22 114.58 117.24 1pkx h GLU 523 Ca -0.08 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1pkx h GLU 523 Cb 1.54 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1pkx h GLU 523 CO 0.16 1.11 -0.04 0.87 -1.00 0.00 0.00 179.01 180.11 1pkx h LYS 524 N 0.67 -0.11 0.00 2.33 1.57 -1.12 -0.90 116.57 119.01 1pkx h LYS 524 Ca 0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1pkx h LYS 524 Cb 1.03 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1pkx h LYS 524 CO 0.10 0.05 0.00 0.87 -0.57 0.00 0.00 179.45 179.90 1pkx h LYS 525 N -0.26 0.00 0.25 3.15 1.57 -1.46 -1.32 116.57 118.50 1pkx h LYS 525 Ca -0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 1pkx h LYS 525 Cb 0.22 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.57 1pkx h LYS 525 CO 0.02 0.00 -1.49 1.49 -0.57 0.00 0.00 179.45 178.90 1pkx h GLU 526 N 0.00 0.53 -0.33 3.15 4.81 -0.87 -2.95 114.58 118.93 1pkx h GLU 526 Ca 0.00 -0.91 -0.15 0.00 -0.13 0.00 0.00 59.36 58.16 1pkx h GLU 526 Cb 0.28 0.34 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 1pkx h GLU 526 CO 0.00 1.44 -0.39 2.35 -0.73 0.00 0.00 179.01 181.68 1pkx h TRP 527 N 0.15 1.03 -0.20 0.92 2.91 -0.50 -3.10 115.95 117.16 1pkx h TRP 527 Ca -0.26 -0.32 -0.01 0.00 1.13 0.00 0.00 58.89 59.42 1pkx h TRP 527 Cb 2.17 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 30.60 1pkx h TRP 527 CO 0.13 1.13 0.06 0.28 -1.03 0.00 0.00 178.44 179.00 1pkx h VAL 528 N 0.63 1.10 -0.00 2.65 2.07 -1.35 -0.64 116.25 120.70 1pkx h VAL 528 Ca 0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1pkx h VAL 528 Cb 0.99 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1pkx h VAL 528 CO 0.09 0.12 0.01 -0.33 0.02 0.00 0.00 177.57 177.48 1pkx h GLU 529 N 0.28 0.00 0.00 1.57 5.08 -1.43 0.46 114.58 120.54 1pkx h GLU 529 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1pkx h GLU 529 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1pkx h GLU 529 CO -0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1pkx n LYS 530 N -3.74 0.21 -2.08 2.33 5.02 -0.25 -4.78 118.16 114.87 1pkx n LYS 530 Ca -0.03 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 1pkx n LYS 530 Cb 0.09 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 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 -4.21 4.31 0.23 -0.35 2.96 0.15 -4.98 118.68 116.79 1pkx s LEU 531 Ca 0.11 2.20 0.02 0.00 -0.22 0.00 0.00 54.13 56.24 1pkx s LEU 531 Cb 0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 1pkx s LEU 531 CO 0.57 -0.86 0.05 0.42 -1.32 0.00 0.00 176.35 175.21 1pkx s THR 532 N 3.40 0.74 -1.24 3.68 -4.23 -1.26 -3.66 115.64 113.07 1pkx s THR 532 Ca 0.70 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 59.02 1pkx s THR 532 Cb -0.33 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.07 1pkx s THR 532 CO 0.28 -0.20 0.64 -0.62 -0.54 0.00 0.00 174.62 174.18 1pkx n GLU 533 N -0.41 -1.45 -4.14 3.99 1.02 -0.95 -4.94 120.64 113.76 1pkx n GLU 533 Ca -0.03 0.33 -0.32 0.00 -0.02 0.00 0.00 57.16 57.13 1pkx n GLU 533 Cb 0.65 -3.81 -0.07 0.00 -0.02 0.00 0.00 31.44 28.19 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 -3.64 4.45 0.08 2.62 1.01 -0.06 -4.82 120.40 120.04 1pkx s VAL 534 Ca 0.35 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1pkx s VAL 534 Cb -0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1pkx s VAL 534 CO 0.90 0.28 -0.08 -0.44 0.00 0.00 0.00 175.10 175.75 1pkx s SER 535 N -1.91 4.51 0.00 3.32 0.01 -0.35 -0.16 113.70 119.12 1pkx s SER 535 Ca 0.24 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.23 1pkx s SER 535 Cb -0.12 -0.93 -0.01 0.00 0.21 0.00 0.00 66.02 65.17 1pkx s SER 535 CO 0.15 0.20 -0.14 -0.63 0.41 0.00 0.00 173.24 173.23 1pkx s ILE 536 N -1.17 1.14 -0.05 1.44 1.01 -0.23 -0.41 121.20 122.93 1pkx s ILE 536 Ca 0.21 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1pkx s ILE 536 Cb -0.11 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.40 1pkx s ILE 536 CO 0.13 0.24 -0.09 -0.55 0.00 0.00 0.00 174.94 174.67 1pkx s SER 537 N -0.55 1.35 -0.08 3.58 0.15 -0.49 -0.92 113.70 116.74 1pkx s SER 537 Ca 0.05 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.49 1pkx s SER 537 Cb -0.06 -0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 1pkx s SER 537 CO -0.00 0.01 -0.09 -0.55 1.20 0.00 0.00 173.24 173.81 1pkx s SER 538 N 0.63 4.47 0.00 5.45 0.15 -0.80 -1.25 113.70 122.35 1pkx s SER 538 Ca -0.11 -0.10 0.25 0.00 0.70 0.00 0.00 55.95 56.69 1pkx s SER 538 Cb -0.14 -1.21 1.40 0.00 -1.71 0.00 0.00 66.02 64.37 1pkx s SER 538 CO 0.02 0.32 1.86 -0.90 1.20 0.00 0.00 173.24 175.74 1pkx n ASP 539 N 2.50 0.00 -3.83 5.45 3.85 -0.43 -4.38 116.55 119.71 1pkx n ASP 539 Ca -0.18 -0.46 -0.09 0.00 -0.71 0.00 0.00 54.79 53.35 1pkx n ASP 539 Cb 0.53 -0.13 -0.04 0.00 -1.35 0.00 0.00 41.12 40.12 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 -2.26 -0.73 0.78 2.12 0.00 -1.26 -0.98 121.76 119.42 1pkx s ALA 540 Ca 0.32 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 1pkx s ALA 540 Cb 0.17 0.90 0.06 0.00 0.00 0.00 0.00 23.12 24.26 1pkx s ALA 540 CO 0.33 -0.83 1.20 -0.59 0.00 0.00 0.00 175.76 175.87 1pkx s PHE 541 N -3.92 1.94 -0.32 0.00 -0.12 -1.25 -4.47 117.98 109.84 1pkx s PHE 541 Ca 0.13 1.64 -0.21 0.00 -0.05 0.00 0.00 56.93 58.44 1pkx s PHE 541 Cb -0.01 -3.45 -0.00 0.00 -0.63 0.00 0.00 43.02 38.93 1pkx s PHE 541 CO 0.01 -2.68 0.68 -0.06 -0.05 0.00 0.00 175.22 173.12 1pkx s PHE 542 N -2.14 3.18 0.19 3.49 0.08 -1.26 -4.95 117.98 116.58 1pkx s PHE 542 Ca 0.73 0.57 -0.10 0.00 0.12 0.00 0.00 56.93 58.25 1pkx s PHE 542 Cb -0.28 -3.12 0.10 0.00 -0.57 0.00 0.00 43.02 39.16 1pkx s PHE 542 CO 0.49 -0.56 1.72 -1.35 -0.10 0.00 0.00 175.22 175.42 1pkx h PRO 543 N 8.27 1.06 -4.52 0.24 0.11 -1.97 -3.45 132.00 131.74 1pkx h PRO 543 Ca -0.26 -0.23 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 1pkx h PRO 543 Cb 1.11 -0.15 -0.15 0.00 0.11 0.00 0.00 31.00 31.92 1pkx h PRO 543 CO 0.84 0.92 -0.60 -0.06 -0.21 0.00 0.00 178.00 178.89 1pkx s PHE 544 N -5.39 1.07 -1.18 0.65 0.08 -1.26 -4.44 117.98 107.51 1pkx s PHE 544 Ca -0.12 -1.32 0.15 0.00 0.12 0.00 0.00 56.93 55.75 1pkx s PHE 544 Cb 0.14 -0.51 0.67 0.00 -0.57 0.00 0.00 43.02 42.75 1pkx s PHE 544 CO 0.83 -0.63 1.44 2.89 -0.10 0.00 0.00 175.22 179.65 1pkx n ARG 545 N -0.24 0.09 0.09 0.44 1.85 -1.26 -3.00 116.66 114.63 1pkx n ARG 545 Ca 0.00 0.21 0.09 0.00 -1.00 0.00 0.00 57.85 57.15 1pkx n ARG 545 Cb 0.65 -1.50 0.56 0.00 -1.05 0.00 0.00 32.46 31.12 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 0.21 -0.77 2.89 3.04 -1.99 -0.07 116.42 119.72 1pkx h ASP 546 Ca 0.00 -0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 1pkx h ASP 546 Cb 0.20 -0.05 -0.03 0.00 -1.04 0.00 0.00 39.33 38.41 1pkx h ASP 546 CO 0.00 0.14 0.30 0.78 -2.04 0.00 0.00 179.24 178.42 1pkx h ASN 547 N 0.24 1.08 -0.25 4.15 2.35 -1.93 -1.15 115.58 120.06 1pkx h ASN 547 Ca 0.13 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1pkx h ASN 547 Cb 0.22 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1pkx h ASN 547 CO -0.02 0.96 -0.26 0.58 -1.65 0.00 0.00 177.43 177.04 1pkx h VAL 548 N 1.13 1.31 -0.68 2.81 2.07 -1.30 -1.73 116.25 119.86 1pkx h VAL 548 Ca 0.26 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.39 1pkx h VAL 548 Cb 0.23 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1pkx h VAL 548 CO -0.02 0.45 0.41 0.44 0.02 0.00 0.00 177.57 178.87 1pkx h ASP 549 N 0.33 0.65 -0.22 0.57 3.32 -0.91 -1.39 116.42 118.77 1pkx h ASP 549 Ca 0.04 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1pkx h ASP 549 Cb 0.82 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1pkx h ASP 549 CO 0.06 0.44 0.04 -0.09 -1.72 0.00 0.00 179.24 177.98 1pkx h ARG 550 N 0.79 0.36 -0.58 3.56 9.65 -1.13 -2.96 114.38 124.06 1pkx h ARG 550 Ca 0.29 -0.09 0.08 0.00 -1.10 0.00 0.00 59.98 59.15 1pkx h ARG 550 Cb 0.08 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.55 1pkx h ARG 550 CO -0.13 0.49 0.24 0.00 2.80 0.00 0.00 179.97 183.37 1pkx h ALA 551 N 0.86 0.75 -0.91 2.80 0.00 -1.01 -1.76 119.26 119.98 1pkx h ALA 551 Ca 0.07 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.22 1pkx h ALA 551 Cb 0.30 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1pkx h ALA 551 CO 0.00 -0.15 0.49 -0.22 0.00 0.00 0.00 179.25 179.37 1pkx h LYS 552 N 0.45 0.61 0.00 0.00 1.63 -1.10 0.43 116.57 118.59 1pkx h LYS 552 Ca 0.28 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1pkx h LYS 552 Cb 0.30 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1pkx h LYS 552 CO -0.26 0.40 0.00 2.89 -3.45 0.00 0.00 179.45 179.03 1pkx n ARG 553 N -4.87 0.64 -1.25 1.90 1.85 -0.66 -2.50 116.66 111.76 1pkx n ARG 553 Ca 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 57.04 1pkx n ARG 553 Cb 0.53 -1.36 0.12 0.00 -1.05 0.00 0.00 32.46 30.70 1pkx n ARG 553 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1pkx n SER 554 N -0.86 2.20 -0.08 2.89 7.64 0.13 -4.84 113.62 120.70 1pkx n SER 554 Ca 0.11 -3.33 -0.01 0.00 1.01 0.00 0.00 58.87 56.65 1pkx n SER 554 Cb 0.05 -0.44 -0.00 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.66 0.38 3.71 0.23 0.00 -1.04 -4.82 105.19 102.99 1pkx n GLY 555 Ca 0.20 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.66 3.48 -0.04 1.61 1.01 -1.15 -0.88 120.40 122.77 1pkx s VAL 556 Ca 0.00 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.06 1pkx s VAL 556 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1pkx s VAL 556 CO 0.00 0.07 0.09 0.00 0.00 0.00 0.00 175.10 175.26 1pkx n ALA 557 N 4.13 2.20 -2.96 5.51 0.00 0.78 -4.60 120.51 125.57 1pkx n ALA 557 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1pkx n ALA 557 Cb 0.43 -0.11 -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 -1.97 0.30 -0.01 0.00 1.51 -1.17 -1.66 117.35 114.35 1pkx s TYR 558 Ca -0.01 -0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1pkx s TYR 558 Cb 0.02 -0.23 -0.01 0.00 -0.11 0.00 0.00 41.96 41.63 1pkx s TYR 558 CO 0.14 -0.03 -0.08 0.42 -1.11 0.00 0.00 175.55 174.89 1pkx s ILE 559 N 0.12 0.63 -0.05 2.71 1.01 -0.29 -1.06 121.20 124.27 1pkx s ILE 559 Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1pkx s ILE 559 Cb -0.04 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.91 1pkx s ILE 559 CO -0.00 0.18 -0.10 0.00 0.00 0.00 0.00 174.94 175.01 1pkx s ALA 560 N -0.15 1.08 0.04 9.38 0.00 -0.10 -0.73 121.76 131.28 1pkx s ALA 560 Ca 0.03 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 1pkx s ALA 560 Cb -0.03 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.68 1pkx s ALA 560 CO -0.00 0.11 0.68 0.00 0.00 0.00 0.00 175.76 176.55 1pkx s ALA 561 N 0.56 -1.71 0.61 0.00 0.00 -0.93 -1.91 121.76 118.38 1pkx s ALA 561 Ca -0.11 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 1pkx s ALA 561 Cb -0.14 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1pkx s ALA 561 CO 0.02 -0.58 1.19 -2.14 0.00 0.00 0.00 175.76 174.26 1pkx s PRO 562 N -2.54 2.89 0.00 0.00 0.02 -1.26 -1.35 135.00 132.76 1pkx s PRO 562 Ca -0.03 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1pkx s PRO 562 Cb -0.01 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1pkx s PRO 562 CO -0.03 -1.26 0.00 -1.13 -0.33 0.00 0.00 177.00 174.26 1pkx n SER 563 N -1.78 0.00 0.00 2.53 3.41 -0.35 -3.85 113.62 113.58 1pkx n SER 563 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1pkx n SER 563 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1pkx n SER 563 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pkx n GLY 564 N 5.00 1.37 3.80 5.00 0.00 -1.26 -4.62 105.19 114.47 1pkx n GLY 564 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 5.06 0.04 1.61 1.04 -1.26 -5.00 113.70 113.20 1pkx s SER 565 Ca 0.00 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 1pkx s SER 565 Cb 0.00 -0.92 -0.27 0.00 0.10 0.00 0.00 66.02 64.92 1pkx s SER 565 CO 0.00 -0.29 1.00 0.00 0.98 0.00 0.00 173.24 174.93 1pkx h ALA 566 N 1.41 0.23 -0.04 5.32 0.00 -1.93 -3.15 119.26 121.09 1pkx h ALA 566 Ca -0.45 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.45 1pkx h ALA 566 Cb 1.25 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1pkx h ALA 566 CO 0.60 1.10 0.00 0.00 0.00 0.00 0.00 179.25 180.95 1pkx n ALA 567 N -2.58 2.55 -0.24 0.00 0.00 -1.26 -4.00 120.51 114.98 1pkx n ALA 567 Ca -0.12 -0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.19 1pkx n ALA 567 Cb 1.03 -1.15 0.09 0.00 0.00 0.00 0.00 19.45 19.42 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 0.35 -0.56 -0.53 0.00 5.19 -1.85 0.20 116.42 119.21 1pkx h ASP 568 Ca 0.00 0.20 0.09 0.00 -0.62 0.00 0.00 57.03 56.70 1pkx h ASP 568 Cb 0.08 0.40 -0.07 0.00 0.18 0.00 0.00 39.33 39.92 1pkx h ASP 568 CO 0.00 -0.21 0.13 0.11 -3.12 0.00 0.00 179.24 176.14 1pkx h LYS 569 N 0.03 0.26 -0.16 3.56 6.56 -1.85 0.12 116.57 125.09 1pkx h LYS 569 Ca 0.35 -0.02 -0.17 0.00 -1.06 0.00 0.00 60.65 59.75 1pkx h LYS 569 Cb 0.56 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1pkx h LYS 569 CO -0.69 0.17 -0.61 0.28 -2.06 0.00 0.00 179.45 176.54 1pkx h VAL 570 N 0.27 1.33 -0.36 0.50 2.07 -1.22 -1.79 116.25 117.05 1pkx h VAL 570 Ca 0.27 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 65.86 1pkx h VAL 570 Cb 0.36 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1pkx h VAL 570 CO -0.33 0.58 0.07 0.58 0.02 0.00 0.00 177.57 178.49 1pkx h VAL 571 N 0.40 1.23 -0.71 2.57 2.07 -0.24 0.16 116.25 121.73 1pkx h VAL 571 Ca -0.01 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.74 1pkx h VAL 571 Cb 1.16 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1pkx h VAL 571 CO 0.11 0.27 0.45 0.40 0.02 0.00 0.00 177.57 178.83 1pkx h ILE 572 N 0.44 1.11 -0.63 4.57 2.04 -0.70 -1.37 117.51 122.97 1pkx h ILE 572 Ca 0.11 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1pkx h ILE 572 Cb 0.33 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1pkx h ILE 572 CO 0.00 0.16 0.24 -0.33 0.00 0.00 0.00 178.15 178.23 1pkx h GLU 573 N 0.89 0.92 -0.49 2.37 5.08 -0.95 -1.43 114.58 120.96 1pkx h GLU 573 Ca 0.28 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1pkx h GLU 573 Cb -0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1pkx h GLU 573 CO -0.10 0.76 0.01 0.00 -1.00 0.00 0.00 179.01 178.68 1pkx h ALA 574 N 1.36 0.66 -0.65 3.43 0.00 -0.30 -0.09 119.26 123.67 1pkx h ALA 574 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1pkx h ALA 574 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1pkx h ALA 574 CO -0.02 0.46 0.23 0.00 0.00 0.00 0.00 179.25 179.93 1pkx h ASP 576 N 0.94 0.86 -0.88 0.00 3.32 -1.14 0.22 116.42 119.73 1pkx h ASP 576 Ca 0.21 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1pkx h ASP 576 Cb 0.26 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1pkx h ASP 576 CO -0.01 0.84 0.48 -0.08 -1.72 0.00 0.00 179.24 178.74 1pkx h GLU 577 N 0.83 1.23 -0.15 3.56 4.81 -0.41 -3.02 114.58 121.44 1pkx h GLU 577 Ca 0.19 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1pkx h GLU 577 Cb 0.29 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1pkx h GLU 577 CO -0.01 0.90 0.00 1.28 -0.73 0.00 0.00 179.01 180.46 1pkx n LEU 578 N -4.33 2.20 -0.37 1.64 4.77 0.42 -4.93 117.00 116.40 1pkx n LEU 578 Ca 0.09 -0.86 -0.03 0.00 -0.03 0.00 0.00 56.01 55.18 1pkx n LEU 578 Cb 0.10 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1pkx n LEU 578 CO 0.39 0.43 -0.04 0.61 -1.33 0.00 0.00 177.39 177.44 1pkx n GLY 579 N 1.25 0.31 3.61 -0.72 0.00 -0.75 -5.03 105.19 103.87 1pkx n GLY 579 Ca 0.17 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.16 4.21 -0.12 -0.61 1.01 0.70 -4.94 121.20 119.28 1pkx s ILE 580 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 1pkx s ILE 580 Cb 0.00 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1pkx s ILE 580 CO 0.00 0.55 0.65 -0.63 0.00 0.00 0.00 174.94 175.51 1pkx s ILE 581 N -0.34 5.05 -0.16 2.92 1.01 -0.67 -4.17 121.20 124.85 1pkx s ILE 581 Ca 0.07 1.30 0.01 0.00 0.00 0.00 0.00 60.65 62.03 1pkx s ILE 581 Cb -0.12 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.37 1pkx s ILE 581 CO 0.02 0.20 -0.19 -0.22 0.00 0.00 0.00 174.94 174.75 1pkx s LEU 582 N 1.24 2.26 -0.29 2.97 2.96 -1.26 -1.13 118.68 125.42 1pkx s LEU 582 Ca 0.33 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1pkx s LEU 582 Cb -0.17 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.02 1pkx s LEU 582 CO 0.14 0.06 0.09 0.00 -1.32 0.00 0.00 176.35 175.32 1pkx s ALA 583 N 0.93 3.12 -0.15 5.97 0.00 0.09 -0.64 121.76 131.08 1pkx s ALA 583 Ca -0.04 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 1pkx s ALA 583 Cb -0.15 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1pkx s ALA 583 CO -0.03 -0.86 0.25 -1.01 0.00 0.00 0.00 175.76 174.10 1pkx s HIS 584 N 1.54 3.48 0.50 0.00 3.76 -0.83 -2.18 115.29 121.56 1pkx s HIS 584 Ca 0.04 0.56 0.04 0.00 -0.15 0.00 0.00 55.06 55.54 1pkx s HIS 584 Cb -0.17 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.26 1pkx s HIS 584 CO 0.03 0.33 0.16 0.95 -0.85 0.00 0.00 174.74 175.36 1pkx s THR 585 N 0.17 1.54 -0.18 1.30 -4.23 -0.46 -4.56 115.64 109.23 1pkx s THR 585 Ca 0.15 -1.79 0.14 0.00 -1.18 0.00 0.00 61.69 59.01 1pkx s THR 585 Cb -0.13 -2.34 0.37 0.00 1.34 0.00 0.00 72.50 71.75 1pkx s THR 585 CO 0.03 0.00 1.19 -3.20 -0.54 0.00 0.00 174.62 172.11 1pkx n ASN 586 N -1.40 1.93 -4.03 3.99 4.05 -1.26 -1.22 115.26 117.32 1pkx n ASN 586 Ca -0.10 -3.59 -0.33 0.00 0.45 0.00 0.00 54.58 51.01 1pkx n ASN 586 Cb 0.66 -0.49 -0.13 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 -3.07 4.81 0.29 1.20 2.96 -1.26 -5.06 118.68 118.54 1pkx s LEU 587 Ca 0.36 -2.54 -0.28 0.00 -0.22 0.00 0.00 54.13 51.45 1pkx s LEU 587 Cb 0.34 -1.72 -0.09 0.00 0.50 0.00 0.00 46.19 45.21 1pkx s LEU 587 CO -0.03 -0.36 0.95 -0.60 -1.32 0.00 0.00 176.35 174.98 1pkx s ARG 588 N 0.38 4.70 -0.36 1.98 3.52 -1.26 -4.68 118.95 123.22 1pkx s ARG 588 Ca 0.14 1.42 0.08 0.00 -0.13 0.00 0.00 55.73 57.23 1pkx s ARG 588 Cb -0.22 -3.02 0.44 0.00 -1.56 0.00 0.00 34.95 30.60 1pkx s ARG 588 CO -0.04 0.37 1.13 1.28 -0.81 0.00 0.00 175.30 177.24 1pkx n LEU 589 N 0.97 4.44 -4.75 -0.88 4.77 -0.15 -5.05 117.00 116.35 1pkx n LEU 589 Ca 0.00 -4.81 -0.36 0.00 -0.03 0.00 0.00 56.01 50.81 1pkx n LEU 589 Cb 0.49 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1pkx n LEU 589 CO 0.47 2.08 0.84 -0.36 -1.33 0.00 0.00 177.39 179.09 1pkx s PHE 590 N -3.56 2.30 -0.20 -1.77 0.08 -1.26 -4.61 117.98 108.97 1pkx s PHE 590 Ca 0.47 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 58.96 1pkx s PHE 590 Cb 0.40 -3.51 0.08 0.00 -0.57 0.00 0.00 43.02 39.43 1pkx s PHE 590 CO -0.07 -2.37 0.43 -1.58 -0.10 0.00 0.00 175.22 171.53 1pkx s HIS 591 N -1.63 -0.77 0.00 0.36 5.65 -1.26 -5.01 115.29 112.63 1pkx s HIS 591 Ca 0.78 1.50 0.00 0.00 0.25 0.00 0.00 55.06 57.59 1pkx s HIS 591 Cb -0.31 0.32 0.00 0.00 -1.18 0.00 0.00 32.58 31.41 1pkx s HIS 591 CO 0.36 -0.45 0.00 0.72 -0.65 0.00 0.00 174.74 174.72