#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pvj s ALA 32 N 0.00 2.77 -0.16 4.37 0.00 -1.26 0.16 121.76 127.64 1pvj s ALA 32 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.39 1pvj s ALA 32 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1pvj s ALA 32 CO 0.00 -0.72 -0.19 0.50 0.00 0.00 0.00 175.76 175.35 1pvj s ARG 33 N -3.95 2.75 0.11 0.00 3.52 0.12 -4.66 118.95 116.85 1pvj s ARG 33 Ca 0.64 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 55.57 1pvj s ARG 33 Cb -0.16 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 1pvj s ARG 33 CO 0.34 -0.16 -0.08 -0.80 -0.81 0.00 0.00 175.30 173.79 1pvj s ASN 34 N 1.21 4.47 0.00 -2.12 0.01 -1.26 -4.51 114.94 112.74 1pvj s ASN 34 Ca 0.01 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 1pvj s ASN 34 Cb -0.14 -0.88 0.00 0.00 0.41 0.00 0.00 41.25 40.65 1pvj s ASN 34 CO -0.09 0.16 0.00 1.21 -1.51 0.00 0.00 177.10 176.88 1pvj n GLU 35 N 0.57 0.00 -0.27 -0.60 0.00 -1.26 0.16 120.64 119.24 1pvj n GLU 35 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.06 1pvj n GLU 35 Cb 0.53 0.00 0.10 0.00 0.00 0.00 0.00 31.44 32.07 1pvj n GLU 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1pvj h LYS 36 N 0.00 0.01 0.30 5.31 5.09 -1.98 0.25 116.57 125.54 1pvj h LYS 36 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1pvj h LYS 36 Cb 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1pvj h LYS 36 CO 0.00 0.01 -0.15 1.05 -2.09 0.00 0.00 179.45 178.27 1pvj h GLU 37 N 0.01 -0.39 -0.02 0.07 -0.00 0.11 0.57 114.58 114.93 1pvj h GLU 37 Ca 0.38 0.03 0.03 0.00 -0.00 0.00 0.00 59.36 59.80 1pvj h GLU 37 Cb 0.59 0.09 -0.04 0.00 -0.00 0.00 0.00 28.75 29.39 1pvj h GLU 37 CO -0.79 -0.26 -0.24 0.00 -0.00 0.00 0.00 179.01 177.73 1pvj h ALA 38 N 0.30 -0.30 -0.88 1.06 0.00 -0.92 0.48 119.26 119.01 1pvj h ALA 38 Ca -0.04 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.08 1pvj h ALA 38 Cb 0.31 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 1pvj h ALA 38 CO 0.06 -0.73 0.38 -0.22 0.00 0.00 0.00 179.25 178.74 1pvj h LYS 39 N -0.36 0.40 -0.16 0.00 3.64 -0.36 0.36 116.57 120.08 1pvj h LYS 39 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1pvj h LYS 39 Cb 0.45 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1pvj h LYS 39 CO -0.23 0.26 -0.01 0.22 -2.27 0.00 0.00 179.45 177.43 1pvj h ASP 40 N 0.41 0.29 -0.95 4.20 1.82 0.15 -2.42 116.42 119.92 1pvj h ASP 40 Ca 0.54 -0.33 0.20 0.00 -0.39 0.00 0.00 57.03 57.06 1pvj h ASP 40 Cb 0.99 -0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.85 1pvj h ASP 40 CO -0.51 0.54 0.61 0.28 -1.61 0.00 0.00 179.24 178.56 1pvj h SER 41 N 0.03 0.53 0.27 2.28 0.02 0.36 0.72 113.55 117.76 1pvj h SER 41 Ca 0.04 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1pvj h SER 41 Cb 0.40 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1pvj h SER 41 CO 0.01 0.20 -0.13 0.00 -1.14 0.00 0.00 176.83 175.77 1pvj h ALA 42 N 1.62 -1.01 -0.80 3.77 0.00 -0.26 -0.65 119.26 121.93 1pvj h ALA 42 Ca 0.51 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.52 1pvj h ALA 42 Cb 1.12 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1pvj h ALA 42 CO -0.25 -0.98 0.26 0.82 0.00 0.00 0.00 179.25 179.10 1pvj h ILE 43 N -0.39 0.50 -0.03 0.00 2.04 -0.98 0.37 117.51 119.02 1pvj h ILE 43 Ca -0.04 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1pvj h ILE 43 Cb 0.28 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 1pvj h ILE 43 CO 0.06 0.06 -0.18 0.74 0.00 0.00 0.00 178.15 178.83 1pvj h THR 44 N 0.32 0.56 -0.52 -0.27 2.02 -0.87 0.99 112.91 115.15 1pvj h THR 44 Ca 0.47 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.71 1pvj h THR 44 Cb 0.83 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 1pvj h THR 44 CO -0.52 0.00 0.21 0.15 0.37 0.00 0.00 175.52 175.73 1pvj h PHE 45 N -0.28 0.38 0.88 3.16 3.57 0.11 1.05 116.94 125.81 1pvj h PHE 45 Ca 0.06 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1pvj h PHE 45 Cb 0.36 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.02 1pvj h PHE 45 CO -0.24 0.14 -0.42 0.82 -2.23 0.00 0.00 178.31 176.38 1pvj h ILE 46 N 0.41 0.05 -0.85 1.41 2.04 0.37 -3.09 117.51 117.84 1pvj h ILE 46 Ca 0.25 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 66.10 1pvj h ILE 46 Cb 0.24 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 1pvj h ILE 46 CO -0.23 0.00 0.50 1.56 0.00 0.00 0.00 178.15 179.98 1pvj h GLN 47 N -1.28 0.80 0.00 2.37 4.20 0.14 -3.51 115.11 117.83 1pvj h GLN 47 Ca -0.12 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1pvj h GLN 47 Cb 0.91 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1pvj h GLN 47 CO 0.20 0.53 0.00 1.63 -0.67 0.00 0.00 178.83 180.52 1pvj n LYS 48 N -4.73 0.00 0.00 1.46 4.76 0.36 -5.07 118.16 114.95 1pvj n LYS 48 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1pvj n LYS 48 Cb 0.29 -0.98 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1pvj n LYS 48 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1pvj n ILE 62 N -0.22 0.00 -5.08 -0.18 -6.64 -1.26 -4.97 119.36 101.01 1pvj n ILE 62 Ca 0.00 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.69 1pvj n ILE 62 Cb 0.00 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.04 1pvj n ILE 62 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 1pvj s LYS 63 N -4.73 2.06 -0.18 6.28 2.20 -1.26 -5.08 119.74 119.03 1pvj s LYS 63 Ca 0.00 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 1pvj s LYS 63 Cb 0.00 -1.83 0.02 0.00 -1.51 0.00 0.00 37.83 34.51 1pvj s LYS 63 CO 0.00 0.37 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.67 1pvj s LEU 64 N -0.22 2.14 -0.21 5.43 1.43 -1.26 -1.58 118.68 124.40 1pvj s LEU 64 Ca 0.00 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1pvj s LEU 64 Cb -0.11 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1pvj s LEU 64 CO 0.02 -0.03 0.17 -1.81 0.23 0.00 0.00 176.35 174.93 1pvj s ASP 65 N 1.32 6.20 0.39 2.29 -0.00 -0.31 -4.90 116.67 121.65 1pvj s ASP 65 Ca 0.04 0.22 -0.25 0.00 -0.00 0.00 0.00 52.55 52.56 1pvj s ASP 65 Cb -0.14 -2.11 -0.09 0.00 -0.00 0.00 0.00 42.92 40.59 1pvj s ASP 65 CO -0.12 0.11 1.11 -0.75 -0.00 0.00 0.00 175.17 175.53 1pvj s LYS 66 N 0.71 4.17 -0.09 8.23 2.20 -1.26 -0.30 119.74 133.39 1pvj s LYS 66 Ca 0.09 1.70 -0.09 0.00 -0.36 0.00 0.00 55.97 57.32 1pvj s LYS 66 Cb -0.12 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 1pvj s LYS 66 CO 0.02 -0.18 0.20 0.08 -0.36 0.00 0.00 175.35 175.10 1pvj s VAL 67 N -1.48 5.40 -0.35 4.02 1.01 0.12 -4.86 120.40 124.26 1pvj s VAL 67 Ca 0.56 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 1pvj s VAL 67 Cb -0.27 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1pvj s VAL 67 CO 0.34 0.61 0.21 0.54 0.00 0.00 0.00 175.10 176.80 1pvj s ASN 68 N -1.02 5.79 0.28 3.32 6.03 -1.26 -4.66 114.94 123.42 1pvj s ASN 68 Ca 0.17 -0.66 0.10 0.00 -1.03 0.00 0.00 52.86 51.44 1pvj s ASN 68 Cb -0.13 -2.06 -0.05 0.00 -3.03 0.00 0.00 41.25 35.98 1pvj s ASN 68 CO 0.06 -0.28 -0.03 -0.76 -2.03 0.00 0.00 177.10 174.06 1pvj s LEU 69 N 1.64 3.07 0.00 3.54 1.43 -1.26 -4.94 118.68 122.15 1pvj s LEU 69 Ca 0.04 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1pvj s LEU 69 Cb -0.18 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1pvj s LEU 69 CO 0.08 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1pvj n GLY 70 N -0.86 2.78 0.00 -3.19 0.00 -1.26 -4.49 105.19 98.16 1pvj n GLY 70 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1pvj n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvj n GLY 71 N 3.46 0.00 0.25 -0.02 0.00 -1.26 0.76 105.19 108.38 1pvj n GLY 71 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1pvj n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pvj h GLU 72 N 0.00 0.29 -0.54 1.61 -0.00 -1.99 -2.17 114.58 111.77 1pvj h GLU 72 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 1pvj h GLU 72 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.71 1pvj h GLU 72 CO 0.00 0.38 0.00 1.28 -0.00 0.00 0.00 179.01 180.67 1pvj n LEU 73 N -4.30 0.54 -4.82 3.06 4.77 0.16 -4.82 117.00 111.59 1pvj n LEU 73 Ca -0.00 -0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 1pvj n LEU 73 Cb 0.24 -0.27 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 1pvj n LEU 73 CO 0.38 0.13 0.73 -0.94 -1.33 0.00 0.00 177.39 176.36 1pvj s SER 74 N -0.47 4.13 0.00 -1.43 1.04 0.23 -4.55 113.70 112.65 1pvj s SER 74 Ca 0.00 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1pvj s SER 74 Cb 0.00 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1pvj s SER 74 CO 0.00 -2.17 0.00 0.61 0.98 0.00 0.00 173.24 172.66 1pvj n GLY 75 N -2.45 -1.80 2.40 7.32 0.00 -1.26 -4.73 105.19 104.68 1pvj n GLY 75 Ca 0.07 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 1pvj n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pvj n SER 76 N 0.17 2.10 0.13 1.61 3.41 -1.26 -4.72 113.62 115.06 1pvj n SER 76 Ca 0.00 -2.41 0.13 0.00 -0.26 0.00 0.00 58.87 56.33 1pvj n SER 76 Cb 0.00 -0.43 0.41 0.00 -0.26 0.00 0.00 64.21 63.93 1pvj n SER 76 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1pvj h ASN 77 N 2.23 0.00 -5.02 4.04 2.35 -1.89 -3.39 115.58 113.90 1pvj h ASN 77 Ca -0.05 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1pvj h ASN 77 Cb 1.40 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.59 1pvj h ASN 77 CO 0.27 0.00 -0.18 -0.32 -1.65 0.00 0.00 177.43 175.54 1pvj s MET 78 N -3.18 0.81 0.04 0.81 0.00 -1.26 -0.52 119.30 115.99 1pvj s MET 78 Ca 0.09 -0.29 0.04 0.00 0.00 0.00 0.00 55.69 55.53 1pvj s MET 78 Cb 0.11 0.36 -0.02 0.00 0.00 0.00 0.00 34.83 35.28 1pvj s MET 78 CO 0.56 -0.25 -0.11 0.71 0.00 0.00 0.00 175.02 175.93 1pvj s TYR 79 N -1.96 0.95 -0.07 4.11 1.51 0.43 -4.84 117.35 117.48 1pvj s TYR 79 Ca -0.09 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1pvj s TYR 79 Cb -0.02 -0.56 0.02 0.00 -0.11 0.00 0.00 41.96 41.28 1pvj s TYR 79 CO 0.01 -0.00 -0.09 0.08 -1.11 0.00 0.00 175.55 174.43 1pvj s VAL 80 N -0.96 0.97 -0.12 0.71 1.01 -1.26 0.84 120.40 121.59 1pvj s VAL 80 Ca -0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1pvj s VAL 80 Cb -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1pvj s VAL 80 CO 0.01 0.33 -0.09 -0.31 0.00 0.00 0.00 175.10 175.03 1pvj s TYR 81 N 0.94 1.61 -0.18 5.22 1.51 -0.73 0.10 117.35 125.83 1pvj s TYR 81 Ca -0.10 -0.81 -0.25 0.00 -1.01 0.00 0.00 57.07 54.90 1pvj s TYR 81 Cb -0.15 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1pvj s TYR 81 CO 0.01 -0.52 0.84 -0.80 -1.11 0.00 0.00 175.55 173.96 1pvj s ASN 82 N 1.57 6.95 0.04 2.29 0.01 0.60 -1.95 114.94 124.44 1pvj s ASN 82 Ca 0.03 1.17 -0.30 0.00 -0.71 0.00 0.00 52.86 53.04 1pvj s ASN 82 Cb -0.13 -2.46 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 1pvj s ASN 82 CO -0.08 -0.42 1.16 -0.63 -1.51 0.00 0.00 177.10 175.62 1pvj s ILE 83 N 2.27 4.19 0.35 0.60 1.01 0.13 -1.16 121.20 128.59 1pvj s ILE 83 Ca 0.38 1.57 0.06 0.00 0.00 0.00 0.00 60.65 62.66 1pvj s ILE 83 Cb -0.16 -4.01 0.17 0.00 0.01 0.00 0.00 42.46 38.47 1pvj s ILE 83 CO 0.12 0.11 1.90 0.77 0.00 0.00 0.00 174.94 177.84 1pvj h SER 84 N 6.84 0.44 1.29 3.58 4.64 -1.57 -1.65 113.55 127.11 1pvj h SER 84 Ca -0.41 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1pvj h SER 84 Cb 1.21 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1pvj h SER 84 CO 0.80 0.51 0.00 0.35 -0.87 0.00 0.00 176.83 177.62 1pvj n THR 85 N -4.30 0.63 0.00 2.95 -2.24 -1.26 -4.95 114.28 105.11 1pvj n THR 85 Ca 0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1pvj n THR 85 Cb 0.23 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1pvj n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pvj n GLY 86 N 1.01 4.88 0.00 3.38 0.00 -0.62 -4.99 105.19 108.85 1pvj n GLY 86 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1pvj n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvj n GLY 87 N -1.98 0.17 3.59 -0.02 0.00 0.17 -4.48 105.19 102.63 1pvj n GLY 87 Ca 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1pvj n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pvj s PHE 88 N -1.11 -0.39 -0.05 1.61 -0.12 0.35 0.18 117.98 118.45 1pvj s PHE 88 Ca 0.00 0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 56.95 1pvj s PHE 88 Cb 0.00 0.61 0.04 0.00 -0.63 0.00 0.00 43.02 43.04 1pvj s PHE 88 CO 0.00 -0.96 0.12 0.08 -0.05 0.00 0.00 175.22 174.41 1pvj s VAL 89 N -3.74 -0.05 -0.20 -2.49 1.01 -0.82 -0.89 120.40 113.21 1pvj s VAL 89 Ca 0.05 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 1pvj s VAL 89 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1pvj s VAL 89 CO -0.05 0.08 0.02 -0.63 0.00 0.00 0.00 175.10 174.51 1pvj s ILE 90 N 1.16 4.10 -0.08 2.22 1.01 0.17 -1.77 121.20 128.02 1pvj s ILE 90 Ca -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1pvj s ILE 90 Cb -0.12 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1pvj s ILE 90 CO -0.05 0.42 -0.11 -0.69 0.00 0.00 0.00 174.94 174.50 1pvj s VAL 91 N 1.01 3.29 0.43 2.92 1.01 0.25 -1.96 120.40 127.35 1pvj s VAL 91 Ca 0.02 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 1pvj s VAL 91 Cb -0.14 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 1pvj s VAL 91 CO 0.02 0.57 1.12 -0.94 0.00 0.00 0.00 175.10 175.87 1pvj s SER 92 N -0.44 6.43 -0.15 3.32 1.04 -0.89 0.16 113.70 123.17 1pvj s SER 92 Ca 0.06 2.20 0.16 0.00 0.48 0.00 0.00 55.95 58.85 1pvj s SER 92 Cb -0.12 -2.60 0.70 0.00 0.10 0.00 0.00 66.02 64.10 1pvj s SER 92 CO 0.02 -0.73 1.61 0.61 0.98 0.00 0.00 173.24 175.73 1pvj n GLY 93 N 0.41 3.03 3.02 7.32 0.00 0.32 -4.75 105.19 114.54 1pvj n GLY 93 Ca 0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 1pvj n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pvj s ASP 94 N -1.05 -0.36 0.55 1.61 -1.08 -1.26 0.16 116.67 115.24 1pvj s ASP 94 Ca 0.49 0.51 0.06 0.00 -0.52 0.00 0.00 52.55 53.09 1pvj s ASP 94 Cb 0.34 1.51 0.30 0.00 -1.46 0.00 0.00 42.92 43.61 1pvj s ASP 94 CO 0.19 -0.28 1.10 0.11 0.52 0.00 0.00 175.17 176.81 1pvj h LYS 95 N 8.12 0.00 -0.00 4.34 1.57 -0.55 0.36 116.57 130.41 1pvj h LYS 95 Ca -0.20 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.42 1pvj h LYS 95 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1pvj h LYS 95 CO 0.26 0.00 -0.72 0.00 -0.57 0.00 0.00 179.45 178.42 1pvj h ARG 96 N 0.00 0.01 -6.95 3.15 3.08 -1.83 -1.80 114.38 110.04 1pvj h ARG 96 Ca 0.00 -0.01 -0.48 0.00 0.07 0.00 0.00 59.98 59.56 1pvj h ARG 96 Cb 1.56 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.65 1pvj h ARG 96 CO 0.00 0.73 0.09 -1.12 -1.07 0.00 0.00 179.97 178.59 1pvj s SER 97 N -6.82 5.92 0.59 7.04 0.01 0.13 -3.81 113.70 116.76 1pvj s SER 97 Ca -0.01 0.71 -0.19 0.00 1.31 0.00 0.00 55.95 57.77 1pvj s SER 97 Cb 0.12 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 1pvj s SER 97 CO 0.78 -0.78 1.20 -2.16 0.41 0.00 0.00 173.24 172.69 1pvj s PRO 98 N -4.79 3.03 0.01 12.44 0.04 -1.26 -4.62 135.00 139.85 1pvj s PRO 98 Ca 0.50 1.80 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 1pvj s PRO 98 Cb -0.10 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 1pvj s PRO 98 CO 0.43 -1.16 1.05 1.49 0.04 0.00 0.00 177.00 178.86 1pvj h GLU 99 N 0.94 -0.77 -4.66 4.56 4.81 -1.92 -3.38 114.58 114.15 1pvj h GLU 99 Ca -0.50 0.05 -0.69 0.00 -0.13 0.00 0.00 59.36 58.09 1pvj h GLU 99 Cb 1.29 0.18 -0.20 0.00 0.63 0.00 0.00 28.75 30.65 1pvj h GLU 99 CO 0.55 -0.52 -0.47 0.42 -0.73 0.00 0.00 179.01 178.27 1pvj s ILE 100 N -4.32 5.22 -0.12 2.32 -1.09 -1.26 -2.09 121.20 119.87 1pvj s ILE 100 Ca -0.12 -0.36 0.16 0.00 -2.23 0.00 0.00 60.65 58.10 1pvj s ILE 100 Cb 0.01 -3.75 -0.11 0.00 -1.58 0.00 0.00 42.46 37.03 1pvj s ILE 100 CO 0.35 -0.09 0.91 -0.07 -1.23 0.00 0.00 174.94 174.81 1pvj h LEU 101 N 8.52 0.00 -7.00 2.97 3.38 -1.64 -3.48 115.31 118.06 1pvj h LEU 101 Ca -0.30 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.90 1pvj h LEU 101 Cb 1.15 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.65 1pvj h LEU 101 CO 0.66 0.59 0.87 -0.83 0.09 0.00 0.00 178.44 179.82 1pvj s GLY 102 N -4.76 -0.06 0.24 0.83 0.00 -1.23 -1.70 107.32 100.64 1pvj s GLY 102 Ca -0.02 2.41 -0.22 0.00 0.00 0.00 0.00 44.72 46.89 1pvj s GLY 102 CO 0.80 0.95 0.69 -2.52 0.00 0.00 0.00 173.10 173.03 1pvj s TYR 103 N -1.37 -0.29 -0.24 1.90 -0.85 0.43 0.46 117.35 117.38 1pvj s TYR 103 Ca 0.08 -0.09 -0.13 0.00 -0.52 0.00 0.00 57.07 56.41 1pvj s TYR 103 Cb -0.01 0.66 0.07 0.00 0.38 0.00 0.00 41.96 43.07 1pvj s TYR 103 CO -0.05 -1.11 0.59 0.45 -1.52 0.00 0.00 175.55 173.91 1pvj s SER 104 N -2.87 -0.80 0.33 -0.18 0.15 -0.07 -0.61 113.70 109.66 1pvj s SER 104 Ca 0.08 1.30 0.02 0.00 0.70 0.00 0.00 55.95 58.05 1pvj s SER 104 Cb -0.04 1.20 0.57 0.00 -1.71 0.00 0.00 66.02 66.04 1pvj s SER 104 CO 0.01 -0.22 1.95 0.71 1.20 0.00 0.00 173.24 176.89 1pvj h THR 105 N 5.23 1.18 -4.42 6.45 1.35 -1.90 0.10 112.91 120.89 1pvj h THR 105 Ca -0.32 -0.46 -0.38 0.00 -0.55 0.00 0.00 66.41 64.70 1pvj h THR 105 Cb 1.21 0.40 -0.08 0.00 -1.73 0.00 0.00 68.15 67.95 1pvj h THR 105 CO 0.20 0.20 -0.29 -1.54 -0.25 0.00 0.00 175.52 173.84 1pvj n SER 106 N -4.39 2.03 0.00 5.36 3.41 -1.26 -3.02 113.62 115.76 1pvj n SER 106 Ca 0.05 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1pvj n SER 106 Cb 0.10 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1pvj n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pvj n GLY 107 N 0.84 0.27 3.77 5.00 0.00 -1.26 -3.55 105.19 110.26 1pvj n GLY 107 Ca -0.09 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1pvj n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pvj s SER 108 N -4.00 -0.32 -0.01 1.61 1.04 -1.26 0.44 113.70 111.20 1pvj s SER 108 Ca 0.00 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1pvj s SER 108 Cb 0.00 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.78 1pvj s SER 108 CO 0.00 -1.26 -0.10 0.12 0.98 0.00 0.00 173.24 172.98 1pvj s PHE 109 N -3.86 2.80 -0.23 5.02 5.36 -1.26 -0.25 117.98 125.56 1pvj s PHE 109 Ca 0.09 -0.09 -0.27 0.00 -0.96 0.00 0.00 56.93 55.70 1pvj s PHE 109 Cb -0.05 -1.60 0.12 0.00 -0.34 0.00 0.00 43.02 41.16 1pvj s PHE 109 CO 0.03 0.31 1.01 0.34 -1.46 0.00 0.00 175.22 175.45 1pvj s ASP 110 N -1.23 -0.42 -0.00 6.13 -1.08 -1.26 -4.89 116.67 113.92 1pvj s ASP 110 Ca 0.15 0.68 0.01 0.00 -0.52 0.00 0.00 52.55 52.87 1pvj s ASP 110 Cb -0.11 0.64 -0.02 0.00 -1.46 0.00 0.00 42.92 41.97 1pvj s ASP 110 CO 0.05 -0.24 0.04 0.00 0.52 0.00 0.00 175.17 175.54 1pvj n ALA 111 N 1.58 2.09 -1.37 3.66 0.00 -1.26 -4.68 120.51 120.52 1pvj n ALA 111 Ca -0.12 -0.03 -0.59 0.00 0.00 0.00 0.00 53.44 52.70 1pvj n ALA 111 Cb 0.57 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1pvj n ALA 111 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pvj n ASN 112 N -1.39 1.19 0.00 0.00 3.02 -1.26 0.18 115.26 117.01 1pvj n ASN 112 Ca -0.00 0.70 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 1pvj n ASN 112 Cb 0.03 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1pvj n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pvj n GLY 113 N 6.71 3.00 3.46 7.41 0.00 -1.26 -4.91 105.19 119.60 1pvj n GLY 113 Ca 0.48 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.06 1pvj n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvj s LYS 114 N -0.07 3.97 0.15 1.61 1.02 0.13 -4.87 119.74 121.67 1pvj s LYS 114 Ca 0.00 -2.38 -0.18 0.00 0.02 0.00 0.00 55.97 53.43 1pvj s LYS 114 Cb 0.00 -5.02 0.04 0.00 -0.52 0.00 0.00 37.83 32.33 1pvj s LYS 114 CO 0.00 -1.76 1.70 1.49 -0.92 0.00 0.00 175.35 175.86 1pvj h GLU 115 N 7.58 0.07 -0.85 1.68 4.57 -1.91 -2.04 114.58 123.67 1pvj h GLU 115 Ca 0.28 -0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.64 1pvj h GLU 115 Cb 0.91 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.43 1pvj h GLU 115 CO 1.21 0.04 0.57 -2.95 -1.18 0.00 0.00 179.01 176.70 1pvj h ASN 116 N 0.07 0.37 0.00 1.04 -1.07 -1.89 0.69 115.58 114.78 1pvj h ASN 116 Ca 0.15 0.03 -0.22 0.00 0.07 0.00 0.00 56.30 56.33 1pvj h ASN 116 Cb 0.20 -0.04 0.01 0.00 -2.07 0.00 0.00 38.32 36.42 1pvj h ASN 116 CO -0.26 0.16 -0.81 0.40 0.07 0.00 0.00 177.43 176.99 1pvj h ILE 117 N 0.37 1.31 -0.09 6.14 2.04 -1.76 -2.97 117.51 122.55 1pvj h ILE 117 Ca 0.44 -2.07 -0.23 0.00 1.00 0.00 0.00 64.86 64.00 1pvj h ILE 117 Cb 1.11 2.08 0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1pvj h ILE 117 CO -0.15 0.65 -0.84 0.00 0.00 0.00 0.00 178.15 177.81 1pvj h ALA 118 N 0.65 0.33 -0.27 1.87 0.00 -0.36 -2.76 119.26 118.72 1pvj h ALA 118 Ca -0.06 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.27 1pvj h ALA 118 Cb 1.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1pvj h ALA 118 CO 0.16 0.71 0.19 1.03 0.00 0.00 0.00 179.25 181.34 1pvj h SER 119 N 0.43 0.13 0.26 0.00 0.87 0.30 -0.03 113.55 115.51 1pvj h SER 119 Ca -0.07 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1pvj h SER 119 Cb 1.47 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 1pvj h SER 119 CO 0.16 0.09 -0.12 0.15 -0.53 0.00 0.00 176.83 176.58 1pvj h PHE 120 N 0.15 -0.32 -0.99 2.24 3.57 -1.35 -3.07 116.94 117.17 1pvj h PHE 120 Ca 0.12 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.85 1pvj h PHE 120 Cb 0.29 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 1pvj h PHE 120 CO -0.00 -0.03 0.65 0.52 -2.23 0.00 0.00 178.31 177.21 1pvj h MET 121 N -1.01 0.37 0.28 1.11 2.86 -1.20 0.02 114.93 117.37 1pvj h MET 121 Ca -0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1pvj h MET 121 Cb 0.43 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1pvj h MET 121 CO 0.06 0.25 -0.18 0.93 1.06 0.00 0.00 176.91 179.03 1pvj h GLU 122 N 0.39 -0.43 0.01 1.72 5.08 -1.03 -1.45 114.58 118.86 1pvj h GLU 122 Ca 0.54 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.96 1pvj h GLU 122 Cb 1.38 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.68 1pvj h GLU 122 CO -0.23 -0.29 -0.32 0.66 -1.00 0.00 0.00 179.01 177.84 1pvj h SER 123 N -0.45 -0.95 -0.91 1.42 4.64 -0.92 0.14 113.55 116.54 1pvj h SER 123 Ca -0.03 0.12 0.22 0.00 -0.47 0.00 0.00 61.79 61.64 1pvj h SER 123 Cb 0.37 0.38 -0.17 0.00 -0.31 0.00 0.00 62.40 62.67 1pvj h SER 123 CO 0.03 -0.38 -0.08 -1.22 -0.87 0.00 0.00 176.83 174.30 1pvj n TYR 124 N -5.41 0.48 0.10 4.77 0.53 -0.82 -1.62 117.16 115.18 1pvj n TYR 124 Ca -0.05 1.10 -0.04 0.00 -1.02 0.00 0.00 57.90 57.89 1pvj n TYR 124 Cb 0.32 -1.12 -0.02 0.00 -1.03 0.00 0.00 39.34 37.50 1pvj n TYR 124 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1pvj h VAL 125 N 0.00 0.00 0.00 -0.72 2.07 0.08 -0.60 116.25 117.08 1pvj h VAL 125 Ca 0.50 -0.07 -0.46 0.00 0.82 0.00 0.00 66.70 67.50 1pvj h VAL 125 Cb 0.94 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1pvj h VAL 125 CO -0.89 0.00 2.51 -1.84 0.02 0.00 0.00 177.57 177.37 1pvj n GLU 126 N -2.87 1.90 0.00 1.57 0.28 0.30 0.03 120.64 121.85 1pvj n GLU 126 Ca -0.03 -1.57 0.00 0.00 -0.16 0.00 0.00 57.16 55.40 1pvj n GLU 126 Cb 0.10 -2.59 0.00 0.00 1.43 0.00 0.00 31.44 30.38 1pvj n GLU 126 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1pvj n GLN 127 N 5.05 0.00 0.22 3.44 7.27 -1.03 -4.79 117.38 127.54 1pvj n GLN 127 Ca 0.45 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.61 1pvj n GLN 127 Cb 0.21 0.00 0.46 0.00 2.41 0.00 0.00 30.24 33.32 1pvj n GLN 127 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1pvj h ILE 128 N 0.00 0.74 -0.07 1.69 2.04 0.13 -2.17 117.51 119.86 1pvj h ILE 128 Ca 0.00 -1.15 -0.17 0.00 1.00 0.00 0.00 64.86 64.54 1pvj h ILE 128 Cb 0.00 1.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1pvj h ILE 128 CO 0.00 0.26 -0.60 0.11 0.00 0.00 0.00 178.15 177.92 1pvj h LYS 129 N 0.00 0.54 0.00 2.37 1.57 -1.66 -2.96 116.57 116.43 1pvj h LYS 129 Ca -0.00 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1pvj h LYS 129 Cb 0.71 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1pvj h LYS 129 CO 0.04 1.11 0.00 0.39 -0.57 0.00 0.00 179.45 180.42 1pvj n GLU 130 N -4.17 0.16 0.12 3.15 1.02 -0.85 -1.19 120.64 118.88 1pvj n GLU 130 Ca -0.09 0.58 0.06 0.00 -0.02 0.00 0.00 57.16 57.68 1pvj n GLU 130 Cb 0.66 -1.94 0.02 0.00 -0.02 0.00 0.00 31.44 30.17 1pvj n GLU 130 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1pvj h ASN 131 N 0.00 0.00 0.13 1.62 2.35 -1.30 -3.24 115.58 115.14 1pvj h ASN 131 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pvj h ASN 131 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1pvj h ASN 131 CO 0.00 0.32 0.00 0.29 -1.65 0.00 0.00 177.43 176.39 1pvj n LYS 132 N -3.01 0.08 0.22 0.81 5.02 -0.34 -1.70 118.16 119.24 1pvj n LYS 132 Ca -0.01 0.24 0.14 0.00 -2.02 0.00 0.00 58.31 56.67 1pvj n LYS 132 Cb 0.68 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.67 1pvj n LYS 132 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1pvj h LYS 133 N 0.00 0.00 0.00 1.97 1.79 -1.69 -3.45 116.57 115.19 1pvj h LYS 133 Ca 0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.06 1pvj h LYS 133 Cb 0.07 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 30.80 1pvj h LYS 133 CO 0.00 0.00 0.13 1.28 -1.08 0.00 0.00 179.45 179.78 1pvj n LEU 134 N -2.86 0.00 0.00 2.94 7.99 -0.69 -5.04 117.00 119.34 1pvj n LEU 134 Ca 0.02 -1.84 0.00 0.00 -0.01 0.00 0.00 56.01 54.19 1pvj n LEU 134 Cb 0.37 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 43.07 1pvj n LEU 134 CO 0.28 -0.98 0.05 -0.90 -1.51 0.00 0.00 177.39 174.34 1pvj n ASP 135 N -2.99 0.12 -4.93 -1.43 5.68 -1.26 -5.07 116.55 106.66 1pvj n ASP 135 Ca 0.15 -1.01 -0.26 0.00 -0.50 0.00 0.00 54.79 53.17 1pvj n ASP 135 Cb 0.53 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1pvj n ASP 135 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1pvj s THR 136 N -0.01 5.16 0.70 2.12 -4.23 -1.26 -5.11 115.64 113.01 1pvj s THR 136 Ca 0.00 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.07 1pvj s THR 136 Cb 0.00 -3.78 0.06 0.00 1.34 0.00 0.00 72.50 70.12 1pvj s THR 136 CO 0.00 -0.31 1.00 -0.89 -0.54 0.00 0.00 174.62 173.88 1pvj s THR 137 N -2.03 2.35 0.22 3.99 2.01 -1.26 -4.67 115.64 116.25 1pvj s THR 137 Ca 0.39 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1pvj s THR 137 Cb -0.10 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.29 1pvj s THR 137 CO 0.31 -0.02 1.36 -0.47 -0.69 0.00 0.00 174.62 175.10 1pvj s TYR 138 N -3.22 3.17 0.00 4.92 5.04 -0.68 -4.95 117.35 121.62 1pvj s TYR 138 Ca 0.60 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 1pvj s TYR 138 Cb -0.11 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1pvj s TYR 138 CO 0.45 -2.17 0.00 0.00 -1.34 0.00 0.00 175.55 172.49 1pvj n ALA 139 N 2.48 0.00 0.00 3.97 0.00 -1.26 -5.06 120.51 120.63 1pvj n ALA 139 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pvj n ALA 139 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1pvj n ALA 139 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1pvj n GLN 146 N 0.00 0.00 -2.75 0.00 7.27 -1.26 -5.17 117.38 115.47 1pvj n GLN 146 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1pvj n GLN 146 Cb 0.00 0.00 0.10 0.00 2.41 0.00 0.00 30.24 32.75 1pvj n GLN 146 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1pvj s PRO 147 N -5.12 1.82 -0.13 3.69 0.04 -1.26 -4.66 135.00 129.39 1pvj s PRO 147 Ca 0.00 -1.35 -0.00 0.00 0.04 0.00 0.00 61.00 59.69 1pvj s PRO 147 Cb 0.00 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1pvj s PRO 147 CO 0.00 -1.30 -0.13 0.08 0.04 0.00 0.00 177.00 175.69 1pvj s VAL 148 N -3.00 3.07 -0.12 -0.36 1.01 -1.26 -3.20 120.40 116.54 1pvj s VAL 148 Ca 0.66 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1pvj s VAL 148 Cb -0.05 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.05 1pvj s VAL 148 CO 0.43 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 175.20 1pvj s VAL 149 N 0.34 1.63 0.19 2.92 1.01 -0.32 -4.93 120.40 121.24 1pvj s VAL 149 Ca -0.11 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1pvj s VAL 149 Cb -0.16 -1.48 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1pvj s VAL 149 CO 0.06 0.47 1.04 -0.54 0.00 0.00 0.00 175.10 176.12 1pvj s LYS 150 N 1.05 4.68 -0.27 2.72 -0.14 -1.26 -0.24 119.74 126.28 1pvj s LYS 150 Ca -0.04 1.63 -0.24 0.00 -1.36 0.00 0.00 55.97 55.96 1pvj s LYS 150 Cb -0.15 -3.28 -0.10 0.00 -1.68 0.00 0.00 37.83 32.62 1pvj s LYS 150 CO -0.04 0.22 1.00 0.45 -0.76 0.00 0.00 175.35 176.23 1pvj n SER 151 N 2.07 0.52 -0.11 2.83 2.88 -1.25 -4.72 113.62 115.84 1pvj n SER 151 Ca 0.01 0.49 -0.11 0.00 -1.33 0.00 0.00 58.87 57.94 1pvj n SER 151 Cb 0.47 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 1pvj n SER 151 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pvj h LEU 152 N 3.77 0.53 -0.34 2.46 3.38 -0.39 -2.27 115.31 122.46 1pvj h LEU 152 Ca -0.14 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1pvj h LEU 152 Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1pvj h LEU 152 CO 0.55 0.69 -0.14 -0.07 0.09 0.00 0.00 178.44 179.57 1pvj h LEU 153 N 0.35 0.71 -1.39 1.67 4.07 -1.87 -2.79 115.31 116.06 1pvj h LEU 153 Ca 0.09 -0.39 0.04 0.00 0.08 0.00 0.00 57.88 57.69 1pvj h LEU 153 Cb 0.41 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.92 1pvj h LEU 153 CO 0.01 0.94 0.44 0.44 -1.08 0.00 0.00 178.44 179.20 1pvj h ASP 154 N 0.47 0.68 0.29 -0.43 3.32 -1.80 0.47 116.42 119.42 1pvj h ASP 154 Ca 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1pvj h ASP 154 Cb 0.66 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1pvj h ASP 154 CO 0.04 0.47 0.00 0.77 -1.72 0.00 0.00 179.24 178.80 1pvj h SER 155 N 0.79 0.00 -0.05 6.45 4.64 -1.12 -0.82 113.55 123.43 1pvj h SER 155 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1pvj h SER 155 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1pvj h SER 155 CO -0.08 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.17 1pvj n LYS 156 N -2.35 2.93 -3.71 4.77 5.02 0.05 -4.99 118.16 119.89 1pvj n LYS 156 Ca -0.00 -1.62 -0.26 0.00 -2.02 0.00 0.00 58.31 54.41 1pvj n LYS 156 Cb 0.11 -1.06 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1pvj n LYS 156 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pvj n GLY 157 N -0.38 -0.52 3.56 0.72 0.00 -0.32 -4.83 105.19 103.42 1pvj n GLY 157 Ca 0.02 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1pvj n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvj s ILE 158 N -3.32 5.01 -0.41 -0.61 1.01 -0.73 -4.18 121.20 117.97 1pvj s ILE 158 Ca 0.59 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.65 1pvj s ILE 158 Cb -0.27 -3.97 0.16 0.00 0.01 0.00 0.00 42.46 38.39 1pvj s ILE 158 CO 0.77 -0.22 0.39 -1.00 0.00 0.00 0.00 174.94 174.88 1pvj s HIS 159 N 2.41 0.21 0.65 3.97 3.76 -0.62 -4.61 115.29 121.06 1pvj s HIS 159 Ca 0.19 -1.52 -0.05 0.00 -0.15 0.00 0.00 55.06 53.53 1pvj s HIS 159 Cb -0.15 -0.57 0.05 0.00 1.11 0.00 0.00 32.58 33.01 1pvj s HIS 159 CO 0.13 -0.94 0.94 0.71 -0.85 0.00 0.00 174.74 174.74 1pvj s TYR 160 N 0.72 2.97 0.00 1.40 4.12 -1.26 -4.58 117.35 120.72 1pvj s TYR 160 Ca 0.26 0.39 0.00 0.00 0.02 0.00 0.00 57.07 57.74 1pvj s TYR 160 Cb -0.06 -3.02 0.00 0.00 -1.52 0.00 0.00 41.96 37.36 1pvj s TYR 160 CO -0.09 -1.19 0.00 -1.71 0.02 0.00 0.00 175.55 172.58 1pvj n ASN 161 N -2.74 0.66 0.00 2.29 2.85 -1.26 -1.48 115.26 115.58 1pvj n ASN 161 Ca 0.07 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 54.10 1pvj n ASN 161 Cb 0.60 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.62 1pvj n ASN 161 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pvj n GLN 162 N 0.00 0.34 0.00 1.20 6.02 -1.26 -4.83 117.38 118.84 1pvj n GLN 162 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.18 1pvj n GLN 162 Cb 0.00 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1pvj n GLN 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pvj n GLY 163 N -0.16 3.46 3.76 1.08 0.00 -1.26 -1.48 105.19 110.58 1pvj n GLY 163 Ca 0.00 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1pvj n GLY 163 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pvj s ASN 164 N -0.02 6.92 0.00 1.61 3.84 -1.26 0.33 114.94 126.36 1pvj s ASN 164 Ca 0.00 2.54 0.25 0.00 0.21 0.00 0.00 52.86 55.87 1pvj s ASN 164 Cb 0.00 -2.64 0.80 0.00 -0.55 0.00 0.00 41.25 38.86 1pvj s ASN 164 CO 0.00 -0.43 1.60 -0.81 -2.79 0.00 0.00 177.10 174.66 1pvj n PRO 165 N 1.15 1.84 -0.19 0.43 -0.04 -1.26 -4.84 135.00 132.10 1pvj n PRO 165 Ca 0.01 -1.24 -0.01 0.00 -0.04 0.00 0.00 63.50 62.21 1pvj n PRO 165 Cb 0.43 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.52 1pvj n PRO 165 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1pvj h TYR 166 N 2.83 0.35 -0.11 0.54 -1.99 -0.56 -1.05 116.97 116.99 1pvj h TYR 166 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1pvj h TYR 166 Cb 0.61 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1pvj h TYR 166 CO 0.04 0.09 0.00 0.27 -0.00 0.00 0.00 178.16 178.57 1pvj n ASN 167 N -5.01 0.90 0.32 3.88 6.94 0.15 -4.05 115.26 118.40 1pvj n ASN 167 Ca 0.07 -2.04 0.16 0.00 -0.02 0.00 0.00 54.58 52.76 1pvj n ASN 167 Cb 0.25 -0.19 0.85 0.00 -2.36 0.00 0.00 39.78 38.33 1pvj n ASN 167 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1pvj h LEU 168 N 0.66 0.00 -2.75 -4.53 4.07 -1.42 -2.37 115.31 108.96 1pvj h LEU 168 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pvj h LEU 168 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1pvj h LEU 168 CO 0.02 0.00 -0.04 0.18 -1.08 0.00 0.00 178.44 177.52 1pvj n LEU 169 N -2.97 1.81 -4.86 1.67 4.77 -1.26 -5.04 117.00 111.12 1pvj n LEU 169 Ca -0.01 -2.16 -0.30 0.00 -0.03 0.00 0.00 56.01 53.51 1pvj n LEU 169 Cb 0.37 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1pvj n LEU 169 CO 0.15 0.52 0.74 0.42 -1.33 0.00 0.00 177.39 177.88 1pvj s THR 170 N -1.54 3.46 0.33 -5.08 -4.23 -0.89 -4.88 115.64 102.80 1pvj s THR 170 Ca 0.12 0.47 -0.28 0.00 -1.18 0.00 0.00 61.69 60.83 1pvj s THR 170 Cb 0.10 -3.39 -0.13 0.00 1.34 0.00 0.00 72.50 70.43 1pvj s THR 170 CO 0.01 -0.62 1.17 -2.65 -0.54 0.00 0.00 174.62 172.00 1pvj n PRO 171 N -3.12 1.80 -2.93 3.99 -0.02 -1.26 -4.40 135.00 129.07 1pvj n PRO 171 Ca 0.07 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1pvj n PRO 171 Cb 0.57 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1pvj n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pvj s VAL 172 N -1.09 4.87 0.16 -1.45 1.01 -1.26 0.00 120.40 122.64 1pvj s VAL 172 Ca 0.57 1.52 -0.33 0.00 0.00 0.00 0.00 61.98 63.74 1pvj s VAL 172 Cb -0.62 -4.09 -0.13 0.00 0.00 0.00 0.00 36.38 31.54 1pvj s VAL 172 CO 0.61 -0.03 1.62 -0.38 0.00 0.00 0.00 175.10 176.93 1pvj n ILE 173 N 5.07 0.03 -0.03 2.22 5.41 -0.34 -4.83 119.36 126.90 1pvj n ILE 173 Ca 0.04 -0.01 0.01 0.00 1.00 0.00 0.00 62.75 63.79 1pvj n ILE 173 Cb 0.48 -1.65 -0.11 0.00 -0.71 0.00 0.00 39.64 37.65 1pvj n ILE 173 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pvj n GLU 174 N 3.71 1.10 -4.38 0.38 1.02 -0.19 -0.81 120.64 121.47 1pvj n GLU 174 Ca 0.17 -0.07 -0.19 0.00 -0.02 0.00 0.00 57.16 57.05 1pvj n GLU 174 Cb 0.30 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1pvj n GLU 174 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pvj s LYS 175 N -2.67 1.43 -0.20 3.49 1.02 -0.41 -4.92 119.74 117.48 1pvj s LYS 175 Ca -0.06 -1.71 -0.10 0.00 0.02 0.00 0.00 55.97 54.12 1pvj s LYS 175 Cb 0.07 -0.94 -0.05 0.00 -0.52 0.00 0.00 37.83 36.39 1pvj s LYS 175 CO 0.57 0.00 0.12 0.08 -0.92 0.00 0.00 175.35 175.21 1pvj s VAL 176 N -3.17 5.32 -0.08 3.17 1.01 -1.26 -4.58 120.40 120.81 1pvj s VAL 176 Ca 0.28 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 1pvj s VAL 176 Cb 0.04 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1pvj s VAL 176 CO 0.10 0.44 1.10 -0.75 0.00 0.00 0.00 175.10 175.99 1pvj s LYS 177 N 0.40 4.39 0.16 2.72 2.20 -1.26 -4.94 119.74 123.41 1pvj s LYS 177 Ca 0.07 1.53 -0.34 0.00 -0.36 0.00 0.00 55.97 56.88 1pvj s LYS 177 Cb -0.11 -3.55 -0.15 0.00 -1.51 0.00 0.00 37.83 32.51 1pvj s LYS 177 CO -0.01 -0.38 1.33 -2.30 -0.36 0.00 0.00 175.35 173.62 1pvj n PRO 178 N 5.10 1.51 -1.00 4.03 -0.02 -1.26 -1.13 135.00 142.23 1pvj n PRO 178 Ca 0.10 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1pvj n PRO 178 Cb 0.47 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1pvj n PRO 178 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvj n GLY 179 N 2.40 0.41 3.16 -1.23 0.00 -1.26 -5.03 105.19 103.64 1pvj n GLY 179 Ca 0.15 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1pvj n GLY 179 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pvj s GLU 180 N -1.54 0.80 0.59 1.61 2.12 -0.28 -5.14 118.70 116.86 1pvj s GLU 180 Ca 0.00 -1.15 -0.15 0.00 0.36 0.00 0.00 54.97 54.03 1pvj s GLU 180 Cb 0.00 -0.42 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 1pvj s GLU 180 CO 0.00 0.05 1.04 -0.65 -0.54 0.00 0.00 175.26 175.16 1pvj s GLN 181 N -2.88 3.46 0.30 4.30 -0.21 -1.26 -4.67 119.66 118.70 1pvj s GLN 181 Ca 0.05 1.08 -0.29 0.00 0.02 0.00 0.00 55.36 56.21 1pvj s GLN 181 Cb -0.02 -2.06 -0.10 0.00 1.00 0.00 0.00 33.01 31.83 1pvj s GLN 181 CO -0.01 -0.68 1.19 0.45 -2.12 0.00 0.00 175.29 174.12 1pvj s SER 182 N -3.08 7.05 -0.10 5.90 0.15 -1.26 -4.73 113.70 117.63 1pvj s SER 182 Ca 0.61 2.45 0.14 0.00 0.70 0.00 0.00 55.95 59.85 1pvj s SER 182 Cb -0.14 -2.64 0.22 0.00 -1.71 0.00 0.00 66.02 61.76 1pvj s SER 182 CO 0.39 -0.32 1.12 0.49 1.20 0.00 0.00 173.24 176.11 1pvj n PHE 183 N 1.08 0.00 -1.77 3.44 3.01 -1.26 -5.07 117.46 116.89 1pvj n PHE 183 Ca -0.00 -0.77 -0.42 0.00 1.01 0.00 0.00 57.45 57.27 1pvj n PHE 183 Cb 0.43 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 1pvj n PHE 183 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1pvj s VAL 184 N -2.18 2.12 0.00 -4.37 1.01 -1.26 -1.50 120.40 114.22 1pvj s VAL 184 Ca 0.24 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1pvj s VAL 184 Cb 0.22 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1pvj s VAL 184 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1pvj n GLY 185 N 3.62 2.17 3.86 4.51 0.00 0.01 -5.00 105.19 114.37 1pvj n GLY 185 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1pvj n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pvj s GLN 186 N -0.56 3.84 0.15 1.61 -0.21 -0.56 -4.82 119.66 119.09 1pvj s GLN 186 Ca 0.00 0.62 -0.22 0.00 0.02 0.00 0.00 55.36 55.79 1pvj s GLN 186 Cb 0.00 -2.31 -0.08 0.00 1.00 0.00 0.00 33.01 31.62 1pvj s GLN 186 CO 0.00 -0.11 0.69 -1.01 -2.12 0.00 0.00 175.29 172.74 1pvj s HIS 187 N -2.45 3.81 1.13 0.91 3.76 -1.26 -1.19 115.29 120.00 1pvj s HIS 187 Ca 0.54 1.44 -0.19 0.00 -0.15 0.00 0.00 55.06 56.70 1pvj s HIS 187 Cb -0.10 -2.63 0.12 0.00 1.11 0.00 0.00 32.58 31.08 1pvj s HIS 187 CO 0.31 0.50 0.03 0.00 -0.85 0.00 0.00 174.74 174.73 1pvj n ALA 188 N 1.41 -4.12 -2.24 -1.40 0.00 0.10 -4.86 120.51 109.41 1pvj n ALA 188 Ca -0.06 -1.31 -0.29 0.00 0.00 0.00 0.00 53.44 51.77 1pvj n ALA 188 Cb 0.50 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 1pvj n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pvj s ALA 189 N -2.23 3.39 0.31 0.00 0.00 -0.65 -4.79 121.76 117.79 1pvj s ALA 189 Ca 0.56 -0.33 0.27 0.00 0.00 0.00 0.00 51.96 52.46 1pvj s ALA 189 Cb -0.12 -2.64 1.27 0.00 0.00 0.00 0.00 23.12 21.63 1pvj s ALA 189 CO 0.65 -0.10 1.98 1.79 0.00 0.00 0.00 175.76 180.09 1pvj h THR 190 N 0.84 0.54 0.00 0.00 1.35 -1.61 -3.40 112.91 110.63 1pvj h THR 190 Ca -0.47 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1pvj h THR 190 Cb 1.19 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1pvj h THR 190 CO 0.63 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1pvj n GLY 191 N -0.36 0.89 0.14 5.82 0.00 -1.26 -4.49 105.19 105.93 1pvj n GLY 191 Ca -0.01 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 1pvj n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvj h VAL 193 N 0.16 1.31 -0.27 0.00 -1.51 -1.87 0.79 116.25 114.86 1pvj h VAL 193 Ca -0.04 -2.08 -0.13 0.00 -1.23 0.00 0.00 66.70 63.21 1pvj h VAL 193 Cb 1.43 2.16 -0.00 0.00 -2.13 0.00 0.00 31.29 32.75 1pvj h VAL 193 CO 0.13 0.57 -0.35 0.00 -1.23 0.00 0.00 177.57 176.70 1pvj h ALA 194 N 1.41 0.41 -0.15 5.19 0.00 -1.78 0.98 119.26 125.32 1pvj h ALA 194 Ca -0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1pvj h ALA 194 Cb 1.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pvj h ALA 194 CO 0.08 0.47 -0.10 1.15 0.00 0.00 0.00 179.25 180.85 1pvj h THR 195 N 0.45 1.33 -0.79 0.00 2.02 -0.93 -0.65 112.91 114.33 1pvj h THR 195 Ca 0.03 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 1pvj h THR 195 Cb 0.93 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 1pvj h THR 195 CO 0.08 0.35 0.37 0.00 0.37 0.00 0.00 175.52 176.69 1pvj h ALA 196 N 0.65 1.02 -0.26 6.16 0.00 0.62 -1.71 119.26 125.74 1pvj h ALA 196 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1pvj h ALA 196 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pvj h ALA 196 CO 0.03 0.60 -0.03 1.15 0.00 0.00 0.00 179.25 181.00 1pvj h THR 197 N 1.13 1.27 -0.83 0.00 2.02 -0.75 -2.92 112.91 112.83 1pvj h THR 197 Ca 0.27 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1pvj h THR 197 Cb 0.14 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1pvj h THR 197 CO -0.03 0.31 0.42 0.00 0.37 0.00 0.00 175.52 176.59 1pvj h ALA 198 N 0.79 1.06 0.13 6.16 0.00 -0.86 -0.85 119.26 125.70 1pvj h ALA 198 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pvj h ALA 198 Cb 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pvj h ALA 198 CO 0.02 0.60 -0.06 1.96 0.00 0.00 0.00 179.25 181.77 1pvj h GLN 199 N 1.16 -0.17 -0.82 0.00 4.20 -1.32 0.21 115.11 118.39 1pvj h GLN 199 Ca 0.29 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.10 1pvj h GLN 199 Cb 0.08 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1pvj h GLN 199 CO -0.04 -0.11 0.53 0.82 -0.67 0.00 0.00 178.83 179.36 1pvj h ILE 200 N -0.17 0.95 -0.48 2.54 2.04 -1.29 -0.80 117.51 120.30 1pvj h ILE 200 Ca -0.02 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 1pvj h ILE 200 Cb 0.13 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1pvj h ILE 200 CO 0.03 0.14 -0.23 0.24 0.00 0.00 0.00 178.15 178.33 1pvj h MET 201 N 0.76 1.00 -0.24 2.37 2.86 -0.22 -2.87 114.93 118.59 1pvj h MET 201 Ca 0.38 -0.43 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1pvj h MET 201 Cb 0.44 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1pvj h MET 201 CO -0.15 1.11 -0.28 -0.22 1.06 0.00 0.00 176.91 178.43 1pvj h LYS 202 N 0.86 0.47 -0.01 1.72 1.63 0.24 0.28 116.57 121.77 1pvj h LYS 202 Ca 0.11 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1pvj h LYS 202 Cb 0.81 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1pvj h LYS 202 CO 0.07 0.71 0.01 -0.92 -3.45 0.00 0.00 179.45 175.86 1pvj h TYR 203 N 0.41 0.00 -0.01 1.91 3.20 -0.96 -1.06 116.97 120.46 1pvj h TYR 203 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1pvj h TYR 203 Cb 0.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1pvj h TYR 203 CO 0.02 0.00 -0.12 0.72 -1.64 0.00 0.00 178.16 177.14 1pvj n HIS 204 N -4.10 0.00 -4.29 -3.82 8.25 -0.76 -4.99 115.22 105.51 1pvj n HIS 204 Ca -0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.09 1pvj n HIS 204 Cb 0.09 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 1pvj n HIS 204 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pvj n ASN 205 N 0.33 -0.89 -4.01 0.41 3.02 0.93 -4.93 115.26 110.12 1pvj n ASN 205 Ca 0.07 -1.16 -0.09 0.00 -0.03 0.00 0.00 54.58 53.37 1pvj n ASN 205 Cb 0.31 -2.13 -0.11 0.00 -0.61 0.00 0.00 39.78 37.25 1pvj n ASN 205 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pvj s TYR 206 N -3.78 0.34 0.44 3.10 5.04 -1.14 -4.71 117.35 116.64 1pvj s TYR 206 Ca 0.37 -0.63 -0.07 0.00 -2.44 0.00 0.00 57.07 54.30 1pvj s TYR 206 Cb -0.21 -0.24 0.10 0.00 0.35 0.00 0.00 41.96 41.96 1pvj s TYR 206 CO 0.97 -0.22 0.60 -0.35 -1.34 0.00 0.00 175.55 175.22 1pvj n PRO 207 N 1.30 -0.54 -0.08 4.97 -0.04 -1.26 -4.81 135.00 134.54 1pvj n PRO 207 Ca -0.22 -0.97 -0.10 0.00 -0.04 0.00 0.00 63.50 62.17 1pvj n PRO 207 Cb 0.56 -0.61 -0.10 0.00 -0.04 0.00 0.00 33.50 33.31 1pvj n PRO 207 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pvj n ASN 208 N -3.37 1.92 -4.15 3.54 5.03 -1.26 -4.66 115.26 112.31 1pvj n ASN 208 Ca 0.08 -0.04 -0.32 0.00 0.87 0.00 0.00 54.58 55.16 1pvj n ASN 208 Cb 0.27 0.36 -0.16 0.00 -1.02 0.00 0.00 39.78 39.23 1pvj n ASN 208 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1pvj s LYS 209 N -2.36 2.94 0.49 3.52 1.02 -1.26 0.09 119.74 124.18 1pvj s LYS 209 Ca -0.15 -0.82 -0.24 0.00 0.02 0.00 0.00 55.97 54.78 1pvj s LYS 209 Cb 0.05 -2.41 -0.07 0.00 -0.52 0.00 0.00 37.83 34.89 1pvj s LYS 209 CO 0.52 -0.05 1.37 0.20 -0.92 0.00 0.00 175.35 176.47 1pvj s GLY 210 N 0.91 2.90 -0.19 -3.33 0.00 -0.71 -4.85 107.32 102.04 1pvj s GLY 210 Ca -0.05 1.35 -0.17 0.00 0.00 0.00 0.00 44.72 45.85 1pvj s GLY 210 CO -0.04 1.91 0.03 -0.10 0.00 0.00 0.00 173.10 174.91 1pvj n LEU 211 N -0.55 1.85 -3.89 0.66 0.00 0.36 -4.32 117.00 111.12 1pvj n LEU 211 Ca 0.07 0.48 -0.15 0.00 0.00 0.00 0.00 56.01 56.42 1pvj n LEU 211 Cb 0.44 -0.92 -0.15 0.00 0.00 0.00 0.00 43.42 42.79 1pvj n LEU 211 CO 0.55 0.04 -0.38 -0.75 0.00 0.00 0.00 177.39 176.86 1pvj s LYS 212 N -2.35 0.23 0.91 1.96 2.20 -0.79 -4.53 119.74 117.37 1pvj s LYS 212 Ca -0.25 -0.05 -0.11 0.00 -0.36 0.00 0.00 55.97 55.20 1pvj s LYS 212 Cb 0.05 -0.27 0.14 0.00 -1.51 0.00 0.00 37.83 36.24 1pvj s LYS 212 CO 0.46 0.01 1.11 -0.51 -0.36 0.00 0.00 175.35 176.06 1pvj s ASP 213 N 0.21 3.14 0.04 1.43 1.01 -1.26 -4.11 116.67 117.13 1pvj s ASP 213 Ca -0.02 1.92 -0.03 0.00 0.71 0.00 0.00 52.55 55.14 1pvj s ASP 213 Cb -0.04 -2.47 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1pvj s ASP 213 CO -0.01 -2.92 0.03 -0.47 0.21 0.00 0.00 175.17 172.02 1pvj s TYR 214 N -2.73 0.32 0.08 4.23 5.04 -1.03 -4.93 117.35 118.33 1pvj s TYR 214 Ca 0.65 -0.70 -0.22 0.00 -2.44 0.00 0.00 57.07 54.36 1pvj s TYR 214 Cb -0.21 -0.23 0.06 0.00 0.35 0.00 0.00 41.96 41.93 1pvj s TYR 214 CO 0.58 -0.34 0.54 -0.08 -1.34 0.00 0.00 175.55 174.91 1pvj s THR 215 N -2.84 0.03 0.03 4.34 -1.32 -1.26 -2.15 115.64 112.47 1pvj s THR 215 Ca -0.03 -0.21 -0.28 0.00 -1.21 0.00 0.00 61.69 59.96 1pvj s THR 215 Cb 0.00 -1.01 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 1pvj s THR 215 CO -0.06 -0.12 0.84 -0.72 -2.21 0.00 0.00 174.62 172.35 1pvj s TYR 216 N -2.84 -0.37 -0.20 9.09 -0.85 -1.11 -5.02 117.35 116.05 1pvj s TYR 216 Ca -0.03 0.22 -0.07 0.00 -0.52 0.00 0.00 57.07 56.67 1pvj s TYR 216 Cb -0.00 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.85 1pvj s TYR 216 CO -0.05 -0.61 0.05 0.99 -1.52 0.00 0.00 175.55 174.41 1pvj s THR 217 N -3.24 4.44 0.26 -3.49 2.01 -1.26 -2.13 115.64 112.23 1pvj s THR 217 Ca 0.05 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 1pvj s THR 217 Cb -0.01 -3.02 -0.12 0.00 0.01 0.00 0.00 72.50 69.36 1pvj s THR 217 CO -0.09 0.42 1.54 -0.11 -0.69 0.00 0.00 174.62 175.69 1pvj n LEU 218 N 4.07 3.84 -4.54 4.42 7.94 0.52 -4.83 117.00 128.43 1pvj n LEU 218 Ca -0.17 1.14 -0.55 0.00 -1.11 0.00 0.00 56.01 55.32 1pvj n LEU 218 Cb 0.52 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 42.87 1pvj n LEU 218 CO 0.33 -0.09 0.68 -0.24 -1.11 0.00 0.00 177.39 176.97 1pvj n SER 219 N 2.35 0.67 0.11 1.96 2.88 -1.26 -4.67 113.62 115.65 1pvj n SER 219 Ca 0.11 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.90 1pvj n SER 219 Cb 0.34 -1.05 0.46 0.00 -0.75 0.00 0.00 64.21 63.22 1pvj n SER 219 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pvj n SER 220 N 1.95 0.54 -0.77 -3.46 3.41 -1.26 -2.16 113.62 111.87 1pvj n SER 220 Ca 0.19 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.52 1pvj n SER 220 Cb 0.14 -0.75 0.23 0.00 -0.26 0.00 0.00 64.21 63.58 1pvj n SER 220 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1pvj n ASN 221 N -2.10 2.25 -4.65 4.04 0.23 -1.26 -4.88 115.26 108.88 1pvj n ASN 221 Ca 0.02 -1.93 -0.43 0.00 -0.53 0.00 0.00 54.58 51.71 1pvj n ASN 221 Cb 0.21 -0.25 -0.02 0.00 -2.08 0.00 0.00 39.78 37.64 1pvj n ASN 221 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1pvj s ASN 222 N -1.16 6.70 0.05 0.53 3.84 -0.92 -4.93 114.94 119.06 1pvj s ASN 222 Ca 0.30 1.95 0.28 0.00 0.21 0.00 0.00 52.86 55.61 1pvj s ASN 222 Cb 0.16 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.43 1pvj s ASN 222 CO 0.22 -0.94 1.88 -0.81 -2.79 0.00 0.00 177.10 174.66 1pvj n PRO 223 N 7.07 0.07 0.00 0.43 -0.04 -1.26 -3.96 135.00 137.31 1pvj n PRO 223 Ca 0.16 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1pvj n PRO 223 Cb 0.44 -1.58 0.43 0.00 -0.04 0.00 0.00 33.50 32.75 1pvj n PRO 223 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pvj n TYR 224 N -1.70 0.00 -4.14 0.54 4.02 -1.26 -4.38 117.16 110.24 1pvj n TYR 224 Ca 0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.83 1pvj n TYR 224 Cb 0.36 -0.14 -0.11 0.00 -0.02 0.00 0.00 39.34 39.44 1pvj n TYR 224 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1pvj s PHE 225 N -2.50 0.86 0.48 -0.72 0.40 -1.25 -1.03 117.98 114.23 1pvj s PHE 225 Ca 0.25 -0.72 -0.19 0.00 -0.60 0.00 0.00 56.93 55.67 1pvj s PHE 225 Cb 0.19 -0.50 -0.09 0.00 0.51 0.00 0.00 43.02 43.14 1pvj s PHE 225 CO 0.51 -0.09 0.99 -0.80 0.70 0.00 0.00 175.22 176.52 1pvj s ASN 226 N -2.44 6.62 0.11 1.36 0.01 -1.26 -4.95 114.94 114.39 1pvj s ASN 226 Ca 0.03 1.71 0.10 0.00 -0.71 0.00 0.00 52.86 54.00 1pvj s ASN 226 Cb -0.01 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1pvj s ASN 226 CO -0.02 -0.59 -0.26 -1.00 -1.51 0.00 0.00 177.10 173.72 1pvj s HIS 227 N -2.30 2.21 0.70 2.20 3.76 -1.26 -4.05 115.29 116.54 1pvj s HIS 227 Ca 0.62 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 55.03 1pvj s HIS 227 Cb -0.11 -1.22 0.01 0.00 1.11 0.00 0.00 32.58 32.36 1pvj s HIS 227 CO 0.22 0.27 1.06 -1.25 -0.85 0.00 0.00 174.74 174.20 1pvj s PRO 228 N -1.86 2.88 -0.12 8.40 0.04 -1.26 -5.17 135.00 137.91 1pvj s PRO 228 Ca 0.12 1.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 1pvj s PRO 228 Cb -0.10 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.50 1pvj s PRO 228 CO 0.05 -1.15 0.04 0.21 0.04 0.00 0.00 177.00 176.19 1pvj s LYS 229 N -4.96 0.38 -0.11 4.56 2.47 -1.26 -5.07 119.74 115.76 1pvj s LYS 229 Ca 0.59 -0.01 -0.01 0.00 -1.56 0.00 0.00 55.97 54.98 1pvj s LYS 229 Cb -0.15 -1.34 -0.03 0.00 -1.46 0.00 0.00 37.83 34.86 1pvj s LYS 229 CO 0.54 -0.46 -0.08 -0.80 0.16 0.00 0.00 175.35 174.71 1pvj s ASN 230 N 2.01 4.52 0.04 1.43 0.01 -1.26 -0.35 114.94 121.34 1pvj s ASN 230 Ca 0.03 -0.13 0.08 0.00 -0.71 0.00 0.00 52.86 52.13 1pvj s ASN 230 Cb -0.14 -1.42 -0.03 0.00 0.41 0.00 0.00 41.25 40.07 1pvj s ASN 230 CO -0.06 0.26 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.83 1pvj s LEU 231 N -0.22 2.47 -0.02 0.60 1.02 -0.91 -4.99 118.68 116.63 1pvj s LEU 231 Ca 0.03 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.72 1pvj s LEU 231 Cb -0.13 -1.45 0.02 0.00 0.02 0.00 0.00 46.19 44.65 1pvj s LEU 231 CO 0.03 0.26 -0.00 0.12 0.02 0.00 0.00 176.35 176.77 1pvj s PHE 232 N -0.87 0.28 -0.17 0.29 5.36 -1.26 -2.74 117.98 118.86 1pvj s PHE 232 Ca 0.13 -0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 1pvj s PHE 232 Cb -0.10 -0.34 0.02 0.00 -0.34 0.00 0.00 43.02 42.25 1pvj s PHE 232 CO 0.04 -0.10 -0.19 0.00 -1.46 0.00 0.00 175.22 173.51 1pvj s ALA 233 N 0.77 2.35 -0.75 11.12 0.00 -0.91 -5.01 121.76 129.33 1pvj s ALA 233 Ca -0.08 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1pvj s ALA 233 Cb -0.11 -1.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 1pvj s ALA 233 CO -0.01 -0.28 2.99 0.00 0.00 0.00 0.00 175.76 178.46 1pvj n ALA 234 N 4.49 6.74 -0.27 0.00 0.00 -1.26 -2.46 120.51 127.76 1pvj n ALA 234 Ca -0.21 -3.01 0.07 0.00 0.00 0.00 0.00 53.44 50.30 1pvj n ALA 234 Cb 0.50 -2.59 0.21 0.00 0.00 0.00 0.00 19.45 17.58 1pvj n ALA 234 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1pvj h ILE 235 N 2.33 0.52 -0.09 0.00 2.04 -1.92 -0.32 117.51 120.06 1pvj h ILE 235 Ca 0.50 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 66.27 1pvj h ILE 235 Cb 0.78 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1pvj h ILE 235 CO 1.00 0.06 0.45 0.77 0.00 0.00 0.00 178.15 180.43 1pvj h SER 236 N 0.33 0.00 -0.50 1.72 4.64 -1.75 0.23 113.55 118.21 1pvj h SER 236 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1pvj h SER 236 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1pvj h SER 236 CO -0.50 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.81 1pvj n THR 237 N -2.99 1.61 -3.15 2.95 -2.24 -0.13 -4.64 114.28 105.69 1pvj n THR 237 Ca 0.00 -1.25 -0.36 0.00 -2.27 0.00 0.00 64.05 60.17 1pvj n THR 237 Cb 0.52 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 1pvj n THR 237 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pvj s ARG 238 N -1.71 4.19 -0.57 -0.78 1.81 0.80 -4.95 118.95 117.75 1pvj s ARG 238 Ca 0.41 0.79 0.06 0.00 -1.72 0.00 0.00 55.73 55.28 1pvj s ARG 238 Cb 0.27 -2.89 0.24 0.00 -0.45 0.00 0.00 34.95 32.12 1pvj s ARG 238 CO 0.20 0.41 0.65 1.04 -0.68 0.00 0.00 175.30 176.92 1pvj n GLN 239 N 0.73 1.89 -1.50 3.54 1.13 -1.25 -1.74 117.38 120.18 1pvj n GLN 239 Ca -0.03 -4.20 -0.49 0.00 -1.94 0.00 0.00 57.00 50.34 1pvj n GLN 239 Cb 0.51 -1.94 -0.06 0.00 0.11 0.00 0.00 30.24 28.86 1pvj n GLN 239 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1pvj n TYR 240 N 1.14 1.74 -2.96 1.08 0.53 0.11 -4.91 117.16 113.90 1pvj n TYR 240 Ca 0.27 0.15 -0.44 0.00 -1.02 0.00 0.00 57.90 56.86 1pvj n TYR 240 Cb 0.44 -2.59 -0.02 0.00 -1.03 0.00 0.00 39.34 36.14 1pvj n TYR 240 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1pvj s ASN 241 N 7.40 6.67 0.00 7.72 3.84 -1.26 -4.62 114.94 134.69 1pvj s ASN 241 Ca 1.06 -2.15 0.00 0.00 0.21 0.00 0.00 52.86 51.98 1pvj s ASN 241 Cb -0.71 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 37.61 1pvj s ASN 241 CO 0.46 -1.00 0.10 0.79 -2.79 0.00 0.00 177.10 174.65 1pvj n TRP 242 N 6.28 0.00 -0.02 0.43 7.02 -1.26 0.16 117.44 130.05 1pvj n TRP 242 Ca 0.24 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.78 1pvj n TRP 242 Cb 0.49 -0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.22 1pvj n TRP 242 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1pvj n ASN 243 N -0.19 0.37 -0.03 -0.99 5.03 -1.26 -4.26 115.26 113.93 1pvj n ASN 243 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 1pvj n ASN 243 Cb 0.01 1.75 -0.14 0.00 -1.02 0.00 0.00 39.78 40.38 1pvj n ASN 243 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1pvj n ASN 244 N -2.30 0.89 -4.55 6.41 3.02 0.12 -4.56 115.26 114.30 1pvj n ASN 244 Ca -0.09 0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 54.38 1pvj n ASN 244 Cb 0.64 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.79 1pvj n ASN 244 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pvj s ILE 245 N -2.58 4.26 0.89 2.41 1.01 -1.04 -4.52 121.20 121.63 1pvj s ILE 245 Ca -0.07 -1.70 -0.12 0.00 0.00 0.00 0.00 60.65 58.76 1pvj s ILE 245 Cb 0.08 -5.08 0.09 0.00 0.01 0.00 0.00 42.46 37.56 1pvj s ILE 245 CO 0.82 -1.90 0.92 0.18 0.00 0.00 0.00 174.94 174.95 1pvj n LEU 246 N 7.95 2.42 0.19 2.97 4.77 -1.26 -4.89 117.00 129.14 1pvj n LEU 246 Ca 0.41 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.97 1pvj n LEU 246 Cb 0.47 -1.39 0.52 0.00 -2.33 0.00 0.00 43.42 40.69 1pvj n LEU 246 CO 0.70 -2.54 0.91 1.55 -1.33 0.00 0.00 177.39 176.68 1pvj h PRO 247 N -1.52 0.00 -1.76 3.23 0.13 -1.88 -3.45 132.00 126.75 1pvj h PRO 247 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1pvj h PRO 247 Cb 1.28 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.20 1pvj h PRO 247 CO 0.40 0.00 0.40 -0.08 -0.23 0.00 0.00 178.00 178.49 1pvj s THR 248 N -3.41 0.00 0.10 1.56 -1.32 -1.26 -1.59 115.64 109.72 1pvj s THR 248 Ca 0.04 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.62 1pvj s THR 248 Cb 0.09 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 1pvj s THR 248 CO 0.50 0.00 -0.25 -0.31 -2.21 0.00 0.00 174.62 172.34 1pvj s TYR 249 N -1.19 2.19 -0.29 9.09 1.51 -1.26 -5.02 117.35 122.39 1pvj s TYR 249 Ca -0.05 -0.39 0.18 0.00 -1.01 0.00 0.00 57.07 55.79 1pvj s TYR 249 Cb -0.00 -1.23 -0.25 0.00 -0.11 0.00 0.00 41.96 40.37 1pvj s TYR 249 CO 0.05 0.24 0.50 -1.13 -1.11 0.00 0.00 175.55 174.10 1pvj n SER 250 N 1.25 0.90 0.00 2.29 3.41 -1.26 -5.00 113.62 115.21 1pvj n SER 250 Ca -0.18 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1pvj n SER 250 Cb 0.53 1.54 0.00 0.00 -0.26 0.00 0.00 64.21 66.02 1pvj n SER 250 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pvj n GLY 251 N 1.47 0.66 0.71 5.00 0.00 -1.26 -4.94 105.19 106.83 1pvj n GLY 251 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1pvj n GLY 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvj n ARG 252 N -1.74 2.53 -0.76 1.61 1.74 -1.26 -5.02 116.66 113.75 1pvj n ARG 252 Ca 0.00 -2.00 -0.30 0.00 -0.77 0.00 0.00 57.85 54.78 1pvj n ARG 252 Cb 0.00 -1.30 0.19 0.00 -1.02 0.00 0.00 32.46 30.33 1pvj n ARG 252 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1pvj s GLU 253 N -1.01 0.41 0.00 5.56 8.01 -1.26 -5.03 118.70 125.38 1pvj s GLU 253 Ca 0.25 1.14 0.00 0.00 0.01 0.00 0.00 54.97 56.37 1pvj s GLU 253 Cb 0.14 -1.69 0.00 0.00 -4.31 0.00 0.00 34.13 28.27 1pvj s GLU 253 CO 0.18 -2.91 0.00 -1.13 0.01 0.00 0.00 175.26 171.41 1pvj n SER 254 N -4.39 0.00 0.10 -0.19 3.41 -1.26 -4.87 113.62 106.42 1pvj n SER 254 Ca 0.08 -0.11 -0.15 0.00 -0.26 0.00 0.00 58.87 58.42 1pvj n SER 254 Cb 0.53 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 1pvj n SER 254 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1pvj h ASN 255 N 0.00 0.43 -0.06 4.04 4.21 -1.99 -3.18 115.58 119.03 1pvj h ASN 255 Ca 0.00 -0.45 -0.00 0.00 1.21 0.00 0.00 56.30 57.06 1pvj h ASN 255 Cb 0.00 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.06 1pvj h ASN 255 CO 0.00 1.34 0.04 0.58 -1.29 0.00 0.00 177.43 178.09 1pvj h VAL 256 N 0.09 1.04 -0.35 2.81 2.07 -1.98 -0.78 116.25 119.15 1pvj h VAL 256 Ca -0.13 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1pvj h VAL 256 Cb 1.93 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1pvj h VAL 256 CO 0.20 0.04 0.07 1.56 0.02 0.00 0.00 177.57 179.46 1pvj h GLN 257 N 0.05 0.56 -0.33 1.57 7.50 -1.79 -2.41 115.11 120.26 1pvj h GLN 257 Ca 0.02 -0.14 -0.09 0.00 0.50 0.00 0.00 58.65 58.93 1pvj h GLN 257 Cb 0.03 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 1pvj h GLN 257 CO -0.00 0.63 -0.16 0.87 -1.50 0.00 0.00 178.83 178.67 1pvj h LYS 258 N 0.41 0.69 -0.77 1.46 1.57 -1.54 -2.77 116.57 115.62 1pvj h LYS 258 Ca 0.11 -0.30 0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1pvj h LYS 258 Cb 0.33 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 1pvj h LYS 258 CO 0.00 0.90 0.43 1.98 -0.57 0.00 0.00 179.45 182.19 1pvj h MET 259 N 0.46 0.73 0.19 3.15 1.85 -1.17 0.06 114.93 120.21 1pvj h MET 259 Ca 0.07 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1pvj h MET 259 Cb 0.69 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.54 1pvj h MET 259 CO 0.05 0.48 -0.22 0.00 -0.40 0.00 0.00 176.91 176.82 1pvj h ALA 260 N 1.41 -0.89 0.08 0.39 0.00 -1.22 -2.37 119.26 116.67 1pvj h ALA 260 Ca 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pvj h ALA 260 Cb 0.29 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pvj h ALA 260 CO -0.22 -0.91 -0.04 0.97 0.00 0.00 0.00 179.25 179.04 1pvj h ILE 261 N -0.42 0.94 -0.62 0.00 6.09 -1.33 -1.83 117.51 120.34 1pvj h ILE 261 Ca -0.02 -0.08 0.18 0.00 -1.37 0.00 0.00 64.86 63.56 1pvj h ILE 261 Cb 0.37 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.64 1pvj h ILE 261 CO -0.05 0.02 0.46 0.77 -3.07 0.00 0.00 178.15 176.28 1pvj h SER 262 N -0.15 0.00 0.41 2.19 4.64 -1.03 0.12 113.55 119.74 1pvj h SER 262 Ca -0.01 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 1pvj h SER 262 Cb 0.12 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1pvj h SER 262 CO 0.02 0.00 -1.28 -0.08 -0.87 0.00 0.00 176.83 174.62 1pvj h GLU 263 N 0.00 0.42 0.77 4.77 4.81 -1.12 -1.72 114.58 122.52 1pvj h GLU 263 Ca 0.29 -0.66 -0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1pvj h GLU 263 Cb 1.20 0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.83 1pvj h GLU 263 CO -0.00 1.30 -0.37 1.25 -0.73 0.00 0.00 179.01 180.46 1pvj h LEU 264 N 0.15 -0.87 -1.38 1.64 5.85 0.02 -2.25 115.31 118.46 1pvj h LEU 264 Ca -0.17 0.03 0.22 0.00 0.84 0.00 0.00 57.88 58.80 1pvj h LEU 264 Cb 1.98 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 43.15 1pvj h LEU 264 CO 0.23 -0.61 0.63 0.24 -0.34 0.00 0.00 178.44 178.58 1pvj h MET 265 N -1.05 0.45 -0.26 1.25 2.86 -1.19 -1.27 114.93 115.71 1pvj h MET 265 Ca -0.11 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.31 1pvj h MET 265 Cb 0.80 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1pvj h MET 265 CO 0.17 0.29 -0.60 0.00 1.06 0.00 0.00 176.91 177.84 1pvj h ALA 266 N 1.61 0.43 -0.31 6.32 0.00 -1.07 -2.42 119.26 123.81 1pvj h ALA 266 Ca 0.53 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1pvj h ALA 266 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1pvj h ALA 266 CO -0.25 0.68 -0.29 -0.44 0.00 0.00 0.00 179.25 178.95 1pvj h ASP 267 N 0.65 0.80 -0.31 0.00 3.32 -0.67 -2.46 116.42 117.75 1pvj h ASP 267 Ca -0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1pvj h ASP 267 Cb 1.22 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1pvj h ASP 267 CO 0.13 1.10 0.11 0.58 -1.72 0.00 0.00 179.24 179.44 1pvj h VAL 268 N 0.51 1.19 -0.88 -1.35 2.07 -1.38 -0.23 116.25 116.19 1pvj h VAL 268 Ca 0.05 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1pvj h VAL 268 Cb 0.87 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1pvj h VAL 268 CO 0.07 0.21 0.57 1.23 0.02 0.00 0.00 177.57 179.67 1pvj h GLY 269 N 0.35 1.25 0.88 2.17 0.00 -1.41 -1.72 103.07 104.58 1pvj h GLY 269 Ca 0.10 -0.36 -0.20 0.00 0.00 0.00 0.00 47.33 46.87 1pvj h GLY 269 CO -0.01 0.21 -0.81 -2.22 0.00 0.00 0.00 176.54 173.72 1pvj h ILE 270 N 0.88 1.41 -0.17 2.60 2.04 -1.09 -0.81 117.51 122.37 1pvj h ILE 270 Ca 0.40 -2.27 0.05 0.00 1.00 0.00 0.00 64.86 64.04 1pvj h ILE 270 Cb 0.38 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1pvj h ILE 270 CO -0.17 0.66 0.44 0.77 0.00 0.00 0.00 178.15 179.86 1pvj h SER 271 N -0.05 0.00 -0.31 1.72 4.64 -0.20 0.43 113.55 119.77 1pvj h SER 271 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1pvj h SER 271 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1pvj h SER 271 CO 0.16 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.45 1pvj n VAL 272 N -3.15 2.18 -3.23 0.95 0.24 -0.74 -4.76 118.33 109.81 1pvj n VAL 272 Ca 0.02 -1.72 -0.23 0.00 -2.04 0.00 0.00 64.34 60.37 1pvj n VAL 272 Cb 0.54 -0.16 0.03 0.00 -1.47 0.00 0.00 33.84 32.77 1pvj n VAL 272 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1pvj n ASP 273 N -0.24 -5.50 -4.66 -1.34 10.43 0.15 -4.46 116.55 110.93 1pvj n ASP 273 Ca 0.21 -0.38 -0.59 0.00 2.57 0.00 0.00 54.79 56.60 1pvj n ASP 273 Cb 0.87 -4.44 -0.08 0.00 1.84 0.00 0.00 41.12 39.32 1pvj n ASP 273 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 1pvj n MET 274 N -4.12 0.70 -2.86 -1.24 0.00 -0.32 -4.87 117.12 104.40 1pvj n MET 274 Ca -0.06 0.25 -0.43 0.00 -0.00 0.00 0.00 57.70 57.46 1pvj n MET 274 Cb 0.59 -1.86 -0.03 0.00 0.00 0.00 0.00 33.22 31.92 1pvj n MET 274 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1pvj s ASP 275 N 2.23 6.40 0.29 6.12 2.15 0.99 -4.92 116.67 129.92 1pvj s ASP 275 Ca 0.96 -1.49 -0.29 0.00 0.43 0.00 0.00 52.55 52.16 1pvj s ASP 275 Cb -1.18 -2.42 -0.10 0.00 -0.30 0.00 0.00 42.92 38.92 1pvj s ASP 275 CO 0.64 -1.28 1.13 -0.31 -0.17 0.00 0.00 175.17 175.18 1pvj s TYR 276 N 3.53 3.49 0.00 -5.34 1.51 -1.26 -1.98 117.35 117.30 1pvj s TYR 276 Ca 0.29 1.66 0.00 0.00 -1.01 0.00 0.00 57.07 58.00 1pvj s TYR 276 Cb -0.10 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.41 1pvj s TYR 276 CO -0.00 -0.74 0.00 0.41 -1.11 0.00 0.00 175.55 174.11 1pvj n GLY 277 N 1.11 1.03 0.46 0.71 0.00 -1.26 -4.83 105.19 102.41 1pvj n GLY 277 Ca -0.01 -0.82 0.27 0.00 0.00 0.00 0.00 46.02 45.46 1pvj n GLY 277 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pvj h PRO 278 N 0.00 0.00 -4.64 1.61 0.11 -1.94 -1.74 132.00 125.40 1pvj h PRO 278 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 1pvj h PRO 278 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 1pvj h PRO 278 CO 0.00 0.00 -0.71 -1.54 -0.21 0.00 0.00 178.00 175.54 1pvj s SER 279 N -4.94 1.07 -0.05 -2.05 1.04 -1.26 -4.27 113.70 103.23 1pvj s SER 279 Ca -0.04 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1pvj s SER 279 Cb 0.18 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1pvj s SER 279 CO 0.63 -0.37 -0.07 -0.44 0.98 0.00 0.00 173.24 173.97 1pvj s SER 280 N -2.55 1.24 0.22 7.02 0.01 -1.26 -4.70 113.70 113.69 1pvj s SER 280 Ca 0.05 -0.18 0.11 0.00 1.31 0.00 0.00 55.95 57.24 1pvj s SER 280 Cb 0.00 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.61 1pvj s SER 280 CO -0.03 -0.04 -0.22 -0.83 0.41 0.00 0.00 173.24 172.54 1pvj s GLY 281 N 0.90 1.75 0.06 3.44 0.00 -0.84 -3.94 107.32 108.70 1pvj s GLY 281 Ca -0.11 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 42.86 1pvj s GLY 281 CO 0.01 -1.78 0.03 -0.45 0.00 0.00 0.00 173.10 170.91 1pvj s SER 282 N -3.01 0.39 0.41 1.64 0.15 -1.26 -0.01 113.70 112.01 1pvj s SER 282 Ca 0.24 -0.93 0.09 0.00 0.70 0.00 0.00 55.95 56.05 1pvj s SER 282 Cb -0.06 0.24 0.90 0.00 -1.71 0.00 0.00 66.02 65.38 1pvj s SER 282 CO 0.12 -0.64 2.01 0.00 1.20 0.00 0.00 173.24 175.92 1pvj h ALA 283 N 3.04 1.83 0.00 5.45 0.00 -1.91 0.47 119.26 128.13 1pvj h ALA 283 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pvj h ALA 283 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1pvj h ALA 283 CO 0.63 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1pvj n GLY 284 N -1.49 0.94 0.18 0.00 0.00 -1.26 -3.47 105.19 100.09 1pvj n GLY 284 Ca 0.07 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 1pvj n GLY 284 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pvj n SER 285 N 1.52 -0.32 0.22 1.61 7.64 -1.26 -0.51 113.62 122.52 1pvj n SER 285 Ca 0.00 0.81 0.06 0.00 1.01 0.00 0.00 58.87 60.74 1pvj n SER 285 Cb 0.00 -0.18 0.51 0.00 -1.01 0.00 0.00 64.21 63.53 1pvj n SER 285 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1pvj h SER 286 N 0.00 0.00 0.14 6.43 4.64 -1.96 -0.20 113.55 122.59 1pvj h SER 286 Ca 0.15 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.17 1pvj h SER 286 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1pvj h SER 286 CO -0.46 0.19 -1.54 0.03 -0.87 0.00 0.00 176.83 174.18 1pvj h ARG 287 N 0.00 0.29 -0.43 4.77 2.47 -1.15 -3.29 114.38 117.04 1pvj h ARG 287 Ca -0.00 -0.50 0.05 0.00 -1.26 0.00 0.00 59.98 58.27 1pvj h ARG 287 Cb 0.35 0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 1pvj h ARG 287 CO 0.03 1.24 0.18 0.28 0.56 0.00 0.00 179.97 182.25 1pvj h VAL 288 N -0.16 0.90 -0.42 2.04 2.07 -0.83 0.38 116.25 120.24 1pvj h VAL 288 Ca -0.32 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 1pvj h VAL 288 Cb 1.88 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1pvj h VAL 288 CO 0.10 0.07 -0.27 0.06 0.02 0.00 0.00 177.57 177.54 1pvj h GLN 289 N 0.36 0.89 -0.05 1.57 -0.00 -1.21 -1.80 115.11 114.87 1pvj h GLN 289 Ca 0.20 -0.40 -0.15 0.00 -0.00 0.00 0.00 58.65 58.30 1pvj h GLN 289 Cb 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.61 1pvj h GLN 289 CO -0.18 1.05 -0.65 -0.09 -0.00 0.00 0.00 178.83 178.96 1pvj h ARG 290 N 0.76 0.20 0.12 0.06 2.43 -1.55 -3.25 114.38 113.15 1pvj h ARG 290 Ca 0.09 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1pvj h ARG 290 Cb 0.83 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1pvj h ARG 290 CO 0.07 0.78 -0.06 0.00 -1.51 0.00 0.00 179.97 179.25 1pvj h ALA 291 N 1.18 -0.17 -0.93 2.80 0.00 -0.13 -2.09 119.26 119.93 1pvj h ALA 291 Ca -0.01 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 54.88 1pvj h ALA 291 Cb 1.17 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1pvj h ALA 291 CO 0.10 -0.34 0.61 -0.07 0.00 0.00 0.00 179.25 179.55 1pvj h LEU 292 N -0.67 0.42 0.00 0.00 3.38 -1.41 0.14 115.31 117.18 1pvj h LEU 292 Ca -0.02 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1pvj h LEU 292 Cb 0.51 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1pvj h LEU 292 CO 0.03 0.16 -0.53 0.11 0.09 0.00 0.00 178.44 178.30 1pvj h LYS 293 N 0.41 0.00 -0.24 1.13 1.57 -1.61 0.59 116.57 118.42 1pvj h LYS 293 Ca 0.49 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.14 1pvj h LYS 293 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1pvj h LYS 293 CO -0.19 0.22 -0.37 0.93 -0.57 0.00 0.00 179.45 179.47 1pvj h GLU 294 N -1.00 0.66 0.05 3.15 5.08 -1.31 -2.62 114.58 118.60 1pvj h GLU 294 Ca -0.06 -0.40 -0.25 0.00 -1.00 0.00 0.00 59.36 57.65 1pvj h GLU 294 Cb 0.58 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1pvj h GLU 294 CO -0.04 1.01 -1.35 -0.91 -1.00 0.00 0.00 179.01 176.73 1pvj h ASN 295 N 0.37 0.15 -0.40 1.42 4.21 -0.90 -3.32 115.58 117.11 1pvj h ASN 295 Ca 0.02 -0.69 0.00 0.00 1.21 0.00 0.00 56.30 56.84 1pvj h ASN 295 Cb 0.96 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 1pvj h ASN 295 CO 0.08 1.56 0.00 0.49 -1.29 0.00 0.00 177.43 178.27 1pvj n PHE 296 N -4.17 0.53 -1.51 1.19 3.01 -0.91 -0.48 117.46 115.11 1pvj n PHE 296 Ca -0.29 -0.26 -0.10 0.00 1.01 0.00 0.00 57.45 57.80 1pvj n PHE 296 Cb 0.78 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.22 1pvj n PHE 296 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pvj n GLY 297 N 1.40 0.85 3.75 1.37 0.00 -0.99 -4.21 105.19 107.37 1pvj n GLY 297 Ca 0.19 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1pvj n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pvj s TYR 298 N -2.40 2.45 0.57 1.61 1.51 0.20 -4.95 117.35 116.34 1pvj s TYR 298 Ca 0.00 1.00 -0.20 0.00 -1.01 0.00 0.00 57.07 56.86 1pvj s TYR 298 Cb 0.00 -3.27 -0.06 0.00 -0.11 0.00 0.00 41.96 38.52 1pvj s TYR 298 CO 0.00 -2.38 1.00 -1.71 -1.11 0.00 0.00 175.55 171.35 1pvj n ASN 299 N -3.82 0.99 0.23 2.29 2.85 0.09 -4.53 115.26 113.36 1pvj n ASN 299 Ca 0.06 0.85 0.16 0.00 -0.11 0.00 0.00 54.58 55.54 1pvj n ASN 299 Cb 0.58 -1.40 0.81 0.00 1.24 0.00 0.00 39.78 41.01 1pvj n ASN 299 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1pvj h GLN 300 N 0.73 0.00 0.00 1.20 1.08 -1.91 -0.67 115.11 115.54 1pvj h GLN 300 Ca -0.48 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 1pvj h GLN 300 Cb 1.35 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1pvj h GLN 300 CO 0.52 0.00 -0.07 0.66 -0.95 0.00 0.00 178.83 178.99 1pvj h SER 301 N 0.00 0.00 -2.33 1.46 4.64 -1.90 -3.42 113.55 112.01 1pvj h SER 301 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1pvj h SER 301 Cb 0.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1pvj h SER 301 CO 0.00 0.07 1.26 -0.69 -0.87 0.00 0.00 176.83 176.60 1pvj s VAL 302 N -3.86 3.01 0.22 0.95 1.01 -0.26 -4.39 120.40 117.08 1pvj s VAL 302 Ca -0.01 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 1pvj s VAL 302 Cb 0.11 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1pvj s VAL 302 CO 0.55 -0.00 0.54 -1.38 0.00 0.00 0.00 175.10 174.81 1pvj s HIS 303 N 4.86 -0.04 0.04 5.22 -3.43 -0.13 -4.95 115.29 116.87 1pvj s HIS 303 Ca 0.90 -0.32 -0.05 0.00 -0.80 0.00 0.00 55.06 54.78 1pvj s HIS 303 Cb -0.42 0.39 -0.05 0.00 -1.43 0.00 0.00 32.58 31.08 1pvj s HIS 303 CO 0.41 -0.97 0.28 -1.14 -2.00 0.00 0.00 174.74 171.32 1pvj s GLN 304 N -3.91 3.56 0.01 -0.38 0.74 -1.26 -1.41 119.66 117.02 1pvj s GLN 304 Ca 0.12 -0.14 0.03 0.00 0.05 0.00 0.00 55.36 55.41 1pvj s GLN 304 Cb -0.02 -3.02 -0.01 0.00 1.10 0.00 0.00 33.01 31.06 1pvj s GLN 304 CO 0.01 0.61 -0.09 0.96 -0.55 0.00 0.00 175.29 176.22 1pvj s ILE 305 N -1.41 0.73 -0.18 -2.34 -4.36 -0.22 -4.96 121.20 108.46 1pvj s ILE 305 Ca 0.31 -0.63 -0.03 0.00 -0.26 0.00 0.00 60.65 60.04 1pvj s ILE 305 Cb -0.13 -0.66 -0.02 0.00 1.25 0.00 0.00 42.46 42.90 1pvj s ILE 305 CO 0.20 0.04 -0.05 0.20 0.24 0.00 0.00 174.94 175.57 1pvj s ASN 306 N -0.66 4.50 0.39 4.36 0.01 -1.26 -1.22 114.94 121.07 1pvj s ASN 306 Ca 0.00 -0.26 0.24 0.00 -0.71 0.00 0.00 52.86 52.13 1pvj s ASN 306 Cb -0.05 -1.74 1.36 0.00 0.41 0.00 0.00 41.25 41.22 1pvj s ASN 306 CO 0.00 0.09 1.59 -0.09 -1.51 0.00 0.00 177.10 177.19 1pvj h ARG 307 N 7.28 0.05 0.00 -0.60 9.65 -1.80 0.50 114.38 129.46 1pvj h ARG 307 Ca -0.34 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1pvj h ARG 307 Cb 1.18 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1pvj h ARG 307 CO 0.60 0.03 0.00 0.41 2.80 0.00 0.00 179.97 183.81 1pvj n GLY 308 N -1.35 -0.79 0.82 2.80 0.00 -1.26 -2.44 105.19 102.97 1pvj n GLY 308 Ca 0.38 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1pvj n GLY 308 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pvj n ASP 309 N -1.13 2.55 -4.35 1.61 8.00 0.18 -4.97 116.55 118.43 1pvj n ASP 309 Ca 0.13 -1.85 -0.18 0.00 0.71 0.00 0.00 54.79 53.60 1pvj n ASP 309 Cb 0.11 -0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.11 1pvj n ASP 309 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pvj s PHE 310 N -2.00 1.66 0.19 1.24 0.40 -1.02 -5.06 117.98 113.39 1pvj s PHE 310 Ca 0.31 -0.71 -0.18 0.00 -0.60 0.00 0.00 56.93 55.75 1pvj s PHE 310 Cb 0.20 -0.87 -0.08 0.00 0.51 0.00 0.00 43.02 42.78 1pvj s PHE 310 CO 0.31 0.21 0.65 -1.54 0.70 0.00 0.00 175.22 175.55 1pvj s SER 311 N -3.32 6.98 0.29 1.36 1.04 -1.26 -4.83 113.70 113.95 1pvj s SER 311 Ca 0.24 1.29 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 1pvj s SER 311 Cb 0.02 -2.37 0.63 0.00 0.10 0.00 0.00 66.02 64.40 1pvj s SER 311 CO 0.07 0.07 1.59 0.50 0.98 0.00 0.00 173.24 176.45 1pvj h LYS 312 N 3.54 0.03 -0.42 4.02 3.64 -1.99 0.50 116.57 125.90 1pvj h LYS 312 Ca -0.48 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.82 1pvj h LYS 312 Cb 1.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1pvj h LYS 312 CO 0.65 0.02 -0.03 1.96 -2.27 0.00 0.00 179.45 179.79 1pvj h GLN 313 N 0.04 0.76 -0.18 1.90 7.50 -1.99 -0.85 115.11 122.28 1pvj h GLN 313 Ca 0.53 -0.26 -0.07 0.00 0.50 0.00 0.00 58.65 59.36 1pvj h GLN 313 Cb 1.03 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.48 1pvj h GLN 313 CO -0.87 0.85 -0.21 -0.44 -1.50 0.00 0.00 178.83 176.66 1pvj h ASP 314 N 0.59 0.31 -0.06 1.46 3.45 -0.99 0.55 116.42 121.73 1pvj h ASP 314 Ca 0.12 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 1pvj h ASP 314 Cb 0.52 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1pvj h ASP 314 CO 0.03 0.54 -0.02 -0.25 -1.57 0.00 0.00 179.24 177.97 1pvj h TRP 315 N 0.29 0.13 -0.80 4.55 2.91 0.07 -2.56 115.95 120.55 1pvj h TRP 315 Ca 0.05 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1pvj h TRP 315 Cb 0.54 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 1pvj h TRP 315 CO 0.01 0.46 0.51 0.93 -1.03 0.00 0.00 178.44 179.32 1pvj h GLU 316 N -0.23 1.08 -0.76 2.65 5.08 -0.90 -2.13 114.58 119.36 1pvj h GLU 316 Ca 0.01 -0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1pvj h GLU 316 Cb 0.42 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1pvj h GLU 316 CO 0.01 0.74 0.50 0.00 -1.00 0.00 0.00 179.01 179.25 1pvj h ALA 317 N 1.27 1.91 -0.40 3.43 0.00 -0.83 0.17 119.26 124.82 1pvj h ALA 317 Ca 0.29 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1pvj h ALA 317 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pvj h ALA 317 CO -0.06 -0.09 0.06 1.96 0.00 0.00 0.00 179.25 181.13 1pvj h GLN 318 N 0.58 0.67 -0.09 0.00 1.08 -0.96 -0.60 115.11 115.78 1pvj h GLN 318 Ca 0.36 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 57.23 1pvj h GLN 318 Cb 0.60 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1pvj h GLN 318 CO -0.13 0.72 -0.50 0.82 -0.95 0.00 0.00 178.83 178.79 1pvj h ILE 319 N 0.52 1.37 -0.77 2.54 2.04 -1.09 -2.38 117.51 119.75 1pvj h ILE 319 Ca 0.12 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.18 1pvj h ILE 319 Cb 0.38 2.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 1pvj h ILE 319 CO 0.01 0.55 0.49 0.44 0.00 0.00 0.00 178.15 179.63 1pvj h ASP 320 N 0.10 0.80 -0.51 1.72 3.32 -0.72 -1.39 116.42 119.72 1pvj h ASP 320 Ca -0.04 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1pvj h ASP 320 Cb 1.15 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1pvj h ASP 320 CO 0.10 0.55 0.34 0.50 -1.72 0.00 0.00 179.24 179.01 1pvj h LYS 321 N 0.94 0.67 -0.44 3.56 3.64 -1.05 0.54 116.57 124.43 1pvj h LYS 321 Ca 0.31 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1pvj h LYS 321 Cb 0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1pvj h LYS 321 CO -0.11 0.44 0.29 0.93 -2.27 0.00 0.00 179.45 178.72 1pvj h GLU 322 N 0.69 0.59 -0.13 1.90 4.39 -0.85 -2.52 114.58 118.65 1pvj h GLU 322 Ca 0.19 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 1pvj h GLU 322 Cb -0.07 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1pvj h GLU 322 CO -0.04 0.40 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.88 1pvj h LEU 323 N 0.59 0.24 -2.32 1.33 3.38 -0.92 -1.07 115.31 116.54 1pvj h LEU 323 Ca 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1pvj h LEU 323 Cb -0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1pvj h LEU 323 CO -0.03 0.50 0.00 0.77 0.09 0.00 0.00 178.44 179.77 1pvj h SER 324 N 0.22 0.00 -0.35 -0.43 4.64 -0.44 -1.12 113.55 116.06 1pvj h SER 324 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1pvj h SER 324 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1pvj h SER 324 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1pvj n GLN 325 N -2.84 3.50 -3.73 4.77 6.02 -0.43 -4.96 117.38 119.72 1pvj n GLN 325 Ca -0.02 -2.94 -0.28 0.00 -0.01 0.00 0.00 57.00 53.76 1pvj n GLN 325 Cb 0.10 -1.97 0.03 0.00 1.02 0.00 0.00 30.24 29.42 1pvj n GLN 325 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pvj n ASN 326 N -0.18 -3.52 -3.65 1.08 3.02 -0.42 -4.96 115.26 106.62 1pvj n ASN 326 Ca 0.23 -0.97 -0.29 0.00 -0.03 0.00 0.00 54.58 53.52 1pvj n ASN 326 Cb 0.98 -3.51 -0.15 0.00 -0.61 0.00 0.00 39.78 36.49 1pvj n ASN 326 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1pvj s GLN 327 N -6.03 0.49 0.98 3.52 -0.21 -1.09 -5.05 119.66 112.28 1pvj s GLN 327 Ca 0.29 -0.85 -0.13 0.00 0.02 0.00 0.00 55.36 54.69 1pvj s GLN 327 Cb -0.10 -1.63 0.10 0.00 1.00 0.00 0.00 33.01 32.38 1pvj s GLN 327 CO 0.85 -1.00 0.61 -2.30 -2.12 0.00 0.00 175.29 171.33 1pvj n PRO 328 N 5.00 -0.70 -4.93 2.91 -0.02 -1.26 -4.06 135.00 131.93 1pvj n PRO 328 Ca -0.03 -0.16 -0.32 0.00 -2.02 0.00 0.00 63.50 60.97 1pvj n PRO 328 Cb 0.42 -2.01 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 1pvj n PRO 328 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pvj s VAL 329 N -2.44 2.01 0.18 -1.45 1.01 -0.18 -4.76 120.40 114.78 1pvj s VAL 329 Ca 0.61 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1pvj s VAL 329 Cb -0.21 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 1pvj s VAL 329 CO 0.64 0.55 1.11 -0.47 0.00 0.00 0.00 175.10 176.93 1pvj s TYR 330 N 0.58 3.57 0.03 5.22 5.04 -1.02 -1.81 117.35 128.96 1pvj s TYR 330 Ca -0.13 1.58 -0.07 0.00 -2.44 0.00 0.00 57.07 56.00 1pvj s TYR 330 Cb -0.17 -3.29 -0.00 0.00 0.35 0.00 0.00 41.96 38.84 1pvj s TYR 330 CO 0.04 -0.68 0.14 -0.47 -1.34 0.00 0.00 175.55 173.24 1pvj s TYR 331 N -0.22 0.12 0.22 4.97 5.04 -0.68 -1.70 117.35 125.10 1pvj s TYR 331 Ca 0.50 -0.35 -0.22 0.00 -2.44 0.00 0.00 57.07 54.56 1pvj s TYR 331 Cb -0.30 -0.08 0.04 0.00 0.35 0.00 0.00 41.96 41.97 1pvj s TYR 331 CO 0.35 -0.38 0.67 1.14 -1.34 0.00 0.00 175.55 175.99 1pvj s GLN 332 N -2.39 1.54 -0.06 4.97 -2.07 -0.78 -0.82 119.66 120.06 1pvj s GLN 332 Ca -0.07 -0.75 0.06 0.00 -1.82 0.00 0.00 55.36 52.79 1pvj s GLN 332 Cb -0.02 0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 32.48 1pvj s GLN 332 CO -0.03 -0.70 -0.25 0.20 -1.32 0.00 0.00 175.29 173.19 1pvj s GLY 333 N -2.84 1.29 -0.03 2.60 0.00 -1.07 -2.46 107.32 104.81 1pvj s GLY 333 Ca 0.06 -1.05 -0.18 0.00 0.00 0.00 0.00 44.72 43.56 1pvj s GLY 333 CO -0.02 -0.65 0.49 0.14 0.00 0.00 0.00 173.10 173.06 1pvj s VAL 334 N -0.17 5.01 0.23 1.40 1.01 -0.59 -1.21 120.40 126.09 1pvj s VAL 334 Ca -0.03 1.01 0.04 0.00 0.00 0.00 0.00 61.98 63.00 1pvj s VAL 334 Cb -0.14 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1pvj s VAL 334 CO 0.04 0.46 0.16 0.61 0.00 0.00 0.00 175.10 176.37 1pvj n GLY 335 N 2.40 3.35 0.00 4.51 0.00 -0.93 -4.66 105.19 109.86 1pvj n GLY 335 Ca -0.10 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1pvj n GLY 335 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pvj n LYS 336 N -0.47 0.00 0.00 1.61 3.00 -1.26 -2.66 118.16 118.38 1pvj n LYS 336 Ca 0.03 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1pvj n LYS 336 Cb 0.40 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.03 1pvj n LYS 336 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1pvj n VAL 337 N -1.81 0.00 0.00 3.15 0.24 -1.26 -4.87 118.33 113.78 1pvj n VAL 337 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1pvj n VAL 337 Cb 0.00 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 1pvj n VAL 337 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pvj n GLY 338 N -0.56 0.24 3.65 7.63 0.00 -1.09 -4.41 105.19 110.65 1pvj n GLY 338 Ca 0.00 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 1pvj n GLY 338 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pvj s GLY 339 N 0.00 1.75 -1.31 -0.02 0.00 0.16 -2.19 107.32 105.71 1pvj s GLY 339 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.56 1pvj s GLY 339 CO 0.00 1.90 1.89 1.42 0.00 0.00 0.00 173.10 178.32 1pvj n HIS 340 N 6.08 3.32 -1.85 1.90 8.25 -0.35 -4.70 115.22 127.87 1pvj n HIS 340 Ca 0.07 -2.88 -0.30 0.00 -0.26 0.00 0.00 57.72 54.35 1pvj n HIS 340 Cb 0.47 -2.11 0.06 0.00 1.12 0.00 0.00 29.99 29.54 1pvj n HIS 340 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pvj s ALA 341 N 1.16 2.75 0.09 -1.41 0.00 -1.26 -2.61 121.76 120.48 1pvj s ALA 341 Ca 0.42 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 1pvj s ALA 341 Cb 0.09 -3.02 0.05 0.00 0.00 0.00 0.00 23.12 20.24 1pvj s ALA 341 CO -0.01 -1.35 0.64 1.97 0.00 0.00 0.00 175.76 177.01 1pvj n PHE 342 N -3.14 -0.90 -4.99 0.00 1.16 0.00 -4.80 117.46 104.79 1pvj n PHE 342 Ca 0.07 -0.70 -0.28 0.00 -1.87 0.00 0.00 57.45 54.67 1pvj n PHE 342 Cb 0.58 0.34 -0.16 0.00 -1.61 0.00 0.00 39.48 38.63 1pvj n PHE 342 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1pvj s VAL 343 N -2.23 1.65 -0.25 1.97 1.01 -1.08 -1.69 120.40 119.79 1pvj s VAL 343 Ca 0.14 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1pvj s VAL 343 Cb -0.01 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1pvj s VAL 343 CO 0.03 0.47 0.06 -0.63 0.00 0.00 0.00 175.10 175.03 1pvj s ILE 344 N -0.04 4.19 -0.04 2.22 1.01 -0.75 -1.30 121.20 126.48 1pvj s ILE 344 Ca -0.04 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1pvj s ILE 344 Cb -0.12 -2.97 0.17 0.00 0.01 0.00 0.00 42.46 39.54 1pvj s ILE 344 CO 0.03 0.32 1.08 -0.90 0.00 0.00 0.00 174.94 175.47 1pvj n ASP 345 N 4.91 0.78 -3.16 3.58 5.75 -0.25 -1.00 116.55 127.15 1pvj n ASP 345 Ca -0.16 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.27 1pvj n ASP 345 Cb 0.51 -0.29 0.01 0.00 -1.03 0.00 0.00 41.12 40.33 1pvj n ASP 345 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pvj n GLY 346 N -0.27 0.48 3.64 6.12 0.00 -1.25 0.40 105.19 114.30 1pvj n GLY 346 Ca 0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 1pvj n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvj s ALA 347 N -1.85 -1.94 -2.00 4.61 0.00 0.67 -1.78 121.76 119.47 1pvj s ALA 347 Ca 0.22 2.02 0.19 0.00 0.00 0.00 0.00 51.96 54.40 1pvj s ALA 347 Cb -0.01 -1.39 1.16 0.00 0.00 0.00 0.00 23.12 22.87 1pvj s ALA 347 CO 0.02 -0.30 1.74 -0.40 0.00 0.00 0.00 175.76 176.82 1pvj n ASP 348 N 2.76 0.00 0.00 0.00 5.75 -0.71 -1.18 116.55 123.17 1pvj n ASP 348 Ca -0.14 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1pvj n ASP 348 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1pvj n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pvj n GLY 349 N 0.79 2.07 2.15 6.12 0.00 -1.19 -4.73 105.19 110.40 1pvj n GLY 349 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1pvj n GLY 349 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvj n ARG 350 N -0.89 2.32 -1.88 1.61 1.74 -1.26 -4.52 116.66 113.79 1pvj n ARG 350 Ca 0.00 -2.70 -0.10 0.00 -0.77 0.00 0.00 57.85 54.28 1pvj n ARG 350 Cb 0.00 -2.06 -0.02 0.00 -1.02 0.00 0.00 32.46 29.36 1pvj n ARG 350 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pvj n ASN 351 N -0.62 -3.73 -4.38 0.55 4.13 -1.26 -5.03 115.26 104.92 1pvj n ASN 351 Ca 0.52 0.09 -0.32 0.00 1.68 0.00 0.00 54.58 56.55 1pvj n ASN 351 Cb 0.85 -2.68 -0.15 0.00 -1.54 0.00 0.00 39.78 36.26 1pvj n ASN 351 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1pvj s PHE 352 N -2.47 2.52 0.04 3.10 0.40 -1.26 -4.71 117.98 115.60 1pvj s PHE 352 Ca 0.00 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 1pvj s PHE 352 Cb 0.00 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1pvj s PHE 352 CO 0.00 0.04 -0.02 0.71 0.70 0.00 0.00 175.22 176.65 1pvj s TYR 353 N -0.60 2.98 -0.16 0.36 1.51 0.14 -1.74 117.35 119.85 1pvj s TYR 353 Ca 0.09 -0.00 -0.17 0.00 -1.01 0.00 0.00 57.07 55.98 1pvj s TYR 353 Cb -0.11 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1pvj s TYR 353 CO 0.00 0.45 0.44 -1.58 -1.11 0.00 0.00 175.55 173.75 1pvj s HIS 354 N -1.17 3.45 0.12 2.71 2.46 -0.73 0.12 115.29 122.26 1pvj s HIS 354 Ca 0.22 0.77 0.09 0.00 0.47 0.00 0.00 55.06 56.60 1pvj s HIS 354 Cb -0.11 -2.53 -0.04 0.00 -0.13 0.00 0.00 32.58 29.76 1pvj s HIS 354 CO 0.13 0.10 -0.18 0.08 -2.47 0.00 0.00 174.74 172.40 1pvj s VAL 355 N 0.91 2.86 -0.22 0.89 1.01 0.92 -1.09 120.40 125.68 1pvj s VAL 355 Ca 0.23 -1.51 -0.01 0.00 0.00 0.00 0.00 61.98 60.68 1pvj s VAL 355 Cb -0.15 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 33.97 1pvj s VAL 355 CO 0.09 0.09 -0.01 0.21 0.00 0.00 0.00 175.10 175.48 1pvj s ASN 356 N -2.19 3.48 0.00 3.32 3.84 -0.42 -2.49 114.94 120.48 1pvj s ASN 356 Ca 0.18 -1.06 0.03 0.00 0.21 0.00 0.00 52.86 52.22 1pvj s ASN 356 Cb -0.10 -0.92 0.17 0.00 -0.55 0.00 0.00 41.25 39.84 1pvj s ASN 356 CO 0.10 -0.28 1.10 0.79 -2.79 0.00 0.00 177.10 176.03 1pvj n TRP 357 N 4.83 0.00 -3.47 0.43 7.02 -1.26 -2.62 117.44 122.38 1pvj n TRP 357 Ca -0.10 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.18 1pvj n TRP 357 Cb 0.45 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.40 1pvj n TRP 357 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1pvj n GLY 358 N 0.54 -0.79 0.35 6.99 0.00 -1.26 -4.90 105.19 106.12 1pvj n GLY 358 Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1pvj n GLY 358 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pvj n TRP 359 N -3.81 0.00 -0.07 1.61 5.03 -1.17 -4.26 117.44 114.78 1pvj n TRP 359 Ca -0.17 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.36 1pvj n TRP 359 Cb 0.64 0.04 0.00 0.00 -1.03 0.00 0.00 31.31 30.96 1pvj n TRP 359 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1pvj n GLY 360 N 0.00 1.53 0.00 6.99 0.00 -0.55 -4.08 105.19 109.09 1pvj n GLY 360 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pvj n GLY 360 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvj n GLY 361 N -2.00 1.20 3.77 -0.02 0.00 -1.26 -4.91 105.19 101.98 1pvj n GLY 361 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1pvj n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvj s VAL 362 N -0.64 2.24 0.00 1.61 0.11 -1.26 -1.59 120.40 120.87 1pvj s VAL 362 Ca 0.00 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1pvj s VAL 362 Cb 0.00 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1pvj s VAL 362 CO 0.00 0.04 0.00 -1.20 -3.33 0.00 0.00 175.10 170.61 1pvj n SER 363 N 0.19 0.00 -4.73 3.54 7.64 0.65 -4.74 113.62 116.17 1pvj n SER 363 Ca 0.03 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.55 1pvj n SER 363 Cb 0.41 -0.60 0.07 0.00 -1.01 0.00 0.00 64.21 63.09 1pvj n SER 363 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1pvj s ASP 364 N -3.17 4.52 0.00 6.43 1.11 -0.62 -4.91 116.67 120.03 1pvj s ASP 364 Ca 0.00 2.57 0.00 0.00 0.18 0.00 0.00 52.55 55.30 1pvj s ASP 364 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1pvj s ASP 364 CO 0.00 -2.06 0.00 0.61 1.18 0.00 0.00 175.17 174.90 1pvj n GLY 365 N 0.81 -0.00 3.72 0.21 0.00 -1.04 -4.82 105.19 104.07 1pvj n GLY 365 Ca 0.15 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1pvj n GLY 365 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pvj s PHE 366 N -3.20 3.40 0.17 1.61 0.40 0.22 -0.05 117.98 120.53 1pvj s PHE 366 Ca 0.00 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.70 1pvj s PHE 366 Cb 0.00 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1pvj s PHE 366 CO 0.00 0.26 -0.04 -0.06 0.70 0.00 0.00 175.22 176.08 1pvj s PHE 367 N 0.45 1.27 -0.08 0.36 0.40 0.12 -0.43 117.98 120.07 1pvj s PHE 367 Ca 0.09 -0.90 -0.12 0.00 -0.60 0.00 0.00 56.93 55.39 1pvj s PHE 367 Cb -0.11 -0.70 -0.05 0.00 0.51 0.00 0.00 43.02 42.66 1pvj s PHE 367 CO -0.01 -0.07 0.29 1.03 0.70 0.00 0.00 175.22 177.16 1pvj s ARG 368 N -3.84 3.83 0.54 0.44 0.52 -0.69 0.28 118.95 120.03 1pvj s ARG 368 Ca 0.21 0.16 0.36 0.00 -0.52 0.00 0.00 55.73 55.94 1pvj s ARG 368 Cb 0.05 -3.26 1.94 0.00 0.52 0.00 0.00 34.95 34.20 1pvj s ARG 368 CO 0.03 0.62 2.09 -0.07 0.02 0.00 0.00 175.30 177.99 1pvj h LEU 369 N 5.24 0.00 -7.12 2.53 3.38 -1.92 -3.44 115.31 113.99 1pvj h LEU 369 Ca -0.50 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.71 1pvj h LEU 369 Cb 1.21 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.81 1pvj h LEU 369 CO 0.63 0.00 0.74 1.51 0.09 0.00 0.00 178.44 181.41 1pvj s ASP 370 N -4.70 -0.15 0.00 -0.43 3.84 -1.26 -5.02 116.67 108.94 1pvj s ASP 370 Ca -0.04 -0.07 0.23 0.00 -0.00 0.00 0.00 52.55 52.67 1pvj s ASP 370 Cb 0.10 0.21 0.24 0.00 -1.38 0.00 0.00 42.92 42.09 1pvj s ASP 370 CO 0.32 -0.37 1.28 0.00 -0.00 0.00 0.00 175.17 176.40 1pvj n ALA 371 N -0.25 2.45 -1.59 2.11 0.00 -1.26 -5.01 120.51 116.96 1pvj n ALA 371 Ca -0.04 -0.75 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 1pvj n ALA 371 Cb 0.60 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 19.27 1pvj n ALA 371 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pvj n LEU 372 N 1.36 2.63 -4.74 0.00 4.32 -1.26 -4.02 117.00 115.29 1pvj n LEU 372 Ca 0.15 0.92 -0.35 0.00 -0.02 0.00 0.00 56.01 56.71 1pvj n LEU 372 Cb 0.59 -1.33 -0.08 0.00 -1.62 0.00 0.00 43.42 40.98 1pvj n LEU 372 CO 0.15 -1.85 -0.20 0.21 -1.22 0.00 0.00 177.39 174.48 1pvj s ASN 373 N -0.96 6.06 -0.89 -1.43 3.84 -1.26 -4.79 114.94 115.51 1pvj s ASN 373 Ca 0.68 0.25 -0.24 0.00 0.21 0.00 0.00 52.86 53.75 1pvj s ASN 373 Cb -0.50 -2.02 -0.19 0.00 -0.55 0.00 0.00 41.25 38.00 1pvj s ASN 373 CO 0.53 0.24 2.21 -2.65 -2.79 0.00 0.00 177.10 174.65 1pvj n PRO 374 N 3.08 0.31 0.00 0.43 -0.02 -1.26 -5.05 135.00 132.49 1pvj n PRO 374 Ca -0.17 -1.12 0.00 0.00 -2.02 0.00 0.00 63.50 60.18 1pvj n PRO 374 Cb 0.53 -3.53 0.00 0.00 -0.02 0.00 0.00 33.50 30.48 1pvj n PRO 374 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvj n GLY 385 N 6.35 -1.53 3.67 -1.23 0.00 -1.26 -5.25 105.19 105.95 1pvj n GLY 385 Ca 0.43 0.86 -0.43 0.00 0.00 0.00 0.00 46.02 46.89 1pvj n GLY 385 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pvj n PHE 386 N 0.00 2.54 0.21 1.61 7.35 -1.26 -4.87 117.46 123.05 1pvj n PHE 386 Ca 0.00 -0.27 0.08 0.00 -0.76 0.00 0.00 57.45 56.50 1pvj n PHE 386 Cb 0.00 -2.77 0.14 0.00 0.35 0.00 0.00 39.48 37.20 1pvj n PHE 386 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1pvj n ASN 387 N 6.76 2.80 -1.24 -2.13 6.94 -1.26 -4.97 115.26 122.16 1pvj n ASN 387 Ca 0.19 -1.82 -0.14 0.00 -0.02 0.00 0.00 54.58 52.79 1pvj n ASN 387 Cb 0.39 -0.16 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1pvj n ASN 387 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pvj n GLY 388 N 0.91 0.97 3.30 4.83 0.00 -1.26 -1.63 105.19 112.30 1pvj n GLY 388 Ca 0.13 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1pvj n GLY 388 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pvj n TYR 389 N -3.01 -1.91 -0.78 1.61 4.02 -1.26 -1.54 117.16 114.28 1pvj n TYR 389 Ca -0.15 0.53 -0.32 0.00 -0.01 0.00 0.00 57.90 57.95 1pvj n TYR 389 Cb 0.51 -3.58 0.15 0.00 -0.02 0.00 0.00 39.34 36.41 1pvj n TYR 389 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1pvj n GLN 390 N -3.93 -0.30 -3.80 -0.72 6.02 -0.65 -3.50 117.38 110.50 1pvj n GLN 390 Ca -0.04 -0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.89 1pvj n GLN 390 Cb 0.57 -2.31 0.00 0.00 1.02 0.00 0.00 30.24 29.52 1pvj n GLN 390 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1pvj s SER 391 N -2.43 -0.10 0.18 1.08 1.04 -1.03 -2.26 113.70 110.18 1pvj s SER 391 Ca 0.67 -0.55 -0.23 0.00 0.48 0.00 0.00 55.95 56.32 1pvj s SER 391 Cb -0.24 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.46 1pvj s SER 391 CO 0.58 -0.99 0.63 0.00 0.98 0.00 0.00 173.24 174.44 1pvj s ALA 392 N -2.81 -1.54 -0.24 5.32 0.00 -0.35 -1.86 121.76 120.28 1pvj s ALA 392 Ca 0.16 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 1pvj s ALA 392 Cb -0.02 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1pvj s ALA 392 CO 0.04 -0.81 -0.07 0.08 0.00 0.00 0.00 175.76 174.99 1pvj s VAL 393 N -3.76 2.88 0.45 0.00 1.01 -0.69 -1.06 120.40 119.24 1pvj s VAL 393 Ca 0.03 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1pvj s VAL 393 Cb -0.02 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1pvj s VAL 393 CO -0.10 0.28 0.02 0.68 0.00 0.00 0.00 175.10 175.98 1pvj s VAL 394 N 1.35 1.69 -0.39 2.92 -7.23 -0.50 -2.45 120.40 115.79 1pvj s VAL 394 Ca 0.02 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1pvj s VAL 394 Cb -0.16 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1pvj s VAL 394 CO -0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1pvj n GLY 395 N -1.11 0.28 3.55 2.32 0.00 -1.26 -0.96 105.19 108.01 1pvj n GLY 395 Ca -0.10 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1pvj n GLY 395 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvj s ILE 396 N -2.21 4.10 0.01 -0.61 1.01 -1.26 -2.32 121.20 119.92 1pvj s ILE 396 Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 60.65 60.98 1pvj s ILE 396 Cb 0.00 -4.69 0.08 0.00 0.01 0.00 0.00 42.46 37.86 1pvj s ILE 396 CO 0.00 -1.34 0.73 -1.59 0.00 0.00 0.00 174.94 172.73 1pvj s LYS 397 N 4.72 1.03 0.00 2.79 -2.85 -1.26 -4.81 119.74 119.36 1pvj s LYS 397 Ca 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 1pvj s LYS 397 Cb -0.09 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1pvj s LYS 397 CO 0.22 -0.39 0.26 -2.30 0.10 0.00 0.00 175.35 173.24