#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pvn s LYS 3 N 0.00 2.93 0.43 0.00 2.20 -1.26 -5.12 119.74 118.92 1pvn s LYS 3 Ca 0.00 -0.55 0.05 0.00 -0.36 0.00 0.00 55.97 55.10 1pvn s LYS 3 Cb 0.00 -2.64 -0.06 0.00 -1.51 0.00 0.00 37.83 33.62 1pvn s LYS 3 CO 0.00 0.57 0.02 0.71 -0.36 0.00 0.00 175.35 176.28 1pvn s TYR 4 N -0.55 2.25 0.20 4.03 1.51 -1.26 -5.16 117.35 118.37 1pvn s TYR 4 Ca 0.08 -0.80 0.10 0.00 -1.01 0.00 0.00 57.07 55.43 1pvn s TYR 4 Cb -0.12 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1pvn s TYR 4 CO 0.02 0.32 -0.19 0.71 -1.11 0.00 0.00 175.55 175.30 1pvn s TYR 5 N -2.83 1.98 0.08 2.71 1.51 -1.26 -5.05 117.35 114.49 1pvn s TYR 5 Ca 0.26 -0.44 0.18 0.00 -1.01 0.00 0.00 57.07 56.05 1pvn s TYR 5 Cb 0.07 -0.94 0.49 0.00 -0.11 0.00 0.00 41.96 41.47 1pvn s TYR 5 CO 0.13 0.45 1.64 -0.91 -1.11 0.00 0.00 175.55 175.75 1pvn h ASN 6 N 2.91 0.00 -4.53 2.29 2.35 -2.09 -3.45 115.58 113.06 1pvn h ASN 6 Ca -0.42 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.03 1pvn h ASN 6 Cb 1.22 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.40 1pvn h ASN 6 CO 0.54 0.43 -0.73 -1.61 -1.65 0.00 0.00 177.43 174.41 1pvn s GLU 7 N -3.40 0.75 0.66 0.81 0.41 -1.26 -5.15 118.70 111.53 1pvn s GLU 7 Ca 0.01 -1.05 -0.11 0.00 -0.41 0.00 0.00 54.97 53.41 1pvn s GLU 7 Cb 0.10 -0.45 -0.01 0.00 -1.78 0.00 0.00 34.13 31.99 1pvn s GLU 7 CO 0.70 0.07 1.05 -1.25 -0.49 0.00 0.00 175.26 175.34 1pvn s PRO 8 N -2.50 3.21 0.49 0.39 0.04 -1.26 -5.04 135.00 130.33 1pvn s PRO 8 Ca 0.01 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 61.70 1pvn s PRO 8 Cb -0.04 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1pvn s PRO 8 CO -0.00 -0.86 0.93 0.00 0.04 0.00 0.00 177.00 177.11 1pvn s HIS 10 N -2.56 1.64 0.29 0.00 3.76 -1.26 -4.80 115.29 112.35 1pvn s HIS 10 Ca 0.57 -1.08 0.04 0.00 -0.15 0.00 0.00 55.06 54.45 1pvn s HIS 10 Cb -0.10 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.57 1pvn s HIS 10 CO 0.31 -0.19 0.22 -0.08 -0.85 0.00 0.00 174.74 174.14 1pvn s THR 11 N -3.58 0.04 0.18 1.30 -1.32 -1.26 -2.22 115.64 108.78 1pvn s THR 11 Ca 0.35 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.72 1pvn s THR 11 Cb 0.08 -2.50 0.22 0.00 -1.51 0.00 0.00 72.50 68.79 1pvn s THR 11 CO 0.13 0.00 1.14 0.49 -2.21 0.00 0.00 174.62 174.17 1pvn n PHE 12 N -0.52 0.09 0.25 9.09 0.99 -1.26 -1.23 117.46 124.87 1pvn n PHE 12 Ca 0.05 0.91 0.15 0.00 -0.00 0.00 0.00 57.45 58.55 1pvn n PHE 12 Cb 0.64 -0.82 0.79 0.00 -1.00 0.00 0.00 39.48 39.09 1pvn n PHE 12 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1pvn h ASN 13 N 0.00 0.00 -0.05 4.37 -0.26 -1.98 -1.63 115.58 116.03 1pvn h ASN 13 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1pvn h ASN 13 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1pvn h ASN 13 CO -0.74 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 175.01 1pvn n GLU 14 N -2.61 1.67 -4.42 0.81 1.02 -0.36 -4.94 120.64 111.81 1pvn n GLU 14 Ca -0.02 -0.98 -0.25 0.00 -0.02 0.00 0.00 57.16 55.89 1pvn n GLU 14 Cb 0.17 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 1pvn n GLU 14 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1pvn s TYR 15 N -1.95 2.37 0.01 -0.32 1.51 -0.62 0.15 117.35 118.50 1pvn s TYR 15 Ca 0.37 -0.32 -0.08 0.00 -1.01 0.00 0.00 57.07 56.03 1pvn s TYR 15 Cb 0.20 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1pvn s TYR 15 CO 0.32 0.61 0.16 -0.51 -1.11 0.00 0.00 175.55 175.01 1pvn s LEU 16 N -3.13 1.48 -0.12 -1.29 1.43 -0.81 -4.95 118.68 111.29 1pvn s LEU 16 Ca 0.26 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1pvn s LEU 16 Cb -0.07 0.78 -0.05 0.00 0.03 0.00 0.00 46.19 46.89 1pvn s LEU 16 CO 0.13 -0.43 0.21 -0.76 0.23 0.00 0.00 176.35 175.73 1pvn s LEU 17 N -1.61 4.35 -0.33 1.79 1.43 -1.26 -1.72 118.68 121.32 1pvn s LEU 17 Ca -0.12 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 1pvn s LEU 17 Cb -0.05 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1pvn s LEU 17 CO 0.00 0.30 0.22 -0.63 0.23 0.00 0.00 176.35 176.48 1pvn s ILE 18 N -0.54 5.15 0.42 -0.59 1.01 0.01 -5.00 121.20 121.66 1pvn s ILE 18 Ca 0.15 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1pvn s ILE 18 Cb -0.13 -3.64 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 1pvn s ILE 18 CO 0.04 0.01 1.02 -2.65 0.00 0.00 0.00 174.94 173.37 1pvn n PRO 19 N 5.08 1.37 -0.30 2.79 -0.02 -1.26 -4.29 135.00 138.36 1pvn n PRO 19 Ca -0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1pvn n PRO 19 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1pvn n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvn n GLY 20 N 1.17 4.26 3.70 -1.23 0.00 -1.13 -4.98 105.19 106.98 1pvn n GLY 20 Ca 0.09 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1pvn n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pvn s LEU 21 N 0.00 4.34 -0.28 0.99 2.96 -1.26 -4.66 118.68 120.77 1pvn s LEU 21 Ca 0.00 1.94 -0.10 0.00 -0.22 0.00 0.00 54.13 55.76 1pvn s LEU 21 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1pvn s LEU 21 CO 0.00 -0.50 0.15 -0.44 -1.32 0.00 0.00 176.35 174.23 1pvn s SER 22 N 1.21 5.63 0.67 3.68 0.01 -1.26 -3.88 113.70 119.76 1pvn s SER 22 Ca 0.58 -0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 1pvn s SER 22 Cb -0.28 -2.03 0.05 0.00 0.21 0.00 0.00 66.02 63.97 1pvn s SER 22 CO 0.27 -0.08 0.96 0.42 0.41 0.00 0.00 173.24 175.22 1pvn s THR 23 N 1.68 2.49 0.56 1.44 -4.23 -1.26 -4.94 115.64 111.39 1pvn s THR 23 Ca 0.06 -0.31 0.40 0.00 -1.18 0.00 0.00 61.69 60.67 1pvn s THR 23 Cb -0.16 -3.05 0.42 0.00 1.34 0.00 0.00 72.50 71.05 1pvn s THR 23 CO 0.08 -0.05 2.29 -0.37 -0.54 0.00 0.00 174.62 176.02 1pvn h VAL 24 N -0.44 0.11 -0.01 2.29 -1.51 -2.02 -0.64 116.25 114.04 1pvn h VAL 24 Ca -0.44 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1pvn h VAL 24 Cb 1.31 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1pvn h VAL 24 CO 0.59 0.01 -0.08 -0.90 -1.23 0.00 0.00 177.57 175.95 1pvn n ASP 25 N -3.22 0.93 -3.77 4.19 5.68 -1.26 -4.52 116.55 114.58 1pvn n ASP 25 Ca -0.02 -1.07 -0.42 0.00 -0.50 0.00 0.00 54.79 52.78 1pvn n ASP 25 Cb 0.12 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1pvn n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pvn s ILE 27 N 2.37 3.95 0.39 0.00 1.01 -1.26 -4.84 121.20 122.82 1pvn s ILE 27 Ca 0.45 -0.37 0.17 0.00 0.00 0.00 0.00 60.65 60.90 1pvn s ILE 27 Cb 0.13 -2.67 0.38 0.00 0.01 0.00 0.00 42.46 40.30 1pvn s ILE 27 CO -0.06 0.56 1.77 -0.65 0.00 0.00 0.00 174.94 176.55 1pvn h PRO 28 N 5.78 0.41 0.00 2.79 0.11 -1.91 0.17 132.00 139.35 1pvn h PRO 28 Ca -0.42 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pvn h PRO 28 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1pvn h PRO 28 CO 0.57 0.27 -0.02 0.66 -0.21 0.00 0.00 178.00 179.27 1pvn h SER 29 N 0.42 0.00 0.08 -2.05 4.64 -1.95 -2.34 113.55 112.34 1pvn h SER 29 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1pvn h SER 29 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1pvn h SER 29 CO -0.32 0.02 -0.11 0.59 -0.87 0.00 0.00 176.83 176.14 1pvn n ASN 30 N -3.15 1.45 -4.71 4.97 3.02 0.58 -4.92 115.26 112.49 1pvn n ASN 30 Ca -0.01 -1.31 -0.42 0.00 -0.03 0.00 0.00 54.58 52.81 1pvn n ASN 30 Cb 0.25 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1pvn n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pvn s VAL 31 N -2.20 4.19 -0.32 2.41 1.01 -0.88 -4.91 120.40 119.69 1pvn s VAL 31 Ca 0.32 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.77 1pvn s VAL 31 Cb 0.20 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1pvn s VAL 31 CO 0.41 0.11 0.16 0.21 0.00 0.00 0.00 175.10 175.98 1pvn s ASN 32 N 1.10 5.55 -0.06 3.32 2.47 0.71 -4.98 114.94 123.05 1pvn s ASN 32 Ca 0.57 -0.65 0.13 0.00 0.42 0.00 0.00 52.86 53.33 1pvn s ASN 32 Cb -0.28 -1.99 0.49 0.00 -1.45 0.00 0.00 41.25 38.02 1pvn s ASN 32 CO 0.28 -0.24 1.36 0.18 -3.72 0.00 0.00 177.10 174.97 1pvn n LEU 33 N 4.97 3.29 -4.74 3.21 4.32 -1.26 -3.85 117.00 122.94 1pvn n LEU 33 Ca -0.13 -1.66 -0.37 0.00 -0.02 0.00 0.00 56.01 53.83 1pvn n LEU 33 Cb 0.48 -0.45 0.05 0.00 -1.62 0.00 0.00 43.42 41.88 1pvn n LEU 33 CO 0.34 0.61 0.89 -0.44 -1.22 0.00 0.00 177.39 177.57 1pvn s SER 34 N -0.81 4.93 -0.13 -1.43 0.01 -1.18 -3.68 113.70 111.40 1pvn s SER 34 Ca 0.35 2.56 -0.23 0.00 1.31 0.00 0.00 55.95 59.93 1pvn s SER 34 Cb 0.22 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.89 1pvn s SER 34 CO 0.18 -1.78 0.57 0.28 0.41 0.00 0.00 173.24 172.90 1pvn s THR 35 N -1.45 0.01 0.31 1.44 -1.32 -0.84 -4.66 115.64 109.13 1pvn s THR 35 Ca 0.79 -0.08 -0.28 0.00 -1.21 0.00 0.00 61.69 60.91 1pvn s THR 35 Cb -0.35 -0.85 -0.09 0.00 -1.51 0.00 0.00 72.50 69.69 1pvn s THR 35 CO 0.38 -0.04 1.09 -2.16 -2.21 0.00 0.00 174.62 171.68 1pvn s PRO 36 N -0.47 4.53 -0.21 7.08 0.04 -1.26 -0.74 135.00 143.97 1pvn s PRO 36 Ca -0.06 1.75 0.11 0.00 0.04 0.00 0.00 61.00 62.84 1pvn s PRO 36 Cb -0.03 -3.05 -0.21 0.00 0.04 0.00 0.00 34.50 31.25 1pvn s PRO 36 CO 0.04 0.13 -0.05 -0.11 0.04 0.00 0.00 177.00 177.05 1pvn n LEU 37 N 0.92 1.25 -4.31 -3.56 7.94 0.03 -4.80 117.00 114.46 1pvn n LEU 37 Ca 0.00 -0.06 -0.22 0.00 -1.11 0.00 0.00 56.01 54.63 1pvn n LEU 37 Cb 0.46 -0.09 -0.11 0.00 0.53 0.00 0.00 43.42 44.20 1pvn n LEU 37 CO 0.52 0.66 -0.48 0.68 -1.11 0.00 0.00 177.39 177.66 1pvn s VAL 38 N -2.48 1.73 0.56 1.96 -7.23 -1.25 -4.58 120.40 109.11 1pvn s VAL 38 Ca -0.20 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 1pvn s VAL 38 Cb 0.07 -1.75 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1pvn s VAL 38 CO 0.70 -0.28 1.03 2.29 -0.31 0.00 0.00 175.10 178.52 1pvn n LYS 39 N 0.47 1.10 -3.99 4.82 2.85 0.12 -4.59 118.16 118.94 1pvn n LYS 39 Ca -0.15 0.41 -0.09 0.00 -1.05 0.00 0.00 58.31 57.43 1pvn n LYS 39 Cb 0.56 -2.20 -0.06 0.00 -0.65 0.00 0.00 35.03 32.68 1pvn n LYS 39 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1pvn s PHE 40 N -1.44 0.40 0.27 5.58 -0.12 -0.91 -4.74 117.98 117.03 1pvn s PHE 40 Ca 0.73 -0.75 -0.16 0.00 -0.05 0.00 0.00 56.93 56.69 1pvn s PHE 40 Cb -0.44 0.11 -0.09 0.00 -0.63 0.00 0.00 43.02 41.97 1pvn s PHE 40 CO 0.49 -0.92 0.72 -0.65 -0.05 0.00 0.00 175.22 174.81 1pvn s GLN 41 N -4.01 4.09 0.25 1.99 -1.52 -1.26 -0.97 119.66 118.23 1pvn s GLN 41 Ca 0.22 0.72 -0.29 0.00 -1.95 0.00 0.00 55.36 54.06 1pvn s GLN 41 Cb 0.00 -2.63 -0.15 0.00 -0.22 0.00 0.00 33.01 30.02 1pvn s GLN 41 CO 0.07 0.27 1.04 1.17 -0.25 0.00 0.00 175.29 177.59 1pvn n LYS 42 N 0.10 1.27 0.00 2.91 4.81 0.61 -1.00 118.16 126.86 1pvn n LYS 42 Ca 0.01 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1pvn n LYS 42 Cb 0.52 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1pvn n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pvn n GLY 43 N 1.50 2.71 3.65 3.14 0.00 -1.26 -5.01 105.19 109.92 1pvn n GLY 43 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1pvn n GLY 43 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pvn n GLN 44 N -2.00 0.68 -4.19 1.61 6.02 -0.17 -5.14 117.38 114.19 1pvn n GLN 44 Ca 0.00 -3.13 -0.29 0.00 -0.01 0.00 0.00 57.00 53.57 1pvn n GLN 44 Cb 0.00 0.11 -0.09 0.00 1.02 0.00 0.00 30.24 31.28 1pvn n GLN 44 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1pvn s GLN 45 N -4.29 2.33 0.61 -1.09 -0.21 -1.26 -4.84 119.66 110.91 1pvn s GLN 45 Ca 0.41 -1.01 -0.18 0.00 0.02 0.00 0.00 55.36 54.60 1pvn s GLN 45 Cb -0.03 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 1pvn s GLN 45 CO 0.26 0.49 1.16 0.45 -2.12 0.00 0.00 175.29 175.54 1pvn s SER 46 N -2.51 5.22 0.44 5.90 0.15 -1.26 -4.86 113.70 116.78 1pvn s SER 46 Ca 0.25 2.23 0.29 0.00 0.70 0.00 0.00 55.95 59.41 1pvn s SER 46 Cb -0.11 -2.58 1.08 0.00 -1.71 0.00 0.00 66.02 62.70 1pvn s SER 46 CO 0.17 -1.56 1.85 -0.33 1.20 0.00 0.00 173.24 174.57 1pvn h GLU 47 N 0.65 0.00 -3.72 5.44 5.08 -1.85 -3.41 114.58 116.78 1pvn h GLU 47 Ca -0.49 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.40 1pvn h GLU 47 Cb 1.27 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.14 1pvn h GLU 47 CO 0.55 0.00 -0.77 0.42 -1.00 0.00 0.00 179.01 178.21 1pvn s ILE 48 N -3.47 0.48 -0.08 3.13 1.01 -1.26 -5.08 121.20 115.91 1pvn s ILE 48 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1pvn s ILE 48 Cb 0.09 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.86 1pvn s ILE 48 CO 0.53 0.16 -0.20 0.20 0.00 0.00 0.00 174.94 175.63 1pvn s ASN 49 N 1.92 2.64 0.49 3.58 0.01 -1.26 -0.79 114.94 121.52 1pvn s ASN 49 Ca 0.04 -0.47 -0.05 0.00 -0.71 0.00 0.00 52.86 51.67 1pvn s ASN 49 Cb -0.13 -1.14 -0.03 0.00 0.41 0.00 0.00 41.25 40.35 1pvn s ASN 49 CO -0.06 0.13 0.79 -0.76 -1.51 0.00 0.00 177.10 175.69 1pvn s LEU 50 N 0.37 3.60 0.12 0.60 1.43 0.09 -4.89 118.68 120.00 1pvn s LEU 50 Ca -0.15 0.92 0.19 0.00 -1.03 0.00 0.00 54.13 54.05 1pvn s LEU 50 Cb -0.17 -3.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.11 1pvn s LEU 50 CO 0.07 -0.61 0.93 0.11 0.23 0.00 0.00 176.35 177.07 1pvn h LYS 51 N 0.19 0.00 -4.58 1.70 1.57 -1.25 -2.23 116.57 111.98 1pvn h LYS 51 Ca -0.47 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.00 1pvn h LYS 51 Cb 1.21 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.28 1pvn h LYS 51 CO 0.62 0.18 -0.75 0.96 -0.57 0.00 0.00 179.45 179.89 1pvn s ILE 52 N -3.09 0.57 -0.02 1.86 -4.36 -1.07 -3.12 121.20 111.97 1pvn s ILE 52 Ca -0.02 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1pvn s ILE 52 Cb 0.09 -0.57 0.02 0.00 1.25 0.00 0.00 42.46 43.25 1pvn s ILE 52 CO 0.80 -0.15 1.56 -0.81 0.24 0.00 0.00 174.94 176.58 1pvn n PRO 53 N 2.05 1.06 -5.04 0.37 -0.04 -1.24 -4.42 135.00 127.74 1pvn n PRO 53 Ca -0.19 -0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 62.83 1pvn n PRO 53 Cb 0.56 -1.05 -0.16 0.00 -0.04 0.00 0.00 33.50 32.82 1pvn n PRO 53 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pvn s LEU 54 N -0.14 2.37 0.01 1.53 1.43 -1.26 -0.49 118.68 122.13 1pvn s LEU 54 Ca 0.02 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1pvn s LEU 54 Cb 0.02 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1pvn s LEU 54 CO 0.00 0.19 -0.10 0.68 0.23 0.00 0.00 176.35 177.35 1pvn s VAL 55 N 0.17 0.78 0.19 -1.59 -7.23 0.03 -3.24 120.40 109.52 1pvn s VAL 55 Ca -0.11 -0.58 -0.19 0.00 -1.81 0.00 0.00 61.98 59.28 1pvn s VAL 55 Cb -0.16 -0.69 -0.08 0.00 0.56 0.00 0.00 36.38 36.01 1pvn s VAL 55 CO 0.06 0.10 0.68 -0.94 -0.31 0.00 0.00 175.10 174.70 1pvn s SER 56 N -0.54 7.05 0.67 4.85 1.04 -1.05 -1.40 113.70 124.31 1pvn s SER 56 Ca 0.02 1.36 -0.17 0.00 0.48 0.00 0.00 55.95 57.64 1pvn s SER 56 Cb -0.05 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 1pvn s SER 56 CO 0.00 0.09 1.11 0.00 0.98 0.00 0.00 173.24 175.42 1pvn n ALA 57 N 0.92 0.43 -2.10 5.32 0.00 -0.18 -3.36 120.51 121.55 1pvn n ALA 57 Ca -0.04 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1pvn n ALA 57 Cb 0.51 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1pvn n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1pvn n ILE 58 N -2.13 3.78 -4.06 0.00 5.41 -1.26 -3.80 119.36 117.28 1pvn n ILE 58 Ca 0.14 -3.61 -0.13 0.00 1.00 0.00 0.00 62.75 60.15 1pvn n ILE 58 Cb 0.48 -2.50 -0.13 0.00 -0.71 0.00 0.00 39.64 36.79 1pvn n ILE 58 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1pvn s MET 59 N 2.75 0.40 0.28 0.38 -1.94 -1.26 -4.73 119.30 115.18 1pvn s MET 59 Ca 0.47 -0.44 -0.01 0.00 -1.71 0.00 0.00 55.69 53.99 1pvn s MET 59 Cb 0.10 -0.25 0.45 0.00 2.01 0.00 0.00 34.83 37.14 1pvn s MET 59 CO -0.03 0.05 1.90 1.96 -0.01 0.00 0.00 175.02 178.89 1pvn h GLN 60 N 5.27 1.10 -0.27 2.03 4.20 -1.90 -1.42 115.11 124.12 1pvn h GLN 60 Ca -0.31 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1pvn h GLN 60 Cb 1.20 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1pvn h GLN 60 CO 0.45 0.73 0.00 -1.13 -0.67 0.00 0.00 178.83 178.21 1pvn n SER 61 N -4.49 1.30 0.06 1.46 3.41 -1.26 -4.58 113.62 109.52 1pvn n SER 61 Ca 0.15 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1pvn n SER 61 Cb 0.18 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pvn n SER 61 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1pvn n VAL 62 N 0.18 0.28 -2.95 -3.33 0.31 -0.60 -4.48 118.33 107.74 1pvn n VAL 62 Ca 0.08 0.09 -0.44 0.00 -0.01 0.00 0.00 64.34 64.06 1pvn n VAL 62 Cb 0.21 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1pvn n VAL 62 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1pvn n SER 63 N -3.03 5.24 -2.43 4.52 7.64 -0.78 -4.31 113.62 120.48 1pvn n SER 63 Ca 0.00 -2.99 -0.03 0.00 1.01 0.00 0.00 58.87 56.86 1pvn n SER 63 Cb 0.00 -1.56 0.01 0.00 -1.01 0.00 0.00 64.21 61.65 1pvn n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pvn n GLY 64 N 3.95 2.33 0.13 0.23 0.00 -1.26 -3.26 105.19 107.31 1pvn n GLY 64 Ca 0.36 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 1pvn n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pvn h GLU 65 N 0.00 0.37 -0.91 1.61 5.08 -1.92 -1.96 114.58 116.85 1pvn h GLU 65 Ca -0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1pvn h GLU 65 Cb 0.18 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1pvn h GLU 65 CO 0.07 0.25 0.53 0.87 -1.00 0.00 0.00 179.01 179.73 1pvn h LYS 66 N 0.38 1.25 -0.20 2.33 1.57 -1.96 -2.10 116.57 117.83 1pvn h LYS 66 Ca 0.10 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1pvn h LYS 66 Cb -0.04 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1pvn h LYS 66 CO -0.02 0.89 0.04 1.98 -0.57 0.00 0.00 179.45 181.77 1pvn h MET 67 N 1.27 0.33 -0.70 3.15 4.05 -1.50 -1.78 114.93 119.75 1pvn h MET 67 Ca 0.33 -0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.71 1pvn h MET 67 Cb -0.02 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.68 1pvn h MET 67 CO -0.06 0.47 0.42 0.00 0.23 0.00 0.00 176.91 177.97 1pvn h ALA 68 N 0.85 0.94 -0.07 0.39 0.00 -1.09 0.39 119.26 120.66 1pvn h ALA 68 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1pvn h ALA 68 Cb 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pvn h ALA 68 CO 0.00 0.14 -0.02 0.82 0.00 0.00 0.00 179.25 180.19 1pvn h ILE 69 N 0.78 1.30 -0.63 0.00 2.04 -1.34 -1.39 117.51 118.28 1pvn h ILE 69 Ca 0.30 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1pvn h ILE 69 Cb 0.12 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1pvn h ILE 69 CO -0.15 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.62 1pvn h ALA 70 N 0.66 0.80 -0.19 1.87 0.00 -1.05 -0.99 119.26 120.35 1pvn h ALA 70 Ca 0.02 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1pvn h ALA 70 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pvn h ALA 70 CO 0.01 0.30 -0.67 1.25 0.00 0.00 0.00 179.25 180.14 1pvn h LEU 71 N 0.86 0.86 -0.93 0.00 5.85 -0.96 -2.91 115.31 118.06 1pvn h LEU 71 Ca 0.22 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1pvn h LEU 71 Cb 0.01 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1pvn h LEU 71 CO -0.04 1.29 0.57 0.00 -0.34 0.00 0.00 178.44 179.92 1pvn h ALA 72 N 0.71 1.19 -0.31 1.25 0.00 -1.07 -1.02 119.26 120.00 1pvn h ALA 72 Ca -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pvn h ALA 72 Cb 1.27 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1pvn h ALA 72 CO 0.14 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.21 1pvn h ARG 73 N 1.28 0.41 -0.01 0.00 3.08 -1.07 -1.53 114.38 116.55 1pvn h ARG 73 Ca 0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1pvn h ARG 73 Cb -0.06 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1pvn h ARG 73 CO -0.06 0.29 -0.04 0.39 -1.07 0.00 0.00 179.97 179.48 1pvn n GLU 74 N -4.47 1.30 0.00 0.04 -0.58 -0.70 -4.92 120.64 111.31 1pvn n GLU 74 Ca 0.02 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.16 1pvn n GLU 74 Cb 0.08 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1pvn n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pvn n GLY 75 N 1.17 0.65 0.00 0.62 0.00 -0.57 -4.63 105.19 102.42 1pvn n GLY 75 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1pvn n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 76 N -1.28 2.39 3.44 -0.02 0.00 -0.47 -0.78 105.19 108.48 1pvn n GLY 76 Ca 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 1pvn n GLY 76 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pvn s ILE 77 N 2.35 0.01 0.07 -0.61 2.07 -1.20 -4.00 121.20 119.89 1pvn s ILE 77 Ca 0.00 -0.09 0.05 0.00 -1.41 0.00 0.00 60.65 59.20 1pvn s ILE 77 Cb 0.00 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 1pvn s ILE 77 CO 0.00 -0.05 -0.01 -0.44 -1.91 0.00 0.00 174.94 172.53 1pvn s SER 78 N -0.41 4.95 -0.51 4.50 0.01 -1.26 -2.53 113.70 118.44 1pvn s SER 78 Ca -0.06 -0.18 -0.06 0.00 1.31 0.00 0.00 55.95 56.97 1pvn s SER 78 Cb -0.03 -1.17 0.13 0.00 0.21 0.00 0.00 66.02 65.16 1pvn s SER 78 CO 0.04 0.19 0.35 -0.36 0.41 0.00 0.00 173.24 173.87 1pvn s PHE 79 N -1.25 3.50 -0.00 2.43 0.40 -1.21 -0.21 117.98 121.63 1pvn s PHE 79 Ca 0.24 -2.30 -0.38 0.00 -0.60 0.00 0.00 56.93 53.89 1pvn s PHE 79 Cb -0.12 -3.34 -0.17 0.00 0.51 0.00 0.00 43.02 39.90 1pvn s PHE 79 CO 0.16 -0.95 1.41 -0.89 0.70 0.00 0.00 175.22 175.66 1pvn n ILE 80 N 4.35 0.06 -1.73 0.64 2.08 -0.47 -4.16 119.36 120.13 1pvn n ILE 80 Ca -0.00 -0.01 -0.40 0.00 0.56 0.00 0.00 62.75 62.89 1pvn n ILE 80 Cb 0.40 -0.85 0.02 0.00 -0.75 0.00 0.00 39.64 38.46 1pvn n ILE 80 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1pvn n PHE 81 N 3.07 2.44 0.99 1.39 1.16 -1.20 -1.45 117.46 123.86 1pvn n PHE 81 Ca 0.20 0.47 0.12 0.00 -1.87 0.00 0.00 57.45 56.36 1pvn n PHE 81 Cb 0.17 -2.42 0.06 0.00 -1.61 0.00 0.00 39.48 35.68 1pvn n PHE 81 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pvn n GLY 82 N 0.69 0.65 2.41 4.97 0.00 -1.26 -4.61 105.19 108.04 1pvn n GLY 82 Ca 0.06 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1pvn n GLY 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pvn n SER 83 N 0.87 7.96 -3.68 1.61 3.41 -1.26 -4.74 113.62 117.79 1pvn n SER 83 Ca 0.12 -2.75 -0.05 0.00 -0.26 0.00 0.00 58.87 55.94 1pvn n SER 83 Cb 0.55 -1.52 -0.01 0.00 -0.26 0.00 0.00 64.21 62.97 1pvn n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pvn s GLN 84 N 1.48 1.47 0.70 4.33 -2.07 -1.26 -4.97 119.66 119.34 1pvn s GLN 84 Ca 0.63 -0.84 -0.16 0.00 -1.82 0.00 0.00 55.36 53.16 1pvn s GLN 84 Cb 0.17 0.48 0.02 0.00 -1.09 0.00 0.00 33.01 32.60 1pvn s GLN 84 CO -0.07 -0.68 1.25 -1.54 -1.32 0.00 0.00 175.29 172.93 1pvn s SER 85 N -2.99 4.31 0.19 12.60 1.04 -1.26 -4.82 113.70 122.77 1pvn s SER 85 Ca 0.13 2.48 -0.12 0.00 0.48 0.00 0.00 55.95 58.92 1pvn s SER 85 Cb -0.03 -2.60 0.14 0.00 0.10 0.00 0.00 66.02 63.63 1pvn s SER 85 CO 0.05 -2.19 1.82 0.40 0.98 0.00 0.00 173.24 174.30 1pvn h ILE 86 N 0.03 1.05 -0.28 -1.02 2.04 -1.99 -1.50 117.51 115.84 1pvn h ILE 86 Ca -0.49 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1pvn h ILE 86 Cb 1.31 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1pvn h ILE 86 CO 0.51 0.12 0.12 -0.33 0.00 0.00 0.00 178.15 178.57 1pvn h GLU 87 N 0.68 0.26 -0.28 2.37 3.07 -1.99 0.09 114.58 118.78 1pvn h GLU 87 Ca 0.24 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.97 1pvn h GLU 87 Cb 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1pvn h GLU 87 CO -0.11 0.17 -0.30 0.66 -1.40 0.00 0.00 179.01 178.03 1pvn h SER 88 N 0.26 0.59 -0.30 1.42 4.64 -1.86 -1.53 113.55 116.77 1pvn h SER 88 Ca 0.12 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 1pvn h SER 88 Cb 0.06 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1pvn h SER 88 CO -0.10 0.86 -0.17 -0.61 -0.87 0.00 0.00 176.83 175.94 1pvn h GLN 89 N 0.50 0.64 -0.91 4.77 4.15 -0.99 -2.09 115.11 121.18 1pvn h GLN 89 Ca 0.06 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1pvn h GLN 89 Cb 0.76 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 1pvn h GLN 89 CO 0.06 0.88 0.58 0.00 -1.93 0.00 0.00 178.83 178.42 1pvn h ALA 90 N 0.75 1.31 -0.79 3.38 0.00 -0.87 -1.47 119.26 121.57 1pvn h ALA 90 Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1pvn h ALA 90 Cb 0.70 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1pvn h ALA 90 CO 0.05 0.62 0.37 0.00 0.00 0.00 0.00 179.25 180.28 1pvn h ALA 91 N 1.40 1.02 -0.26 0.00 0.00 -1.08 0.17 119.26 120.50 1pvn h ALA 91 Ca 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pvn h ALA 91 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1pvn h ALA 91 CO -0.07 0.60 0.07 0.52 0.00 0.00 0.00 179.25 180.37 1pvn h MET 92 N 1.12 0.41 -0.43 0.00 2.07 -0.66 -0.84 114.93 116.60 1pvn h MET 92 Ca 0.27 -0.10 0.02 0.00 -2.07 0.00 0.00 59.70 57.82 1pvn h MET 92 Cb 0.14 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 29.79 1pvn h MET 92 CO -0.03 0.51 0.25 0.28 1.07 0.00 0.00 176.91 178.99 1pvn h VAL 93 N 0.25 1.05 -0.70 -2.22 2.07 -1.04 -1.96 116.25 113.69 1pvn h VAL 93 Ca 0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1pvn h VAL 93 Cb 0.28 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1pvn h VAL 93 CO 0.00 0.09 0.45 -0.74 0.02 0.00 0.00 177.57 177.39 1pvn h HIS 94 N 0.51 0.90 -0.72 1.57 2.76 -0.80 -0.92 115.15 118.46 1pvn h HIS 94 Ca 0.17 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1pvn h HIS 94 Cb 0.01 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.63 1pvn h HIS 94 CO -0.07 0.59 0.33 0.00 -1.30 0.00 0.00 177.93 177.48 1pvn h ALA 95 N 1.24 1.23 -0.19 5.26 0.00 -0.75 -0.93 119.26 125.11 1pvn h ALA 95 Ca 0.26 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1pvn h ALA 95 Cb -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1pvn h ALA 95 CO -0.05 0.58 -0.27 0.28 0.00 0.00 0.00 179.25 179.79 1pvn h VAL 96 N 1.02 1.34 0.00 0.00 2.07 -0.96 -2.06 116.25 117.66 1pvn h VAL 96 Ca 0.25 -1.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 1pvn h VAL 96 Cb 0.13 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1pvn h VAL 96 CO -0.03 0.45 -0.28 0.11 0.02 0.00 0.00 177.57 177.84 1pvn h LYS 97 N 0.18 0.00 -0.35 1.57 1.79 -0.95 -2.97 116.57 115.84 1pvn h LYS 97 Ca 0.02 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1pvn h LYS 97 Cb 0.84 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 1pvn h LYS 97 CO 0.06 0.28 0.02 0.09 -1.08 0.00 0.00 179.45 178.82 1pvn n ASN 98 N -4.20 4.08 0.02 0.86 4.13 -0.37 -4.66 115.26 115.12 1pvn n ASN 98 Ca -0.02 -3.10 -0.13 0.00 1.68 0.00 0.00 54.58 53.02 1pvn n ASN 98 Cb 0.33 -0.59 -0.08 0.00 -1.54 0.00 0.00 39.78 37.89 1pvn n ASN 98 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1pvn h PHE 99 N 2.08 -0.01 -3.30 3.10 3.57 -1.20 -3.49 116.94 117.69 1pvn h PHE 99 Ca 0.04 -0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.88 1pvn h PHE 99 Cb 1.61 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 40.06 1pvn h PHE 99 CO 0.69 0.24 -0.76 1.03 -2.23 0.00 0.00 178.31 177.28 1pvn s ARG 231 N -5.20 3.27 0.34 1.11 1.81 -1.26 -5.12 118.95 113.89 1pvn s ARG 231 Ca -0.14 -0.68 -0.27 0.00 -1.72 0.00 0.00 55.73 52.91 1pvn s ARG 231 Cb 0.04 -2.87 -0.09 0.00 -0.45 0.00 0.00 34.95 31.58 1pvn s ARG 231 CO 0.66 -0.17 1.09 0.71 -0.68 0.00 0.00 175.30 176.92 1pvn s TYR 232 N 1.36 3.40 0.42 -0.53 4.12 -1.26 -5.03 117.35 119.83 1pvn s TYR 232 Ca 0.04 1.66 -0.21 0.00 0.02 0.00 0.00 57.07 58.58 1pvn s TYR 232 Cb -0.14 -3.25 -0.11 0.00 -1.52 0.00 0.00 41.96 36.94 1pvn s TYR 232 CO -0.05 -0.69 0.94 -0.51 0.02 0.00 0.00 175.55 175.26 1pvn s LEU 233 N -1.98 3.97 -0.22 -1.29 1.02 -1.26 -4.65 118.68 114.28 1pvn s LEU 233 Ca 0.50 1.68 -0.21 0.00 0.02 0.00 0.00 54.13 56.13 1pvn s LEU 233 Cb -0.29 -4.49 0.06 0.00 0.02 0.00 0.00 46.19 41.49 1pvn s LEU 233 CO 0.36 -0.34 0.60 0.54 0.02 0.00 0.00 176.35 177.54 1pvn s VAL 234 N -2.14 0.00 0.50 -1.59 0.11 -1.26 -4.67 120.40 111.35 1pvn s VAL 234 Ca 0.61 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.71 1pvn s VAL 234 Cb -0.10 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1pvn s VAL 234 CO 0.14 -0.00 0.34 -0.83 -3.33 0.00 0.00 175.10 171.42 1pvn s GLY 235 N 0.26 2.37 -0.17 6.54 0.00 0.71 -1.07 107.32 115.96 1pvn s GLY 235 Ca -0.00 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.13 1pvn s GLY 235 CO 0.01 -1.91 0.45 0.00 0.00 0.00 0.00 173.10 171.65 1pvn s ALA 236 N -2.70 -1.13 0.29 3.20 0.00 -0.74 -1.36 121.76 119.32 1pvn s ALA 236 Ca 0.36 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.53 1pvn s ALA 236 Cb -0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 1pvn s ALA 236 CO 0.21 -0.23 0.75 0.20 0.00 0.00 0.00 175.76 176.69 1pvn s GLY 237 N 0.61 2.45 0.25 0.00 0.00 -0.53 -1.88 107.32 108.22 1pvn s GLY 237 Ca -0.03 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.83 1pvn s GLY 237 CO -0.04 0.39 0.06 -0.26 0.00 0.00 0.00 173.10 173.26 1pvn s ILE 238 N -1.82 0.70 0.40 0.90 -4.36 -0.39 -4.16 121.20 112.47 1pvn s ILE 238 Ca 0.50 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.95 1pvn s ILE 238 Cb -0.13 -2.52 -0.07 0.00 1.25 0.00 0.00 42.46 40.99 1pvn s ILE 238 CO 0.19 -0.13 0.02 0.54 0.24 0.00 0.00 174.94 175.80 1pvn s ASN 239 N -3.30 3.58 -0.00 4.36 2.20 -1.26 -1.06 114.94 119.45 1pvn s ASN 239 Ca 0.34 -1.39 0.04 0.00 -0.94 0.00 0.00 52.86 50.91 1pvn s ASN 239 Cb 0.07 -0.27 0.12 0.00 -2.00 0.00 0.00 41.25 39.18 1pvn s ASN 239 CO 0.11 -0.51 1.10 0.35 -2.94 0.00 0.00 177.10 175.21 1pvn n THR 240 N -0.93 0.19 -0.04 0.54 -2.24 -1.26 -3.99 114.28 106.55 1pvn n THR 240 Ca -0.05 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 1pvn n THR 240 Cb 0.67 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1pvn n THR 240 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pvn n ARG 241 N -0.10 0.27 -1.04 -0.78 5.12 -1.26 -4.79 116.66 114.09 1pvn n ARG 241 Ca 0.05 0.11 -0.07 0.00 -1.93 0.00 0.00 57.85 56.01 1pvn n ARG 241 Cb 0.12 -0.97 0.30 0.00 -1.16 0.00 0.00 32.46 30.74 1pvn n ARG 241 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1pvn n ASP 242 N -3.82 4.77 0.16 0.55 5.68 -1.26 -4.62 116.55 118.01 1pvn n ASP 242 Ca -0.16 -3.23 0.11 0.00 -0.50 0.00 0.00 54.79 51.02 1pvn n ASP 242 Cb 0.45 -0.76 0.64 0.00 -1.14 0.00 0.00 41.12 40.31 1pvn n ASP 242 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1pvn h PHE 243 N 2.54 0.04 0.00 2.11 -5.15 -1.87 0.33 116.94 114.95 1pvn h PHE 243 Ca 0.30 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.05 1pvn h PHE 243 Cb 2.38 -0.01 -0.00 0.00 0.22 0.00 0.00 35.95 38.54 1pvn h PHE 243 CO 1.31 0.02 -0.08 0.00 -2.00 0.00 0.00 178.31 177.56 1pvn h ARG 244 N 0.04 0.00 0.00 6.09 3.08 -1.94 -1.06 114.38 120.59 1pvn h ARG 244 Ca 0.09 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.79 1pvn h ARG 244 Cb 0.30 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 1pvn h ARG 244 CO -0.00 0.08 -2.30 0.39 -1.07 0.00 0.00 179.97 177.07 1pvn n GLU 245 N -3.95 0.57 -0.11 0.04 4.71 -0.71 -4.51 120.64 116.69 1pvn n GLU 245 Ca -0.02 0.13 -0.12 0.00 -0.01 0.00 0.00 57.16 57.14 1pvn n GLU 245 Cb 0.17 -1.45 -0.03 0.00 -1.01 0.00 0.00 31.44 29.12 1pvn n GLU 245 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1pvn h ARG 246 N -0.03 0.63 0.11 3.49 2.43 -0.91 -3.15 114.38 116.94 1pvn h ARG 246 Ca -0.51 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 58.41 1pvn h ARG 246 Cb 1.78 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.28 1pvn h ARG 246 CO -0.09 0.83 -0.15 0.28 -1.51 0.00 0.00 179.97 179.33 1pvn h VAL 247 N 0.40 0.66 -0.89 0.20 2.07 -1.42 -1.02 116.25 116.26 1pvn h VAL 247 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1pvn h VAL 247 Cb 0.61 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1pvn h VAL 247 CO 0.04 0.00 0.55 -0.65 0.02 0.00 0.00 177.57 177.53 1pvn h PRO 248 N -0.30 0.94 -0.71 1.57 0.11 -1.77 0.41 132.00 132.26 1pvn h PRO 248 Ca 0.02 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1pvn h PRO 248 Cb 0.31 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 1pvn h PRO 248 CO -0.07 0.62 0.30 0.00 -0.21 0.00 0.00 178.00 178.65 1pvn h ALA 249 N 1.44 0.92 -0.23 -0.75 0.00 -1.44 -0.61 119.26 118.58 1pvn h ALA 249 Ca 0.40 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1pvn h ALA 249 Cb 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pvn h ALA 249 CO -0.20 0.52 -0.61 -0.07 0.00 0.00 0.00 179.25 178.90 1pvn h LEU 250 N 1.01 0.90 -0.45 0.00 3.38 -0.44 -1.19 115.31 118.51 1pvn h LEU 250 Ca 0.24 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1pvn h LEU 250 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1pvn h LEU 250 CO -0.02 1.29 0.16 0.58 0.09 0.00 0.00 178.44 180.54 1pvn h VAL 251 N 0.59 1.21 -0.96 1.22 2.07 -0.81 -1.95 116.25 117.64 1pvn h VAL 251 Ca -0.00 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1pvn h VAL 251 Cb 1.21 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1pvn h VAL 251 CO 0.13 0.25 0.63 -0.08 0.02 0.00 0.00 177.57 178.52 1pvn h GLU 252 N 0.58 1.26 0.00 1.57 4.22 -1.03 -1.33 114.58 119.85 1pvn h GLU 252 Ca 0.15 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1pvn h GLU 252 Cb 0.23 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1pvn h GLU 252 CO -0.01 0.83 0.00 0.00 -2.18 0.00 0.00 179.01 177.65 1pvn h ALA 253 N 1.41 1.00 0.00 2.92 0.00 -0.82 -3.46 119.26 120.31 1pvn h ALA 253 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1pvn h ALA 253 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1pvn h ALA 253 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1pvn n GLY 254 N -0.04 1.12 3.75 0.00 0.00 -0.50 -3.89 105.19 105.62 1pvn n GLY 254 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pvn n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn s ALA 255 N -2.00 3.75 -0.06 4.61 0.00 -0.77 -4.87 121.76 122.41 1pvn s ALA 255 Ca 0.00 1.57 0.13 0.00 0.00 0.00 0.00 51.96 53.66 1pvn s ALA 255 Cb 0.00 -3.65 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1pvn s ALA 255 CO 0.00 -0.98 1.25 -0.44 0.00 0.00 0.00 175.76 175.60 1pvn h ASP 256 N 4.96 0.00 -5.00 0.00 5.19 -1.45 -3.45 116.42 116.66 1pvn h ASP 256 Ca -0.47 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 1pvn h ASP 256 Cb 1.22 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.54 1pvn h ASP 256 CO 0.80 0.69 0.07 0.54 -3.12 0.00 0.00 179.24 178.23 1pvn s VAL 257 N -2.86 0.02 0.38 -1.35 0.11 -1.24 -4.55 120.40 110.90 1pvn s VAL 257 Ca 0.02 -0.13 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1pvn s VAL 257 Cb 0.08 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1pvn s VAL 257 CO 0.78 -0.07 0.03 -0.76 -3.33 0.00 0.00 175.10 171.75 1pvn s LEU 258 N -1.41 2.94 -0.25 2.54 1.43 0.59 -1.78 118.68 122.73 1pvn s LEU 258 Ca -0.10 -1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 51.74 1pvn s LEU 258 Cb -0.01 -1.19 0.10 0.00 0.03 0.00 0.00 46.19 45.12 1pvn s LEU 258 CO 0.06 -0.36 0.58 0.00 0.23 0.00 0.00 176.35 176.86 1pvn s ILE 260 N 2.29 3.44 -0.53 0.00 1.01 -0.58 -1.26 121.20 125.56 1pvn s ILE 260 Ca -0.07 1.01 -0.16 0.00 0.00 0.00 0.00 60.65 61.44 1pvn s ILE 260 Cb -0.10 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.85 1pvn s ILE 260 CO -0.17 0.07 0.49 -0.62 0.00 0.00 0.00 174.94 174.71 1pvn s ASP 261 N 1.20 6.19 -0.05 3.58 2.15 -0.23 -4.47 116.67 125.04 1pvn s ASP 261 Ca 0.64 -1.74 -0.05 0.00 0.43 0.00 0.00 52.55 51.83 1pvn s ASP 261 Cb -0.35 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.07 1pvn s ASP 261 CO 0.30 -0.84 0.14 -0.44 -0.17 0.00 0.00 175.17 174.16 1pvn s SER 262 N 3.50 -0.14 0.07 -0.34 0.01 -1.26 -4.21 113.70 111.32 1pvn s SER 262 Ca 0.03 0.27 -0.22 0.00 1.31 0.00 0.00 55.95 57.34 1pvn s SER 262 Cb -0.29 0.29 -0.12 0.00 0.21 0.00 0.00 66.02 66.10 1pvn s SER 262 CO 0.03 -0.06 1.56 -1.28 0.41 0.00 0.00 173.24 173.90 1pvn h SER 263 N 5.85 0.18 -3.83 2.44 0.87 -1.45 -3.38 113.55 114.23 1pvn h SER 263 Ca -0.25 -0.22 -0.65 0.00 -1.23 0.00 0.00 61.79 59.44 1pvn h SER 263 Cb 1.20 -0.05 -0.40 0.00 -0.44 0.00 0.00 62.40 62.71 1pvn h SER 263 CO 0.42 0.35 -0.70 -0.62 -0.53 0.00 0.00 176.83 175.75 1pvn s ASP 264 N -5.58 4.57 0.00 6.23 2.15 -1.26 -4.78 116.67 118.00 1pvn s ASP 264 Ca -0.14 -2.37 0.27 0.00 0.43 0.00 0.00 52.55 50.75 1pvn s ASP 264 Cb 0.06 -1.57 1.37 0.00 -0.30 0.00 0.00 42.92 42.48 1pvn s ASP 264 CO 0.70 -0.34 1.91 0.61 -0.17 0.00 0.00 175.17 177.88 1pvn n GLY 265 N 3.97 -0.51 3.16 2.66 0.00 -0.58 -4.57 105.19 109.32 1pvn n GLY 265 Ca 0.04 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1pvn n GLY 265 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pvn n PHE 266 N -0.42 4.10 -3.72 1.61 -0.00 -1.26 -4.61 117.46 113.16 1pvn n PHE 266 Ca 0.20 -2.92 -0.11 0.00 -0.00 0.00 0.00 57.45 54.62 1pvn n PHE 266 Cb 0.21 -2.56 -0.06 0.00 -0.00 0.00 0.00 39.48 37.06 1pvn n PHE 266 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1pvn s SER 267 N 3.59 -0.14 0.47 -2.13 1.04 -1.26 -5.01 113.70 110.25 1pvn s SER 267 Ca 0.50 -0.28 0.22 0.00 0.48 0.00 0.00 55.95 56.87 1pvn s SER 267 Cb 0.09 0.40 1.19 0.00 0.10 0.00 0.00 66.02 67.80 1pvn s SER 267 CO -0.00 -0.72 2.00 -0.08 0.98 0.00 0.00 173.24 175.41 1pvn h GLU 268 N 2.84 0.00 -0.98 4.02 4.81 -1.99 -2.32 114.58 120.96 1pvn h GLU 268 Ca -0.33 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1pvn h GLU 268 Cb 1.22 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1pvn h GLU 268 CO 0.48 0.19 0.65 -1.49 -0.73 0.00 0.00 179.01 178.10 1pvn h TRP 269 N 0.00 1.23 -0.18 0.92 4.06 -1.95 0.14 115.95 120.17 1pvn h TRP 269 Ca -0.00 0.03 -0.20 0.00 2.06 0.00 0.00 58.89 60.78 1pvn h TRP 269 Cb 0.41 -0.42 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1pvn h TRP 269 CO 0.00 0.77 -0.67 1.96 -3.56 0.00 0.00 178.44 176.94 1pvn h GLN 270 N 1.32 0.70 -0.82 0.49 4.20 -1.72 -2.09 115.11 117.19 1pvn h GLN 270 Ca 0.36 -0.52 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1pvn h GLN 270 Cb -0.14 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1pvn h GLN 270 CO -0.08 1.14 0.47 -0.22 -0.67 0.00 0.00 178.83 179.46 1pvn h LYS 271 N 0.51 1.13 -0.41 1.46 3.64 -1.18 -0.42 116.57 121.31 1pvn h LYS 271 Ca -0.02 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1pvn h LYS 271 Cb 1.27 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1pvn h LYS 271 CO 0.13 0.82 0.09 0.82 -2.27 0.00 0.00 179.45 179.04 1pvn h ILE 272 N 1.14 1.23 -0.04 2.00 2.04 -0.68 -0.27 117.51 122.93 1pvn h ILE 272 Ca 0.29 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1pvn h ILE 272 Cb 0.00 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1pvn h ILE 272 CO -0.05 0.28 0.02 0.74 0.00 0.00 0.00 178.15 179.15 1pvn h THR 273 N 0.52 1.05 -0.80 -0.27 2.02 -0.96 -1.05 112.91 113.42 1pvn h THR 273 Ca 0.13 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1pvn h THR 273 Cb 0.33 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1pvn h THR 273 CO 0.00 0.04 0.33 0.40 0.37 0.00 0.00 175.52 176.67 1pvn h ILE 274 N -0.00 1.26 -0.93 3.11 2.04 -1.05 -2.35 117.51 119.58 1pvn h ILE 274 Ca 0.01 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1pvn h ILE 274 Cb 0.05 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1pvn h ILE 274 CO -0.00 0.33 0.54 1.23 0.00 0.00 0.00 178.15 180.25 1pvn h GLY 275 N 1.15 1.37 0.92 5.37 0.00 -0.75 -1.16 103.07 109.96 1pvn h GLY 275 Ca 0.27 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1pvn h GLY 275 CO -0.02 0.57 0.08 -0.25 0.00 0.00 0.00 176.54 176.92 1pvn h TRP 276 N 1.29 0.61 -0.53 5.60 7.01 -0.89 -0.26 115.95 128.78 1pvn h TRP 276 Ca 0.33 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.28 1pvn h TRP 276 Cb -0.02 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 1pvn h TRP 276 CO 0.01 0.61 0.33 0.82 -2.79 0.00 0.00 178.44 177.42 1pvn h ILE 277 N 0.43 1.09 -0.66 2.65 2.04 -1.07 -0.38 117.51 121.59 1pvn h ILE 277 Ca 0.11 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1pvn h ILE 277 Cb 0.31 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1pvn h ILE 277 CO 0.00 0.12 0.14 0.03 0.00 0.00 0.00 178.15 178.45 1pvn h ARG 278 N 0.67 1.06 -0.47 2.37 2.47 -1.05 0.40 114.38 119.84 1pvn h ARG 278 Ca 0.21 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1pvn h ARG 278 Cb -0.02 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.14 1pvn h ARG 278 CO -0.08 0.95 0.30 1.49 0.56 0.00 0.00 179.97 183.20 1pvn h GLU 279 N 1.01 0.62 0.05 0.04 4.81 -0.45 0.27 114.58 120.93 1pvn h GLU 279 Ca 0.21 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 59.10 1pvn h GLU 279 Cb 0.38 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1pvn h GLU 279 CO 0.00 0.43 -1.56 0.87 -0.73 0.00 0.00 179.01 178.02 1pvn h LYS 280 N 0.63 0.11 0.00 1.92 1.79 -0.87 -3.41 116.57 116.73 1pvn h LYS 280 Ca 0.17 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1pvn h LYS 280 Cb -0.05 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1pvn h LYS 280 CO -0.04 0.86 0.00 0.66 -1.08 0.00 0.00 179.45 179.85 1pvn n TYR 281 N -3.28 0.00 -4.30 -1.35 4.02 0.14 -5.09 117.16 107.30 1pvn n TYR 281 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1pvn n TYR 281 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 1pvn n TYR 281 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pvn n GLY 282 N 0.35 2.98 0.58 2.72 0.00 0.96 -1.81 105.19 110.96 1pvn n GLY 282 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1pvn n GLY 282 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pvn n ASP 283 N 1.65 1.73 0.15 1.61 10.43 -1.26 -4.16 116.55 126.70 1pvn n ASP 283 Ca 0.00 -1.77 0.00 0.00 2.57 0.00 0.00 54.79 55.59 1pvn n ASP 283 Cb 0.00 -0.14 0.26 0.00 1.84 0.00 0.00 41.12 43.08 1pvn n ASP 283 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1pvn h LYS 284 N 2.19 0.04 -5.27 -1.24 1.57 -1.76 -3.42 116.57 108.70 1pvn h LYS 284 Ca 0.00 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 58.13 1pvn h LYS 284 Cb 0.49 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.61 1pvn h LYS 284 CO 0.00 0.52 -0.61 0.08 -0.57 0.00 0.00 179.45 178.87 1pvn s VAL 285 N -3.94 4.38 -0.17 0.50 1.01 -1.26 -5.09 120.40 115.83 1pvn s VAL 285 Ca -0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 1pvn s VAL 285 Cb 0.13 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1pvn s VAL 285 CO 0.75 0.47 0.25 -0.54 0.00 0.00 0.00 175.10 176.03 1pvn s LYS 286 N 0.43 4.24 -0.07 2.72 -0.14 -1.26 -4.97 119.74 120.70 1pvn s LYS 286 Ca 0.00 0.01 -0.00 0.00 -1.36 0.00 0.00 55.97 54.62 1pvn s LYS 286 Cb -0.13 -3.43 0.02 0.00 -1.68 0.00 0.00 37.83 32.62 1pvn s LYS 286 CO 0.02 0.25 -0.03 0.54 -0.76 0.00 0.00 175.35 175.37 1pvn s VAL 287 N 0.45 0.54 0.51 3.17 0.11 -1.26 -0.30 120.40 123.61 1pvn s VAL 287 Ca 0.14 -0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1pvn s VAL 287 Cb -0.12 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1pvn s VAL 287 CO 0.02 0.26 0.82 -0.83 -3.33 0.00 0.00 175.10 172.05 1pvn s GLY 288 N 1.52 1.52 0.32 6.54 0.00 0.10 -1.07 107.32 116.26 1pvn s GLY 288 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 44.72 44.11 1pvn s GLY 288 CO -0.04 -0.32 0.55 0.00 0.00 0.00 0.00 173.10 173.30 1pvn s ALA 289 N -2.81 0.06 0.00 3.20 0.00 -0.45 -1.53 121.76 120.23 1pvn s ALA 289 Ca 0.49 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1pvn s ALA 289 Cb -0.10 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1pvn s ALA 289 CO 0.46 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1pvn n GLY 290 N -0.50 0.48 0.00 0.00 0.00 -1.26 -1.20 105.19 102.72 1pvn n GLY 290 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1pvn n GLY 290 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pvn n ASN 291 N 4.97 0.00 -4.47 1.61 4.13 -0.37 -3.45 115.26 117.67 1pvn n ASN 291 Ca 0.00 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 1pvn n ASN 291 Cb 0.00 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.13 1pvn n ASN 291 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1pvn s ILE 292 N 0.00 1.48 0.00 2.41 -5.25 -0.96 -1.52 121.20 117.35 1pvn s ILE 292 Ca 0.00 -2.04 0.00 0.00 -0.99 0.00 0.00 60.65 57.62 1pvn s ILE 292 Cb 0.00 -2.72 0.00 0.00 2.95 0.00 0.00 42.46 42.69 1pvn s ILE 292 CO 0.00 -0.09 0.58 1.33 -1.79 0.00 0.00 174.94 174.96 1pvn n VAL 293 N -0.70 0.24 -4.07 8.37 0.24 -1.26 -2.00 118.33 119.14 1pvn n VAL 293 Ca -0.04 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 61.89 1pvn n VAL 293 Cb 0.66 0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 33.93 1pvn n VAL 293 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1pvn s ASP 294 N -0.24 0.32 0.26 -1.34 1.47 -1.26 -4.47 116.67 111.41 1pvn s ASP 294 Ca 0.00 -1.22 -0.04 0.00 1.18 0.00 0.00 52.55 52.47 1pvn s ASP 294 Cb 0.00 0.58 0.37 0.00 -0.34 0.00 0.00 42.92 43.53 1pvn s ASP 294 CO 0.00 -1.14 1.88 1.23 0.68 0.00 0.00 175.17 177.81 1pvn h GLY 295 N 2.27 1.45 0.92 2.12 0.00 -1.90 -2.35 103.07 105.59 1pvn h GLY 295 Ca -0.29 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.60 1pvn h GLY 295 CO 0.40 0.33 0.15 0.83 0.00 0.00 0.00 176.54 178.25 1pvn h GLU 296 N 1.13 0.30 -0.50 4.80 5.08 -1.97 -0.52 114.58 122.91 1pvn h GLU 296 Ca 0.41 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1pvn h GLU 296 Cb 0.14 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1pvn h GLU 296 CO -0.17 0.20 0.26 0.78 -1.00 0.00 0.00 179.01 179.08 1pvn h GLY 297 N 0.30 0.75 0.82 -3.84 0.00 -1.92 -1.83 103.07 97.36 1pvn h GLY 297 Ca 0.11 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.10 1pvn h GLY 297 CO -0.06 0.34 -0.04 -2.75 0.00 0.00 0.00 176.54 174.03 1pvn h PHE 298 N 0.66 -0.09 -0.71 5.60 3.57 -1.18 -2.37 116.94 122.42 1pvn h PHE 298 Ca 0.17 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.76 1pvn h PHE 298 Cb 0.08 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 1pvn h PHE 298 CO -0.01 -0.06 0.37 -0.09 -2.23 0.00 0.00 178.31 176.28 1pvn h ARG 299 N -0.04 0.62 -0.19 1.11 9.65 -0.91 0.85 114.38 125.46 1pvn h ARG 299 Ca 0.04 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1pvn h ARG 299 Cb 0.10 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1pvn h ARG 299 CO -0.08 0.41 0.12 -0.92 2.80 0.00 0.00 179.97 182.29 1pvn h TYR 300 N 0.63 0.25 0.00 2.20 3.20 -1.06 -0.95 116.97 121.25 1pvn h TYR 300 Ca 0.34 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.09 1pvn h TYR 300 Cb 0.32 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1pvn h TYR 300 CO -0.10 0.20 -0.57 -0.07 -1.64 0.00 0.00 178.16 175.98 1pvn h LEU 301 N 0.23 0.00 -0.15 2.82 3.38 -1.05 -1.63 115.31 118.91 1pvn h LEU 301 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1pvn h LEU 301 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1pvn h LEU 301 CO -0.01 0.57 -0.02 0.00 0.09 0.00 0.00 178.44 179.07 1pvn h ALA 302 N 1.43 0.20 0.00 1.53 0.00 -0.61 -2.14 119.26 119.67 1pvn h ALA 302 Ca -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1pvn h ALA 302 Cb 1.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1pvn h ALA 302 CO 0.07 -0.08 -0.24 -0.44 0.00 0.00 0.00 179.25 178.56 1pvn h ASP 303 N -0.01 0.00 0.95 0.00 3.32 -1.10 -1.55 116.42 118.01 1pvn h ASP 303 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1pvn h ASP 303 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1pvn h ASP 303 CO 0.01 0.24 -0.01 0.00 -1.72 0.00 0.00 179.24 177.77 1pvn h ALA 304 N 1.76 1.00 0.00 3.45 0.00 -0.91 -3.47 119.26 121.09 1pvn h ALA 304 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pvn h ALA 304 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pvn h ALA 304 CO 0.03 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1pvn n GLY 305 N -0.04 1.19 3.74 0.00 0.00 -0.58 -4.56 105.19 104.94 1pvn n GLY 305 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1pvn n GLY 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn n ALA 306 N -1.29 1.81 0.14 4.61 0.00 -0.85 -4.92 120.51 120.02 1pvn n ALA 306 Ca 0.00 0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.75 1pvn n ALA 306 Cb 0.00 -2.36 0.05 0.00 0.00 0.00 0.00 19.45 17.14 1pvn n ALA 306 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pvn h ASP 307 N 2.21 0.00 -5.00 0.00 5.19 -1.45 -3.46 116.42 113.90 1pvn h ASP 307 Ca -0.50 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.85 1pvn h ASP 307 Cb 1.28 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.61 1pvn h ASP 307 CO 0.61 0.29 0.13 0.72 -3.12 0.00 0.00 179.24 177.86 1pvn s PHE 308 N -3.09 -0.56 -0.09 4.55 -0.12 -1.26 0.16 117.98 117.58 1pvn s PHE 308 Ca 0.03 0.81 0.03 0.00 -0.05 0.00 0.00 56.93 57.75 1pvn s PHE 308 Cb 0.07 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1pvn s PHE 308 CO 0.74 -0.64 -0.19 0.42 -0.05 0.00 0.00 175.22 175.51 1pvn s ILE 309 N -1.85 1.68 -0.01 -4.49 1.01 -0.80 -1.34 121.20 115.40 1pvn s ILE 309 Ca -0.08 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 1pvn s ILE 309 Cb -0.01 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1pvn s ILE 309 CO 0.04 0.48 0.56 -0.75 0.00 0.00 0.00 174.94 175.26 1pvn s LYS 310 N 0.56 4.27 -0.09 2.79 2.20 -0.34 -1.02 119.74 128.11 1pvn s LYS 310 Ca -0.15 0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 56.12 1pvn s LYS 310 Cb -0.17 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1pvn s LYS 310 CO 0.05 0.40 -0.05 0.42 -0.36 0.00 0.00 175.35 175.81 1pvn s ILE 311 N -0.27 3.82 0.00 5.43 1.01 0.18 -1.24 121.20 130.13 1pvn s ILE 311 Ca 0.30 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1pvn s ILE 311 Cb -0.18 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1pvn s ILE 311 CO 0.16 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1pvn n GLY 312 N 2.57 3.94 2.69 6.18 0.00 -0.85 -0.97 105.19 118.75 1pvn n GLY 312 Ca -0.18 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 1pvn n GLY 312 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvn s ILE 313 N 0.00 0.05 0.00 -0.61 1.01 -1.26 -4.66 121.20 115.73 1pvn s ILE 313 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1pvn s ILE 313 Cb 0.00 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.09 1pvn s ILE 313 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1pvn n GLY 314 N 5.24 1.43 0.05 6.18 0.00 -1.26 -3.44 105.19 113.39 1pvn n GLY 314 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1pvn n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 315 N -2.00 -1.59 3.71 -0.02 0.00 -1.26 -4.76 105.19 99.27 1pvn n GLY 315 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1pvn n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 316 N 1.40 0.64 0.36 -0.02 0.00 -1.26 -2.73 105.19 103.58 1pvn n GLY 316 Ca 0.06 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1pvn n GLY 316 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pvn h SER 317 N 2.32 0.47 -0.58 1.61 4.64 -1.96 -1.71 113.55 118.35 1pvn h SER 317 Ca -0.48 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1pvn h SER 317 Cb 1.28 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1pvn h SER 317 CO 0.61 0.27 0.00 2.30 -0.87 0.00 0.00 176.83 179.14 1pvn n ILE 318 N -4.49 1.31 -3.51 0.95 -6.64 -1.26 -4.98 119.36 100.74 1pvn n ILE 318 Ca 0.12 -1.11 -0.37 0.00 -1.77 0.00 0.00 62.75 59.62 1pvn n ILE 318 Cb 0.40 0.35 -0.06 0.00 -1.44 0.00 0.00 39.64 38.89 1pvn n ILE 318 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pvn n ILE 320 N 2.82 1.45 -0.23 0.00 -5.35 -0.38 -4.81 119.36 112.85 1pvn n ILE 320 Ca -0.12 -1.89 -0.02 0.00 -0.27 0.00 0.00 62.75 60.44 1pvn n ILE 320 Cb 0.52 -0.02 0.09 0.00 -1.74 0.00 0.00 39.64 38.49 1pvn n ILE 320 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1pvn h THR 321 N 1.99 1.01 0.00 7.28 2.02 -1.88 -0.71 112.91 122.62 1pvn h THR 321 Ca -0.01 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1pvn h THR 321 Cb 1.13 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1pvn h THR 321 CO 0.01 0.13 -0.07 0.03 0.37 0.00 0.00 175.52 175.99 1pvn h ARG 322 N 0.73 0.00 0.00 6.66 3.08 -1.86 0.20 114.38 123.19 1pvn h ARG 322 Ca 0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 1pvn h ARG 322 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1pvn h ARG 322 CO -0.15 0.07 -1.29 0.39 -1.07 0.00 0.00 179.97 177.91 1pvn n GLU 323 N -3.96 0.62 -0.02 0.04 1.02 -0.77 -2.42 120.64 115.14 1pvn n GLU 323 Ca -0.03 0.08 -0.21 0.00 -0.02 0.00 0.00 57.16 56.98 1pvn n GLU 323 Cb 0.16 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 29.69 1pvn n GLU 323 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pvn n GLN 324 N -2.64 0.73 -0.00 3.49 1.13 -0.34 -4.66 117.38 115.08 1pvn n GLN 324 Ca -0.03 0.29 0.04 0.00 -1.94 0.00 0.00 57.00 55.35 1pvn n GLN 324 Cb 0.62 -1.69 -0.05 0.00 0.11 0.00 0.00 30.24 29.22 1pvn n GLN 324 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pvn n LYS 325 N -3.58 1.01 -1.44 -1.09 5.02 0.64 -5.03 118.16 113.70 1pvn n LYS 325 Ca -0.34 -0.05 -0.03 0.00 -2.02 0.00 0.00 58.31 55.87 1pvn n LYS 325 Cb 1.00 -1.11 -0.01 0.00 -0.02 0.00 0.00 35.03 34.89 1pvn n LYS 325 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pvn n GLY 326 N 1.93 0.49 3.55 0.72 0.00 -1.02 -5.02 105.19 105.83 1pvn n GLY 326 Ca -0.01 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1pvn n GLY 326 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pvn s ILE 327 N -2.13 3.15 -5.00 -0.61 -4.36 -1.26 -5.02 121.20 105.97 1pvn s ILE 327 Ca 0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 1pvn s ILE 327 Cb 0.00 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.23 1pvn s ILE 327 CO 0.00 0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.84 1pvn n GLY 328 N 0.58 0.99 3.56 6.27 0.00 -1.26 -3.96 105.19 111.37 1pvn n GLY 328 Ca -0.14 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 1pvn n GLY 328 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pvn s ARG 329 N -1.66 0.75 0.21 1.61 3.52 -1.22 -5.04 118.95 117.12 1pvn s ARG 329 Ca 0.00 0.25 -0.32 0.00 -0.13 0.00 0.00 55.73 55.53 1pvn s ARG 329 Cb 0.00 0.35 -0.14 0.00 -1.56 0.00 0.00 34.95 33.61 1pvn s ARG 329 CO 0.00 -0.22 1.42 0.41 -0.81 0.00 0.00 175.30 176.10 1pvn n GLY 330 N 0.97 0.78 0.23 8.12 0.00 -1.26 -4.63 105.19 109.40 1pvn n GLY 330 Ca -0.13 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 1pvn n GLY 330 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pvn h GLN 331 N 4.52 0.45 -0.16 1.61 5.75 -1.93 -1.49 115.11 123.85 1pvn h GLN 331 Ca -0.45 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1pvn h GLN 331 Cb 1.28 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1pvn h GLN 331 CO 0.78 0.30 0.07 0.00 -2.65 0.00 0.00 178.83 177.33 1pvn h ALA 332 N 1.39 0.20 -1.00 3.38 0.00 -1.85 -1.22 119.26 120.15 1pvn h ALA 332 Ca 0.30 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1pvn h ALA 332 Cb 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1pvn h ALA 332 CO -0.27 -0.23 0.66 1.15 0.00 0.00 0.00 179.25 180.56 1pvn h THR 333 N 0.12 1.19 -0.24 0.00 2.02 -1.21 -0.58 112.91 114.20 1pvn h THR 333 Ca 0.05 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1pvn h THR 333 Cb 0.13 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 1pvn h THR 333 CO -0.01 0.23 0.12 0.00 0.37 0.00 0.00 175.52 176.24 1pvn h ALA 334 N 1.40 0.31 -0.00 6.16 0.00 -0.95 -1.02 119.26 125.17 1pvn h ALA 334 Ca 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pvn h ALA 334 Cb -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pvn h ALA 334 CO -0.12 -0.14 0.00 0.28 0.00 0.00 0.00 179.25 179.27 1pvn h VAL 335 N 0.26 1.03 -0.66 0.00 2.07 -0.76 -0.90 116.25 117.29 1pvn h VAL 335 Ca 0.08 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1pvn h VAL 335 Cb 0.11 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1pvn h VAL 335 CO -0.01 0.02 0.38 0.40 0.02 0.00 0.00 177.57 178.39 1pvn h ILE 336 N -0.04 1.01 -0.15 4.57 2.04 -1.01 0.26 117.51 124.20 1pvn h ILE 336 Ca 0.00 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1pvn h ILE 336 Cb 0.04 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1pvn h ILE 336 CO -0.00 0.13 -0.03 -0.78 0.00 0.00 0.00 178.15 177.47 1pvn h ASP 337 N 0.72 0.28 -0.67 1.72 -0.00 -1.04 -2.38 116.42 115.06 1pvn h ASP 337 Ca 0.29 -0.36 -0.04 0.00 -0.00 0.00 0.00 57.03 56.92 1pvn h ASP 337 Cb 0.13 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.35 1pvn h ASP 337 CO -0.16 0.58 0.28 0.58 -0.00 0.00 0.00 179.24 180.53 1pvn h VAL 338 N -0.02 1.24 -0.87 2.25 2.07 -0.93 -2.46 116.25 117.53 1pvn h VAL 338 Ca 0.04 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1pvn h VAL 338 Cb 0.46 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1pvn h VAL 338 CO 0.01 0.29 0.52 0.58 0.02 0.00 0.00 177.57 178.99 1pvn h VAL 339 N 0.95 1.24 -0.62 2.57 2.07 -0.95 0.18 116.25 121.69 1pvn h VAL 339 Ca 0.23 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1pvn h VAL 339 Cb 0.19 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1pvn h VAL 339 CO -0.02 0.26 0.41 0.00 0.02 0.00 0.00 177.57 178.24 1pvn h ALA 340 N 1.28 0.78 -0.37 1.67 0.00 -1.10 -0.41 119.26 121.12 1pvn h ALA 340 Ca 0.31 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1pvn h ALA 340 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1pvn h ALA 340 CO -0.06 0.21 -0.31 1.49 0.00 0.00 0.00 179.25 180.58 1pvn h GLU 341 N 0.83 0.82 -0.87 0.00 4.57 -0.94 -2.42 114.58 116.57 1pvn h GLU 341 Ca 0.23 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1pvn h GLU 341 Cb -0.09 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1pvn h GLU 341 CO -0.05 1.02 0.55 -0.09 -1.18 0.00 0.00 179.01 179.26 1pvn h ARG 342 N 0.69 1.15 -0.13 1.92 1.12 -0.13 0.18 114.38 119.19 1pvn h ARG 342 Ca 0.08 -0.08 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 1pvn h ARG 342 Cb 0.86 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 1pvn h ARG 342 CO 0.08 0.78 -0.43 -0.91 -3.11 0.00 0.00 179.97 176.38 1pvn h ASN 343 N 1.18 0.32 -0.31 -3.80 2.35 -0.93 -0.82 115.58 113.57 1pvn h ASN 343 Ca 0.31 -0.14 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1pvn h ASN 343 Cb -0.10 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1pvn h ASN 343 CO -0.06 0.71 -0.36 0.11 -1.65 0.00 0.00 177.43 176.18 1pvn h LYS 344 N 0.25 0.79 -0.95 0.81 1.57 -0.93 -2.25 116.57 115.86 1pvn h LYS 344 Ca 0.02 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1pvn h LYS 344 Cb 0.86 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 1pvn h LYS 344 CO 0.07 1.07 0.60 -0.92 -0.57 0.00 0.00 179.45 179.69 1pvn h TYR 345 N 0.55 1.22 -0.36 -1.35 3.20 -0.72 -0.95 116.97 118.57 1pvn h TYR 345 Ca 0.04 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1pvn h TYR 345 Cb 0.95 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1pvn h TYR 345 CO 0.07 0.79 0.15 0.35 -1.64 0.00 0.00 178.16 177.89 1pvn h PHE 346 N 1.30 0.54 -0.25 -3.82 3.57 -1.01 0.56 116.94 117.83 1pvn h PHE 346 Ca 0.34 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1pvn h PHE 346 Cb -0.10 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1pvn h PHE 346 CO 0.00 0.49 -0.12 0.93 -2.23 0.00 0.00 178.31 177.38 1pvn h GLU 347 N 0.44 0.41 -0.01 1.11 5.08 -0.99 0.56 114.58 121.18 1pvn h GLU 347 Ca 0.12 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1pvn h GLU 347 Cb 0.17 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1pvn h GLU 347 CO -0.01 0.53 -0.69 0.93 -1.00 0.00 0.00 179.01 178.77 1pvn h GLU 348 N 0.38 0.49 0.00 2.33 5.08 -0.86 -3.39 114.58 118.61 1pvn h GLU 348 Ca 0.07 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1pvn h GLU 348 Cb 0.45 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1pvn h GLU 348 CO 0.03 1.15 -1.36 0.25 -1.00 0.00 0.00 179.01 178.07 1pvn n THR 349 N -4.14 0.00 -1.00 1.13 -2.24 0.16 -4.98 114.28 103.21 1pvn n THR 349 Ca -0.10 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1pvn n THR 349 Cb 0.71 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1pvn n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pvn n GLY 350 N 1.57 0.66 3.48 3.38 0.00 0.19 -4.99 105.19 109.49 1pvn n GLY 350 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1pvn n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvn s ILE 351 N -2.68 4.33 -0.30 -0.61 1.01 -1.25 -0.28 121.20 121.42 1pvn s ILE 351 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 1pvn s ILE 351 Cb 0.00 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1pvn s ILE 351 CO 0.00 0.37 0.30 -0.47 0.00 0.00 0.00 174.94 175.15 1pvn s TYR 352 N 1.30 3.22 -0.32 3.97 5.04 -0.14 -3.92 117.35 126.50 1pvn s TYR 352 Ca 0.05 0.11 -0.09 0.00 -2.44 0.00 0.00 57.07 54.70 1pvn s TYR 352 Cb -0.15 -2.54 0.00 0.00 0.35 0.00 0.00 41.96 39.63 1pvn s TYR 352 CO 0.03 -0.29 0.14 0.42 -1.34 0.00 0.00 175.55 174.51 1pvn s ILE 353 N 1.92 4.39 0.47 3.14 1.01 -1.26 -2.13 121.20 128.75 1pvn s ILE 353 Ca 0.11 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1pvn s ILE 353 Cb -0.16 -3.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 1pvn s ILE 353 CO 0.11 0.02 1.29 -2.84 0.00 0.00 0.00 174.94 173.51 1pvn s PRO 354 N 1.57 3.60 0.11 2.79 0.02 -1.26 -4.85 135.00 136.97 1pvn s PRO 354 Ca 0.03 2.08 0.10 0.00 0.02 0.00 0.00 61.00 63.23 1pvn s PRO 354 Cb -0.17 -2.47 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 1pvn s PRO 354 CO 0.05 -0.77 -0.25 0.14 -0.33 0.00 0.00 177.00 175.85 1pvn s VAL 355 N -1.36 2.03 -0.13 3.83 -7.23 -1.26 -1.90 120.40 114.37 1pvn s VAL 355 Ca 0.64 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1pvn s VAL 355 Cb -0.36 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 1pvn s VAL 355 CO 0.45 0.06 -0.19 0.00 -0.31 0.00 0.00 175.10 175.10 1pvn s SER 357 N 0.61 6.50 -0.31 0.00 0.15 -0.80 0.48 113.70 120.32 1pvn s SER 357 Ca -0.11 0.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.59 1pvn s SER 357 Cb -0.16 -2.44 0.02 0.00 -1.71 0.00 0.00 66.02 61.72 1pvn s SER 357 CO 0.03 -1.02 0.09 -0.62 1.20 0.00 0.00 173.24 172.92 1pvn s ASP 358 N 2.22 5.19 0.00 5.45 2.15 -0.14 -1.47 116.67 130.06 1pvn s ASP 358 Ca 0.36 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.53 1pvn s ASP 358 Cb -0.11 -1.88 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 1pvn s ASP 358 CO 0.25 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 1pvn n GLY 359 N 4.86 0.72 1.98 2.66 0.00 -1.00 -4.52 105.19 109.89 1pvn n GLY 359 Ca -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1pvn n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 360 N 0.81 1.34 3.64 -0.02 0.00 -1.11 -4.79 105.19 105.07 1pvn n GLY 360 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1pvn n GLY 360 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pvn s ILE 361 N -3.03 4.03 -0.14 -0.61 -1.09 -1.26 -4.84 121.20 114.26 1pvn s ILE 361 Ca 0.00 1.19 -0.04 0.00 -2.23 0.00 0.00 60.65 59.57 1pvn s ILE 361 Cb 0.00 -3.95 -0.07 0.00 -1.58 0.00 0.00 42.46 36.86 1pvn s ILE 361 CO 0.00 -0.30 -0.16 0.52 -1.23 0.00 0.00 174.94 173.77 1pvn n VAL 362 N 5.96 0.76 -4.29 2.92 0.31 -1.26 -4.78 118.33 117.95 1pvn n VAL 362 Ca 0.16 -0.23 -0.25 0.00 -0.01 0.00 0.00 64.34 64.01 1pvn n VAL 362 Cb 0.45 -1.43 -0.08 0.00 -0.91 0.00 0.00 33.84 31.87 1pvn n VAL 362 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pvn s TYR 363 N -2.26 2.67 0.30 3.52 2.02 -1.26 -5.03 117.35 117.31 1pvn s TYR 363 Ca -0.19 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1pvn s TYR 363 Cb 0.06 -1.25 0.59 0.00 -0.40 0.00 0.00 41.96 40.97 1pvn s TYR 363 CO 0.26 0.57 1.86 -0.44 -1.57 0.00 0.00 175.55 176.23 1pvn h ASP 364 N 2.45 0.88 0.55 2.29 3.45 -1.96 -0.15 116.42 123.93 1pvn h ASP 364 Ca -0.45 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.04 1pvn h ASP 364 Cb 1.22 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 1pvn h ASP 364 CO 0.57 0.49 0.00 0.10 -1.57 0.00 0.00 179.24 178.83 1pvn h TYR 365 N 0.96 0.00 -0.08 4.55 -0.00 -1.95 -0.94 116.97 119.51 1pvn h TYR 365 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 59.13 1pvn h TYR 365 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.18 1pvn h TYR 365 CO -0.00 0.00 -0.24 0.45 -0.00 0.00 0.00 178.16 178.37 1pvn h HIS 366 N 0.00 0.14 -0.09 0.10 3.86 -1.41 -1.64 115.15 116.11 1pvn h HIS 366 Ca 0.00 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1pvn h HIS 366 Cb 0.27 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 1pvn h HIS 366 CO 0.00 0.37 0.04 0.52 0.86 0.00 0.00 177.93 179.72 1pvn h MET 367 N 0.12 0.14 -0.89 2.45 2.86 -1.24 -0.95 114.93 117.43 1pvn h MET 367 Ca 0.02 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1pvn h MET 367 Cb 0.49 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 1pvn h MET 367 CO 0.03 0.24 0.58 1.15 1.06 0.00 0.00 176.91 179.98 1pvn h THR 368 N 0.00 1.19 -0.20 2.22 2.02 -1.48 -1.72 112.91 114.95 1pvn h THR 368 Ca 0.03 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1pvn h THR 368 Cb 0.15 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1pvn h THR 368 CO -0.00 0.21 0.07 -0.07 0.37 0.00 0.00 175.52 176.10 1pvn h LEU 369 N 1.17 0.29 -0.58 2.58 3.38 -1.09 -0.07 115.31 120.99 1pvn h LEU 369 Ca 0.34 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1pvn h LEU 369 Cb -0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1pvn h LEU 369 CO -0.09 0.40 0.34 0.00 0.09 0.00 0.00 178.44 179.18 1pvn h ALA 370 N 0.90 0.76 -0.27 1.53 0.00 -0.85 0.17 119.26 121.50 1pvn h ALA 370 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pvn h ALA 370 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pvn h ALA 370 CO -0.00 0.06 0.05 -0.07 0.00 0.00 0.00 179.25 179.28 1pvn h LEU 371 N 0.67 0.43 -1.44 0.00 3.38 -1.20 -2.09 115.31 115.05 1pvn h LEU 371 Ca 0.24 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pvn h LEU 371 Cb 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1pvn h LEU 371 CO -0.12 0.57 0.38 0.00 0.09 0.00 0.00 178.44 179.37 1pvn h ALA 372 N 0.87 1.62 0.00 1.53 0.00 -0.56 -0.72 119.26 122.00 1pvn h ALA 372 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pvn h ALA 372 Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pvn h ALA 372 CO 0.00 0.35 0.00 -1.33 0.00 0.00 0.00 179.25 178.27 1pvn n MET 373 N -4.45 0.04 0.00 0.00 2.81 0.01 -4.43 117.12 111.09 1pvn n MET 373 Ca 0.06 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 1pvn n MET 373 Cb 0.07 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1pvn n MET 373 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pvn n GLY 374 N 0.19 1.43 3.76 3.03 0.00 -0.28 -4.57 105.19 108.75 1pvn n GLY 374 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1pvn n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn s ALA 375 N -1.55 3.57 0.01 4.61 0.00 -0.81 -4.81 121.76 122.77 1pvn s ALA 375 Ca 0.00 1.32 -0.07 0.00 0.00 0.00 0.00 51.96 53.21 1pvn s ALA 375 Cb 0.00 -3.53 -0.30 0.00 0.00 0.00 0.00 23.12 19.29 1pvn s ALA 375 CO 0.00 -0.73 0.89 -0.44 0.00 0.00 0.00 175.76 175.48 1pvn h ASP 376 N 4.16 0.53 -5.32 0.00 3.32 -1.54 -3.39 116.42 114.18 1pvn h ASP 376 Ca -0.48 -0.68 -0.12 0.00 0.02 0.00 0.00 57.03 55.77 1pvn h ASP 376 Cb 1.22 -0.17 -0.12 0.00 0.22 0.00 0.00 39.33 40.48 1pvn h ASP 376 CO 0.71 1.55 -0.36 0.72 -1.72 0.00 0.00 179.24 180.15 1pvn s PHE 377 N -2.61 0.54 -0.05 4.55 -0.71 -1.20 -4.79 117.98 113.72 1pvn s PHE 377 Ca -0.10 -0.89 0.05 0.00 -1.04 0.00 0.00 56.93 54.96 1pvn s PHE 377 Cb 0.06 -0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.74 1pvn s PHE 377 CO 0.88 -0.74 -0.21 0.42 -1.34 0.00 0.00 175.22 174.23 1pvn s ILE 378 N -4.01 1.74 -0.18 -4.49 1.01 0.35 -1.91 121.20 113.70 1pvn s ILE 378 Ca 0.22 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 1pvn s ILE 378 Cb 0.03 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1pvn s ILE 378 CO 0.04 0.49 0.04 -0.32 0.00 0.00 0.00 174.94 175.19 1pvn s MET 379 N -0.12 3.90 0.02 2.79 -2.45 -0.54 -0.79 119.30 122.11 1pvn s MET 379 Ca -0.02 -0.39 0.04 0.00 -1.25 0.00 0.00 55.69 54.08 1pvn s MET 379 Cb -0.12 -3.17 -0.02 0.00 1.25 0.00 0.00 34.83 32.77 1pvn s MET 379 CO 0.02 0.23 -0.13 -0.51 1.05 0.00 0.00 175.02 175.69 1pvn s LEU 380 N 0.46 2.12 -0.00 4.11 1.02 -0.50 -2.38 118.68 123.52 1pvn s LEU 380 Ca 0.02 -0.38 -0.01 0.00 0.02 0.00 0.00 54.13 53.79 1pvn s LEU 380 Cb -0.13 -0.60 -0.00 0.00 0.02 0.00 0.00 46.19 45.48 1pvn s LEU 380 CO 0.01 0.07 -0.01 0.61 0.02 0.00 0.00 176.35 177.05 1pvn n GLY 381 N 2.20 -0.19 0.26 -3.19 0.00 -1.26 -1.01 105.19 102.00 1pvn n GLY 381 Ca -0.17 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1pvn n GLY 381 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pvn h ARG 382 N -0.03 0.22 -0.69 1.61 2.43 -1.97 -0.37 114.38 115.58 1pvn h ARG 382 Ca 0.00 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1pvn h ARG 382 Cb 0.03 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.43 1pvn h ARG 382 CO 0.00 0.14 0.18 -0.92 -1.51 0.00 0.00 179.97 177.86 1pvn h TYR 383 N 0.22 0.28 0.00 2.20 3.20 -1.86 -2.61 116.97 118.41 1pvn h TYR 383 Ca 0.39 0.04 -0.24 0.00 3.14 0.00 0.00 58.73 62.06 1pvn h TYR 383 Cb 0.66 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1pvn h TYR 383 CO -0.29 -0.04 -1.29 0.74 -1.64 0.00 0.00 178.16 175.63 1pvn h PHE 384 N 0.29 0.00 -0.10 -3.82 -1.00 -1.57 -3.33 116.94 107.41 1pvn h PHE 384 Ca 0.38 0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.19 1pvn h PHE 384 Cb 0.60 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.16 1pvn h PHE 384 CO -0.24 0.99 0.10 0.00 -1.61 0.00 0.00 178.31 177.55 1pvn h ALA 385 N 1.01 1.77 0.00 2.45 0.00 -0.71 -1.31 119.26 122.47 1pvn h ALA 385 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pvn h ALA 385 Cb 1.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1pvn h ALA 385 CO 0.11 -0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1pvn n ARG 386 N -3.98 0.23 -2.62 0.00 1.74 -1.15 -4.74 116.66 106.13 1pvn n ARG 386 Ca -0.00 0.35 -0.30 0.00 -0.77 0.00 0.00 57.85 57.13 1pvn n ARG 386 Cb 0.21 -1.86 -0.02 0.00 -1.02 0.00 0.00 32.46 29.78 1pvn n ARG 386 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1pvn s PHE 387 N -3.24 3.52 0.36 -1.55 0.08 -0.49 -1.15 117.98 115.51 1pvn s PHE 387 Ca 0.07 1.03 0.11 0.00 0.12 0.00 0.00 56.93 58.26 1pvn s PHE 387 Cb 0.10 -2.46 0.87 0.00 -0.57 0.00 0.00 43.02 40.97 1pvn s PHE 387 CO 0.48 -0.26 1.85 1.49 -0.10 0.00 0.00 175.22 178.68 1pvn h GLU 388 N 0.70 0.61 0.00 0.44 4.57 -0.77 -1.59 114.58 118.54 1pvn h GLU 388 Ca -0.47 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1pvn h GLU 388 Cb 1.19 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1pvn h GLU 388 CO 0.63 0.41 0.00 0.39 -1.18 0.00 0.00 179.01 179.25 1pvn n GLU 389 N -4.59 0.14 -2.09 1.92 4.71 -1.26 -4.80 120.64 114.66 1pvn n GLU 389 Ca 0.19 0.30 -0.39 0.00 -0.01 0.00 0.00 57.16 57.25 1pvn n GLU 389 Cb 0.55 -1.73 -0.00 0.00 -1.01 0.00 0.00 31.44 29.26 1pvn n GLU 389 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1pvn s SER 390 N -3.85 6.15 0.00 1.62 1.04 -0.60 -3.23 113.70 114.83 1pvn s SER 390 Ca 0.07 2.55 0.06 0.00 0.48 0.00 0.00 55.95 59.11 1pvn s SER 390 Cb 0.11 -2.63 0.37 0.00 0.10 0.00 0.00 66.02 63.97 1pvn s SER 390 CO 0.41 -0.95 0.83 -0.81 0.98 0.00 0.00 173.24 173.70 1pvn n PRO 391 N -0.20 0.49 -2.87 4.02 -0.04 -1.26 -4.84 135.00 130.30 1pvn n PRO 391 Ca 0.06 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 1pvn n PRO 391 Cb 0.45 -1.20 0.02 0.00 -0.04 0.00 0.00 33.50 32.74 1pvn n PRO 391 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1pvn s THR 392 N -2.00 3.16 0.32 0.52 -4.23 -1.26 -5.05 115.64 107.11 1pvn s THR 392 Ca 0.09 -0.73 -0.19 0.00 -1.18 0.00 0.00 61.69 59.69 1pvn s THR 392 Cb 0.04 -3.15 -0.09 0.00 1.34 0.00 0.00 72.50 70.64 1pvn s THR 392 CO 0.07 -0.09 0.80 -0.13 -0.54 0.00 0.00 174.62 174.74 1pvn s ARG 393 N -4.58 4.17 -0.08 3.99 0.52 -1.26 -4.84 118.95 116.87 1pvn s ARG 393 Ca 0.54 0.89 -0.19 0.00 -0.52 0.00 0.00 55.73 56.44 1pvn s ARG 393 Cb -0.10 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1pvn s ARG 393 CO 0.36 0.18 0.53 0.15 0.02 0.00 0.00 175.30 176.55 1pvn s LYS 394 N -2.69 4.33 0.01 3.54 1.02 -1.26 -2.37 119.74 122.31 1pvn s LYS 394 Ca 0.53 0.57 0.02 0.00 0.02 0.00 0.00 55.97 57.12 1pvn s LYS 394 Cb -0.12 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1pvn s LYS 394 CO 0.18 0.20 -0.08 0.08 -0.92 0.00 0.00 175.35 174.81 1pvn s VAL 395 N 0.44 0.61 -0.25 3.17 1.01 0.94 -4.94 120.40 121.39 1pvn s VAL 395 Ca 0.29 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 1pvn s VAL 395 Cb -0.16 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1pvn s VAL 395 CO 0.13 0.06 0.51 -0.89 0.00 0.00 0.00 175.10 174.90 1pvn s THR 396 N -0.43 5.08 -0.28 3.92 2.01 -1.26 0.78 115.64 125.47 1pvn s THR 396 Ca 0.01 0.88 0.02 0.00 0.31 0.00 0.00 61.69 62.90 1pvn s THR 396 Cb -0.04 -3.82 0.08 0.00 0.01 0.00 0.00 72.50 68.72 1pvn s THR 396 CO -0.00 0.11 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.38 1pvn s ILE 397 N 2.16 1.86 -1.08 1.82 1.09 0.02 -4.79 121.20 122.29 1pvn s ILE 397 Ca 0.21 -1.68 -0.01 0.00 -1.10 0.00 0.00 60.65 58.08 1pvn s ILE 397 Cb -0.16 -2.18 -0.01 0.00 -1.06 0.00 0.00 42.46 39.06 1pvn s ILE 397 CO 0.09 -0.28 0.90 0.59 -0.10 0.00 0.00 174.94 176.14 1pvn n ASN 398 N 4.50 -2.50 0.00 3.58 3.02 -1.26 -2.62 115.26 119.98 1pvn n ASN 398 Ca -0.07 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1pvn n ASN 398 Cb 0.43 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 1pvn n ASN 398 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pvn n GLY 399 N -1.13 0.51 3.37 7.41 0.00 -1.26 -4.99 105.19 109.10 1pvn n GLY 399 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1pvn n GLY 399 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pvn s SER 400 N -2.42 4.00 -0.12 1.61 0.01 -1.08 -5.09 113.70 110.61 1pvn s SER 400 Ca 0.00 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.64 1pvn s SER 400 Cb 0.00 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.64 1pvn s SER 400 CO 0.00 0.17 1.16 -0.69 0.41 0.00 0.00 173.24 174.29 1pvn s VAL 401 N 0.30 4.43 0.43 3.43 1.01 -1.26 -0.80 120.40 127.94 1pvn s VAL 401 Ca -0.10 1.73 0.04 0.00 0.00 0.00 0.00 61.98 63.65 1pvn s VAL 401 Cb -0.16 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1pvn s VAL 401 CO 0.06 -0.07 0.04 -0.04 0.00 0.00 0.00 175.10 175.09 1pvn s MET 402 N 2.68 1.98 0.04 2.72 1.00 0.23 -1.70 119.30 126.26 1pvn s MET 402 Ca 0.52 -2.19 0.04 0.00 0.00 0.00 0.00 55.69 54.07 1pvn s MET 402 Cb -0.21 -1.27 -0.02 0.00 0.00 0.00 0.00 34.83 33.32 1pvn s MET 402 CO 0.17 -0.26 -0.13 0.15 0.00 0.00 0.00 175.02 174.95 1pvn s LYS 403 N -3.80 0.82 0.37 2.03 1.02 0.32 -0.04 119.74 120.46 1pvn s LYS 403 Ca 0.23 -0.76 -0.26 0.00 0.02 0.00 0.00 55.97 55.21 1pvn s LYS 403 Cb 0.06 -0.80 -0.09 0.00 -0.52 0.00 0.00 37.83 36.48 1pvn s LYS 403 CO 0.12 0.19 1.11 -1.21 -0.92 0.00 0.00 175.35 174.64 1pvn s GLU 404 N -1.24 4.26 -0.23 1.68 2.02 -1.00 -1.22 118.70 122.96 1pvn s GLU 404 Ca -0.01 1.72 -0.08 0.00 0.02 0.00 0.00 54.97 56.62 1pvn s GLU 404 Cb -0.08 -2.77 0.10 0.00 0.10 0.00 0.00 34.13 31.48 1pvn s GLU 404 CO 0.01 -0.11 0.50 -0.47 0.02 0.00 0.00 175.26 175.21 1pvn s TYR 405 N -1.43 -0.98 0.07 1.61 5.04 -0.36 -4.78 117.35 116.53 1pvn s TYR 405 Ca 0.54 1.80 0.03 0.00 -2.44 0.00 0.00 57.07 57.00 1pvn s TYR 405 Cb -0.28 0.48 -0.03 0.00 0.35 0.00 0.00 41.96 42.47 1pvn s TYR 405 CO 0.35 -0.54 -0.10 1.67 -1.34 0.00 0.00 175.55 175.59 1pvn s TRP 406 N 2.65 0.96 0.55 4.97 -2.14 -1.26 -0.53 118.94 124.14 1pvn s TRP 406 Ca -0.04 -0.57 -0.16 0.00 2.66 0.00 0.00 56.10 57.99 1pvn s TRP 406 Cb -0.12 -0.54 -0.06 0.00 -3.10 0.00 0.00 33.47 29.65 1pvn s TRP 406 CO -0.15 -0.02 1.01 0.20 -2.66 0.00 0.00 176.95 175.33 1pvn s GLY 407 N -2.02 2.06 0.43 3.67 0.00 -0.29 -4.70 107.32 106.47 1pvn s GLY 407 Ca -0.01 0.23 0.30 0.00 0.00 0.00 0.00 44.72 45.24 1pvn s GLY 407 CO 0.00 0.52 1.89 0.83 0.00 0.00 0.00 173.10 176.34 1pvn h GLU 408 N 0.66 0.00 -0.49 2.90 4.39 -1.93 -2.30 114.58 117.81 1pvn h GLU 408 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1pvn h GLU 408 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1pvn h GLU 408 CO 0.60 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.86 1pvn n GLY 409 N -0.06 1.43 3.91 -3.84 0.00 -1.26 -1.91 105.19 103.47 1pvn n GLY 409 Ca 0.01 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 1pvn n GLY 409 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pvn s SER 410 N -1.12 6.30 0.57 1.61 1.04 -0.87 -1.26 113.70 119.98 1pvn s SER 410 Ca 0.36 0.80 0.31 0.00 0.48 0.00 0.00 55.95 57.90 1pvn s SER 410 Cb 0.19 -2.19 1.75 0.00 0.10 0.00 0.00 66.02 65.87 1pvn s SER 410 CO 0.26 -0.47 2.20 0.77 0.98 0.00 0.00 173.24 176.98 1pvn h SER 411 N 0.51 0.00 -0.41 7.02 4.64 -1.88 -0.67 113.55 122.75 1pvn h SER 411 Ca -0.48 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 1pvn h SER 411 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1pvn h SER 411 CO 0.62 0.04 -0.05 -0.09 -0.87 0.00 0.00 176.83 176.48 1pvn h ARG 412 N 0.00 0.77 0.18 4.77 2.43 -1.93 -3.29 114.38 117.31 1pvn h ARG 412 Ca -0.00 -0.27 -0.31 0.00 -0.81 0.00 0.00 59.98 58.58 1pvn h ARG 412 Cb 0.13 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1pvn h ARG 412 CO 0.01 0.87 -1.52 0.00 -1.51 0.00 0.00 179.97 177.82 1pvn h ALA 413 N 0.87 0.06 -4.76 2.80 0.00 -1.61 -3.48 119.26 113.14 1pvn h ALA 413 Ca 0.11 -1.02 -0.41 0.00 0.00 0.00 0.00 54.91 53.60 1pvn h ALA 413 Cb 0.56 0.36 0.05 0.00 0.00 0.00 0.00 17.79 18.76 1pvn h ALA 413 CO 0.03 0.83 -0.61 0.54 0.00 0.00 0.00 179.25 180.04 1pvn n ARG 414 N -3.76 -5.07 -2.32 0.00 1.74 -0.31 -4.88 116.66 102.06 1pvn n ARG 414 Ca -0.22 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.29 1pvn n ARG 414 Cb 1.02 -5.72 0.00 0.00 -1.02 0.00 0.00 32.46 26.74 1pvn n ARG 414 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pvn n ASN 415 N -2.56 4.65 0.22 0.55 2.85 -0.80 -4.74 115.26 115.43 1pvn n ASN 415 Ca -0.09 -2.93 0.08 0.00 -0.11 0.00 0.00 54.58 51.53 1pvn n ASN 415 Cb 0.60 -1.65 0.50 0.00 1.24 0.00 0.00 39.78 40.47 1pvn n ASN 415 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1pvn h TRP 416 N 6.71 0.00 -0.55 1.20 5.08 -1.90 -2.95 115.95 123.54 1pvn h TRP 416 Ca 0.46 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.44 1pvn h TRP 416 Cb 0.76 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.89 1pvn h TRP 416 CO 1.36 0.26 0.36 1.96 -1.28 0.00 0.00 178.44 181.11 1pvn h GLN 417 N 0.00 0.72 0.00 0.12 7.50 -1.94 -1.28 115.11 120.23 1pvn h GLN 417 Ca -0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1pvn h GLN 417 Cb 0.58 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 27.95 1pvn h GLN 417 CO 0.03 0.48 -0.06 -0.09 -1.50 0.00 0.00 178.83 177.69 1pvn h ARG 418 N 0.74 0.00 -0.15 1.46 2.43 -1.69 -2.44 114.38 114.73 1pvn h ARG 418 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1pvn h ARG 418 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1pvn h ARG 418 CO -0.04 0.06 0.00 0.66 -1.51 0.00 0.00 179.97 179.14 1pvn n TYR 419 N -3.88 0.30 -1.76 2.20 4.02 -0.71 -1.24 117.16 116.10 1pvn n TYR 419 Ca -0.03 -0.65 -0.42 0.00 -0.01 0.00 0.00 57.90 56.79 1pvn n TYR 419 Cb 0.15 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1pvn n TYR 419 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1pvn s ASP 420 N -1.48 6.42 -0.19 7.72 3.68 -0.57 -4.91 116.67 127.34 1pvn s ASP 420 Ca 0.20 2.81 0.14 0.00 2.13 0.00 0.00 52.55 57.83 1pvn s ASP 420 Cb 0.14 -2.59 0.44 0.00 -1.45 0.00 0.00 42.92 39.46 1pvn s ASP 420 CO 0.07 -0.96 1.20 0.18 0.13 0.00 0.00 175.17 175.79 1pvn n LEU 421 N 4.28 2.73 -0.00 -1.34 4.77 -1.26 -4.93 117.00 121.26 1pvn n LEU 421 Ca 0.16 -3.64 -0.00 0.00 -0.03 0.00 0.00 56.01 52.50 1pvn n LEU 421 Cb 0.36 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1pvn n LEU 421 CO 0.64 1.34 -0.00 0.61 -1.33 0.00 0.00 177.39 178.65 1pvn n GLY 422 N -0.68 0.48 0.00 -0.72 0.00 -1.26 -5.03 105.19 97.98 1pvn n GLY 422 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pvn n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pvn n GLY 423 N -2.97 1.55 3.77 -0.02 0.00 -1.26 -5.05 105.19 101.20 1pvn n GLY 423 Ca -0.00 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1pvn n GLY 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvn s LYS 424 N 2.63 3.63 -0.90 1.61 1.02 -1.26 -4.88 119.74 121.59 1pvn s LYS 424 Ca 0.00 1.88 -0.06 0.00 0.02 0.00 0.00 55.97 57.81 1pvn s LYS 424 Cb 0.00 -2.38 -0.08 0.00 -0.52 0.00 0.00 37.83 34.85 1pvn s LYS 424 CO 0.00 -0.69 2.37 1.04 -0.92 0.00 0.00 175.35 177.15 1pvn n GLN 425 N -0.59 2.28 -3.52 1.68 6.02 -1.26 -4.75 117.38 117.24 1pvn n GLN 425 Ca 0.08 -1.47 -0.11 0.00 -0.01 0.00 0.00 57.00 55.49 1pvn n GLN 425 Cb 0.47 -2.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.29 1pvn n GLN 425 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1pvn s LYS 426 N 2.85 1.27 -0.34 -1.09 -2.85 -1.26 -5.01 119.74 113.31 1pvn s LYS 426 Ca 0.47 -0.59 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 1pvn s LYS 426 Cb 0.14 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.48 1pvn s LYS 426 CO -0.03 -0.55 1.20 -1.17 0.10 0.00 0.00 175.35 174.90 1pvn s LEU 427 N -2.78 3.86 0.33 2.77 2.96 -1.26 -4.89 118.68 119.66 1pvn s LEU 427 Ca 0.03 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1pvn s LEU 427 Cb -0.01 -3.54 0.56 0.00 0.50 0.00 0.00 46.19 43.70 1pvn s LEU 427 CO -0.11 -1.04 1.93 0.28 -1.32 0.00 0.00 176.35 176.09 1pvn h SER 428 N 8.89 0.69 -4.58 3.68 0.02 -1.96 -3.46 113.55 116.83 1pvn h SER 428 Ca -0.24 -0.07 0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1pvn h SER 428 Cb 1.08 -0.18 -0.16 0.00 0.14 0.00 0.00 62.40 63.28 1pvn h SER 428 CO 1.05 0.60 0.53 0.72 -1.14 0.00 0.00 176.83 178.59 1pvn s PHE 429 N -5.41 -0.33 0.33 3.45 -0.12 -1.26 -5.16 117.98 109.48 1pvn s PHE 429 Ca -0.09 0.22 -0.28 0.00 -0.05 0.00 0.00 56.93 56.73 1pvn s PHE 429 Cb 0.17 0.53 -0.09 0.00 -0.63 0.00 0.00 43.02 42.99 1pvn s PHE 429 CO 0.77 -0.50 1.15 -1.21 -0.05 0.00 0.00 175.22 175.39 1pvn s GLU 430 N -2.94 4.41 0.00 1.99 2.02 -1.26 -4.93 118.70 117.99 1pvn s GLU 430 Ca 0.05 1.87 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1pvn s GLU 430 Cb -0.01 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1pvn s GLU 430 CO -0.08 -0.02 0.71 0.39 0.02 0.00 0.00 175.26 176.29 1pvn n GLU 431 N 0.76 1.35 -3.89 1.61 1.02 -0.38 -4.93 120.64 116.17 1pvn n GLU 431 Ca 0.01 -0.94 -0.09 0.00 -0.02 0.00 0.00 57.16 56.11 1pvn n GLU 431 Cb 0.45 -0.76 -0.07 0.00 -0.02 0.00 0.00 31.44 31.04 1pvn n GLU 431 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1pvn s GLY 432 N -0.47 0.26 0.36 0.62 0.00 -1.09 -1.25 107.32 105.75 1pvn s GLY 432 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 44.72 44.11 1pvn s GLY 432 CO 0.00 -0.75 -0.06 -1.34 0.00 0.00 0.00 173.10 170.95 1pvn s VAL 433 N -3.92 2.19 -0.17 1.40 -7.23 -0.41 -3.81 120.40 108.47 1pvn s VAL 433 Ca 0.12 -2.14 -0.08 0.00 -1.81 0.00 0.00 61.98 58.07 1pvn s VAL 433 Cb 0.03 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1pvn s VAL 433 CO -0.04 -0.15 0.10 -0.62 -0.31 0.00 0.00 175.10 174.07 1pvn s ASP 434 N -3.64 5.96 0.12 4.85 2.15 -1.26 -1.14 116.67 123.70 1pvn s ASP 434 Ca 0.33 0.22 -0.02 0.00 0.43 0.00 0.00 52.55 53.51 1pvn s ASP 434 Cb 0.04 -1.99 0.01 0.00 -0.30 0.00 0.00 42.92 40.68 1pvn s ASP 434 CO 0.17 0.24 0.19 -1.54 -0.17 0.00 0.00 175.17 174.07 1pvn n SER 435 N 3.07 -0.54 -4.13 -0.34 3.41 0.31 -4.98 113.62 110.42 1pvn n SER 435 Ca -0.17 -1.58 -0.22 0.00 -0.26 0.00 0.00 58.87 56.64 1pvn n SER 435 Cb 0.53 0.96 -0.15 0.00 -0.26 0.00 0.00 64.21 65.29 1pvn n SER 435 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1pvn s TYR 436 N -5.22 1.31 0.11 7.33 1.51 -1.26 -1.22 117.35 119.91 1pvn s TYR 436 Ca 0.08 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.93 1pvn s TYR 436 Cb -0.01 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 1pvn s TYR 436 CO 0.06 0.00 -0.17 0.14 -1.11 0.00 0.00 175.55 174.47 1pvn s VAL 437 N -0.51 1.52 0.31 0.71 -7.23 -0.36 -4.93 120.40 109.90 1pvn s VAL 437 Ca 0.05 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 1pvn s VAL 437 Cb -0.06 -1.51 -0.11 0.00 0.56 0.00 0.00 36.38 35.27 1pvn s VAL 437 CO 0.00 -0.23 1.44 -2.16 -0.31 0.00 0.00 175.10 173.84 1pvn s PRO 438 N -2.23 4.23 0.04 4.82 0.04 -1.26 -0.52 135.00 140.13 1pvn s PRO 438 Ca 0.07 2.38 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 1pvn s PRO 438 Cb -0.08 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 1pvn s PRO 438 CO 0.04 -0.41 1.32 -0.47 0.04 0.00 0.00 177.00 177.51 1pvn s TYR 439 N -0.56 3.16 -1.00 0.56 5.04 -0.69 -4.62 117.35 119.24 1pvn s TYR 439 Ca 0.56 1.03 0.09 0.00 -2.44 0.00 0.00 57.07 56.31 1pvn s TYR 439 Cb -0.43 -3.57 0.04 0.00 0.35 0.00 0.00 41.96 38.35 1pvn s TYR 439 CO 0.51 -1.98 0.70 0.00 -1.34 0.00 0.00 175.55 173.45 1pvn n ALA 440 N 4.56 2.60 0.00 3.97 0.00 -0.30 -4.98 120.51 126.36 1pvn n ALA 440 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1pvn n ALA 440 Cb 0.44 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1pvn n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pvn n GLY 441 N 0.65 0.10 3.78 0.00 0.00 -1.25 -4.88 105.19 103.58 1pvn n GLY 441 Ca 0.05 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1pvn n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvn s LYS 442 N 0.00 4.59 0.12 1.61 1.02 -1.26 -0.04 119.74 125.78 1pvn s LYS 442 Ca 0.00 1.28 -0.20 0.00 0.02 0.00 0.00 55.97 57.07 1pvn s LYS 442 Cb 0.00 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 1pvn s LYS 442 CO 0.00 0.37 1.72 1.25 -0.92 0.00 0.00 175.35 177.76 1pvn h LEU 443 N 3.50 -0.12 -0.45 3.17 6.46 -1.94 -2.71 115.31 123.22 1pvn h LEU 443 Ca -0.47 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.43 1pvn h LEU 443 Cb 1.19 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 41.12 1pvn h LEU 443 CO 0.66 -0.04 -0.24 0.50 -0.62 0.00 0.00 178.44 178.70 1pvn h LYS 444 N 0.02 -0.14 -0.62 1.25 3.64 -1.94 0.18 116.57 118.97 1pvn h LYS 444 Ca 0.08 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1pvn h LYS 444 Cb 0.11 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1pvn h LYS 444 CO -0.16 -0.09 0.26 -0.44 -2.27 0.00 0.00 179.45 176.75 1pvn h ASP 445 N -0.15 0.84 -0.20 4.20 3.32 -1.95 -1.55 116.42 120.93 1pvn h ASP 445 Ca 0.21 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1pvn h ASP 445 Cb 0.48 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1pvn h ASP 445 CO -0.54 0.77 -0.16 0.78 -1.72 0.00 0.00 179.24 178.37 1pvn h ASN 446 N 0.86 0.49 -0.72 6.45 2.35 -1.10 -2.17 115.58 121.73 1pvn h ASN 446 Ca 0.21 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 1pvn h ASN 446 Cb 0.18 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1pvn h ASN 446 CO -0.02 0.84 0.36 0.58 -1.65 0.00 0.00 177.43 177.53 1pvn h VAL 447 N 0.14 1.23 -0.23 2.81 2.07 -0.61 -0.16 116.25 121.50 1pvn h VAL 447 Ca 0.04 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1pvn h VAL 447 Cb 0.68 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1pvn h VAL 447 CO 0.04 0.28 0.13 -0.08 0.02 0.00 0.00 177.57 177.95 1pvn h GLU 448 N 1.05 0.32 -0.51 1.57 4.81 -1.22 -1.10 114.58 119.49 1pvn h GLU 448 Ca 0.26 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1pvn h GLU 448 Cb 0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1pvn h GLU 448 CO -0.03 0.29 0.25 0.00 -0.73 0.00 0.00 179.01 178.79 1pvn h ALA 449 N 1.01 0.66 0.14 2.92 0.00 -0.90 -1.67 119.26 121.42 1pvn h ALA 449 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pvn h ALA 449 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pvn h ALA 449 CO -0.01 0.22 -0.07 0.77 0.00 0.00 0.00 179.25 180.16 1pvn h SER 450 N 0.69 -0.16 0.59 0.00 0.02 -0.89 -2.94 113.55 110.85 1pvn h SER 450 Ca 0.18 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1pvn h SER 450 Cb 0.11 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1pvn h SER 450 CO -0.02 -0.06 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.41 1pvn h LEU 451 N -0.26 0.00 -0.92 5.07 3.38 -1.15 -1.74 115.31 119.69 1pvn h LEU 451 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1pvn h LEU 451 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pvn h LEU 451 CO 0.03 0.13 -0.29 0.78 0.09 0.00 0.00 178.44 179.18 1pvn h ASN 452 N 0.00 0.45 -0.21 -0.43 2.35 -1.13 0.11 115.58 116.72 1pvn h ASN 452 Ca -0.00 -0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.42 1pvn h ASN 452 Cb 0.46 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1pvn h ASN 452 CO 0.02 0.73 -0.53 0.11 -1.65 0.00 0.00 177.43 176.11 1pvn h LYS 453 N 0.39 0.74 -0.11 0.81 1.57 -1.23 -1.80 116.57 116.94 1pvn h LYS 453 Ca 0.05 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pvn h LYS 453 Cb 0.71 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1pvn h LYS 453 CO 0.05 1.13 0.06 0.28 -0.57 0.00 0.00 179.45 180.41 1pvn h VAL 454 N 0.46 1.07 -0.80 0.50 2.07 -1.07 -1.42 116.25 117.06 1pvn h VAL 454 Ca -0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1pvn h VAL 454 Cb 1.14 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1pvn h VAL 454 CO 0.11 0.06 0.45 0.11 0.02 0.00 0.00 177.57 178.33 1pvn h LYS 455 N 0.10 1.10 -0.44 1.57 1.57 -0.80 -0.53 116.57 119.15 1pvn h LYS 455 Ca 0.04 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1pvn h LYS 455 Cb 0.05 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1pvn h LYS 455 CO -0.01 0.80 0.24 0.77 -0.57 0.00 0.00 179.45 180.69 1pvn h SER 456 N 1.10 0.54 -0.49 0.86 0.02 -1.11 -1.78 113.55 112.70 1pvn h SER 456 Ca 0.28 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1pvn h SER 456 Cb 0.01 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1pvn h SER 456 CO -0.05 0.47 0.12 0.74 -1.14 0.00 0.00 176.83 176.97 1pvn h THR 457 N 0.57 1.24 -0.94 -2.27 2.02 -0.99 -1.97 112.91 110.57 1pvn h THR 457 Ca 0.15 -0.84 0.11 0.00 0.77 0.00 0.00 66.41 66.60 1pvn h THR 457 Cb 0.05 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 1pvn h THR 457 CO -0.02 0.30 0.60 0.24 0.37 0.00 0.00 175.52 177.01 1pvn h MET 458 N 0.67 0.89 -0.39 6.66 2.07 -0.82 0.16 114.93 124.17 1pvn h MET 458 Ca 0.15 -0.05 -0.10 0.00 -2.07 0.00 0.00 59.70 57.63 1pvn h MET 458 Cb 0.33 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.85 1pvn h MET 458 CO 0.00 0.59 -0.17 0.00 1.07 0.00 0.00 176.91 178.40 1pvn h ASN 460 N 0.65 0.47 0.05 0.00 4.21 -0.28 -1.27 115.58 119.42 1pvn h ASN 460 Ca 0.10 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1pvn h ASN 460 Cb 0.65 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1pvn h ASN 460 CO 0.05 0.44 -0.02 0.00 -1.29 0.00 0.00 177.43 176.60 1pvn n GLY 462 N 1.13 0.41 3.37 0.00 0.00 -0.48 -4.33 105.19 105.28 1pvn n GLY 462 Ca 0.20 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1pvn n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn s ALA 463 N -2.19 2.48 -1.39 4.61 0.00 0.34 -4.94 121.76 120.67 1pvn s ALA 463 Ca 0.00 -0.97 0.13 0.00 0.00 0.00 0.00 51.96 51.11 1pvn s ALA 463 Cb 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.23 1pvn s ALA 463 CO 0.00 0.41 0.82 1.28 0.00 0.00 0.00 175.76 178.27 1pvn n LEU 464 N 2.92 1.76 -3.95 0.00 4.77 -1.26 -3.89 117.00 117.35 1pvn n LEU 464 Ca -0.18 -0.89 -0.09 0.00 -0.03 0.00 0.00 56.01 54.82 1pvn n LEU 464 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1pvn n LEU 464 CO 0.27 0.33 -0.15 0.42 -1.33 0.00 0.00 177.39 176.93 1pvn s THR 465 N -1.29 0.14 0.14 -5.08 -4.23 -1.26 -0.21 115.64 103.85 1pvn s THR 465 Ca 0.13 -1.42 -0.14 0.00 -1.18 0.00 0.00 61.69 59.08 1pvn s THR 465 Cb 0.10 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.40 1pvn s THR 465 CO 0.23 -0.62 1.67 0.40 -0.54 0.00 0.00 174.62 175.76 1pvn h ILE 466 N 2.79 1.22 -0.59 2.99 2.04 -1.83 -1.68 117.51 122.45 1pvn h ILE 466 Ca -0.34 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1pvn h ILE 466 Cb 1.19 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1pvn h ILE 466 CO 0.57 0.27 0.39 -0.65 0.00 0.00 0.00 178.15 178.72 1pvn h PRO 467 N 0.61 0.77 -0.51 2.37 0.11 -1.93 -0.59 132.00 132.82 1pvn h PRO 467 Ca 0.15 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1pvn h PRO 467 Cb 0.26 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1pvn h PRO 467 CO -0.01 0.51 0.19 1.96 -0.21 0.00 0.00 178.00 180.44 1pvn h GLN 468 N 0.79 0.76 -0.50 1.05 4.20 -1.87 -2.03 115.11 117.51 1pvn h GLN 468 Ca 0.22 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1pvn h GLN 468 Cb -0.08 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1pvn h GLN 468 CO -0.05 0.69 0.28 1.25 -0.67 0.00 0.00 178.83 180.33 1pvn h LEU 469 N 0.68 0.62 -1.89 1.46 5.85 -0.44 0.11 115.31 121.70 1pvn h LEU 469 Ca 0.17 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1pvn h LEU 469 Cb 0.22 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1pvn h LEU 469 CO -0.01 0.52 -0.13 1.56 -0.34 0.00 0.00 178.44 180.04 1pvn h GLN 470 N 0.67 0.00 0.12 1.25 4.20 -0.95 0.10 115.11 120.50 1pvn h GLN 470 Ca 0.18 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.60 1pvn h GLN 470 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1pvn h GLN 470 CO -0.03 0.13 -1.45 1.03 -0.67 0.00 0.00 178.83 177.83 1pvn h SER 471 N 0.00 0.38 1.31 1.46 0.87 -0.80 -3.40 113.55 113.38 1pvn h SER 471 Ca -0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 1pvn h SER 471 Cb 0.30 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1pvn h SER 471 CO 0.02 1.64 -0.60 0.11 -0.53 0.00 0.00 176.83 177.46 1pvn h LYS 472 N -0.28 0.00 -6.61 2.24 1.57 -0.65 -3.48 116.57 109.35 1pvn h LYS 472 Ca -0.31 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.88 1pvn h LYS 472 Cb 1.78 0.00 0.10 0.00 0.08 0.00 0.00 32.23 34.19 1pvn h LYS 472 CO 0.06 0.00 0.47 0.00 -0.57 0.00 0.00 179.45 179.41 1pvn n ALA 473 N -2.10 0.84 -4.01 3.86 0.00 0.34 -4.92 120.51 114.52 1pvn n ALA 473 Ca 0.02 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 1pvn n ALA 473 Cb 0.53 -2.21 -0.15 0.00 0.00 0.00 0.00 19.45 17.62 1pvn n ALA 473 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pvn s LYS 474 N -1.17 2.46 -0.15 0.00 1.02 -1.26 -5.05 119.74 115.58 1pvn s LYS 474 Ca 0.62 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 55.41 1pvn s LYS 474 Cb -0.64 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1pvn s LYS 474 CO 0.56 -0.49 -0.17 0.42 -0.92 0.00 0.00 175.35 174.75 1pvn s ILE 475 N 1.17 2.46 0.14 2.17 1.01 -1.26 -0.81 121.20 126.07 1pvn s ILE 475 Ca -0.05 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 59.87 1pvn s ILE 475 Cb -0.18 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1pvn s ILE 475 CO -0.06 0.52 -0.26 0.28 0.00 0.00 0.00 174.94 175.42 1pvn s THR 476 N 0.88 2.24 0.53 2.92 -1.32 -0.70 -4.99 115.64 115.20 1pvn s THR 476 Ca -0.05 -1.78 -0.12 0.00 -1.21 0.00 0.00 61.69 58.53 1pvn s THR 476 Cb -0.15 -1.99 -0.06 0.00 -1.51 0.00 0.00 72.50 68.79 1pvn s THR 476 CO -0.02 0.06 0.95 -0.76 -2.21 0.00 0.00 174.62 172.64 1pvn s LEU 477 N -2.13 3.51 -0.06 9.08 1.43 -1.26 -1.93 118.68 127.32 1pvn s LEU 477 Ca 0.14 1.38 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 1pvn s LEU 477 Cb -0.10 -4.35 0.01 0.00 0.03 0.00 0.00 46.19 41.78 1pvn s LEU 477 CO 0.06 -0.66 -0.13 -0.69 0.23 0.00 0.00 176.35 175.15 1pvn s VAL 478 N -2.81 1.20 0.76 -1.59 1.01 0.12 -4.88 120.40 114.21 1pvn s VAL 478 Ca 0.55 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 1pvn s VAL 478 Cb -0.10 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.26 1pvn s VAL 478 CO 0.41 0.36 1.11 -0.94 0.00 0.00 0.00 175.10 176.04 1pvn s SER 479 N 0.45 4.42 0.37 3.32 1.04 -1.26 -4.82 113.70 117.21 1pvn s SER 479 Ca -0.11 1.93 0.05 0.00 0.48 0.00 0.00 55.95 58.30 1pvn s SER 479 Cb -0.14 -2.54 0.70 0.00 0.10 0.00 0.00 66.02 64.15 1pvn s SER 479 CO 0.03 -2.09 1.98 0.77 0.98 0.00 0.00 173.24 174.91 1pvn h SER 480 N -0.94 0.55 0.03 7.02 4.64 -1.99 -0.92 113.55 121.93 1pvn h SER 480 Ca -0.44 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 60.70 1pvn h SER 480 Cb 1.24 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1pvn h SER 480 CO 0.51 0.48 -0.42 0.58 -0.87 0.00 0.00 176.83 177.10 1pvn h VAL 481 N 0.62 1.31 -0.15 0.95 2.07 -2.00 -2.43 116.25 116.61 1pvn h VAL 481 Ca 0.16 -1.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 1pvn h VAL 481 Cb 0.07 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1pvn h VAL 481 CO -0.02 0.49 -0.30 0.28 0.02 0.00 0.00 177.57 178.04 1pvn h SER 482 N 0.40 0.30 -0.48 0.57 0.02 -1.65 -2.37 113.55 110.34 1pvn h SER 482 Ca 0.03 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1pvn h SER 482 Cb 0.91 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1pvn h SER 482 CO 0.08 0.59 0.20 0.40 -1.14 0.00 0.00 176.83 176.97 1pvn h ILE 483 N 0.26 1.20 -0.76 3.27 1.08 -0.76 -1.35 117.51 120.46 1pvn h ILE 483 Ca 0.04 -0.61 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 1pvn h ILE 483 Cb 0.67 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 1pvn h ILE 483 CO 0.05 0.23 0.49 0.58 -0.69 0.00 0.00 178.15 178.81 1pvn h VAL 484 N 0.63 1.14 0.00 1.67 2.07 -1.09 -1.37 116.25 119.29 1pvn h VAL 484 Ca 0.16 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1pvn h VAL 484 Cb 0.17 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1pvn h VAL 484 CO -0.02 0.18 -0.17 -0.08 0.02 0.00 0.00 177.57 177.50 1pvn h GLU 485 N 0.97 0.00 0.00 1.57 4.81 -1.02 -2.91 114.58 118.00 1pvn h GLU 485 Ca 0.29 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.47 1pvn h GLU 485 Cb -0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1pvn h GLU 485 CO -0.09 0.17 -0.27 0.78 -0.73 0.00 0.00 179.01 178.87 1pvn h GLY 486 N 0.70 0.00 -1.33 1.92 0.00 -0.10 -3.45 103.07 100.81 1pvn h GLY 486 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 1pvn h GLY 486 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1pvn n GLY 487 N -0.28 1.46 3.77 4.60 0.00 -1.10 -5.04 105.19 108.60 1pvn n GLY 487 Ca -0.01 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 1pvn n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pvn s ALA 488 N -2.81 3.26 -0.07 4.61 0.00 -1.26 -5.00 121.76 120.48 1pvn s ALA 488 Ca 0.56 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 1pvn s ALA 488 Cb -0.04 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1pvn s ALA 488 CO 0.36 -0.83 0.40 -3.38 0.00 0.00 0.00 175.76 172.31 1pvn s HIS 489 N -1.26 -0.35 -1.64 0.00 -0.00 -1.26 -4.92 115.29 105.86 1pvn s HIS 489 Ca 0.57 0.70 0.00 0.00 -0.00 0.00 0.00 55.06 56.33 1pvn s HIS 489 Cb -0.38 0.16 0.00 0.00 -0.00 0.00 0.00 32.58 32.36 1pvn s HIS 489 CO 0.49 -0.36 0.00 -0.25 -0.00 0.00 0.00 174.74 174.62 1pvn n ASP 490 N 1.79 -5.34 -3.88 7.38 8.00 -1.26 -4.98 116.55 118.26 1pvn n ASP 490 Ca -0.18 0.06 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 1pvn n ASP 490 Cb 0.56 -4.41 -0.09 0.00 -0.02 0.00 0.00 41.12 37.17 1pvn n ASP 490 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1pvn s VAL 491 N -2.89 0.12 -0.41 2.53 -7.23 -1.26 -5.12 120.40 106.14 1pvn s VAL 491 Ca 0.00 -0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 59.03 1pvn s VAL 491 Cb 0.00 -0.91 0.02 0.00 0.56 0.00 0.00 36.38 36.05 1pvn s VAL 491 CO 0.00 -0.54 0.37 -0.63 -0.31 0.00 0.00 175.10 173.99 1pvn s ILE 492 N -2.59 5.18 -0.06 -0.62 1.01 -1.26 -5.03 121.20 117.83 1pvn s ILE 492 Ca -0.05 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 1pvn s ILE 492 Cb -0.01 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 1pvn s ILE 492 CO -0.04 -0.36 1.59 -0.69 0.00 0.00 0.00 174.94 175.44 1pvn s VAL 493 N 1.90 3.64 -2.07 2.92 1.01 -1.26 -5.21 120.40 121.34 1pvn s VAL 493 Ca 0.08 0.82 0.31 0.00 0.00 0.00 0.00 61.98 63.20 1pvn s VAL 493 Cb -0.18 -3.53 0.86 0.00 0.00 0.00 0.00 36.38 33.53 1pvn s VAL 493 CO 0.12 -0.06 2.17 1.17 0.00 0.00 0.00 175.10 178.49