#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vak s MET 11 N 0.00 1.36 0.96 -0.78 1.75 -1.26 -5.08 119.30 116.25 2vak s MET 11 Ca 0.00 -1.99 -0.13 0.00 -1.25 0.00 0.00 55.69 52.32 2vak s MET 11 Cb 0.00 -2.56 0.04 0.00 2.84 0.00 0.00 34.83 35.14 2vak s MET 11 CO 0.00 -1.11 0.35 0.00 -0.65 0.00 0.00 175.02 173.61 2vak n ALA 12 N 3.70 -2.78 -2.32 4.11 0.00 -1.26 -1.17 120.51 120.79 2vak n ALA 12 Ca 0.06 -0.65 -0.37 0.00 0.00 0.00 0.00 53.44 52.48 2vak n ALA 12 Cb 0.36 -1.76 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 2vak n ALA 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2vak s ARG 13 N -3.58 4.09 -0.18 0.00 1.70 -1.24 -4.19 118.95 115.54 2vak s ARG 13 Ca 0.56 0.61 -0.09 0.00 -0.47 0.00 0.00 55.73 56.35 2vak s ARG 13 Cb -0.20 -3.10 -0.08 0.00 -0.57 0.00 0.00 34.95 31.00 2vak s ARG 13 CO 0.68 0.57 -0.23 0.00 -1.08 0.00 0.00 175.30 175.24 2vak n ALA 14 N 1.32 1.84 -2.69 7.88 0.00 -1.26 -4.98 120.51 122.61 2vak n ALA 14 Ca -0.08 -0.72 -0.38 0.00 0.00 0.00 0.00 53.44 52.26 2vak n ALA 14 Cb 0.51 0.27 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 2vak n ALA 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vak s ILE 15 N -2.33 5.18 -0.94 0.00 1.01 -1.26 -5.02 121.20 117.84 2vak s ILE 15 Ca -0.25 0.84 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 2vak s ILE 15 Cb 0.10 -3.78 0.24 0.00 0.01 0.00 0.00 42.46 39.02 2vak s ILE 15 CO 0.32 0.27 0.87 -1.22 0.00 0.00 0.00 174.94 175.17 2vak n TYR 16 N 4.23 4.30 -3.44 3.97 4.01 -1.26 -5.07 117.16 123.90 2vak n TYR 16 Ca -0.07 -4.04 -0.37 0.00 -0.16 0.00 0.00 57.90 53.27 2vak n TYR 16 Cb 0.51 -1.22 -0.06 0.00 -0.31 0.00 0.00 39.34 38.27 2vak n TYR 16 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2vak s ASP 17 N -0.08 6.82 -0.04 7.72 1.01 -1.26 -1.32 116.67 129.52 2vak s ASP 17 Ca 0.29 1.00 0.06 0.00 0.71 0.00 0.00 52.55 54.61 2vak s ASP 17 Cb -0.06 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 2vak s ASP 17 CO -0.11 0.23 -0.23 0.12 0.21 0.00 0.00 175.17 175.39 2vak s PHE 18 N -1.25 2.18 -0.14 4.23 5.36 0.92 -4.83 117.98 124.45 2vak s PHE 18 Ca 0.30 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.73 2vak s PHE 18 Cb -0.16 -1.42 0.01 0.00 -0.34 0.00 0.00 43.02 41.10 2vak s PHE 18 CO 0.17 -0.14 -0.20 0.12 -1.46 0.00 0.00 175.22 173.71 2vak s PHE 19 N -0.27 2.70 0.48 10.12 5.36 -1.26 0.83 117.98 135.94 2vak s PHE 19 Ca 0.01 -1.25 -0.13 0.00 -0.96 0.00 0.00 56.93 54.59 2vak s PHE 19 Cb -0.12 -1.84 -0.07 0.00 -0.34 0.00 0.00 43.02 40.66 2vak s PHE 19 CO 0.02 -0.57 0.90 -1.54 -1.46 0.00 0.00 175.22 172.56 2vak s SER 20 N 0.81 6.54 0.19 6.13 1.04 -0.33 -4.25 113.70 123.84 2vak s SER 20 Ca -0.07 1.36 -0.33 0.00 0.48 0.00 0.00 55.95 57.40 2vak s SER 20 Cb -0.15 -2.42 -0.13 0.00 0.10 0.00 0.00 66.02 63.41 2vak s SER 20 CO -0.01 -0.53 1.61 0.41 0.98 0.00 0.00 173.24 175.70 2vak n THR 21 N -1.57 0.11 -2.38 2.02 -1.04 -1.26 -2.87 114.28 107.29 2vak n THR 21 Ca 0.05 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.63 2vak n THR 21 Cb 0.54 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 67.32 2vak n THR 21 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2vak s PRO 22 N 0.83 4.38 0.32 -2.82 0.02 -1.26 -2.80 135.00 133.66 2vak s PRO 22 Ca 0.76 1.84 0.05 0.00 0.02 0.00 0.00 61.00 63.68 2vak s PRO 22 Cb -0.61 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 30.93 2vak s PRO 22 CO 0.37 -0.04 0.28 -0.59 -0.33 0.00 0.00 177.00 176.69 2vak s PHE 23 N -1.29 1.63 0.00 6.54 -0.71 -1.26 -4.90 117.98 117.99 2vak s PHE 23 Ca 0.50 -1.60 0.00 0.00 -1.04 0.00 0.00 56.93 54.79 2vak s PHE 23 Cb -0.32 -0.64 0.00 0.00 -1.21 0.00 0.00 43.02 40.85 2vak s PHE 23 CO 0.41 -0.87 0.00 0.41 -1.34 0.00 0.00 175.22 173.83 2vak n GLY 24 N -0.58 3.47 0.41 1.99 0.00 -1.26 -4.95 105.19 104.27 2vak n GLY 24 Ca 0.06 -1.81 0.22 0.00 0.00 0.00 0.00 46.02 44.50 2vak n GLY 24 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vak h ASN 25 N 0.00 0.00 -0.34 1.61 2.35 -2.01 -2.97 115.58 114.22 2vak h ASN 25 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2vak h ASN 25 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2vak h ASN 25 CO 0.00 0.00 0.01 0.54 -1.65 0.00 0.00 177.43 176.33 2vak n ARG 26 N -3.82 2.60 0.00 0.81 5.12 -1.26 -5.08 116.66 115.03 2vak n ARG 26 Ca 0.10 -2.97 0.00 0.00 -1.93 0.00 0.00 57.85 53.06 2vak n ARG 26 Cb 0.74 -1.87 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 2vak n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2vak n GLY 27 N -0.71 -1.58 3.69 -0.13 0.00 -1.12 -4.80 105.19 100.54 2vak n GLY 27 Ca 0.27 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2vak n GLY 27 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vak s LEU 28 N 0.00 4.31 -1.34 0.99 2.96 -1.26 -4.06 118.68 120.28 2vak s LEU 28 Ca 0.00 1.98 -0.09 0.00 -0.22 0.00 0.00 54.13 55.80 2vak s LEU 28 Cb 0.00 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 2vak s LEU 28 CO 0.00 -0.62 2.88 0.00 -1.32 0.00 0.00 176.35 177.29 2vak n ALA 29 N 5.00 6.96 -2.44 5.97 0.00 -1.26 -4.75 120.51 129.99 2vak n ALA 29 Ca 0.11 -3.09 -0.18 0.00 0.00 0.00 0.00 53.44 50.29 2vak n ALA 29 Cb 0.45 -3.20 -0.07 0.00 0.00 0.00 0.00 19.45 16.63 2vak n ALA 29 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2vak s THR 30 N 2.25 0.00 0.30 0.00 -1.32 -1.24 -1.70 115.64 113.93 2vak s THR 30 Ca 0.64 -1.90 -0.19 0.00 -1.21 0.00 0.00 61.69 59.03 2vak s THR 30 Cb 0.18 -2.54 0.05 0.00 -1.51 0.00 0.00 72.50 68.68 2vak s THR 30 CO -0.05 0.00 0.82 0.54 -2.21 0.00 0.00 174.62 173.72 2vak s ASN 31 N -3.33 -0.10 0.22 8.08 2.20 -1.26 -4.67 114.94 116.07 2vak s ASN 31 Ca 0.38 -0.83 -0.08 0.00 -0.94 0.00 0.00 52.86 51.39 2vak s ASN 31 Cb 0.02 0.73 0.29 0.00 -2.00 0.00 0.00 41.25 40.28 2vak s ASN 31 CO 0.25 -1.40 1.78 -0.09 -2.94 0.00 0.00 177.10 174.70 2vak h ARG 32 N 2.00 0.58 -0.19 3.55 2.43 -1.93 -1.74 114.38 119.09 2vak h ARG 32 Ca -0.26 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.90 2vak h ARG 32 Cb 1.24 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 2vak h ARG 32 CO 0.33 0.38 0.00 1.15 -1.51 0.00 0.00 179.97 180.32 2vak h THR 33 N 0.60 0.87 -0.47 0.20 2.02 -1.97 -1.56 112.91 112.60 2vak h THR 33 Ca 0.32 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.35 2vak h THR 33 Cb 0.30 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2vak h THR 33 CO -0.24 0.01 -0.23 -0.61 0.37 0.00 0.00 175.52 174.82 2vak h GLN 34 N 0.06 0.97 -0.33 6.66 4.15 -1.81 -2.94 115.11 121.86 2vak h GLN 34 Ca 0.09 -0.42 -0.16 0.00 0.77 0.00 0.00 58.65 58.94 2vak h GLN 34 Cb 0.11 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2vak h GLN 34 CO -0.15 1.09 -0.41 -0.07 -1.93 0.00 0.00 178.83 177.35 2vak h LEU 35 N 0.83 0.89 -1.89 -2.39 3.38 -1.15 -2.64 115.31 112.34 2vak h LEU 35 Ca 0.11 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2vak h LEU 35 Cb 0.80 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2vak h LEU 35 CO 0.07 1.18 -0.12 0.28 0.09 0.00 0.00 178.44 179.94 2vak h SER 36 N 0.67 0.00 1.03 -0.43 0.02 -1.24 -1.71 113.55 111.89 2vak h SER 36 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2vak h SER 36 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2vak h SER 36 CO 0.09 0.12 0.00 -1.54 -1.14 0.00 0.00 176.83 174.37 2vak n SER 37 N -4.03 0.26 -0.36 3.07 3.41 -1.00 -2.78 113.62 112.19 2vak n SER 37 Ca -0.02 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 2vak n SER 37 Cb 0.21 -0.60 0.43 0.00 -0.26 0.00 0.00 64.21 63.99 2vak n SER 37 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vak n LEU 38 N -1.75 1.27 -4.85 1.04 4.77 -0.64 -4.93 117.00 111.91 2vak n LEU 38 Ca 0.06 -0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 55.31 2vak n LEU 38 Cb 0.33 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2vak n LEU 38 CO 0.25 0.22 0.22 -0.76 -1.33 0.00 0.00 177.39 176.00 2vak s LEU 39 N -2.28 4.32 1.08 2.23 1.43 -1.12 -4.77 118.68 119.57 2vak s LEU 39 Ca 0.30 1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 54.30 2vak s LEU 39 Cb 0.20 -3.30 0.23 0.00 0.03 0.00 0.00 46.19 43.35 2vak s LEU 39 CO 0.44 0.09 1.09 -0.94 0.23 0.00 0.00 176.35 177.26 2vak s SER 40 N -1.80 1.90 0.49 2.29 1.04 -0.75 -4.84 113.70 112.03 2vak s SER 40 Ca 0.39 1.02 0.15 0.00 0.48 0.00 0.00 55.95 57.98 2vak s SER 40 Cb -0.14 -1.56 1.16 0.00 0.10 0.00 0.00 66.02 65.57 2vak s SER 40 CO 0.19 -3.56 2.10 0.77 0.98 0.00 0.00 173.24 173.72 2vak h SER 41 N -2.19 0.03 -0.51 7.02 4.64 -1.98 0.06 113.55 120.62 2vak h SER 41 Ca -0.52 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2vak h SER 41 Cb 1.32 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2vak h SER 41 CO 0.50 0.08 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 2vak n SER 42 N -4.47 4.14 0.00 4.97 3.41 -1.26 -4.95 113.62 115.46 2vak n SER 42 Ca -0.03 -2.46 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 2vak n SER 42 Cb 0.14 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2vak n SER 42 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2vak n ASN 43 N 0.77 0.00 -4.72 4.04 3.02 0.01 -4.84 115.26 113.53 2vak n ASN 43 Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 2vak n ASN 43 Cb 0.81 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.95 2vak n ASN 43 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2vak s SER 44 N -3.07 7.06 0.00 6.41 0.15 -1.26 -1.00 113.70 121.99 2vak s SER 44 Ca 0.00 2.15 0.24 0.00 0.70 0.00 0.00 55.95 59.04 2vak s SER 44 Cb 0.00 -2.59 0.99 0.00 -1.71 0.00 0.00 66.02 62.71 2vak s SER 44 CO 0.00 -0.44 1.69 -0.81 1.20 0.00 0.00 173.24 174.88 2vak n PRO 45 N 3.25 1.54 -0.10 5.44 -0.04 -1.26 -1.81 135.00 142.01 2vak n PRO 45 Ca 0.07 -0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 62.58 2vak n PRO 45 Cb 0.45 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 2vak n PRO 45 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2vak n TRP 46 N 0.01 0.00 0.00 0.54 7.02 -1.26 -5.03 117.44 118.71 2vak n TRP 46 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 2vak n TRP 46 Cb 0.28 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 28.38 2vak n TRP 46 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 2vak n GLN 47 N -3.12 0.00 -2.30 -0.99 7.27 -1.26 -5.06 117.38 111.93 2vak n GLN 47 Ca -0.37 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.30 2vak n GLN 47 Cb 0.89 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.51 2vak n GLN 47 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2vak s ILE 61 N 0.00 3.64 0.00 1.69 -4.36 -1.26 -5.03 121.20 115.88 2vak s ILE 61 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 60.65 60.88 2vak s ILE 61 Cb 0.00 -4.33 0.00 0.00 1.25 0.00 0.00 42.46 39.38 2vak s ILE 61 CO 0.00 -1.17 0.93 0.55 0.24 0.00 0.00 174.94 175.49 2vak n VAL 62 N 6.91 0.93 -1.19 8.37 3.14 -1.26 -4.85 118.33 130.38 2vak n VAL 62 Ca 0.14 -0.19 -0.29 0.00 -2.96 0.00 0.00 64.34 61.03 2vak n VAL 62 Cb 0.50 -1.12 0.15 0.00 -1.06 0.00 0.00 33.84 32.31 2vak n VAL 62 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2vak s SER 63 N 1.70 3.14 -0.09 6.55 1.04 -1.26 -5.07 113.70 119.71 2vak s SER 63 Ca 0.00 1.37 -0.25 0.00 0.48 0.00 0.00 55.95 57.54 2vak s SER 63 Cb 0.00 -2.04 0.06 0.00 0.10 0.00 0.00 66.02 64.14 2vak s SER 63 CO 0.00 -2.83 0.59 0.28 0.98 0.00 0.00 173.24 172.26 2vak s THR 64 N -2.95 0.01 0.35 2.02 -1.32 -0.90 -5.00 115.64 107.85 2vak s THR 64 Ca 0.64 -0.10 0.09 0.00 -1.21 0.00 0.00 61.69 61.11 2vak s THR 64 Cb -0.18 -0.88 0.33 0.00 -1.51 0.00 0.00 72.50 70.25 2vak s THR 64 CO 0.57 -0.05 1.83 -0.65 -2.21 0.00 0.00 174.62 174.11 2vak h PRO 65 N 3.71 0.66 0.00 7.08 0.11 -1.98 -0.06 132.00 141.52 2vak h PRO 65 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2vak h PRO 65 Cb 1.15 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2vak h PRO 65 CO 0.33 0.44 -0.13 1.05 -0.21 0.00 0.00 178.00 179.47 2vak h GLU 66 N 0.68 0.00 -2.19 1.05 9.09 -1.99 -3.35 114.58 117.87 2vak h GLU 66 Ca 0.50 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.34 2vak h GLU 66 Cb 0.87 0.00 -0.39 0.00 -1.65 0.00 0.00 28.75 27.58 2vak h GLU 66 CO -0.26 0.00 -0.97 0.00 0.05 0.00 0.00 179.01 177.82 2vak n ALA 67 N -2.06 2.82 0.51 1.06 0.00 -0.89 -4.74 120.51 117.20 2vak n ALA 67 Ca 0.04 -3.57 0.12 0.00 0.00 0.00 0.00 53.44 50.03 2vak n ALA 67 Cb 0.52 -0.82 0.46 0.00 0.00 0.00 0.00 19.45 19.61 2vak n ALA 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2vak n PRO 68 N 1.75 0.19 -4.17 0.00 -0.04 -0.09 -2.12 135.00 130.52 2vak n PRO 68 Ca 0.24 0.32 -0.18 0.00 -0.04 0.00 0.00 63.50 63.85 2vak n PRO 68 Cb 0.49 -1.81 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 2vak n PRO 68 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2vak s TYR 69 N -3.21 1.22 0.31 0.54 4.12 -1.26 -4.57 117.35 114.50 2vak s TYR 69 Ca 0.07 -0.47 0.07 0.00 0.02 0.00 0.00 57.07 56.76 2vak s TYR 69 Cb 0.11 -0.68 0.87 0.00 -1.52 0.00 0.00 41.96 40.74 2vak s TYR 69 CO 0.45 0.06 1.63 -1.35 0.02 0.00 0.00 175.55 176.36 2vak h PRO 70 N 4.26 0.16 0.00 -1.71 0.11 -1.83 0.45 132.00 133.43 2vak h PRO 70 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2vak h PRO 70 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2vak h PRO 70 CO 0.41 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 178.71 2vak n GLY 71 N -1.37 -1.47 0.18 -0.55 0.00 -0.63 -3.54 105.19 97.81 2vak n GLY 71 Ca 0.26 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 2vak n GLY 71 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2vak h SER 72 N 0.00 0.29 -0.26 1.61 0.02 -1.11 -2.96 113.55 111.14 2vak h SER 72 Ca 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2vak h SER 72 Cb 0.52 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2vak h SER 72 CO 0.00 0.21 0.08 -0.07 -1.14 0.00 0.00 176.83 175.91 2vak h LEU 73 N 0.41 0.37 -0.83 5.07 3.38 -1.70 0.56 115.31 122.57 2vak h LEU 73 Ca 0.18 -0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.09 2vak h LEU 73 Cb 0.09 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 2vak h LEU 73 CO -0.13 0.47 -0.31 -0.03 0.09 0.00 0.00 178.44 178.53 2vak h MET 74 N 0.25 -0.05 -0.35 1.13 4.05 -1.74 0.81 114.93 119.03 2vak h MET 74 Ca 0.08 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.36 2vak h MET 74 Cb 0.23 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2vak h MET 74 CO -0.00 -0.03 -0.33 -0.92 0.23 0.00 0.00 176.91 175.85 2vak h TYR 75 N -0.05 1.02 -0.30 1.39 3.20 -1.31 -2.55 116.97 118.37 2vak h TYR 75 Ca 0.34 -0.30 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 2vak h TYR 75 Cb 0.60 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2vak h TYR 75 CO -0.73 1.10 -0.15 1.96 -1.64 0.00 0.00 178.16 178.69 2vak h GLN 76 N 0.64 0.53 0.00 1.82 4.20 -0.62 -2.19 115.11 119.49 2vak h GLN 76 Ca 0.06 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 2vak h GLN 76 Cb 0.92 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 2vak h GLN 76 CO 0.08 0.67 -0.54 0.93 -0.67 0.00 0.00 178.83 179.30 2vak h GLU 77 N 0.48 0.00 -0.49 1.46 5.08 -0.88 -1.45 114.58 118.79 2vak h GLU 77 Ca 0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2vak h GLU 77 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2vak h GLU 77 CO 0.04 0.54 0.10 0.66 -1.00 0.00 0.00 179.01 179.35 2vak h SER 78 N 0.00 0.70 -0.19 1.42 4.64 -0.99 -0.47 113.55 118.66 2vak h SER 78 Ca -0.01 -0.12 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 2vak h SER 78 Cb 1.11 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2vak h SER 78 CO 0.07 0.70 -0.67 0.24 -0.87 0.00 0.00 176.83 176.30 2vak h MET 79 N 0.73 0.79 -0.27 4.77 2.86 -1.04 -1.44 114.93 121.32 2vak h MET 79 Ca 0.16 -0.60 0.06 0.00 -2.06 0.00 0.00 59.70 57.27 2vak h MET 79 Cb 0.29 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 2vak h MET 79 CO 0.00 1.21 -0.14 1.25 1.06 0.00 0.00 176.91 180.29 2vak h LEU 80 N 0.53 -0.48 -0.61 1.22 5.85 -0.97 -1.10 115.31 119.75 2vak h LEU 80 Ca -0.03 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2vak h LEU 80 Cb 1.30 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2vak h LEU 80 CO 0.14 -0.18 0.31 0.45 -0.34 0.00 0.00 178.44 178.82 2vak h HIS 81 N -0.11 0.87 0.00 1.25 3.86 -1.10 -2.18 115.15 117.74 2vak h HIS 81 Ca 0.14 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2vak h HIS 81 Cb 0.33 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 2vak h HIS 81 CO -0.33 0.65 -0.16 0.77 0.86 0.00 0.00 177.93 179.72 2vak h SER 82 N 0.84 0.00 0.33 2.45 0.02 -0.89 -2.47 113.55 113.82 2vak h SER 82 Ca 0.21 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.84 2vak h SER 82 Cb 0.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2vak h SER 82 CO -0.03 0.16 -1.74 0.00 -1.14 0.00 0.00 176.83 174.07 2vak h ALA 83 N 1.84 0.42 0.00 3.77 0.00 -0.93 -3.41 119.26 120.95 2vak h ALA 83 Ca -0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 54.91 53.63 2vak h ALA 83 Cb 0.35 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2vak h ALA 83 CO 0.02 1.28 -1.73 0.25 0.00 0.00 0.00 179.25 179.06 2vak n THR 84 N -3.40 0.01 -0.11 0.00 -2.24 -0.85 -4.67 114.28 103.03 2vak n THR 84 Ca -0.22 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.00 2vak n THR 84 Cb 1.05 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 2vak n THR 84 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2vak n VAL 85 N -2.06 1.51 0.25 2.28 0.31 -0.94 -4.54 118.33 115.14 2vak n VAL 85 Ca -0.03 -0.10 0.14 0.00 -0.01 0.00 0.00 64.34 64.34 2vak n VAL 85 Cb 0.42 -2.13 0.81 0.00 -0.91 0.00 0.00 33.84 32.04 2vak n VAL 85 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2vak h PRO 86 N -1.00 0.00 0.00 5.55 0.11 -1.80 -1.94 132.00 132.92 2vak h PRO 86 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2vak h PRO 86 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2vak h PRO 86 CO -0.20 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.00 2vak n GLY 87 N -1.41 -1.22 0.33 -0.55 0.00 -1.26 -3.33 105.19 97.74 2vak n GLY 87 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.95 2vak n GLY 87 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2vak n VAL 88 N -1.40 0.03 0.16 1.61 3.14 -0.73 -4.61 118.33 116.54 2vak n VAL 88 Ca 0.09 -0.52 0.05 0.00 -2.96 0.00 0.00 64.34 61.00 2vak n VAL 88 Cb 0.24 1.15 0.09 0.00 -1.06 0.00 0.00 33.84 34.26 2vak n VAL 88 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2vak h LEU 89 N 1.60 0.00 -0.21 6.55 3.38 -1.62 -3.32 115.31 121.69 2vak h LEU 89 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2vak h LEU 89 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2vak h LEU 89 CO 0.00 0.36 0.20 0.61 0.09 0.00 0.00 178.44 179.71 2vak n GLY 90 N 1.12 -0.39 0.00 0.83 0.00 -1.26 -3.84 105.19 101.65 2vak n GLY 90 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2vak n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2vak n SER 91 N -1.49 0.00 0.28 1.61 2.88 -1.25 -5.00 113.62 110.65 2vak n SER 91 Ca -0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 2vak n SER 91 Cb 0.21 0.00 0.80 0.00 -0.75 0.00 0.00 64.21 64.47 2vak n SER 91 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2vak h ARG 92 N 0.00 0.00 -0.03 -1.46 9.65 -1.89 -3.08 114.38 117.56 2vak h ARG 92 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2vak h ARG 92 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2vak h ARG 92 CO 0.00 0.07 0.00 -0.25 2.80 0.00 0.00 179.97 182.59 2vak n ASP 93 N -3.36 1.67 -0.30 -3.80 8.00 -1.26 -4.70 116.55 112.80 2vak n ASP 93 Ca -0.01 -1.54 0.13 0.00 0.71 0.00 0.00 54.79 54.08 2vak n ASP 93 Cb 0.24 -0.02 0.37 0.00 -0.02 0.00 0.00 41.12 41.69 2vak n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vak h ALA 94 N 0.41 1.83 0.00 2.24 0.00 -1.82 -2.09 119.26 119.83 2vak h ALA 94 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2vak h ALA 94 Cb 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2vak h ALA 94 CO 0.00 -0.13 -0.02 0.11 0.00 0.00 0.00 179.25 179.21 2vak h TRP 95 N 0.69 0.00 0.23 0.00 5.08 -1.84 -2.26 115.95 117.85 2vak h TRP 95 Ca 0.50 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.46 2vak h TRP 95 Cb 0.85 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.01 2vak h TRP 95 CO -0.00 0.02 -0.12 0.00 -1.28 0.00 0.00 178.44 177.05 2vak h ARG 96 N 0.00 -0.32 -0.01 0.12 3.08 -1.71 -3.34 114.38 112.20 2vak h ARG 96 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2vak h ARG 96 Cb 0.12 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2vak h ARG 96 CO 0.00 -0.21 -0.05 0.25 -1.07 0.00 0.00 179.97 178.89 2vak n THR 97 N -5.24 0.00 -1.73 2.04 -2.24 -1.22 -4.99 114.28 100.90 2vak n THR 97 Ca -0.09 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 2vak n THR 97 Cb 0.16 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 2vak n THR 97 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2vak n PHE 98 N 0.06 2.74 -3.79 4.78 7.35 -0.85 -4.47 117.46 123.27 2vak n PHE 98 Ca 0.03 0.26 -0.13 0.00 -0.76 0.00 0.00 57.45 56.86 2vak n PHE 98 Cb 0.14 -2.58 -0.11 0.00 0.35 0.00 0.00 39.48 37.28 2vak n PHE 98 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2vak s ASN 99 N 0.53 -0.21 -0.16 -2.13 2.20 -1.26 -4.45 114.94 109.45 2vak s ASN 99 Ca 0.66 0.33 -0.11 0.00 -0.94 0.00 0.00 52.86 52.80 2vak s ASN 99 Cb -0.52 0.45 0.05 0.00 -2.00 0.00 0.00 41.25 39.23 2vak s ASN 99 CO 0.47 -0.21 0.40 0.54 -2.94 0.00 0.00 177.10 175.36 2vak s VAL 100 N -0.40 -0.02 -1.24 3.54 0.11 0.32 0.69 120.40 123.40 2vak s VAL 100 Ca -0.05 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.02 2vak s VAL 100 Cb -0.03 -0.58 0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2vak s VAL 100 CO 0.01 0.03 0.28 0.49 -3.33 0.00 0.00 175.10 172.58 2vak n PHE 101 N 3.81 -1.63 -0.94 1.54 3.72 -1.26 -0.91 117.46 121.79 2vak n PHE 101 Ca -0.20 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2vak n PHE 101 Cb 0.56 -3.12 0.00 0.00 -0.94 0.00 0.00 39.48 35.98 2vak n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vak n GLY 102 N -1.06 0.46 3.21 1.37 0.00 -1.26 -4.00 105.19 103.92 2vak n GLY 102 Ca -0.09 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 2vak n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vak s LEU 103 N 0.00 2.22 0.08 0.99 1.43 -0.09 0.04 118.68 123.35 2vak s LEU 103 Ca 0.00 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2vak s LEU 103 Cb 0.00 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 2vak s LEU 103 CO 0.00 0.06 -0.06 -0.44 0.23 0.00 0.00 176.35 176.14 2vak s SER 104 N -1.43 0.95 0.36 2.29 0.01 0.40 -0.52 113.70 115.76 2vak s SER 104 Ca 0.04 -0.91 -0.24 0.00 1.31 0.00 0.00 55.95 56.15 2vak s SER 104 Cb -0.09 0.10 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 2vak s SER 104 CO 0.02 -0.44 0.95 0.26 0.41 0.00 0.00 173.24 174.45 2vak s TRP 105 N -3.20 3.54 -0.64 2.43 0.52 -1.26 -0.63 118.94 119.69 2vak s TRP 105 Ca 0.06 1.72 0.25 0.00 0.02 0.00 0.00 56.10 58.15 2vak s TRP 105 Cb 0.03 -2.91 0.70 0.00 -1.15 0.00 0.00 33.47 30.13 2vak s TRP 105 CO -0.05 0.05 1.73 1.79 0.02 0.00 0.00 176.95 180.50 2vak h THR 106 N 2.35 0.00 -1.96 2.01 1.35 -1.66 -3.47 112.91 111.53 2vak h THR 106 Ca -0.48 -0.61 0.25 0.00 -0.55 0.00 0.00 66.41 65.02 2vak h THR 106 Cb 1.19 1.60 -0.09 0.00 -1.73 0.00 0.00 68.15 69.12 2vak h THR 106 CO 0.63 0.00 0.67 1.51 -0.25 0.00 0.00 175.52 178.08 2vak s ASP 107 N -4.99 -0.09 0.44 5.36 1.47 -1.26 -5.00 116.67 112.60 2vak s ASP 107 Ca 0.09 -0.31 0.15 0.00 1.18 0.00 0.00 52.55 53.67 2vak s ASP 107 Cb 0.10 0.33 1.01 0.00 -0.34 0.00 0.00 42.92 44.02 2vak s ASP 107 CO 0.61 -0.62 1.98 -0.08 0.68 0.00 0.00 175.17 177.74 2vak h GLU 108 N 2.00 0.00 0.00 2.11 4.81 -1.93 -1.33 114.58 120.24 2vak h GLU 108 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2vak h GLU 108 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2vak h GLU 108 CO 0.28 0.20 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 2vak n GLY 109 N -0.91 -0.98 3.55 1.92 0.00 -1.26 -4.92 105.19 102.59 2vak n GLY 109 Ca -0.02 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 2vak n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vak n LEU 110 N -1.30 -3.62 0.08 0.99 4.77 -0.50 -4.94 117.00 112.48 2vak n LEU 110 Ca 0.10 -0.70 -0.14 0.00 -0.03 0.00 0.00 56.01 55.23 2vak n LEU 110 Cb 0.17 -2.93 -0.06 0.00 -2.33 0.00 0.00 43.42 38.27 2vak n LEU 110 CO 0.16 0.40 0.13 0.28 -1.33 0.00 0.00 177.39 177.03 2vak h SER 111 N -1.90 0.48 -5.00 -1.43 0.02 -1.92 -3.47 113.55 100.33 2vak h SER 111 Ca -0.60 -0.41 -0.08 0.00 -0.84 0.00 0.00 61.79 59.86 2vak h SER 111 Cb 1.35 -0.15 -0.19 0.00 0.14 0.00 0.00 62.40 63.55 2vak h SER 111 CO 0.53 1.23 -0.05 -0.83 -1.14 0.00 0.00 176.83 176.58 2vak s GLY 112 N -4.48 -0.36 -0.12 -3.77 0.00 -1.26 -4.14 107.32 93.19 2vak s GLY 112 Ca -0.05 0.71 -0.03 0.00 0.00 0.00 0.00 44.72 45.35 2vak s GLY 112 CO 0.87 0.43 -0.00 1.08 0.00 0.00 0.00 173.10 175.47 2vak s LEU 113 N -1.47 3.51 0.23 0.66 1.43 -0.17 -1.69 118.68 121.17 2vak s LEU 113 Ca -0.10 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2vak s LEU 113 Cb -0.02 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2vak s LEU 113 CO 0.04 0.29 0.09 0.68 0.23 0.00 0.00 176.35 177.69 2vak s VAL 114 N -0.37 0.39 0.22 -1.59 -7.23 0.19 -4.82 120.40 107.19 2vak s VAL 114 Ca 0.07 -1.99 -0.32 0.00 -1.81 0.00 0.00 61.98 57.93 2vak s VAL 114 Cb -0.12 -2.51 -0.13 0.00 0.56 0.00 0.00 36.38 34.18 2vak s VAL 114 CO 0.02 -0.08 1.61 0.00 -0.31 0.00 0.00 175.10 176.34 2vak n ALA 115 N -0.36 2.14 -1.77 1.32 0.00 -1.26 -0.45 120.51 120.12 2vak n ALA 115 Ca -0.00 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 2vak n ALA 115 Cb 0.66 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2vak n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vak s ALA 116 N 0.62 2.94 0.16 0.00 0.00 0.11 -4.52 121.76 121.06 2vak s ALA 116 Ca 0.72 1.01 -0.34 0.00 0.00 0.00 0.00 51.96 53.35 2vak s ALA 116 Cb -0.57 -3.42 -0.15 0.00 0.00 0.00 0.00 23.12 18.99 2vak s ALA 116 CO 0.40 -0.80 1.43 0.94 0.00 0.00 0.00 175.76 177.74 2vak n GLN 117 N -0.59 1.73 -3.75 0.00 7.27 -1.26 -4.87 117.38 115.90 2vak n GLN 117 Ca 0.08 0.62 -0.23 0.00 0.07 0.00 0.00 57.00 57.54 2vak n GLN 117 Cb 0.47 -2.30 -0.17 0.00 2.41 0.00 0.00 30.24 30.65 2vak n GLN 117 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2vak s ASP 118 N 0.55 1.73 0.39 1.69 2.15 -1.26 -2.67 116.67 119.26 2vak s ASP 118 Ca 0.77 -0.18 -0.25 0.00 0.43 0.00 0.00 52.55 53.33 2vak s ASP 118 Cb -0.77 -0.43 -0.09 0.00 -0.30 0.00 0.00 42.92 41.33 2vak s ASP 118 CO 0.44 -0.22 1.10 -2.16 -0.17 0.00 0.00 175.17 174.17 2vak s PRO 119 N 1.98 4.14 -0.02 4.34 0.04 -1.26 -5.10 135.00 139.13 2vak s PRO 119 Ca 0.04 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 2vak s PRO 119 Cb -0.13 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 2vak s PRO 119 CO -0.06 -0.19 1.70 -1.25 0.04 0.00 0.00 177.00 177.24 2vak s PRO 120 N -2.34 4.18 0.27 0.56 0.04 -1.09 -4.90 135.00 131.72 2vak s PRO 120 Ca 0.57 2.27 -0.00 0.00 0.04 0.00 0.00 61.00 63.88 2vak s PRO 120 Cb -0.26 -3.94 0.52 0.00 0.04 0.00 0.00 34.50 30.85 2vak s PRO 120 CO 0.33 -0.84 1.81 -1.35 0.04 0.00 0.00 177.00 176.99 2vak h PRO 121 N 9.47 0.83 -5.87 0.56 0.11 -1.92 -3.42 132.00 131.76 2vak h PRO 121 Ca -0.41 -0.05 -0.64 0.00 0.11 0.00 0.00 66.00 65.01 2vak h PRO 121 Cb 1.19 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 2vak h PRO 121 CO 0.95 0.55 -0.51 0.00 -0.21 0.00 0.00 178.00 178.78 2vak s ALA 122 N -5.97 3.90 0.24 -0.75 0.00 -1.26 -5.08 121.76 112.83 2vak s ALA 122 Ca -0.12 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 2vak s ALA 122 Cb 0.22 -1.81 -0.12 0.00 0.00 0.00 0.00 23.12 21.40 2vak s ALA 122 CO 0.80 0.76 1.64 0.00 0.00 0.00 0.00 175.76 178.96 2vak n ALA 123 N 0.80 2.50 -1.71 0.00 0.00 -1.26 -4.84 120.51 116.00 2vak n ALA 123 Ca -0.10 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 2vak n ALA 123 Cb 0.52 -2.47 -0.00 0.00 0.00 0.00 0.00 19.45 17.50 2vak n ALA 123 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2vak n PRO 124 N 3.07 2.12 -1.85 0.00 -0.02 -1.26 -4.76 135.00 132.29 2vak n PRO 124 Ca 0.13 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.97 2vak n PRO 124 Cb 0.35 -2.37 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2vak n PRO 124 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2vak s TYR 125 N -1.12 2.37 -0.40 6.00 5.04 0.22 -4.99 117.35 124.46 2vak s TYR 125 Ca 0.57 1.40 0.04 0.00 -2.44 0.00 0.00 57.07 56.63 2vak s TYR 125 Cb -0.54 -3.74 0.11 0.00 0.35 0.00 0.00 41.96 38.14 2vak s TYR 125 CO 0.61 -2.69 0.13 -1.14 -1.34 0.00 0.00 175.55 171.12 2vak s GLN 126 N -2.87 1.66 0.69 4.97 2.00 -1.26 -4.75 119.66 120.10 2vak s GLN 126 Ca 0.70 -2.14 -0.17 0.00 -2.00 0.00 0.00 55.36 51.75 2vak s GLN 126 Cb -0.39 -3.25 -0.02 0.00 0.80 0.00 0.00 33.01 30.15 2vak s GLN 126 CO 0.46 -1.00 0.86 -2.30 -0.50 0.00 0.00 175.29 172.81 2vak n PRO 127 N 3.85 0.55 -4.33 1.67 -0.02 -1.26 -5.01 135.00 130.46 2vak n PRO 127 Ca 0.04 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 2vak n PRO 127 Cb 0.38 -2.11 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 2vak n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vak s ALA 128 N -1.76 3.32 -0.13 3.55 0.00 -1.26 -4.90 121.76 120.58 2vak s ALA 128 Ca 0.72 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 51.59 2vak s ALA 128 Cb -0.37 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2vak s ALA 128 CO 0.51 0.61 0.86 0.45 0.00 0.00 0.00 175.76 178.19 2vak s SER 129 N -1.08 7.06 -1.24 0.00 0.15 -1.26 -4.38 113.70 112.95 2vak s SER 129 Ca 0.15 1.29 -0.03 0.00 0.70 0.00 0.00 55.95 58.07 2vak s SER 129 Cb -0.11 -2.48 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2vak s SER 129 CO 0.05 -0.36 0.79 0.00 1.20 0.00 0.00 173.24 174.92 2vak n ALA 130 N 4.89 -2.13 -2.44 5.45 0.00 -1.12 -4.89 120.51 120.27 2vak n ALA 130 Ca 0.05 -0.12 -0.27 0.00 0.00 0.00 0.00 53.44 53.10 2vak n ALA 130 Cb 0.49 -2.70 -0.13 0.00 0.00 0.00 0.00 19.45 17.12 2vak n ALA 130 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vak s GLN 131 N -5.67 1.33 0.18 0.00 -1.52 -1.26 -4.82 119.66 107.90 2vak s GLN 131 Ca 0.10 -1.31 -0.18 0.00 -1.95 0.00 0.00 55.36 52.03 2vak s GLN 131 Cb -0.02 -1.74 -0.08 0.00 -0.22 0.00 0.00 33.01 30.95 2vak s GLN 131 CO 0.79 0.41 0.66 -1.58 -0.25 0.00 0.00 175.29 175.32 2vak s TRP 132 N -1.14 3.65 0.05 0.91 0.52 -1.26 -1.18 118.94 120.50 2vak s TRP 132 Ca 0.12 1.27 0.05 0.00 0.02 0.00 0.00 56.10 57.56 2vak s TRP 132 Cb -0.10 -2.53 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 2vak s TRP 132 CO 0.06 0.39 -0.14 -1.12 0.02 0.00 0.00 176.95 176.16 2vak s SER 133 N -1.63 1.62 -0.37 2.95 0.01 0.24 -4.96 113.70 111.57 2vak s SER 133 Ca 0.40 -0.53 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 2vak s SER 133 Cb -0.16 -0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.05 2vak s SER 133 CO 0.20 -0.03 0.17 -0.62 0.41 0.00 0.00 173.24 173.38 2vak s ASP 134 N -1.44 5.48 0.15 2.44 -1.08 -1.26 -0.05 116.67 120.91 2vak s ASP 134 Ca -0.01 -1.26 0.22 0.00 -0.52 0.00 0.00 52.55 50.99 2vak s ASP 134 Cb -0.09 -1.93 0.88 0.00 -1.46 0.00 0.00 42.92 40.33 2vak s ASP 134 CO 0.02 -0.41 1.68 0.18 0.52 0.00 0.00 175.17 177.16 2vak n LEU 135 N 4.87 0.44 0.08 -1.34 4.77 -0.43 -2.38 117.00 123.00 2vak n LEU 135 Ca -0.11 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2vak n LEU 135 Cb 0.44 -0.50 0.46 0.00 -2.33 0.00 0.00 43.42 41.50 2vak n LEU 135 CO 0.35 -0.34 0.89 0.18 -1.33 0.00 0.00 177.39 177.14 2vak n LEU 136 N -1.96 0.56 -0.09 2.23 4.77 -1.26 -2.82 117.00 118.43 2vak n LEU 136 Ca 0.04 0.57 0.26 0.00 -0.03 0.00 0.00 56.01 56.84 2vak n LEU 136 Cb 0.26 -0.41 0.72 0.00 -2.33 0.00 0.00 43.42 41.66 2vak n LEU 136 CO 0.21 -0.20 1.24 0.78 -1.33 0.00 0.00 177.39 178.09 2vak h ASN 137 N 0.00 0.00 -2.58 -1.43 2.35 -1.79 -3.37 115.58 108.76 2vak h ASN 137 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 2vak h ASN 137 Cb 0.60 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 2vak h ASN 137 CO 0.00 0.00 1.16 -0.47 -1.65 0.00 0.00 177.43 176.47 2vak s TYR 138 N -4.82 2.11 0.26 1.19 5.04 -1.13 -4.64 117.35 115.36 2vak s TYR 138 Ca -0.05 0.49 -0.12 0.00 -2.44 0.00 0.00 57.07 54.96 2vak s TYR 138 Cb 0.19 -4.33 0.36 0.00 0.35 0.00 0.00 41.96 38.53 2vak s TYR 138 CO 0.68 -2.13 1.56 -1.35 -1.34 0.00 0.00 175.55 172.97 2vak h PRO 139 N 11.91 -0.01 -1.01 4.97 0.11 -1.85 0.20 132.00 146.32 2vak h PRO 139 Ca -0.27 0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.07 2vak h PRO 139 Cb 1.11 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.12 2vak h PRO 139 CO 1.19 -0.01 0.63 -0.09 -0.21 0.00 0.00 178.00 179.51 2vak h ARG 140 N -0.01 0.53 0.07 1.05 9.65 -1.92 0.27 114.38 124.02 2vak h ARG 140 Ca 0.42 -0.03 -0.26 0.00 -1.10 0.00 0.00 59.98 59.00 2vak h ARG 140 Cb 0.66 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 2vak h ARG 140 CO -0.97 0.35 -1.25 -1.49 2.80 0.00 0.00 179.97 179.41 2vak h TRP 141 N 0.55 0.29 -0.59 2.20 6.55 -0.84 0.23 115.95 124.33 2vak h TRP 141 Ca 0.59 -0.21 -0.10 0.00 0.95 0.00 0.00 58.89 60.13 2vak h TRP 141 Cb 1.24 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 29.51 2vak h TRP 141 CO -0.00 1.19 -0.01 0.00 -1.05 0.00 0.00 178.44 178.56 2vak h ALA 142 N 0.73 0.80 0.29 1.49 0.00 -1.00 -3.20 119.26 118.37 2vak h ALA 142 Ca -0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2vak h ALA 142 Cb 1.92 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2vak h ALA 142 CO 0.16 0.65 -0.14 -0.91 0.00 0.00 0.00 179.25 179.01 2vak h ASN 143 N 0.95 -0.33 -3.40 0.00 -0.26 -0.44 -3.40 115.58 108.70 2vak h ASN 143 Ca 0.17 0.01 -0.74 0.00 -0.56 0.00 0.00 56.30 55.18 2vak h ASN 143 Cb 0.57 0.09 -0.28 0.00 -1.06 0.00 0.00 38.32 37.63 2vak h ASN 143 CO 0.03 -0.11 -0.29 0.00 -1.06 0.00 0.00 177.43 176.00 2vak s ARG 144 N -3.05 2.74 0.25 0.81 1.70 0.06 -4.94 118.95 116.52 2vak s ARG 144 Ca -0.06 -1.92 0.03 0.00 -0.47 0.00 0.00 55.73 53.32 2vak s ARG 144 Cb 0.01 -4.06 0.30 0.00 -0.57 0.00 0.00 34.95 30.63 2vak s ARG 144 CO 0.17 -1.24 1.60 -0.09 -1.08 0.00 0.00 175.30 174.67 2vak h ARG 145 N 8.33 0.32 -0.83 3.89 9.65 -1.77 -2.72 114.38 131.25 2vak h ARG 145 Ca -0.17 -0.19 0.15 0.00 -1.10 0.00 0.00 59.98 58.67 2vak h ARG 145 Cb 1.06 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.60 2vak h ARG 145 CO 0.87 0.75 0.54 0.07 2.80 0.00 0.00 179.97 185.01 2vak h ARG 146 N 0.25 0.55 -0.27 0.20 0.11 -1.92 -0.90 114.38 112.40 2vak h ARG 146 Ca 0.01 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 2vak h ARG 146 Cb 0.98 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.92 2vak h ARG 146 CO 0.08 0.36 -0.27 0.93 0.10 0.00 0.00 179.97 181.18 2vak h GLU 147 N 0.57 0.54 0.05 0.08 5.08 -1.84 -2.65 114.58 116.41 2vak h GLU 147 Ca 0.41 -0.22 -0.27 0.00 -1.00 0.00 0.00 59.36 58.29 2vak h GLU 147 Cb 0.78 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.02 2vak h GLU 147 CO -0.16 0.76 -1.08 1.25 -1.00 0.00 0.00 179.01 178.77 2vak h LEU 148 N 0.47 0.86 -1.56 1.33 5.85 -1.47 -3.32 115.31 117.47 2vak h LEU 148 Ca 0.06 -0.78 0.02 0.00 0.84 0.00 0.00 57.88 58.02 2vak h LEU 148 Cb 0.72 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2vak h LEU 148 CO 0.05 1.54 0.32 1.56 -0.34 0.00 0.00 178.44 181.58 2vak h GLN 149 N 0.28 0.58 0.00 1.25 4.20 -1.15 0.92 115.11 121.18 2vak h GLN 149 Ca -0.15 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.44 2vak h GLN 149 Cb 1.75 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 2vak h GLN 149 CO 0.21 0.38 -0.38 0.66 -0.67 0.00 0.00 178.83 179.03 2vak h SER 150 N 0.60 0.00 0.81 1.46 4.64 -1.61 -3.23 113.55 116.22 2vak h SER 150 Ca 0.19 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 2vak h SER 150 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 2vak h SER 150 CO -0.05 0.38 -1.28 0.11 -0.87 0.00 0.00 176.83 175.13 2vak h LYS 151 N 0.00 0.00 -0.81 4.77 1.57 -1.51 -3.42 116.57 117.17 2vak h LYS 151 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2vak h LYS 151 Cb 1.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 2vak h LYS 151 CO 0.05 0.31 0.36 -0.92 -0.57 0.00 0.00 179.45 178.68 2vak h TYR 152 N 0.00 1.19 -0.85 -1.35 3.20 -0.85 -2.36 116.97 115.95 2vak h TYR 152 Ca -0.14 -0.07 0.16 0.00 3.14 0.00 0.00 58.73 61.82 2vak h TYR 152 Cb 1.54 -0.36 -0.10 0.00 1.54 0.00 0.00 36.73 39.34 2vak h TYR 152 CO 0.00 0.88 0.42 -1.35 -1.64 0.00 0.00 178.16 176.47 2vak h PRO 153 N 1.16 0.55 -0.31 1.82 0.11 -1.81 0.83 132.00 134.34 2vak h PRO 153 Ca 0.27 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.37 2vak h PRO 153 Cb 0.16 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 2vak h PRO 153 CO -0.03 0.36 0.17 -0.07 -0.21 0.00 0.00 178.00 178.22 2vak h LEU 154 N 0.57 0.27 -0.34 2.35 3.38 -1.74 0.89 115.31 120.69 2vak h LEU 154 Ca 0.48 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.27 2vak h LEU 154 Cb 0.73 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2vak h LEU 154 CO -0.40 0.20 -0.84 -0.07 0.09 0.00 0.00 178.44 177.42 2vak h LEU 155 N 0.35 0.14 -0.79 1.67 3.38 -1.13 -2.72 115.31 116.22 2vak h LEU 155 Ca 0.12 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2vak h LEU 155 Cb 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2vak h LEU 155 CO -0.07 0.91 -0.56 0.25 0.09 0.00 0.00 178.44 179.07 2vak h LEU 156 N 0.06 0.15 -0.24 1.67 5.85 0.70 -1.58 115.31 121.91 2vak h LEU 156 Ca -0.03 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2vak h LEU 156 Cb 1.46 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2vak h LEU 156 CO 0.12 0.68 0.12 -0.09 -0.34 0.00 0.00 178.44 178.93 2vak h ARG 157 N 0.10 0.35 -0.44 1.25 2.43 -0.52 -1.14 114.38 116.42 2vak h ARG 157 Ca -0.00 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2vak h ARG 157 Cb 1.02 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 2vak h ARG 157 CO 0.08 0.35 0.19 0.77 -1.51 0.00 0.00 179.97 179.85 2vak h SER 158 N 0.26 0.24 -0.85 -3.80 0.02 -1.52 -1.49 113.55 106.41 2vak h SER 158 Ca 0.08 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.20 2vak h SER 158 Cb 0.12 -0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.57 2vak h SER 158 CO -0.01 0.18 0.47 0.74 -1.14 0.00 0.00 176.83 177.07 2vak h THR 159 N 0.38 0.81 0.06 -2.27 2.02 -1.06 -0.78 112.91 112.08 2vak h THR 159 Ca 0.20 -0.25 -0.22 0.00 0.77 0.00 0.00 66.41 66.91 2vak h THR 159 Cb 0.15 0.03 0.02 0.00 -1.74 0.00 0.00 68.15 66.61 2vak h THR 159 CO -0.17 0.13 -0.90 -0.07 0.37 0.00 0.00 175.52 174.88 2vak h LEU 160 N 0.72 0.68 -0.68 2.58 3.38 -0.98 -0.72 115.31 120.29 2vak h LEU 160 Ca 0.44 -0.81 0.03 0.00 0.09 0.00 0.00 57.88 57.63 2vak h LEU 160 Cb 0.53 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2vak h LEU 160 CO -0.31 1.42 0.42 0.25 0.09 0.00 0.00 178.44 180.31 2vak h LEU 161 N 0.03 0.68 -1.06 1.67 5.85 -1.14 -1.17 115.31 120.18 2vak h LEU 161 Ca -0.13 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 2vak h LEU 161 Cb 1.61 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2vak h LEU 161 CO 0.17 0.47 -0.45 0.28 -0.34 0.00 0.00 178.44 178.57 2vak h SER 162 N 0.82 0.04 0.76 1.25 0.02 -1.06 -3.07 113.55 112.30 2vak h SER 162 Ca 0.28 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 61.02 2vak h SER 162 Cb 0.04 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2vak h SER 162 CO -0.12 0.49 -0.90 0.00 -1.14 0.00 0.00 176.83 175.16 2vak h ALA 163 N 1.51 0.51 -2.80 3.77 0.00 -0.88 -3.45 119.26 117.93 2vak h ALA 163 Ca -0.00 -0.78 -0.52 0.00 0.00 0.00 0.00 54.91 53.61 2vak h ALA 163 Cb 0.82 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.54 2vak h ALA 163 CO 0.06 1.02 0.59 -1.64 0.00 0.00 0.00 179.25 179.28 2vak s MET 164 N -3.05 4.46 0.36 0.00 1.00 -0.46 -0.55 119.30 121.05 2vak s MET 164 Ca -0.01 2.03 0.14 0.00 0.00 0.00 0.00 55.69 57.85 2vak s MET 164 Cb 0.10 -3.15 0.67 0.00 0.00 0.00 0.00 34.83 32.46 2vak s MET 164 CO 0.82 -0.08 1.78 -0.09 0.00 0.00 0.00 175.02 177.45 2vak h ARG 165 N 4.11 0.00 0.00 2.03 2.43 -1.85 -3.45 114.38 117.65 2vak h ARG 165 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2vak h ARG 165 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2vak h ARG 165 CO 0.69 0.41 0.00 0.00 -1.51 0.00 0.00 179.97 179.57 2vak n ALA 166 N -2.43 0.00 -1.28 2.80 0.00 -1.26 -4.98 120.51 113.36 2vak n ALA 166 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 2vak n ALA 166 Cb 0.45 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.03 2vak n ALA 166 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vak s GLY 167 N 0.00 1.62 0.75 0.00 0.00 0.52 -5.01 107.32 105.20 2vak s GLY 167 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.53 2vak s GLY 167 CO 0.00 0.40 1.15 2.56 0.00 0.00 0.00 173.10 177.22 2vak s PRO 168 N -4.97 2.15 0.06 2.90 0.04 -1.26 -4.10 135.00 129.82 2vak s PRO 168 Ca 0.63 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 63.11 2vak s PRO 168 Cb -0.17 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2vak s PRO 168 CO 0.56 -1.78 0.35 0.54 0.04 0.00 0.00 177.00 176.72 2vak s VAL 169 N -2.34 5.17 -0.04 -0.36 0.11 -1.26 -2.72 120.40 118.96 2vak s VAL 169 Ca 0.69 0.29 0.01 0.00 -2.93 0.00 0.00 61.98 60.04 2vak s VAL 169 Cb -0.24 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2vak s VAL 169 CO 0.48 0.28 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.72 2vak s LEU 170 N -1.98 3.28 -0.46 2.54 1.43 0.66 -4.64 118.68 119.52 2vak s LEU 170 Ca 0.32 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 53.17 2vak s LEU 170 Cb -0.13 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2vak s LEU 170 CO 0.18 0.33 0.78 -0.47 0.23 0.00 0.00 176.35 177.40 2vak s TYR 171 N -0.92 2.99 -0.31 0.29 5.04 -1.26 -1.59 117.35 121.59 2vak s TYR 171 Ca 0.15 0.11 -0.00 0.00 -2.44 0.00 0.00 57.07 54.89 2vak s TYR 171 Cb -0.11 -3.66 0.07 0.00 0.35 0.00 0.00 41.96 38.61 2vak s TYR 171 CO 0.05 -1.00 0.01 0.08 -1.34 0.00 0.00 175.55 173.35 2vak s VAL 172 N 3.28 2.74 -0.05 3.14 1.01 0.58 -4.76 120.40 126.34 2vak s VAL 172 Ca 0.29 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.60 2vak s VAL 172 Cb -0.12 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2vak s VAL 172 CO 0.22 -0.25 -0.08 -0.70 0.00 0.00 0.00 175.10 174.29 2vak s GLU 173 N 1.15 1.14 0.10 2.72 2.12 -1.26 -0.53 118.70 124.14 2vak s GLU 173 Ca -0.02 -0.25 0.08 0.00 0.36 0.00 0.00 54.97 55.13 2vak s GLU 173 Cb -0.20 -1.03 -0.03 0.00 0.26 0.00 0.00 34.13 33.12 2vak s GLU 173 CO -0.03 0.00 -0.19 0.95 -0.54 0.00 0.00 175.26 175.45 2vak s THR 174 N 0.64 1.58 0.06 -1.70 -4.23 -0.79 -4.70 115.64 106.50 2vak s THR 174 Ca -0.11 -1.50 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 2vak s THR 174 Cb -0.13 -1.46 0.01 0.00 1.34 0.00 0.00 72.50 72.26 2vak s THR 174 CO 0.01 -0.11 0.24 -1.66 -0.54 0.00 0.00 174.62 172.56 2vak s TRP 175 N -1.22 0.02 0.20 3.99 -2.14 -1.26 -0.07 118.94 118.45 2vak s TRP 175 Ca 0.05 -0.27 -0.32 0.00 2.66 0.00 0.00 56.10 58.21 2vak s TRP 175 Cb -0.10 0.02 -0.12 0.00 -3.10 0.00 0.00 33.47 30.17 2vak s TRP 175 CO 0.04 -0.50 1.72 -2.30 -2.66 0.00 0.00 176.95 173.25 2vak n PRO 176 N 0.41 2.72 -2.42 3.25 -0.02 -1.26 -1.48 135.00 136.20 2vak n PRO 176 Ca -0.18 0.98 -0.14 0.00 -2.02 0.00 0.00 63.50 62.14 2vak n PRO 176 Cb 0.60 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2vak n PRO 176 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2vak n ASN 177 N 4.00 -4.41 0.09 2.55 4.13 -1.26 -4.95 115.26 115.42 2vak n ASN 177 Ca 0.16 -0.07 -0.12 0.00 1.68 0.00 0.00 54.58 56.23 2vak n ASN 177 Cb 0.34 -3.48 -0.05 0.00 -1.54 0.00 0.00 39.78 35.05 2vak n ASN 177 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vak h MET 178 N -0.29 -0.39 -5.15 3.52 -0.00 -1.65 -3.32 114.93 107.64 2vak h MET 178 Ca -0.34 0.03 -0.67 0.00 -0.00 0.00 0.00 59.70 58.72 2vak h MET 178 Cb 1.25 0.09 -0.17 0.00 -0.00 0.00 0.00 31.60 32.77 2vak h MET 178 CO 0.39 -0.26 0.15 0.42 -0.00 0.00 0.00 176.91 177.61 2vak s ILE 179 N -6.08 4.78 0.03 -0.10 1.01 -1.26 -4.85 121.20 114.72 2vak s ILE 179 Ca -0.15 -0.32 -0.28 0.00 0.00 0.00 0.00 60.65 59.90 2vak s ILE 179 Cb 0.08 -4.34 0.09 0.00 0.01 0.00 0.00 42.46 38.30 2vak s ILE 179 CO 0.66 -0.86 0.88 -0.94 0.00 0.00 0.00 174.94 174.67 2vak s SER 180 N 2.70 -0.35 1.32 3.58 1.04 -1.25 -4.72 113.70 116.01 2vak s SER 180 Ca 0.18 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2vak s SER 180 Cb -0.18 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2vak s SER 180 CO 0.14 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2vak n GLY 181 N -0.29 2.48 0.37 7.32 0.00 -1.26 -2.56 105.19 111.26 2vak n GLY 181 Ca -0.09 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.58 2vak n GLY 181 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2vak h ARG 182 N 0.00 1.08 -0.27 1.61 3.08 -2.00 -2.56 114.38 115.32 2vak h ARG 182 Ca 0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2vak h ARG 182 Cb 0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2vak h ARG 182 CO 0.00 0.71 0.01 1.25 -1.07 0.00 0.00 179.97 180.88 2vak h LEU 183 N 1.11 0.45 -1.46 3.04 5.85 -1.87 0.91 115.31 123.35 2vak h LEU 183 Ca 0.39 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2vak h LEU 183 Cb 0.11 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2vak h LEU 183 CO -0.13 0.64 0.44 0.00 -0.34 0.00 0.00 178.44 179.04 2vak h ALA 184 N 0.83 1.78 -0.05 1.25 0.00 -1.45 -0.30 119.26 121.33 2vak h ALA 184 Ca 0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2vak h ALA 184 Cb 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2vak h ALA 184 CO 0.01 0.10 -0.82 -0.44 0.00 0.00 0.00 179.25 178.10 2vak h ASP 185 N 0.65 0.52 0.12 0.00 3.32 -1.01 -0.61 116.42 119.40 2vak h ASP 185 Ca 0.29 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2vak h ASP 185 Cb 0.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2vak h ASP 185 CO -0.09 1.14 -0.06 -0.25 -1.72 0.00 0.00 179.24 178.26 2vak h TRP 186 N 0.27 -0.15 -0.44 4.55 7.01 -0.25 -1.96 115.95 124.98 2vak h TRP 186 Ca -0.05 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.03 2vak h TRP 186 Cb 1.43 0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 28.45 2vak h TRP 186 CO 0.05 -0.00 -0.07 0.74 -2.79 0.00 0.00 178.44 176.37 2vak h PHE 187 N -0.26 -0.15 -0.61 2.65 0.04 -0.92 -2.29 116.94 115.40 2vak h PHE 187 Ca -0.02 0.04 0.13 0.00 2.80 0.00 0.00 57.97 60.92 2vak h PHE 187 Cb 0.21 0.14 -0.11 0.00 2.20 0.00 0.00 35.95 38.39 2vak h PHE 187 CO -0.04 -0.15 -0.09 0.52 -0.60 0.00 0.00 178.31 177.95 2vak h MET 188 N 0.04 0.04 -0.01 1.51 2.86 -0.98 -0.48 114.93 117.92 2vak h MET 188 Ca 0.22 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2vak h MET 188 Cb 0.33 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2vak h MET 188 CO -0.42 0.03 0.21 0.66 1.06 0.00 0.00 176.91 178.45 2vak h SER 189 N 0.04 0.00 -0.62 1.22 4.64 -0.76 -1.93 113.55 116.13 2vak h SER 189 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2vak h SER 189 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2vak h SER 189 CO -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.37 2vak n GLN 190 N -2.99 2.66 -1.66 4.77 1.13 -0.19 -5.00 117.38 116.10 2vak n GLN 190 Ca -0.02 -2.54 -0.47 0.00 -1.94 0.00 0.00 57.00 52.03 2vak n GLN 190 Cb 0.27 -1.55 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 2vak n GLN 190 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2vak n TYR 191 N 1.58 2.18 0.00 1.08 9.36 -0.73 -1.56 117.16 129.08 2vak n TYR 191 Ca 0.23 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.75 2vak n TYR 191 Cb 0.61 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 2vak n TYR 191 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2vak n GLY 192 N 3.34 2.82 3.74 2.98 0.00 0.24 -5.00 105.19 113.31 2vak n GLY 192 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2vak n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vak s ASN 193 N -1.88 4.16 0.17 1.61 0.01 -0.60 -4.60 114.94 113.81 2vak s ASN 193 Ca 0.00 1.97 -0.12 0.00 -0.71 0.00 0.00 52.86 54.00 2vak s ASN 193 Cb 0.00 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.05 2vak s ASN 193 CO 0.00 -2.27 0.54 0.21 -1.51 0.00 0.00 177.10 174.07 2vak s ASN 194 N -3.03 6.74 0.12 -1.22 3.84 -1.26 -1.06 114.94 119.07 2vak s ASN 194 Ca 0.64 1.00 -0.24 0.00 0.21 0.00 0.00 52.86 54.47 2vak s ASN 194 Cb -0.20 -2.26 -0.05 0.00 -0.55 0.00 0.00 41.25 38.19 2vak s ASN 194 CO 0.54 0.05 1.66 0.15 -2.79 0.00 0.00 177.10 176.71 2vak h PHE 195 N 3.23 -0.51 -0.66 0.43 3.57 -1.25 -1.20 116.94 120.56 2vak h PHE 195 Ca -0.48 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.12 2vak h PHE 195 Cb 1.19 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 40.09 2vak h PHE 195 CO 0.64 -0.28 0.32 0.28 -2.23 0.00 0.00 178.31 177.04 2vak h VAL 196 N -0.31 0.86 -0.41 1.41 2.07 -1.90 -0.40 116.25 117.58 2vak h VAL 196 Ca 0.06 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2vak h VAL 196 Cb 0.39 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2vak h VAL 196 CO -0.19 0.10 0.18 0.44 0.02 0.00 0.00 177.57 178.12 2vak h ASP 197 N 0.56 0.52 -0.17 0.57 3.45 -1.91 -1.92 116.42 117.51 2vak h ASP 197 Ca 0.32 -0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.68 2vak h ASP 197 Cb 0.31 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 2vak h ASP 197 CO -0.25 0.46 -0.10 0.24 -1.57 0.00 0.00 179.24 178.02 2vak h MET 198 N 0.58 0.36 -0.71 3.56 2.86 0.13 -2.94 114.93 118.76 2vak h MET 198 Ca 0.14 -0.17 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2vak h MET 198 Cb 0.10 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 2vak h MET 198 CO -0.02 0.69 0.47 0.00 1.06 0.00 0.00 176.91 179.12 2vak h ALA 200 N 1.60 0.72 0.00 0.00 0.00 -1.30 -2.64 119.26 117.63 2vak h ALA 200 Ca 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vak h ALA 200 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2vak h ALA 200 CO -0.09 0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.64 2vak h ARG 201 N 0.79 -0.00 -0.13 0.00 3.08 -1.31 -2.57 114.38 114.24 2vak h ARG 201 Ca 0.16 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.25 2vak h ARG 201 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2vak h ARG 201 CO 0.02 0.01 0.16 -0.07 -1.07 0.00 0.00 179.97 179.01 2vak h LEU 202 N -0.02 0.00 0.13 3.04 3.38 -1.39 1.04 115.31 121.49 2vak h LEU 202 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2vak h LEU 202 Cb 0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.79 2vak h LEU 202 CO 0.00 0.00 -0.93 0.74 0.09 0.00 0.00 178.44 178.34 2vak h THR 203 N 0.00 1.43 0.00 0.22 2.02 -1.33 -2.84 112.91 112.41 2vak h THR 203 Ca 0.06 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.78 2vak h THR 203 Cb 0.38 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 2vak h THR 203 CO -0.00 0.71 0.00 1.67 0.37 0.00 0.00 175.52 178.27 2vak n GLN 204 N -4.04 0.21 0.03 6.66 -0.06 -0.54 -2.43 117.38 117.20 2vak n GLN 204 Ca -0.14 0.28 -0.06 0.00 -2.00 0.00 0.00 57.00 55.08 2vak n GLN 204 Cb 0.86 -1.79 -0.04 0.00 -4.06 0.00 0.00 30.24 25.20 2vak n GLN 204 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 2vak h SER 205 N 0.00 -0.16 0.00 1.69 0.02 0.99 -3.25 113.55 112.84 2vak h SER 205 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2vak h SER 205 Cb 0.56 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2vak h SER 205 CO 0.00 0.40 0.00 0.00 -1.14 0.00 0.00 176.83 176.09 2vak h SER 207 N 1.10 0.62 0.00 0.00 0.87 -1.52 -3.35 113.55 111.28 2vak h SER 207 Ca 0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2vak h SER 207 Cb 0.39 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2vak h SER 207 CO 0.00 0.94 0.00 -0.46 -0.53 0.00 0.00 176.83 176.78 2vak n ASN 208 N -4.38 0.00 0.00 6.23 0.23 -1.26 -5.05 115.26 111.02 2vak n ASN 208 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 2vak n ASN 208 Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 2vak n ASN 208 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 2vak n MET 209 N 0.00 0.00 -3.05 -3.83 1.56 -1.26 -4.73 117.12 105.81 2vak n MET 209 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 56.99 2vak n MET 209 Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 2vak n MET 209 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2vak s PRO 210 N 0.00 3.21 -0.31 2.12 0.05 -1.26 -4.86 135.00 133.95 2vak s PRO 210 Ca 0.00 -1.41 0.02 0.00 0.05 0.00 0.00 61.00 59.66 2vak s PRO 210 Cb 0.00 -4.39 0.08 0.00 0.05 0.00 0.00 34.50 30.23 2vak s PRO 210 CO 0.00 -1.62 -0.01 0.08 0.05 0.00 0.00 177.00 175.50 2vak s VAL 211 N 2.73 2.45 -0.08 -0.36 1.01 -1.26 -5.04 120.40 119.85 2vak s VAL 211 Ca 0.18 -1.85 -0.13 0.00 0.00 0.00 0.00 61.98 60.18 2vak s VAL 211 Cb -0.18 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2vak s VAL 211 CO 0.03 -0.28 0.31 -1.61 0.00 0.00 0.00 175.10 173.54 2vak s GLU 212 N 1.07 3.92 0.39 2.72 0.41 -1.26 -4.83 118.70 121.12 2vak s GLU 212 Ca -0.01 0.18 -0.26 0.00 -0.41 0.00 0.00 54.97 54.48 2vak s GLU 212 Cb -0.20 -3.28 -0.11 0.00 -1.78 0.00 0.00 34.13 28.76 2vak s GLU 212 CO -0.05 0.56 1.12 -2.30 -0.49 0.00 0.00 175.26 174.09 2vak n PRO 213 N 2.46 1.61 -1.80 0.39 -0.02 -1.26 -0.62 135.00 135.75 2vak n PRO 213 Ca -0.15 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2vak n PRO 213 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2vak n PRO 213 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2vak n ASP 214 N 0.55 0.00 -3.12 2.55 5.68 -1.26 -4.72 116.55 116.23 2vak n ASP 214 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 2vak n ASP 214 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2vak n ASP 214 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vak n GLY 215 N -0.67 -0.57 0.05 6.12 0.00 0.21 -4.84 105.19 105.49 2vak n GLY 215 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.48 2vak n GLY 215 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vak h ASN 216 N 0.00 -0.09 -0.97 1.61 2.35 -1.94 -3.13 115.58 113.40 2vak h ASN 216 Ca 0.00 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.99 2vak h ASN 216 Cb 0.00 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.32 2vak h ASN 216 CO 0.00 0.01 0.64 1.88 -1.65 0.00 0.00 177.43 178.32 2vak h TYR 217 N -0.28 0.56 -0.34 1.19 0.05 -1.96 -1.80 116.97 114.40 2vak h TYR 217 Ca -0.01 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 2vak h TYR 217 Cb 0.09 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2vak h TYR 217 CO 0.06 0.10 -0.39 0.22 -1.05 0.00 0.00 178.16 177.10 2vak h ASP 218 N 0.38 0.87 0.29 3.88 3.58 -1.82 -1.78 116.42 121.83 2vak h ASP 218 Ca 0.53 -0.40 -0.19 0.00 0.42 0.00 0.00 57.03 57.39 2vak h ASP 218 Cb 1.37 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 2vak h ASP 218 CO -0.21 1.16 -0.76 1.56 -2.88 0.00 0.00 179.24 178.10 2vak h GLN 219 N 0.67 0.39 -0.59 0.28 4.20 -1.29 -2.24 115.11 116.53 2vak h GLN 219 Ca 0.06 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.47 2vak h GLN 219 Cb 0.96 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 2vak h GLN 219 CO 0.09 0.98 0.35 1.96 -0.67 0.00 0.00 178.83 181.54 2vak h GLN 220 N 0.26 0.65 -0.14 1.46 4.20 -1.17 -0.99 115.11 119.38 2vak h GLN 220 Ca -0.04 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 2vak h GLN 220 Cb 1.35 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2vak h GLN 220 CO 0.13 0.43 -0.44 0.52 -0.67 0.00 0.00 178.83 178.80 2vak h MET 221 N 0.67 0.54 -0.55 1.46 2.86 -1.33 -1.72 114.93 116.86 2vak h MET 221 Ca 0.25 -0.40 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 2vak h MET 221 Cb 0.08 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2vak h MET 221 CO -0.13 1.02 0.10 0.00 1.06 0.00 0.00 176.91 178.96 2vak h ARG 222 N 0.17 0.88 -0.04 1.72 3.08 -1.28 -2.04 114.38 116.87 2vak h ARG 222 Ca -0.02 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 2vak h ARG 222 Cb 1.07 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 2vak h ARG 222 CO 0.09 0.81 -0.05 0.00 -1.07 0.00 0.00 179.97 179.76 2vak h ALA 223 N 1.27 0.06 -0.54 0.04 0.00 -1.17 -2.96 119.26 115.96 2vak h ALA 223 Ca 0.18 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2vak h ALA 223 Cb 0.36 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 2vak h ALA 223 CO 0.01 -0.14 -0.09 1.25 0.00 0.00 0.00 179.25 180.27 2vak h LEU 224 N -0.38 -0.42 -0.03 0.00 5.85 -1.27 0.39 115.31 119.46 2vak h LEU 224 Ca 0.00 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2vak h LEU 224 Cb 0.57 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2vak h LEU 224 CO 0.01 -0.15 -0.10 0.40 -0.34 0.00 0.00 178.44 178.26 2vak h ILE 225 N 0.03 0.74 -0.22 4.05 2.04 -1.43 -1.58 117.51 121.15 2vak h ILE 225 Ca 0.27 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.10 2vak h ILE 225 Cb 0.41 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2vak h ILE 225 CO -0.53 0.00 0.02 -1.28 0.00 0.00 0.00 178.15 176.36 2vak h SER 226 N -0.16 0.37 -0.61 1.72 0.87 -1.22 0.17 113.55 114.69 2vak h SER 226 Ca 0.05 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 2vak h SER 226 Cb 0.22 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2vak h SER 226 CO -0.12 0.57 0.29 0.25 -0.53 0.00 0.00 176.83 177.29 2vak h LEU 227 N 0.17 0.80 -0.09 2.23 5.85 -0.24 -0.76 115.31 123.27 2vak h LEU 227 Ca 0.07 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2vak h LEU 227 Cb 0.36 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2vak h LEU 227 CO 0.01 0.71 0.04 -0.25 -0.34 0.00 0.00 178.44 178.60 2vak h TRP 228 N 0.84 0.13 -0.83 1.25 7.01 -1.13 -2.60 115.95 120.62 2vak h TRP 228 Ca 0.21 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 2vak h TRP 228 Cb 0.12 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.10 2vak h TRP 228 CO 0.00 0.23 0.41 1.25 -2.79 0.00 0.00 178.44 177.54 2vak h LEU 229 N -0.01 1.07 -0.69 0.65 5.85 -0.41 0.27 115.31 122.04 2vak h LEU 229 Ca 0.03 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2vak h LEU 229 Cb 0.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2vak h LEU 229 CO -0.00 0.89 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.90 2vak h LEU 230 N 1.17 0.97 -0.12 2.25 3.38 -1.21 0.21 115.31 121.97 2vak h LEU 230 Ca 0.29 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2vak h LEU 230 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2vak h LEU 230 CO -0.04 1.04 0.06 0.28 0.09 0.00 0.00 178.44 179.87 2vak h SER 231 N 0.90 0.15 -0.87 -0.43 0.02 -1.02 -2.30 113.55 110.00 2vak h SER 231 Ca 0.16 -0.10 0.19 0.00 -0.84 0.00 0.00 61.79 61.20 2vak h SER 231 Cb 0.56 -0.04 -0.11 0.00 0.14 0.00 0.00 62.40 62.95 2vak h SER 231 CO 0.03 0.20 0.41 0.22 -1.14 0.00 0.00 176.83 176.55 2vak h TYR 232 N 0.08 0.69 0.00 3.45 3.20 -0.26 -1.56 116.97 122.57 2vak h TYR 232 Ca 0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2vak h TYR 232 Cb 0.09 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2vak h TYR 232 CO -0.04 0.05 -0.22 0.44 -1.64 0.00 0.00 178.16 176.75 2vak n ILE 233 N -4.97 0.20 0.00 1.81 -5.35 0.04 -4.75 119.36 106.34 2vak n ILE 233 Ca 0.20 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 2vak n ILE 233 Cb 0.56 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 2vak n ILE 233 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vak n GLY 234 N 1.43 1.21 0.24 3.28 0.00 -0.59 -3.83 105.19 106.93 2vak n GLY 234 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2vak n GLY 234 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2vak h VAL 235 N 0.00 0.41 -3.34 1.61 -1.51 -1.74 -3.41 116.25 108.28 2vak h VAL 235 Ca 0.00 -0.91 -0.65 0.00 -1.23 0.00 0.00 66.70 63.91 2vak h VAL 235 Cb 0.00 1.66 -0.25 0.00 -2.13 0.00 0.00 31.29 30.57 2vak h VAL 235 CO 0.00 0.15 -0.72 -0.69 -1.23 0.00 0.00 177.57 175.09 2vak s VAL 236 N -3.70 3.44 0.00 7.19 1.01 -0.95 -4.84 120.40 122.55 2vak s VAL 236 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2vak s VAL 236 Cb 0.10 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2vak s VAL 236 CO 0.61 0.49 0.00 -0.46 0.00 0.00 0.00 175.10 175.73 2vak n ASN 237 N 3.85 0.00 0.03 3.32 0.23 -1.04 -3.91 115.26 117.74 2vak n ASN 237 Ca -0.18 -0.87 0.15 0.00 -0.53 0.00 0.00 54.58 53.15 2vak n ASN 237 Cb 0.52 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.84 2vak n ASN 237 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2vak h GLN 238 N 0.00 0.14 -0.11 -3.83 4.15 -1.96 -1.85 115.11 111.64 2vak h GLN 238 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2vak h GLN 238 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2vak h GLN 238 CO 0.00 0.09 0.00 0.25 -1.93 0.00 0.00 178.83 177.24 2vak n THR 239 N -4.45 0.14 -2.93 2.39 -2.24 -1.26 -4.67 114.28 101.26 2vak n THR 239 Ca 0.07 -0.57 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 2vak n THR 239 Cb 0.41 1.31 -0.00 0.00 -2.10 0.00 0.00 70.33 69.94 2vak n THR 239 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2vak n ASN 240 N 1.22 -1.85 -4.83 3.42 5.15 -0.70 -3.39 115.26 114.27 2vak n ASN 240 Ca 0.14 -3.00 -0.24 0.00 -0.60 0.00 0.00 54.58 50.88 2vak n ASN 240 Cb 0.53 0.89 0.07 0.00 -0.53 0.00 0.00 39.78 40.75 2vak n ASN 240 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2vak s THR 241 N 0.10 2.37 -0.33 -0.44 -4.23 0.04 -2.49 115.64 110.66 2vak s THR 241 Ca 0.33 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 2vak s THR 241 Cb 0.17 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 71.20 2vak s THR 241 CO -0.18 0.00 0.06 -0.63 -0.54 0.00 0.00 174.62 173.33 2vak s ILE 242 N -3.07 3.09 -1.08 2.99 1.01 -0.64 -1.72 121.20 121.78 2vak s ILE 242 Ca 0.61 -1.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 2vak s ILE 242 Cb -0.09 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.50 2vak s ILE 242 CO 0.43 -0.28 0.05 -1.20 0.00 0.00 0.00 174.94 173.93 2vak n SER 243 N 4.61 -3.94 0.00 3.58 7.64 -1.26 -1.35 113.62 122.90 2vak n SER 243 Ca -0.10 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2vak n SER 243 Cb 0.43 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.29 2vak n SER 243 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vak n GLY 244 N -0.85 2.07 3.88 0.23 0.00 -1.26 -4.94 105.19 104.33 2vak n GLY 244 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2vak n GLY 244 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vak s PHE 245 N -2.50 3.55 0.19 1.61 0.08 -0.46 0.15 117.98 120.60 2vak s PHE 245 Ca 0.00 0.63 -0.21 0.00 0.12 0.00 0.00 56.93 57.47 2vak s PHE 245 Cb 0.00 -2.05 0.05 0.00 -0.57 0.00 0.00 43.02 40.46 2vak s PHE 245 CO 0.00 0.53 0.60 1.52 -0.10 0.00 0.00 175.22 177.77 2vak s TYR 246 N -1.44 -0.39 -0.14 0.36 1.13 -1.06 -1.61 117.35 114.20 2vak s TYR 246 Ca 0.33 0.11 -0.07 0.00 -1.41 0.00 0.00 57.07 56.03 2vak s TYR 246 Cb -0.13 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 2vak s TYR 246 CO 0.20 -0.92 0.12 -0.06 -2.51 0.00 0.00 175.55 172.37 2vak s PHE 247 N -3.80 3.50 0.08 -3.49 0.40 -1.26 -0.81 117.98 112.60 2vak s PHE 247 Ca 0.04 0.43 0.10 0.00 -0.60 0.00 0.00 56.93 56.90 2vak s PHE 247 Cb -0.02 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 2vak s PHE 247 CO -0.08 0.59 -0.26 0.45 0.70 0.00 0.00 175.22 176.62 2vak s SER 248 N -0.63 3.10 -0.07 1.36 0.15 0.11 -4.86 113.70 112.86 2vak s SER 248 Ca 0.13 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2vak s SER 248 Cb -0.12 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 2vak s SER 248 CO 0.02 0.20 -0.05 -0.55 1.20 0.00 0.00 173.24 174.06 2vak s SER 249 N -1.58 1.45 0.25 5.45 0.15 -1.26 -0.02 113.70 118.14 2vak s SER 249 Ca 0.12 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 2vak s SER 249 Cb -0.10 -0.58 0.48 0.00 -1.71 0.00 0.00 66.02 64.11 2vak s SER 249 CO 0.04 -0.08 1.69 0.11 1.20 0.00 0.00 173.24 176.19 2vak h LYS 250 N 7.58 0.28 -6.18 5.44 1.57 -1.94 -3.43 116.57 119.89 2vak h LYS 250 Ca -0.31 -0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 57.90 2vak h LYS 250 Cb 1.15 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.31 2vak h LYS 250 CO 0.41 0.18 -0.60 0.95 -0.57 0.00 0.00 179.45 179.82 2vak s THR 251 N -6.03 3.49 -0.03 -0.16 -4.23 -1.26 -5.11 115.64 102.31 2vak s THR 251 Ca -0.13 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2vak s THR 251 Cb 0.22 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 71.13 2vak s THR 251 CO 0.76 -0.33 0.04 -0.60 -0.54 0.00 0.00 174.62 173.95 2vak s ARG 252 N -3.74 -0.04 0.00 3.99 6.06 -1.26 -4.58 118.95 119.38 2vak s ARG 252 Ca 0.33 0.25 0.00 0.00 -2.50 0.00 0.00 55.73 53.81 2vak s ARG 252 Cb -0.06 -0.34 0.00 0.00 0.06 0.00 0.00 34.95 34.62 2vak s ARG 252 CO 0.21 -0.22 0.00 0.41 -2.50 0.00 0.00 175.30 173.20 2vak n GLY 253 N 4.53 0.75 3.47 8.12 0.00 -1.26 -4.33 105.19 116.47 2vak n GLY 253 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2vak n GLY 253 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2vak s GLN 254 N -0.53 1.81 0.28 1.61 -2.07 -1.26 -4.38 119.66 115.11 2vak s GLN 254 Ca 0.00 -2.08 -0.01 0.00 -1.82 0.00 0.00 55.36 51.46 2vak s GLN 254 Cb 0.00 -0.56 0.64 0.00 -1.09 0.00 0.00 33.01 31.99 2vak s GLN 254 CO 0.00 -0.42 1.64 0.00 -1.32 0.00 0.00 175.29 175.19 2vak h ALA 255 N 1.93 1.13 0.00 2.60 0.00 -1.96 -2.60 119.26 120.36 2vak h ALA 255 Ca -0.36 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2vak h ALA 255 Cb 1.26 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2vak h ALA 255 CO 0.58 -0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.65 2vak n LEU 256 N -5.29 0.71 -4.44 0.00 4.77 -1.26 -4.92 117.00 106.56 2vak n LEU 256 Ca 0.19 0.61 -0.52 0.00 -0.03 0.00 0.00 56.01 56.26 2vak n LEU 256 Cb 0.63 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2vak n LEU 256 CO 0.05 -0.35 0.23 0.47 -1.33 0.00 0.00 177.39 176.46 2vak n ASP 257 N -2.21 -0.70 -3.31 -1.43 9.92 -0.98 -4.83 116.55 112.99 2vak n ASP 257 Ca 0.04 1.14 0.03 0.00 -0.53 0.00 0.00 54.79 55.47 2vak n ASP 257 Cb 0.33 -0.94 -0.03 0.00 -0.64 0.00 0.00 41.12 39.84 2vak n ASP 257 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2vak s SER 258 N -0.59 -0.87 -0.32 -2.24 0.15 -1.26 -5.06 113.70 103.51 2vak s SER 258 Ca 0.75 0.83 -0.14 0.00 0.70 0.00 0.00 55.95 58.09 2vak s SER 258 Cb -1.06 1.84 -0.02 0.00 -1.71 0.00 0.00 66.02 65.07 2vak s SER 258 CO 0.56 -0.16 0.32 0.26 1.20 0.00 0.00 173.24 175.42 2vak s TRP 259 N 2.76 3.22 -0.05 3.44 0.52 -1.26 -4.21 118.94 123.36 2vak s TRP 259 Ca 0.04 0.01 -0.01 0.00 0.02 0.00 0.00 56.10 56.16 2vak s TRP 259 Cb -0.11 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 2vak s TRP 259 CO -0.17 -0.36 0.01 0.99 0.02 0.00 0.00 176.95 177.44 2vak s THR 260 N 1.93 4.34 -0.27 2.01 2.01 0.97 -0.64 115.64 125.99 2vak s THR 260 Ca 0.10 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 2vak s THR 260 Cb -0.17 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2vak s THR 260 CO 0.11 0.52 1.19 -0.22 -0.69 0.00 0.00 174.62 175.53 2vak s LEU 261 N -1.16 3.98 0.41 4.42 2.96 -0.23 0.08 118.68 129.15 2vak s LEU 261 Ca 0.16 1.27 0.07 0.00 -0.22 0.00 0.00 54.13 55.41 2vak s LEU 261 Cb -0.11 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2vak s LEU 261 CO 0.06 -0.91 0.19 -0.36 -1.32 0.00 0.00 176.35 174.01 2vak s PHE 262 N 3.84 2.60 -0.03 5.38 0.08 0.01 0.81 117.98 130.67 2vak s PHE 262 Ca 0.51 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.98 2vak s PHE 262 Cb -0.16 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2vak s PHE 262 CO 0.17 0.17 -0.03 -0.47 -0.10 0.00 0.00 175.22 174.96 2vak s TYR 263 N -2.60 0.55 -0.09 0.36 5.04 -1.26 -2.55 117.35 116.80 2vak s TYR 263 Ca 0.41 -0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.94 2vak s TYR 263 Cb 0.04 -0.53 -0.02 0.00 0.35 0.00 0.00 41.96 41.79 2vak s TYR 263 CO 0.23 -0.15 -0.14 0.99 -1.34 0.00 0.00 175.55 175.14 2vak s THR 264 N 0.86 3.06 0.09 4.34 2.01 0.40 -4.99 115.64 121.41 2vak s THR 264 Ca -0.10 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.23 2vak s THR 264 Cb -0.13 -2.25 -0.24 0.00 0.01 0.00 0.00 72.50 69.89 2vak s THR 264 CO -0.00 0.55 1.17 0.74 -0.69 0.00 0.00 174.62 176.39 2vak h THR 265 N 4.94 1.56 0.00 -0.82 2.02 -1.97 -3.39 112.91 115.25 2vak h THR 265 Ca -0.35 -3.22 0.00 0.00 0.77 0.00 0.00 66.41 63.61 2vak h THR 265 Cb 1.19 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 2vak h THR 265 CO 0.53 0.92 -0.10 -0.46 0.37 0.00 0.00 175.52 176.78 2vak n ASN 266 N -3.41 1.62 -4.63 4.18 6.94 -1.26 -5.06 115.26 113.63 2vak n ASN 266 Ca -0.05 -2.50 -0.29 0.00 -0.02 0.00 0.00 54.58 51.73 2vak n ASN 266 Cb 0.98 -0.27 -0.11 0.00 -2.36 0.00 0.00 39.78 38.03 2vak n ASN 266 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2vak s THR 267 N -1.71 1.88 0.20 5.53 -4.23 -1.26 -5.08 115.64 110.97 2vak s THR 267 Ca 0.17 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.36 2vak s THR 267 Cb 0.15 -2.89 -0.12 0.00 1.34 0.00 0.00 72.50 70.98 2vak s THR 267 CO 0.02 0.00 1.73 -3.20 -0.54 0.00 0.00 174.62 172.63 2vak n ASN 268 N -1.00 4.01 -4.50 3.99 5.15 -1.22 -4.85 115.26 116.84 2vak n ASN 268 Ca -0.07 1.05 -0.35 0.00 -0.60 0.00 0.00 54.58 54.62 2vak n ASN 268 Cb 0.67 -1.57 -0.12 0.00 -0.53 0.00 0.00 39.78 38.23 2vak n ASN 268 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2vak s ARG 269 N 1.29 3.71 0.60 1.20 0.52 -1.26 -0.78 118.95 124.23 2vak s ARG 269 Ca 0.76 -0.47 -0.19 0.00 -0.52 0.00 0.00 55.73 55.30 2vak s ARG 269 Cb -0.50 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 31.80 2vak s ARG 269 CO 0.33 0.07 1.22 0.14 0.02 0.00 0.00 175.30 177.07 2vak s VAL 270 N 0.88 2.55 -0.30 3.52 -7.23 -0.70 -4.95 120.40 114.16 2vak s VAL 270 Ca 0.02 0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 60.48 2vak s VAL 270 Cb -0.14 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.68 2vak s VAL 270 CO 0.02 -0.07 0.06 -1.10 -0.31 0.00 0.00 175.10 173.70 2vak s GLN 271 N -3.31 2.86 -0.17 4.82 -1.52 -1.26 -4.76 119.66 116.32 2vak s GLN 271 Ca 0.78 -1.00 -0.21 0.00 -1.95 0.00 0.00 55.36 52.97 2vak s GLN 271 Cb -0.32 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.12 2vak s GLN 271 CO 0.34 -0.52 0.63 0.42 -0.25 0.00 0.00 175.29 175.92 2vak s ILE 272 N 1.42 5.04 -0.02 1.08 1.01 -1.26 -4.41 121.20 124.06 2vak s ILE 272 Ca 0.00 1.22 0.11 0.00 0.00 0.00 0.00 60.65 61.98 2vak s ILE 272 Cb -0.18 -3.95 -0.17 0.00 0.01 0.00 0.00 42.46 38.17 2vak s ILE 272 CO 0.01 0.15 0.24 0.35 0.00 0.00 0.00 174.94 175.69 2vak n THR 273 N 4.43 0.00 -4.33 2.92 -2.24 -1.16 -4.10 114.28 109.79 2vak n THR 273 Ca -0.02 -0.24 -0.19 0.00 -2.27 0.00 0.00 64.05 61.33 2vak n THR 273 Cb 0.50 0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.90 2vak n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vak s GLN 274 N -2.73 1.58 0.20 -0.78 -2.07 -1.26 -4.85 119.66 109.75 2vak s GLN 274 Ca -0.04 -1.90 -0.30 0.00 -1.82 0.00 0.00 55.36 51.30 2vak s GLN 274 Cb 0.07 -0.09 -0.08 0.00 -1.09 0.00 0.00 33.01 31.82 2vak s GLN 274 CO 0.44 -0.45 1.06 0.50 -1.32 0.00 0.00 175.29 175.52 2vak s ARG 275 N -3.82 4.66 -0.02 9.60 3.52 -1.26 -4.08 118.95 127.55 2vak s ARG 275 Ca 0.36 1.67 0.06 0.00 -0.13 0.00 0.00 55.73 57.69 2vak s ARG 275 Cb 0.05 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 2vak s ARG 275 CO 0.17 0.19 -0.21 -1.01 -0.81 0.00 0.00 175.30 173.64 2vak s HIS 276 N -0.57 1.87 -0.04 5.12 3.76 0.90 -5.00 115.29 121.33 2vak s HIS 276 Ca 0.47 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.97 2vak s HIS 276 Cb -0.29 -1.21 0.02 0.00 1.11 0.00 0.00 32.58 32.21 2vak s HIS 276 CO 0.35 -0.05 0.09 0.12 -0.85 0.00 0.00 174.74 174.40 2vak s PHE 277 N -0.43 -0.09 0.01 1.40 5.36 -1.26 -1.88 117.98 121.08 2vak s PHE 277 Ca 0.06 0.28 -0.12 0.00 -0.96 0.00 0.00 56.93 56.19 2vak s PHE 277 Cb -0.09 -0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.58 2vak s PHE 277 CO -0.00 -0.08 0.26 0.00 -1.46 0.00 0.00 175.22 173.94 2vak s ALA 278 N 0.44 -0.62 -0.17 11.12 0.00 0.32 -5.02 121.76 127.83 2vak s ALA 278 Ca -0.03 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 2vak s ALA 278 Cb -0.05 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 2vak s ALA 278 CO -0.02 -0.29 0.24 0.71 0.00 0.00 0.00 175.76 176.40 2vak s TYR 279 N -1.73 3.45 -0.06 0.00 2.02 -1.26 -0.31 117.35 119.46 2vak s TYR 279 Ca -0.11 0.51 0.01 0.00 -0.37 0.00 0.00 57.07 57.11 2vak s TYR 279 Cb -0.04 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.26 2vak s TYR 279 CO 0.01 0.27 -0.06 0.08 -1.57 0.00 0.00 175.55 174.28 2vak s VAL 280 N 0.39 0.69 0.20 0.71 1.01 -0.62 -0.23 120.40 122.55 2vak s VAL 280 Ca 0.14 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.04 2vak s VAL 280 Cb -0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2vak s VAL 280 CO 0.02 0.27 -0.13 0.00 0.00 0.00 0.00 175.10 175.26 2vak s ALA 282 N -1.85 3.56 0.12 0.00 0.00 -1.10 -0.69 121.76 121.80 2vak s ALA 282 Ca 0.25 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 2vak s ALA 282 Cb -0.08 -3.68 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 2vak s ALA 282 CO 0.14 -1.38 1.39 -0.09 0.00 0.00 0.00 175.76 175.82 2vak h ARG 283 N 8.74 0.84 -6.02 0.00 2.43 -1.05 0.15 114.38 119.47 2vak h ARG 283 Ca -0.28 -0.54 -0.57 0.00 -0.81 0.00 0.00 59.98 57.78 2vak h ARG 283 Cb 1.11 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 2vak h ARG 283 CO 0.99 1.17 -0.46 -1.54 -1.51 0.00 0.00 179.97 178.62 2vak s SER 284 N -6.90 6.36 0.59 -3.80 1.04 -1.24 -4.51 113.70 105.24 2vak s SER 284 Ca -0.11 0.26 0.37 0.00 0.48 0.00 0.00 55.95 56.95 2vak s SER 284 Cb 0.10 -1.95 1.71 0.00 0.10 0.00 0.00 66.02 65.98 2vak s SER 284 CO 0.88 0.09 2.11 -0.65 0.98 0.00 0.00 173.24 176.65 2vak h PRO 285 N 2.54 0.00 0.00 4.02 0.11 -1.92 -2.79 132.00 133.96 2vak h PRO 285 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2vak h PRO 285 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2vak h PRO 285 CO 0.72 0.00 0.16 -0.40 -0.21 0.00 0.00 178.00 178.27 2vak n ASP 286 N -3.09 0.00 -0.10 -2.05 5.68 -1.26 -1.57 116.55 114.16 2vak n ASP 286 Ca -0.01 0.28 0.12 0.00 -0.50 0.00 0.00 54.79 54.69 2vak n ASP 286 Cb 0.23 -0.28 0.50 0.00 -1.14 0.00 0.00 41.12 40.43 2vak n ASP 286 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 2vak h TRP 287 N 0.00 0.44 -0.64 2.11 5.08 -1.87 -1.53 115.95 119.53 2vak h TRP 287 Ca 0.00 0.01 0.19 0.00 1.08 0.00 0.00 58.89 60.17 2vak h TRP 287 Cb 0.33 -0.14 -0.03 0.00 -3.00 0.00 0.00 29.16 26.32 2vak h TRP 287 CO 0.00 0.20 0.49 -0.91 -1.28 0.00 0.00 178.44 176.95 2vak h ASN 288 N 0.41 0.00 0.00 0.11 2.35 -1.58 -0.31 115.58 116.55 2vak h ASN 288 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2vak h ASN 288 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2vak h ASN 288 CO -0.08 0.00 -1.34 0.55 -1.65 0.00 0.00 177.43 174.90 2vak n VAL 289 N -4.20 0.00 -2.65 2.81 3.14 -0.60 -1.61 118.33 115.23 2vak n VAL 289 Ca 0.13 -0.21 -0.42 0.00 -2.96 0.00 0.00 64.34 60.87 2vak n VAL 289 Cb 0.75 0.60 -0.03 0.00 -1.06 0.00 0.00 33.84 34.09 2vak n VAL 289 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2vak s ASP 290 N -3.47 6.36 0.00 6.55 -1.08 -0.13 -4.84 116.67 120.06 2vak s ASP 290 Ca 0.01 -1.15 0.29 0.00 -0.52 0.00 0.00 52.55 51.18 2vak s ASP 290 Cb 0.14 -2.52 1.19 0.00 -1.46 0.00 0.00 42.92 40.27 2vak s ASP 290 CO 0.82 -1.54 1.90 2.29 0.52 0.00 0.00 175.17 179.16 2vak n LYS 291 N 8.55 0.02 0.07 4.34 2.85 -1.26 -1.76 118.16 130.96 2vak n LYS 291 Ca 0.17 -0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.26 2vak n LYS 291 Cb 0.49 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.23 2vak n LYS 291 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2vak h SER 292 N 0.00 0.40 -0.50 -5.58 0.02 -1.95 -2.34 113.55 103.61 2vak h SER 292 Ca 0.00 -0.54 -0.11 0.00 -0.84 0.00 0.00 61.79 60.30 2vak h SER 292 Cb 0.49 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2vak h SER 292 CO 0.00 1.44 -0.10 -0.25 -1.14 0.00 0.00 176.83 176.78 2vak h TRP 293 N 0.07 1.08 -0.06 3.45 2.91 -1.86 -2.78 115.95 118.77 2vak h TRP 293 Ca -0.23 -0.22 -0.02 0.00 1.13 0.00 0.00 58.89 59.55 2vak h TRP 293 Cb 2.01 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 30.39 2vak h TRP 293 CO 0.06 1.01 -0.05 0.82 -1.03 0.00 0.00 178.44 179.25 2vak h ILE 294 N 0.87 1.36 -0.89 2.65 2.04 -1.42 -1.39 117.51 120.73 2vak h ILE 294 Ca 0.14 -1.17 0.12 0.00 1.00 0.00 0.00 64.86 64.95 2vak h ILE 294 Cb 0.65 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 38.66 2vak h ILE 294 CO 0.05 0.32 0.51 0.00 0.00 0.00 0.00 178.15 179.02 2vak h ALA 295 N 0.57 1.32 -0.44 1.87 0.00 -1.48 -0.82 119.26 120.27 2vak h ALA 295 Ca 0.01 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2vak h ALA 295 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2vak h ALA 295 CO 0.01 0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.22 2vak h ALA 296 N 1.52 0.99 0.00 0.00 0.00 -1.36 -1.89 119.26 118.51 2vak h ALA 296 Ca 0.45 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2vak h ALA 296 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2vak h ALA 296 CO -0.29 0.60 -0.41 0.00 0.00 0.00 0.00 179.25 179.15 2vak h ALA 297 N 1.17 1.05 -0.16 0.00 0.00 -0.65 0.33 119.26 120.99 2vak h ALA 297 Ca 0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2vak h ALA 297 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2vak h ALA 297 CO 0.04 0.51 -0.08 -0.91 0.00 0.00 0.00 179.25 178.80 2vak h ASN 298 N 0.00 0.36 -0.70 0.00 2.35 -0.94 -2.88 115.58 113.77 2vak h ASN 298 Ca -0.00 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 2vak h ASN 298 Cb 0.88 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 2vak h ASN 298 CO 0.05 0.70 0.33 -0.07 -1.65 0.00 0.00 177.43 176.79 2vak h LEU 299 N 0.02 0.92 -0.87 1.61 3.38 -1.18 -2.81 115.31 116.38 2vak h LEU 299 Ca 0.04 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.09 2vak h LEU 299 Cb 0.56 -0.24 -0.13 0.00 0.09 0.00 0.00 40.66 40.95 2vak h LEU 299 CO 0.02 0.80 0.31 0.74 0.09 0.00 0.00 178.44 180.40 2vak h THR 300 N 0.97 0.42 -0.08 0.22 2.02 -0.98 -0.33 112.91 115.15 2vak h THR 300 Ca 0.24 -0.11 -0.18 0.00 0.77 0.00 0.00 66.41 67.14 2vak h THR 300 Cb 0.13 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2vak h THR 300 CO -0.03 0.06 -0.69 0.00 0.37 0.00 0.00 175.52 175.22 2vak h ALA 301 N 1.72 0.65 -0.01 6.16 0.00 -1.27 0.35 119.26 126.86 2vak h ALA 301 Ca 0.54 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2vak h ALA 301 Cb 1.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2vak h ALA 301 CO -0.57 0.75 0.00 0.82 0.00 0.00 0.00 179.25 180.26 2vak h ILE 302 N 0.27 1.21 -0.26 0.00 2.04 -1.36 -1.35 117.51 118.05 2vak h ILE 302 Ca -0.02 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.26 2vak h ILE 302 Cb 1.25 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 2vak h ILE 302 CO 0.12 0.16 -0.04 0.58 0.00 0.00 0.00 178.15 178.97 2vak h VAL 303 N -0.25 0.77 0.00 1.67 2.07 -0.95 -2.65 116.25 116.92 2vak h VAL 303 Ca 0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 2vak h VAL 303 Cb 0.27 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2vak h VAL 303 CO 0.00 0.01 -0.30 0.24 0.02 0.00 0.00 177.57 177.54 2vak h MET 304 N 0.03 0.00 -0.34 1.57 2.86 -0.97 -3.24 114.93 114.84 2vak h MET 304 Ca 0.13 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 2vak h MET 304 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2vak h MET 304 CO -0.24 0.30 -0.20 0.00 1.06 0.00 0.00 176.91 177.82 2vak h ALA 305 N 1.70 0.48 -0.00 6.32 0.00 -0.89 -3.22 119.26 123.66 2vak h ALA 305 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2vak h ALA 305 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2vak h ALA 305 CO 0.04 0.42 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 2vak s ARG 307 N -2.36 1.91 -0.83 0.00 1.70 -1.22 -3.69 118.95 114.46 2vak s ARG 307 Ca 0.36 -2.16 -0.08 0.00 -0.47 0.00 0.00 55.73 53.38 2vak s ARG 307 Cb 0.21 -0.42 0.21 0.00 -0.57 0.00 0.00 34.95 34.38 2vak s ARG 307 CO 0.43 -0.52 0.74 -1.14 -1.08 0.00 0.00 175.30 173.73 2vak s GLN 308 N -3.66 3.37 0.94 3.89 2.00 -0.31 -4.22 119.66 121.67 2vak s GLN 308 Ca 0.26 -2.76 -0.12 0.00 -2.00 0.00 0.00 55.36 50.75 2vak s GLN 308 Cb 0.02 -4.18 0.15 0.00 0.80 0.00 0.00 33.01 29.80 2vak s GLN 308 CO 0.17 -1.25 1.09 -1.25 -0.50 0.00 0.00 175.29 173.56 2vak s PRO 309 N -0.41 0.94 0.34 1.67 0.04 -1.26 -4.91 135.00 131.40 2vak s PRO 309 Ca 0.21 0.67 -0.27 0.00 0.04 0.00 0.00 61.00 61.65 2vak s PRO 309 Cb -0.12 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.51 2vak s PRO 309 CO -0.08 -2.42 1.12 -2.30 0.04 0.00 0.00 177.00 173.36 2vak n PRO 310 N -3.99 1.65 -2.31 0.56 -0.02 -1.26 -4.90 135.00 124.74 2vak n PRO 310 Ca 0.06 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 2vak n PRO 310 Cb 0.56 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 2vak n PRO 310 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vak s VAL 311 N -1.12 3.36 0.70 -1.45 1.01 -1.26 -4.94 120.40 116.70 2vak s VAL 311 Ca 0.58 1.17 -0.16 0.00 0.00 0.00 0.00 61.98 63.58 2vak s VAL 311 Cb -0.62 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2vak s VAL 311 CO 0.60 0.20 1.22 -0.36 0.00 0.00 0.00 175.10 176.76 2vak s PHE 312 N -0.22 2.11 0.37 5.22 0.08 0.20 -1.67 117.98 124.06 2vak s PHE 312 Ca 0.53 1.57 -0.25 0.00 0.12 0.00 0.00 56.93 58.90 2vak s PHE 312 Cb -0.35 -3.50 -0.09 0.00 -0.57 0.00 0.00 43.02 38.52 2vak s PHE 312 CO 0.39 -2.59 1.04 0.00 -0.10 0.00 0.00 175.22 173.97 2vak s ALA 313 N -1.86 3.15 0.20 5.36 0.00 -0.37 -2.36 121.76 125.89 2vak s ALA 313 Ca 0.76 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 2vak s ALA 313 Cb -0.30 -3.27 0.24 0.00 0.00 0.00 0.00 23.12 19.79 2vak s ALA 313 CO 0.43 -0.16 1.78 -0.91 0.00 0.00 0.00 175.76 176.89 2vak h ASN 314 N 2.77 0.38 0.12 0.00 2.35 -1.74 -0.69 115.58 118.77 2vak h ASN 314 Ca -0.48 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2vak h ASN 314 Cb 1.21 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2vak h ASN 314 CO 0.63 0.24 0.00 1.56 -1.65 0.00 0.00 177.43 178.21 2vak h GLN 315 N 0.53 0.00 -0.00 0.81 4.20 -1.94 -2.35 115.11 116.36 2vak h GLN 315 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2vak h GLN 315 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2vak h GLN 315 CO -0.23 0.00 -0.24 0.41 -0.67 0.00 0.00 178.83 178.10 2vak n GLY 316 N -0.99 -1.26 3.33 3.46 0.00 -0.27 -4.89 105.19 104.58 2vak n GLY 316 Ca -0.02 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 2vak n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vak s VAL 317 N -2.88 1.66 0.92 1.61 -7.23 -0.89 -4.65 120.40 108.95 2vak s VAL 317 Ca 0.16 -2.16 -0.10 0.00 -1.81 0.00 0.00 61.98 58.06 2vak s VAL 317 Cb 0.19 -1.99 0.14 0.00 0.56 0.00 0.00 36.38 35.27 2vak s VAL 317 CO 0.59 -0.60 1.09 2.30 -0.31 0.00 0.00 175.10 178.18 2vak n ILE 318 N -0.30 0.01 -0.16 -0.62 -5.35 0.29 -4.81 119.36 108.42 2vak n ILE 318 Ca -0.09 -0.02 -0.02 0.00 -0.27 0.00 0.00 62.75 62.36 2vak n ILE 318 Cb 0.60 -0.97 0.06 0.00 -1.74 0.00 0.00 39.64 37.59 2vak n ILE 318 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2vak h ASN 319 N -1.88 -0.19 0.93 7.28 2.35 -1.91 -1.17 115.58 121.00 2vak h ASN 319 Ca -0.43 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2vak h ASN 319 Cb 1.27 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.84 2vak h ASN 319 CO 0.40 -0.06 0.00 0.00 -1.65 0.00 0.00 177.43 176.12 2vak n GLN 320 N -5.22 0.21 0.00 0.81 0.00 -1.26 -1.94 117.38 109.98 2vak n GLN 320 Ca 0.06 0.36 0.14 0.00 0.00 0.00 0.00 57.00 57.55 2vak n GLN 320 Cb 0.27 -1.85 0.52 0.00 0.00 0.00 0.00 30.24 29.19 2vak n GLN 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2vak n ALA 321 N -1.77 2.72 -1.79 2.61 0.00 -0.46 -4.92 120.51 116.91 2vak n ALA 321 Ca 0.03 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 2vak n ALA 321 Cb 0.28 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.59 2vak n ALA 321 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2vak s GLN 322 N -2.16 2.83 -1.61 0.00 -0.21 -0.82 -4.33 119.66 113.36 2vak s GLN 322 Ca 0.35 0.58 -0.11 0.00 0.02 0.00 0.00 55.36 56.20 2vak s GLN 322 Cb 0.21 -2.01 0.10 0.00 1.00 0.00 0.00 33.01 32.30 2vak s GLN 322 CO 0.39 -1.08 0.52 0.09 -2.12 0.00 0.00 175.29 173.09 2vak n ASN 323 N -3.06 -1.52 -4.36 5.90 3.02 -1.25 -4.96 115.26 109.02 2vak n ASN 323 Ca 0.07 -1.08 -0.41 0.00 -0.03 0.00 0.00 54.58 53.13 2vak n ASN 323 Cb 0.56 -2.51 -0.11 0.00 -0.61 0.00 0.00 39.78 37.12 2vak n ASN 323 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2vak s ARG 324 N -6.94 2.80 0.31 3.52 6.06 -0.97 -4.96 118.95 118.77 2vak s ARG 324 Ca 0.41 -1.15 -0.30 0.00 -2.50 0.00 0.00 55.73 52.20 2vak s ARG 324 Cb -0.23 -3.77 -0.11 0.00 0.06 0.00 0.00 34.95 30.90 2vak s ARG 324 CO 0.94 -0.76 1.59 -1.25 -2.50 0.00 0.00 175.30 173.32 2vak s PRO 325 N 1.55 4.11 0.00 5.12 0.04 -1.26 -0.08 135.00 144.48 2vak s PRO 325 Ca 0.02 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2vak s PRO 325 Cb -0.20 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2vak s PRO 325 CO 0.06 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2vak n GLY 326 N 1.91 0.99 1.84 0.56 0.00 -1.26 -4.80 105.19 104.44 2vak n GLY 326 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2vak n GLY 326 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2vak n PHE 327 N -2.00 -2.15 -4.11 1.61 7.35 -0.24 -4.77 117.46 113.16 2vak n PHE 327 Ca 0.00 0.38 -0.15 0.00 -0.76 0.00 0.00 57.45 56.92 2vak n PHE 327 Cb 0.00 0.50 -0.12 0.00 0.35 0.00 0.00 39.48 40.21 2vak n PHE 327 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2vak s SER 328 N -5.14 1.04 0.09 -2.13 1.04 0.89 0.59 113.70 110.08 2vak s SER 328 Ca 0.00 -0.51 -0.27 0.00 0.48 0.00 0.00 55.95 55.65 2vak s SER 328 Cb 0.00 0.00 0.09 0.00 0.10 0.00 0.00 66.02 66.21 2vak s SER 328 CO 0.00 -0.14 1.11 0.00 0.98 0.00 0.00 173.24 175.19 2vak s MET 329 N -1.45 0.89 0.02 4.02 0.23 -0.99 -2.30 119.30 119.71 2vak s MET 329 Ca -0.07 -0.52 -0.30 0.00 -1.03 0.00 0.00 55.69 53.77 2vak s MET 329 Cb -0.09 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.45 2vak s MET 329 CO 0.01 -0.41 1.11 -0.80 -2.03 0.00 0.00 175.02 172.90 2vak s ASN 330 N -3.11 7.18 -0.39 -1.18 -0.87 -1.26 -1.95 114.94 113.36 2vak s ASN 330 Ca 0.16 1.84 0.00 0.00 -1.57 0.00 0.00 52.86 53.29 2vak s ASN 330 Cb 0.01 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 2vak s ASN 330 CO 0.01 -0.41 0.00 0.61 -2.57 0.00 0.00 177.10 174.73 2vak n GLY 331 N 3.12 0.34 3.60 0.66 0.00 -1.26 -5.00 105.19 106.65 2vak n GLY 331 Ca 0.08 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2vak n GLY 331 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vak s GLY 332 N -2.85 1.57 -0.04 -0.02 0.00 -1.12 -4.95 107.32 99.90 2vak s GLY 332 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 2vak s GLY 332 CO 0.00 0.07 1.61 -1.59 0.00 0.00 0.00 173.10 173.19 2vak s THR 333 N -2.94 3.57 0.80 0.90 2.01 -0.67 -4.20 115.64 115.11 2vak s THR 333 Ca 0.69 0.76 -0.15 0.00 0.31 0.00 0.00 61.69 63.30 2vak s THR 333 Cb -0.13 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.90 2vak s THR 333 CO 0.57 -0.06 0.62 -0.81 -0.69 0.00 0.00 174.62 174.26 2vak n PRO 334 N 6.80 0.12 -3.71 4.92 -0.04 -1.26 -1.23 135.00 140.61 2vak n PRO 334 Ca 0.17 0.09 -0.38 0.00 -0.04 0.00 0.00 63.50 63.34 2vak n PRO 334 Cb 0.43 -1.96 -0.12 0.00 -0.04 0.00 0.00 33.50 31.81 2vak n PRO 334 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2vak s VAL 335 N -2.08 4.37 0.39 0.52 1.01 -1.26 -4.17 120.40 119.17 2vak s VAL 335 Ca 0.65 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 2vak s VAL 335 Cb -0.30 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 2vak s VAL 335 CO 0.59 0.13 0.74 -1.00 0.00 0.00 0.00 175.10 175.56 2vak s HIS 336 N 1.58 3.47 0.01 5.22 3.76 0.68 -4.92 115.29 125.10 2vak s HIS 336 Ca 0.04 0.98 0.06 0.00 -0.15 0.00 0.00 55.06 56.00 2vak s HIS 336 Cb -0.17 -2.39 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 2vak s HIS 336 CO 0.05 -0.06 -0.18 -1.83 -0.85 0.00 0.00 174.74 171.86 2vak s GLU 337 N -3.80 1.37 -0.17 1.40 -1.05 -1.26 0.35 118.70 115.55 2vak s GLU 337 Ca 0.50 -0.73 0.01 0.00 -0.15 0.00 0.00 54.97 54.60 2vak s GLU 337 Cb -0.10 -1.37 0.03 0.00 -0.44 0.00 0.00 34.13 32.24 2vak s GLU 337 CO 0.31 0.37 -0.15 -0.51 0.95 0.00 0.00 175.26 176.23 2vak s LEU 338 N -0.70 1.91 0.06 1.83 1.43 0.13 -3.70 118.68 119.64 2vak s LEU 338 Ca 0.06 -0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 52.25 2vak s LEU 338 Cb -0.07 -1.26 -0.06 0.00 0.03 0.00 0.00 46.19 44.82 2vak s LEU 338 CO 0.00 -0.06 1.31 0.21 0.23 0.00 0.00 176.35 178.05 2vak s ASN 339 N 1.42 6.93 0.32 2.29 3.84 -1.26 -0.39 114.94 128.10 2vak s ASN 339 Ca 0.04 2.14 0.16 0.00 0.21 0.00 0.00 52.86 55.41 2vak s ASN 339 Cb -0.14 -2.58 0.43 0.00 -0.55 0.00 0.00 41.25 38.42 2vak s ASN 339 CO -0.11 -0.60 1.62 -0.07 -2.79 0.00 0.00 177.10 175.15 2vak h LEU 340 N 7.23 0.00 0.10 3.21 3.38 -1.94 -1.54 115.31 125.74 2vak h LEU 340 Ca -0.41 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 2vak h LEU 340 Cb 1.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2vak h LEU 340 CO 0.86 0.47 -0.61 0.25 0.09 0.00 0.00 178.44 179.49 2vak h LEU 341 N 0.00 0.33 -1.35 1.67 5.85 -1.96 -1.79 115.31 118.06 2vak h LEU 341 Ca -0.00 -0.96 0.20 0.00 0.84 0.00 0.00 57.88 57.95 2vak h LEU 341 Cb 1.10 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 2vak h LEU 341 CO 0.06 1.29 0.61 0.74 -0.34 0.00 0.00 178.44 180.80 2vak h THR 342 N -0.55 0.70 0.02 1.05 2.02 -1.95 -1.07 112.91 113.12 2vak h THR 342 Ca -0.11 -0.18 -0.25 0.00 0.77 0.00 0.00 66.41 66.64 2vak h THR 342 Cb 1.47 0.12 0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2vak h THR 342 CO 0.10 0.10 -0.97 0.74 0.37 0.00 0.00 175.52 175.86 2vak h THR 343 N 0.53 1.31 -0.31 3.16 2.02 -1.26 -2.25 112.91 116.11 2vak h THR 343 Ca 0.50 -2.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.44 2vak h THR 343 Cb 1.07 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.94 2vak h THR 343 CO -0.24 0.68 0.15 0.00 0.37 0.00 0.00 175.52 176.49 2vak h ALA 344 N 0.36 0.40 -0.88 6.16 0.00 -0.80 -0.24 119.26 124.27 2vak h ALA 344 Ca -0.13 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.81 2vak h ALA 344 Cb 1.64 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 2vak h ALA 344 CO 0.19 -0.04 0.57 1.96 0.00 0.00 0.00 179.25 181.93 2vak h GLN 345 N 0.37 0.74 0.00 0.00 4.20 -1.21 -1.34 115.11 117.87 2vak h GLN 345 Ca 0.11 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 2vak h GLN 345 Cb 0.12 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2vak h GLN 345 CO -0.01 0.49 -0.79 0.93 -0.67 0.00 0.00 178.83 178.78 2vak h GLU 346 N 0.77 0.00 -0.24 1.46 4.39 -1.11 -2.49 114.58 117.35 2vak h GLU 346 Ca 0.43 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.06 2vak h GLU 346 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2vak h GLU 346 CO -0.19 0.65 -0.09 0.00 -1.16 0.00 0.00 179.01 178.22 2vak h ILE 348 N 0.21 0.92 -0.95 0.00 2.04 -1.25 -1.24 117.51 117.24 2vak h ILE 348 Ca 0.06 -0.07 0.17 0.00 1.00 0.00 0.00 64.86 66.02 2vak h ILE 348 Cb 0.58 0.97 -0.17 0.00 -0.74 0.00 0.00 36.82 37.46 2vak h ILE 348 CO 0.03 0.02 -0.30 0.54 0.00 0.00 0.00 178.15 178.44 2vak n ARG 349 N -5.13 -0.14 -0.36 2.37 5.12 -0.94 -0.65 116.66 116.92 2vak n ARG 349 Ca -0.08 1.48 -0.00 0.00 -1.93 0.00 0.00 57.85 57.31 2vak n ARG 349 Cb 0.09 -2.20 0.14 0.00 -1.16 0.00 0.00 32.46 29.33 2vak n ARG 349 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2vak h GLN 350 N 0.00 1.25 -0.11 5.56 1.08 -0.28 -0.21 115.11 122.41 2vak h GLN 350 Ca 0.40 -0.07 -0.19 0.00 -1.45 0.00 0.00 58.65 57.34 2vak h GLN 350 Cb 0.64 -0.28 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2vak h GLN 350 CO -0.97 0.82 -0.70 -1.49 -0.95 0.00 0.00 178.83 175.54 2vak h TRP 351 N 1.28 0.65 0.47 2.96 6.55 -0.20 -2.67 115.95 125.00 2vak h TRP 351 Ca 0.38 -0.28 -0.02 0.00 0.95 0.00 0.00 58.89 59.92 2vak h TRP 351 Cb -0.06 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.14 2vak h TRP 351 CO -0.00 1.04 -0.23 0.28 -1.05 0.00 0.00 178.44 178.48 2vak h VAL 352 N 0.34 0.53 -0.70 1.49 2.07 -0.53 -0.83 116.25 118.61 2vak h VAL 352 Ca -0.03 -0.17 0.20 0.00 0.82 0.00 0.00 66.70 67.52 2vak h VAL 352 Cb 1.28 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2vak h VAL 352 CO 0.13 0.03 0.67 0.24 0.02 0.00 0.00 177.57 178.65 2vak h MET 353 N -0.74 0.00 -0.05 1.57 2.86 -1.02 -2.10 114.93 115.44 2vak h MET 353 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2vak h MET 353 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2vak h MET 353 CO 0.11 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.08 2vak n ALA 354 N -2.44 2.46 -0.81 6.32 0.00 -1.01 -4.97 120.51 120.06 2vak n ALA 354 Ca 0.14 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2vak n ALA 354 Cb 0.92 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2vak n ALA 354 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vak n GLY 355 N 1.15 0.74 0.15 0.00 0.00 -0.79 -4.93 105.19 101.51 2vak n GLY 355 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2vak n GLY 355 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2vak h LEU 356 N 0.00 0.00 -8.34 0.99 3.38 -1.38 -3.45 115.31 106.51 2vak h LEU 356 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2vak h LEU 356 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 2vak h LEU 356 CO 0.00 0.57 -0.69 0.68 0.09 0.00 0.00 178.44 179.09 2vak s VAL 357 N -3.54 0.44 0.86 1.22 -7.23 -1.17 -5.01 120.40 105.97 2vak s VAL 357 Ca -0.01 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 2vak s VAL 357 Cb 0.12 -1.60 0.11 0.00 0.56 0.00 0.00 36.38 35.57 2vak s VAL 357 CO 0.74 -0.94 1.18 -0.44 -0.31 0.00 0.00 175.10 175.34 2vak s SER 358 N -2.98 3.25 0.45 4.85 0.01 -1.26 -4.54 113.70 113.48 2vak s SER 358 Ca 0.09 2.31 0.13 0.00 1.31 0.00 0.00 55.95 59.79 2vak s SER 358 Cb 0.07 -2.58 1.02 0.00 0.21 0.00 0.00 66.02 64.74 2vak s SER 358 CO -0.08 -2.89 2.04 0.00 0.41 0.00 0.00 173.24 172.72 2vak h ALA 359 N -1.34 1.76 0.13 1.44 0.00 -1.98 -0.63 119.26 118.64 2vak h ALA 359 Ca -0.45 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.09 2vak h ALA 359 Cb 1.29 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2vak h ALA 359 CO 0.44 0.19 -1.25 0.00 0.00 0.00 0.00 179.25 178.62 2vak h ALA 360 N 1.83 0.08 0.00 0.00 0.00 -1.99 -2.69 119.26 116.49 2vak h ALA 360 Ca 0.03 -0.88 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 2vak h ALA 360 Cb 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2vak h ALA 360 CO 0.01 0.95 -0.48 -0.22 0.00 0.00 0.00 179.25 179.50 2vak h LYS 361 N 0.09 0.00 -0.47 0.00 1.63 -1.89 -1.77 116.57 114.16 2vak h LYS 361 Ca -0.14 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 2vak h LYS 361 Cb 1.97 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.59 2vak h LYS 361 CO 0.21 0.48 0.05 0.78 -3.45 0.00 0.00 179.45 177.51 2vak h GLY 362 N 1.64 0.86 1.71 5.01 0.00 -1.13 -0.58 103.07 110.58 2vak h GLY 362 Ca -0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 2vak h GLY 362 CO 0.06 0.55 -0.41 1.46 0.00 0.00 0.00 176.54 178.21 2vak h GLN 363 N 0.66 0.32 -0.59 4.80 4.20 -1.39 0.83 115.11 123.94 2vak h GLN 363 Ca 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2vak h GLN 363 Cb 0.44 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2vak h GLN 363 CO 0.02 0.68 0.31 0.00 -0.67 0.00 0.00 178.83 179.16 2vak h ALA 364 N 1.31 0.75 -0.17 3.87 0.00 -1.25 -2.08 119.26 121.69 2vak h ALA 364 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2vak h ALA 364 Cb 0.84 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2vak h ALA 364 CO 0.07 0.29 -0.12 -0.07 0.00 0.00 0.00 179.25 179.42 2vak h LEU 365 N 0.80 0.40 -2.27 0.00 3.38 -0.83 -2.44 115.31 114.35 2vak h LEU 365 Ca 0.21 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2vak h LEU 365 Cb 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2vak h LEU 365 CO -0.03 0.76 0.02 0.74 0.09 0.00 0.00 178.44 180.02 2vak h THR 366 N 0.05 0.71 0.19 0.22 2.02 -0.86 -1.86 112.91 113.38 2vak h THR 366 Ca 0.03 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.90 2vak h THR 366 Cb 0.62 0.98 0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2vak h THR 366 CO 0.03 0.00 -1.36 1.56 0.37 0.00 0.00 175.52 176.12 2vak h GLN 367 N 0.00 0.56 -0.71 6.66 1.08 -1.22 -2.57 115.11 118.91 2vak h GLN 367 Ca 0.01 -0.85 -0.05 0.00 -1.45 0.00 0.00 58.65 56.31 2vak h GLN 367 Cb 0.06 0.30 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2vak h GLN 367 CO -0.00 1.40 0.24 0.93 -0.95 0.00 0.00 178.83 180.45 2vak h GLU 368 N 0.20 1.08 -0.14 1.46 5.08 -1.09 0.51 114.58 121.68 2vak h GLU 368 Ca -0.22 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2vak h GLU 368 Cb 2.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 2vak h GLU 368 CO 0.26 0.90 0.05 0.00 -1.00 0.00 0.00 179.01 179.22 2vak h ALA 369 N 1.22 0.18 -0.77 3.43 0.00 -1.42 -0.74 119.26 121.16 2vak h ALA 369 Ca 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2vak h ALA 369 Cb 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2vak h ALA 369 CO -0.01 -0.22 0.41 -0.91 0.00 0.00 0.00 179.25 178.52 2vak h ASN 370 N 0.06 0.98 -0.51 0.00 4.21 -1.25 -1.16 115.58 117.90 2vak h ASN 370 Ca 0.05 -0.11 -0.12 0.00 1.21 0.00 0.00 56.30 57.33 2vak h ASN 370 Cb 0.19 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 2vak h ASN 370 CO -0.00 0.81 -0.12 0.44 -1.29 0.00 0.00 177.43 177.26 2vak h ASP 371 N 1.08 1.01 -0.68 5.81 3.32 -0.78 -2.55 116.42 123.62 2vak h ASP 371 Ca 0.27 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2vak h ASP 371 Cb 0.06 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2vak h ASP 371 CO -0.04 1.13 0.18 0.15 -1.72 0.00 0.00 179.24 178.94 2vak h PHE 372 N 0.89 1.13 -0.34 4.55 3.57 -0.94 -2.99 116.94 122.81 2vak h PHE 372 Ca 0.14 -0.13 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 2vak h PHE 372 Cb 0.69 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 2vak h PHE 372 CO 0.05 0.92 -0.45 1.03 -2.23 0.00 0.00 178.31 177.62 2vak h SER 373 N 1.02 0.98 -0.51 0.41 0.87 -1.14 -1.13 113.55 114.05 2vak h SER 373 Ca 0.22 -0.50 0.02 0.00 -1.23 0.00 0.00 61.79 60.29 2vak h SER 373 Cb 0.35 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2vak h SER 373 CO -0.00 1.28 0.34 0.78 -0.53 0.00 0.00 176.83 178.70 2vak h ASN 374 N 0.70 0.55 0.04 6.23 2.35 -1.49 0.24 115.58 124.20 2vak h ASN 374 Ca 0.04 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2vak h ASN 374 Cb 1.05 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2vak h ASN 374 CO 0.11 0.39 -0.02 0.25 -1.65 0.00 0.00 177.43 176.51 2vak h LEU 375 N 0.64 -0.04 -0.67 1.61 6.46 -1.33 -2.20 115.31 119.78 2vak h LEU 375 Ca 0.19 -0.44 -0.12 0.00 -0.12 0.00 0.00 57.88 57.39 2vak h LEU 375 Cb -0.01 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2vak h LEU 375 CO -0.05 0.42 -0.29 0.40 -0.62 0.00 0.00 178.44 178.31 2vak h ILE 376 N -0.52 1.28 -0.47 4.05 5.03 -1.15 -0.31 117.51 125.42 2vak h ILE 376 Ca -0.01 -1.42 0.03 0.00 -0.12 0.00 0.00 64.86 63.35 2vak h ILE 376 Cb 0.48 1.33 -0.04 0.00 -3.03 0.00 0.00 36.82 35.56 2vak h ILE 376 CO 0.01 0.46 0.26 -0.61 -0.68 0.00 0.00 178.15 177.59 2vak h GLN 377 N 0.61 0.50 -0.18 2.37 4.15 -1.03 0.12 115.11 121.66 2vak h GLN 377 Ca 0.07 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2vak h GLN 377 Cb 0.80 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2vak h GLN 377 CO 0.07 0.33 0.09 0.00 -1.93 0.00 0.00 178.83 177.39 2vak h ALA 378 N 1.23 0.24 0.12 3.38 0.00 -1.16 -0.46 119.26 122.60 2vak h ALA 378 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2vak h ALA 378 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2vak h ALA 378 CO -0.11 -0.22 -0.06 0.22 0.00 0.00 0.00 179.25 179.08 2vak h ASP 379 N 0.18 -0.14 0.21 0.00 1.82 -0.81 -2.00 116.42 115.68 2vak h ASP 379 Ca 0.06 -0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 56.50 2vak h ASP 379 Cb 0.10 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 2vak h ASP 379 CO -0.01 0.09 -0.16 -0.07 -1.61 0.00 0.00 179.24 177.49 2vak h LEU 380 N -0.38 0.00 -0.93 2.28 3.38 -0.83 -2.47 115.31 116.36 2vak h LEU 380 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2vak h LEU 380 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2vak h LEU 380 CO 0.03 0.16 -0.03 1.23 0.09 0.00 0.00 178.44 179.91 2vak h GLY 381 N 0.58 0.80 0.97 0.83 0.00 -0.89 -1.38 103.07 103.97 2vak h GLY 381 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2vak h GLY 381 CO 0.02 0.51 0.18 1.46 0.00 0.00 0.00 176.54 178.71 2vak h GLN 382 N 0.69 0.44 -0.38 4.80 1.08 -0.93 -0.72 115.11 120.10 2vak h GLN 382 Ca 0.13 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2vak h GLN 382 Cb 0.47 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2vak h GLN 382 CO 0.02 0.36 0.02 0.82 -0.95 0.00 0.00 178.83 179.11 2vak h ILE 383 N 0.41 1.25 -0.20 2.54 2.04 -1.27 0.13 117.51 122.40 2vak h ILE 383 Ca 0.11 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 2vak h ILE 383 Cb 0.04 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2vak h ILE 383 CO -0.02 0.32 0.11 0.50 0.00 0.00 0.00 178.15 179.06 2vak h LYS 384 N 0.48 0.29 -0.69 2.37 3.64 -1.26 0.41 116.57 121.80 2vak h LYS 384 Ca 0.11 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2vak h LYS 384 Cb 0.43 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2vak h LYS 384 CO 0.01 0.27 0.24 0.00 -2.27 0.00 0.00 179.45 177.71 2vak h ALA 385 N 1.00 0.90 0.09 5.00 0.00 -0.99 0.06 119.26 125.32 2vak h ALA 385 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2vak h ALA 385 Cb 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2vak h ALA 385 CO -0.01 0.55 -0.04 1.96 0.00 0.00 0.00 179.25 181.71 2vak h GLN 386 N 1.00 -0.12 -0.68 0.00 4.20 -0.88 -2.84 115.11 115.79 2vak h GLN 386 Ca 0.23 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 2vak h GLN 386 Cb 0.26 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2vak h GLN 386 CO -0.01 0.29 0.32 -0.44 -0.67 0.00 0.00 178.83 178.31 2vak h ASP 387 N -0.56 0.88 -0.33 1.46 5.19 -0.15 -0.64 116.42 122.27 2vak h ASP 387 Ca -0.01 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2vak h ASP 387 Cb 0.46 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2vak h ASP 387 CO 0.02 0.75 0.14 0.44 -3.12 0.00 0.00 179.24 177.47 2vak h ASP 388 N 0.96 0.46 -0.07 6.45 3.45 -1.05 -0.25 116.42 126.36 2vak h ASP 388 Ca 0.24 -0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 2vak h ASP 388 Cb 0.11 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 2vak h ASP 388 CO -0.03 0.49 0.00 0.00 -1.57 0.00 0.00 179.24 178.13 2vak h ALA 389 N 0.98 0.10 -0.10 3.45 0.00 -1.25 -1.81 119.26 120.63 2vak h ALA 389 Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2vak h ALA 389 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2vak h ALA 389 CO -0.01 -0.23 -0.47 -0.07 0.00 0.00 0.00 179.25 178.47 2vak h LEU 390 N -0.15 0.27 -0.45 0.00 3.38 -1.18 -1.90 115.31 115.28 2vak h LEU 390 Ca 0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2vak h LEU 390 Cb 0.33 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2vak h LEU 390 CO 0.00 0.70 0.05 0.22 0.09 0.00 0.00 178.44 179.51 2vak h TYR 391 N 0.20 0.82 -0.06 1.13 5.03 -1.01 0.10 116.97 123.18 2vak h TYR 391 Ca 0.01 -0.12 -0.00 0.00 2.58 0.00 0.00 58.73 61.20 2vak h TYR 391 Cb 0.91 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.97 2vak h TYR 391 CO 0.02 0.78 0.04 -0.97 -1.32 0.00 0.00 178.16 176.70 2vak h ASN 392 N 0.62 0.07 0.00 -2.11 -1.24 -1.10 -3.41 115.58 108.41 2vak h ASN 392 Ca 0.13 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 2vak h ASN 392 Cb 0.42 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.45 2vak h ASN 392 CO 0.01 0.06 -0.94 0.00 -1.29 0.00 0.00 177.43 175.27 2vak n GLN 393 N -4.52 0.00 -2.79 6.67 6.02 -0.73 -4.97 117.38 117.05 2vak n GLN 393 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2vak n GLN 393 Cb 0.09 -0.81 -0.03 0.00 1.02 0.00 0.00 30.24 30.50 2vak n GLN 393 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2vak s GLN 394 N -1.96 4.07 0.29 -1.09 0.74 0.34 -5.04 119.66 117.00 2vak s GLN 394 Ca 0.00 0.91 -0.29 0.00 0.05 0.00 0.00 55.36 56.03 2vak s GLN 394 Cb 0.00 -3.71 -0.10 0.00 1.10 0.00 0.00 33.01 30.31 2vak s GLN 394 CO 0.00 -0.73 1.10 -2.14 -0.55 0.00 0.00 175.29 172.97 2vak s PRO 395 N 3.23 4.61 0.00 1.67 0.02 -1.26 -2.98 135.00 140.28 2vak s PRO 395 Ca 0.39 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.21 2vak s PRO 395 Cb -0.14 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.23 2vak s PRO 395 CO 0.12 0.19 0.00 0.41 -0.33 0.00 0.00 177.00 177.39 2vak n GLY 396 N 1.14 0.75 3.72 0.52 0.00 -1.26 -5.04 105.19 105.03 2vak n GLY 396 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2vak n GLY 396 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vak s TYR 397 N -2.72 3.30 -0.52 1.61 5.04 -1.16 -4.52 117.35 118.37 2vak s TYR 397 Ca 0.00 1.14 -0.19 0.00 -2.44 0.00 0.00 57.07 55.59 2vak s TYR 397 Cb 0.00 -3.59 0.07 0.00 0.35 0.00 0.00 41.96 38.79 2vak s TYR 397 CO 0.00 -1.93 0.61 0.00 -1.34 0.00 0.00 175.55 172.89 2vak s ALA 398 N 0.66 3.42 0.43 3.97 0.00 -1.26 -3.67 121.76 125.32 2vak s ALA 398 Ca 0.60 -1.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.40 2vak s ALA 398 Cb -0.35 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.31 2vak s ALA 398 CO 0.33 -2.06 0.97 0.54 0.00 0.00 0.00 175.76 175.54 2vak n ARG 399 N 6.07 1.25 -0.01 0.00 1.74 -0.69 -4.95 116.66 120.07 2vak n ARG 399 Ca -0.08 0.45 0.08 0.00 -0.77 0.00 0.00 57.85 57.53 2vak n ARG 399 Cb 0.44 -2.00 -0.15 0.00 -1.02 0.00 0.00 32.46 29.74 2vak n ARG 399 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2vak n ARG 400 N 0.12 0.66 -3.77 5.56 1.74 -1.26 -4.94 116.66 114.76 2vak n ARG 400 Ca 0.10 -0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 2vak n ARG 400 Cb 0.40 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 2vak n ARG 400 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2vak s ILE 401 N -3.33 0.09 0.33 0.55 -4.36 -1.26 -4.44 121.20 108.78 2vak s ILE 401 Ca -0.07 -0.93 -0.29 0.00 -0.26 0.00 0.00 60.65 59.10 2vak s ILE 401 Cb 0.12 -1.35 -0.12 0.00 1.25 0.00 0.00 42.46 42.37 2vak s ILE 401 CO 0.88 -0.43 1.49 1.17 0.24 0.00 0.00 174.94 178.29 2vak n LYS 402 N -0.17 2.53 -1.65 0.37 4.81 -1.26 -4.93 118.16 117.86 2vak n LYS 402 Ca -0.14 0.89 -0.42 0.00 -0.87 0.00 0.00 58.31 57.77 2vak n LYS 402 Cb 0.63 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.07 2vak n LYS 402 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2vak n PRO 403 N 1.26 1.66 -4.22 1.64 -0.02 -1.26 -5.02 135.00 129.03 2vak n PRO 403 Ca 0.06 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 62.00 2vak n PRO 403 Cb 0.37 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 2vak n PRO 403 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2vak s PHE 404 N -1.18 1.18 0.16 6.00 -0.71 -1.26 -4.98 117.98 117.19 2vak s PHE 404 Ca 0.60 -1.20 0.07 0.00 -1.04 0.00 0.00 56.93 55.37 2vak s PHE 404 Cb -0.57 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 40.54 2vak s PHE 404 CO 0.59 -0.42 -0.03 0.14 -1.34 0.00 0.00 175.22 174.15 2vak s VAL 405 N -3.90 3.57 0.25 -2.49 -7.23 -1.26 -5.06 120.40 104.28 2vak s VAL 405 Ca 0.31 -1.43 0.26 0.00 -1.81 0.00 0.00 61.98 59.30 2vak s VAL 405 Cb 0.07 -2.77 0.26 0.00 0.56 0.00 0.00 36.38 34.50 2vak s VAL 405 CO 0.07 -0.07 1.93 0.78 -0.31 0.00 0.00 175.10 177.50 2vak h ASN 406 N 2.91 0.00 0.08 4.85 2.35 -2.03 -2.22 115.58 121.52 2vak h ASN 406 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2vak h ASN 406 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2vak h ASN 406 CO 0.56 0.19 0.00 0.61 -1.65 0.00 0.00 177.43 177.14 2vak n GLY 407 N -0.18 -0.89 0.24 2.83 0.00 -1.26 -2.38 105.19 103.55 2vak n GLY 407 Ca -0.01 0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.35 2vak n GLY 407 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vak h ASP 408 N 0.00 0.00 0.64 1.61 3.32 -1.70 -2.65 116.42 117.64 2vak h ASP 408 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vak h ASP 408 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2vak h ASP 408 CO 0.00 0.00 -0.10 0.79 -1.72 0.00 0.00 179.24 178.21 2vak n TRP 409 N -2.79 0.00 -2.23 4.55 7.02 -1.00 -3.70 117.44 119.29 2vak n TRP 409 Ca 0.00 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.19 2vak n TRP 409 Cb 0.21 -0.32 0.02 0.00 -2.42 0.00 0.00 31.31 28.80 2vak n TRP 409 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2vak s THR 410 N -2.74 4.32 0.45 -0.99 -4.23 -1.00 -4.97 115.64 106.48 2vak s THR 410 Ca 0.22 0.40 0.12 0.00 -1.18 0.00 0.00 61.69 61.24 2vak s THR 410 Cb 0.19 -3.71 0.23 0.00 1.34 0.00 0.00 72.50 70.56 2vak s THR 410 CO 0.52 -0.81 2.05 -0.65 -0.54 0.00 0.00 174.62 175.18 2vak h PRO 411 N -0.17 0.18 0.00 3.99 0.11 -1.89 -3.46 132.00 130.76 2vak h PRO 411 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2vak h PRO 411 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2vak h PRO 411 CO 0.62 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 179.02 2vak n GLY 412 N -1.27 3.28 2.03 -0.55 0.00 -1.26 -2.64 105.19 104.77 2vak n GLY 412 Ca -0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 2vak n GLY 412 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vak n MET 413 N 14.00 2.05 -0.12 1.61 2.81 -1.26 -4.64 117.12 131.57 2vak n MET 413 Ca 0.00 -2.50 -0.05 0.00 -1.81 0.00 0.00 57.70 53.33 2vak n MET 413 Cb 0.00 -1.98 0.03 0.00 -0.71 0.00 0.00 33.22 30.56 2vak n MET 413 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2vak h THR 414 N 0.84 0.89 -0.77 2.03 2.02 -1.58 -2.80 112.91 113.53 2vak h THR 414 Ca 0.53 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.65 2vak h THR 414 Cb 2.49 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 2vak h THR 414 CO 0.94 0.06 0.47 0.00 0.37 0.00 0.00 175.52 177.35 2vak h ALA 415 N 1.25 1.05 -0.98 6.16 0.00 -1.87 0.93 119.26 125.80 2vak h ALA 415 Ca 0.19 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2vak h ALA 415 Cb 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2vak h ALA 415 CO -0.18 0.19 0.65 1.96 0.00 0.00 0.00 179.25 181.88 2vak h GLN 416 N 0.86 1.29 -0.19 0.00 7.50 -1.91 -1.07 115.11 121.58 2vak h GLN 416 Ca 0.34 -0.08 -0.15 0.00 0.50 0.00 0.00 58.65 59.26 2vak h GLN 416 Cb 0.15 -0.29 0.00 0.00 0.05 0.00 0.00 27.48 27.39 2vak h GLN 416 CO -0.17 0.85 -0.47 0.00 -1.50 0.00 0.00 178.83 177.54 2vak h ALA 417 N 1.39 0.32 -0.24 3.87 0.00 -0.95 -1.82 119.26 121.83 2vak h ALA 417 Ca 0.36 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2vak h ALA 417 Cb -0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2vak h ALA 417 CO -0.08 0.47 -0.27 -0.07 0.00 0.00 0.00 179.25 179.30 2vak h LEU 418 N 0.35 0.47 0.21 0.00 3.38 -0.85 -0.63 115.31 118.24 2vak h LEU 418 Ca -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2vak h LEU 418 Cb 1.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2vak h LEU 418 CO 0.10 0.73 -0.10 0.00 0.09 0.00 0.00 178.44 179.26 2vak h ALA 419 N 1.31 -0.29 -0.63 1.53 0.00 -1.22 -1.77 119.26 118.18 2vak h ALA 419 Ca 0.06 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2vak h ALA 419 Cb 0.69 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2vak h ALA 419 CO 0.05 -0.65 0.31 0.28 0.00 0.00 0.00 179.25 179.24 2vak h VAL 420 N -0.31 0.88 0.00 0.00 2.07 -1.24 -2.57 116.25 115.07 2vak h VAL 420 Ca -0.03 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2vak h VAL 420 Cb 0.24 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2vak h VAL 420 CO 0.05 0.10 -0.21 -0.07 0.02 0.00 0.00 177.57 177.46 2vak h LEU 421 N 0.55 0.00 -1.46 2.57 3.38 -1.10 -2.61 115.31 116.64 2vak h LEU 421 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2vak h LEU 421 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2vak h LEU 421 CO -0.24 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.50 2vak h ALA 422 N 1.79 1.00 0.00 1.53 0.00 -0.89 -2.09 119.26 120.60 2vak h ALA 422 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vak h ALA 422 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2vak h ALA 422 CO 0.03 0.00 -0.72 0.25 0.00 0.00 0.00 179.25 178.80 2vak n THR 423 N -2.55 0.08 0.81 0.00 -2.24 -0.98 -4.25 114.28 105.14 2vak n THR 423 Ca -0.00 -0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.77 2vak n THR 423 Cb 0.16 0.31 0.42 0.00 -2.10 0.00 0.00 70.33 69.12 2vak n THR 423 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2vak n PHE 424 N -1.68 0.00 0.56 4.78 3.01 -0.79 -1.47 117.46 121.87 2vak n PHE 424 Ca 0.04 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.56 2vak n PHE 424 Cb 0.37 -0.21 -0.00 0.00 -0.01 0.00 0.00 39.48 39.63 2vak n PHE 424 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2vak n THR 425 N -1.21 0.00 1.53 4.37 5.66 -1.26 -4.83 114.28 118.54 2vak n THR 425 Ca 0.09 -0.37 0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2vak n THR 425 Cb 0.11 1.15 0.55 0.00 -1.55 0.00 0.00 70.33 70.59 2vak n THR 425 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02