#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vak s SER 5 N 0.00 5.77 0.61 4.38 0.15 -1.26 -4.89 113.70 118.46 2vak s SER 5 Ca 0.00 1.64 0.31 0.00 0.70 0.00 0.00 55.95 58.60 2vak s SER 5 Cb 0.00 -2.52 1.72 0.00 -1.71 0.00 0.00 66.02 63.51 2vak s SER 5 CO 0.00 -1.75 2.07 -0.08 1.20 0.00 0.00 173.24 174.69 2vak h GLU 6 N 13.53 0.00 0.00 5.44 4.81 -2.05 -2.13 114.58 134.18 2vak h GLU 6 Ca -0.38 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 2vak h GLU 6 Cb 1.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2vak h GLU 6 CO 0.99 0.00 -2.01 1.19 -0.73 0.00 0.00 179.01 178.46 2vak n PHE 7 N -3.55 0.09 -2.84 0.92 3.72 -1.26 -4.87 117.46 109.66 2vak n PHE 7 Ca 0.01 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2vak n PHE 7 Cb 0.35 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 2vak n PHE 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vak n GLY 8 N 1.36 -0.59 3.19 1.37 0.00 -0.80 -4.65 105.19 105.07 2vak n GLY 8 Ca -0.10 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 2vak n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vak s SER 9 N -4.00 5.70 -0.01 1.61 0.01 -1.26 -4.89 113.70 110.85 2vak s SER 9 Ca 0.00 -2.23 0.18 0.00 1.31 0.00 0.00 55.95 55.20 2vak s SER 9 Cb 0.00 -1.99 -0.24 0.00 0.21 0.00 0.00 66.02 64.00 2vak s SER 9 CO 0.00 -0.59 0.54 0.35 0.41 0.00 0.00 173.24 173.94 2vak n THR 10 N 4.45 0.00 -2.47 1.44 -2.24 -1.26 -4.85 114.28 109.34 2vak n THR 10 Ca -0.01 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 2vak n THR 10 Cb 0.41 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 2vak n THR 10 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2vak s MET 11 N -3.01 4.38 0.70 -0.78 -1.94 -1.26 -4.75 119.30 112.64 2vak s MET 11 Ca -0.01 1.67 -0.16 0.00 -1.71 0.00 0.00 55.69 55.47 2vak s MET 11 Cb 0.12 -3.51 0.02 0.00 2.01 0.00 0.00 34.83 33.47 2vak s MET 11 CO 0.74 -0.39 1.26 0.00 -0.01 0.00 0.00 175.02 176.62 2vak s ALA 12 N 1.93 2.20 0.36 3.03 0.00 -1.26 -0.41 121.76 127.61 2vak s ALA 12 Ca 0.56 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 53.32 2vak s ALA 12 Cb -0.25 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.25 2vak s ALA 12 CO 0.23 -1.82 1.27 0.50 0.00 0.00 0.00 175.76 175.94 2vak s ARG 13 N -3.65 4.19 0.00 0.00 3.52 -0.76 -4.19 118.95 118.07 2vak s ARG 13 Ca 0.79 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 58.49 2vak s ARG 13 Cb -0.34 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2vak s ARG 13 CO 0.43 -0.28 0.00 0.00 -0.81 0.00 0.00 175.30 174.64 2vak n ALA 14 N 0.48 0.55 -3.52 6.12 0.00 -1.26 -4.97 120.51 117.91 2vak n ALA 14 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2vak n ALA 14 Cb 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.45 3.27 -0.58 0.00 1.01 -1.26 -5.04 121.20 118.15 2vak s ILE 15 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2vak s ILE 15 Cb 0.00 -2.48 0.15 0.00 0.01 0.00 0.00 42.46 40.14 2vak s ILE 15 CO 0.00 0.44 0.36 -0.31 0.00 0.00 0.00 174.94 175.42 2vak s TYR 16 N 1.40 3.31 -0.02 3.97 2.02 -1.26 -5.06 117.35 121.70 2vak s TYR 16 Ca 0.05 -3.05 -0.02 0.00 -0.37 0.00 0.00 57.07 53.68 2vak s TYR 16 Cb -0.14 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.44 2vak s TYR 16 CO -0.04 -0.75 0.11 -0.51 -1.57 0.00 0.00 175.55 172.79 2vak s ASP 17 N -0.11 5.93 -0.02 2.29 1.01 -1.26 -0.17 116.67 124.34 2vak s ASP 17 Ca 0.18 0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.75 2vak s ASP 17 Cb -0.22 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 2vak s ASP 17 CO -0.03 0.29 -0.21 0.12 0.21 0.00 0.00 175.17 175.55 2vak s PHE 18 N -1.19 1.93 -0.15 4.23 5.36 0.69 -4.84 117.98 124.00 2vak s PHE 18 Ca 0.23 -0.41 0.02 0.00 -0.96 0.00 0.00 56.93 55.80 2vak s PHE 18 Cb -0.12 -1.25 0.01 0.00 -0.34 0.00 0.00 43.02 41.32 2vak s PHE 18 CO 0.13 -0.07 -0.20 0.12 -1.46 0.00 0.00 175.22 173.74 2vak s PHE 19 N -0.40 2.62 0.57 10.12 5.36 -1.26 0.11 117.98 135.10 2vak s PHE 19 Ca 0.06 -1.40 -0.08 0.00 -0.96 0.00 0.00 56.93 54.55 2vak s PHE 19 Cb -0.09 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.76 2vak s PHE 19 CO -0.00 -0.66 0.92 -1.54 -1.46 0.00 0.00 175.22 172.48 2vak s SER 20 N 1.00 6.07 0.18 6.13 1.04 -0.58 -4.18 113.70 123.36 2vak s SER 20 Ca -0.03 1.09 -0.32 0.00 0.48 0.00 0.00 55.95 57.18 2vak s SER 20 Cb -0.15 -2.22 -0.11 0.00 0.10 0.00 0.00 66.02 63.65 2vak s SER 20 CO -0.06 -0.83 1.70 -0.89 0.98 0.00 0.00 173.24 174.15 2vak s THR 21 N -3.00 2.25 0.59 2.02 2.01 -1.26 -3.25 115.64 115.01 2vak s THR 21 Ca 0.52 0.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 2vak s THR 21 Cb -0.11 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 2vak s THR 21 CO 0.49 0.01 1.21 -2.84 -0.69 0.00 0.00 174.62 172.79 2vak s PRO 22 N 1.44 2.96 0.24 4.92 0.02 -1.26 -2.73 135.00 140.59 2vak s PRO 22 Ca 0.75 1.82 -0.13 0.00 0.02 0.00 0.00 61.00 63.46 2vak s PRO 22 Cb -0.48 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.11 2vak s PRO 22 CO 0.32 -1.21 0.49 -0.59 -0.33 0.00 0.00 177.00 175.68 2vak s PHE 23 N -1.60 0.31 0.00 6.54 -0.71 -1.26 -4.88 117.98 116.37 2vak s PHE 23 Ca 0.77 -0.67 0.00 0.00 -1.04 0.00 0.00 56.93 55.99 2vak s PHE 23 Cb -0.30 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 2vak s PHE 23 CO 0.33 -0.99 0.00 0.41 -1.34 0.00 0.00 175.22 173.63 2vak n GLY 24 N -0.38 2.23 0.38 1.99 0.00 -1.26 -4.96 105.19 103.18 2vak n GLY 24 Ca -0.02 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.31 2vak n GLY 24 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vak n ASN 25 N 0.00 1.31 -1.90 1.61 0.23 -1.26 -3.33 115.26 111.93 2vak n ASN 25 Ca 0.00 -1.21 -0.13 0.00 -0.53 0.00 0.00 54.58 52.72 2vak n ASN 25 Cb 0.00 0.08 0.23 0.00 -2.08 0.00 0.00 39.78 38.01 2vak n ASN 25 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2vak n ARG 26 N -0.21 2.74 0.00 -3.83 5.12 -1.26 -5.06 116.66 114.16 2vak n ARG 26 Ca 0.15 -3.06 0.00 0.00 -1.93 0.00 0.00 57.85 53.01 2vak n ARG 26 Cb 0.36 -2.12 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 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 -0.76 -1.48 3.73 -0.13 0.00 -1.21 -4.77 105.19 100.56 2vak n GLY 27 Ca 0.47 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 4.40 -1.16 0.99 2.96 -1.26 -4.18 118.68 120.43 2vak s LEU 28 Ca 0.00 2.43 -0.08 0.00 -0.22 0.00 0.00 54.13 56.25 2vak s LEU 28 Cb 0.00 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.99 2vak s LEU 28 CO 0.00 -0.60 3.03 0.00 -1.32 0.00 0.00 176.35 177.46 2vak n ALA 29 N 3.02 7.15 -2.60 5.97 0.00 -1.26 -4.78 120.51 128.01 2vak n ALA 29 Ca 0.08 -3.20 -0.16 0.00 0.00 0.00 0.00 53.44 50.16 2vak n ALA 29 Cb 0.42 -2.99 -0.06 0.00 0.00 0.00 0.00 19.45 16.81 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 1.22 0.00 0.31 0.00 -1.32 -1.25 -0.88 115.64 113.72 2vak s THR 30 Ca 0.67 -1.78 -0.16 0.00 -1.21 0.00 0.00 61.69 59.20 2vak s THR 30 Cb 0.22 -2.55 0.02 0.00 -1.51 0.00 0.00 72.50 68.69 2vak s THR 30 CO -0.06 0.00 0.67 0.54 -2.21 0.00 0.00 174.62 173.56 2vak s ASN 31 N -3.27 -0.03 0.24 8.08 2.20 -1.26 -4.62 114.94 116.28 2vak s ASN 31 Ca 0.35 -0.93 -0.04 0.00 -0.94 0.00 0.00 52.86 51.30 2vak s ASN 31 Cb 0.01 0.73 0.39 0.00 -2.00 0.00 0.00 41.25 40.39 2vak s ASN 31 CO 0.21 -1.41 1.80 -0.09 -2.94 0.00 0.00 177.10 174.68 2vak h ARG 32 N 2.06 0.74 0.34 3.55 2.43 -1.95 -1.61 114.38 119.94 2vak h ARG 32 Ca -0.25 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2vak h ARG 32 Cb 1.25 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2vak h ARG 32 CO 0.32 0.49 -0.22 1.15 -1.51 0.00 0.00 179.97 180.20 2vak h THR 33 N 0.76 0.54 -0.27 0.20 2.02 -1.98 0.12 112.91 114.30 2vak h THR 33 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 2vak h THR 33 Cb 0.37 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2vak h THR 33 CO -0.25 0.00 0.17 -0.61 0.37 0.00 0.00 175.52 175.20 2vak h GLN 34 N -0.54 0.34 -0.44 6.66 4.15 -1.94 -1.72 115.11 121.63 2vak h GLN 34 Ca -0.03 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.42 2vak h GLN 34 Cb 0.46 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.02 2vak h GLN 34 CO 0.03 0.23 0.17 -0.07 -1.93 0.00 0.00 178.83 177.26 2vak h LEU 35 N 0.35 0.21 -1.59 -2.39 3.38 -1.26 -2.41 115.31 111.60 2vak h LEU 35 Ca 0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2vak h LEU 35 Cb -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2vak h LEU 35 CO -0.03 0.15 0.28 0.28 0.09 0.00 0.00 178.44 179.21 2vak h SER 36 N 0.36 0.48 0.67 -0.43 0.02 -0.59 -1.77 113.55 112.30 2vak h SER 36 Ca 0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2vak h SER 36 Cb 0.17 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2vak h SER 36 CO -0.19 0.35 0.00 0.77 -1.14 0.00 0.00 176.83 176.62 2vak h SER 37 N 0.57 0.00 0.51 3.07 4.64 -0.79 -2.92 113.55 118.62 2vak h SER 37 Ca 0.15 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.18 2vak h SER 37 Cb -0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 2vak h SER 37 CO -0.03 0.00 -1.64 -0.07 -0.87 0.00 0.00 176.83 174.22 2vak h LEU 38 N 0.00 0.09 -9.77 5.97 3.38 -1.25 -3.47 115.31 110.26 2vak h LEU 38 Ca 0.00 -0.16 -0.53 0.00 0.09 0.00 0.00 57.88 57.28 2vak h LEU 38 Cb 0.34 -0.03 0.07 0.00 0.09 0.00 0.00 40.66 41.12 2vak h LEU 38 CO 0.00 1.14 0.79 -0.76 0.09 0.00 0.00 178.44 179.71 2vak s LEU 39 N -6.36 4.37 0.69 1.67 1.43 -1.11 -4.93 118.68 114.44 2vak s LEU 39 Ca -0.06 2.75 -0.15 0.00 -1.03 0.00 0.00 54.13 55.64 2vak s LEU 39 Cb 0.08 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.69 2vak s LEU 39 CO 0.82 -0.76 1.13 -0.94 0.23 0.00 0.00 176.35 176.83 2vak s SER 40 N 0.37 4.82 0.42 2.29 1.04 -1.17 -4.79 113.70 116.69 2vak s SER 40 Ca 0.60 2.07 0.28 0.00 0.48 0.00 0.00 55.95 59.38 2vak s SER 40 Cb -0.44 -2.56 1.40 0.00 0.10 0.00 0.00 66.02 64.52 2vak s SER 40 CO 0.45 -1.82 1.62 0.77 0.98 0.00 0.00 173.24 175.24 2vak h SER 41 N -0.15 0.27 1.16 7.02 4.64 -1.94 3.99 113.55 128.54 2vak h SER 41 Ca -0.47 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2vak h SER 41 Cb 1.26 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2vak h SER 41 CO 0.53 -0.21 0.00 0.28 -0.87 0.00 0.00 176.83 176.56 2vak h SER 42 N 0.09 0.00 0.00 4.97 0.02 -1.99 -3.47 113.55 113.16 2vak h SER 42 Ca 0.82 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.77 2vak h SER 42 Cb 2.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.03 2vak h SER 42 CO -0.47 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 175.81 2vak n ASN 43 N -2.51 -0.81 -4.63 3.07 4.13 1.32 -4.85 115.26 110.98 2vak n ASN 43 Ca 0.03 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.89 2vak n ASN 43 Cb 0.34 -0.13 -0.07 0.00 -1.54 0.00 0.00 39.78 38.38 2vak n ASN 43 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2vak s SER 44 N -2.17 6.51 0.23 6.41 0.15 -1.23 0.68 113.70 124.28 2vak s SER 44 Ca 0.00 0.62 0.20 0.00 0.70 0.00 0.00 55.95 57.47 2vak s SER 44 Cb 0.00 -2.31 0.93 0.00 -1.71 0.00 0.00 66.02 62.93 2vak s SER 44 CO 0.00 -0.31 1.62 -0.81 1.20 0.00 0.00 173.24 174.94 2vak n PRO 45 N 5.50 0.14 -0.05 5.44 -0.04 -1.26 -3.07 135.00 141.67 2vak n PRO 45 Ca -0.03 0.48 -0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2vak n PRO 45 Cb 0.49 -1.83 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 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 -2.11 0.13 0.00 0.54 7.02 -1.26 -4.99 117.44 116.76 2vak n TRP 46 Ca 0.01 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 2vak n TRP 46 Cb 0.15 -0.81 0.00 0.00 -2.42 0.00 0.00 31.31 28.23 2vak n TRP 46 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2vak n GLN 47 N -2.57 0.00 0.00 -0.99 6.02 -1.25 -5.10 117.38 113.49 2vak n GLN 47 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2vak n GLN 47 Cb 0.88 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 31.75 2vak n GLN 47 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2vak n ILE 61 N -0.11 0.00 -1.45 5.09 5.41 -1.26 -5.12 119.36 121.93 2vak n ILE 61 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2vak n ILE 61 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2vak n ILE 61 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2vak n VAL 62 N 0.00 0.00 -1.71 1.39 0.31 -1.26 -5.12 118.33 111.94 2vak n VAL 62 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2vak n VAL 62 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2vak n VAL 62 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2vak n SER 63 N 0.00 2.87 -4.19 4.52 7.64 -1.26 -5.04 113.62 118.16 2vak n SER 63 Ca 0.00 1.18 -0.15 0.00 1.01 0.00 0.00 58.87 60.91 2vak n SER 63 Cb 0.33 -1.51 -0.11 0.00 -1.01 0.00 0.00 64.21 61.91 2vak n SER 63 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2vak s THR 64 N -1.13 1.02 0.27 0.44 2.01 -0.97 -5.00 115.64 112.28 2vak s THR 64 Ca 0.57 -1.68 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 2vak s THR 64 Cb -0.53 -1.42 0.23 0.00 0.01 0.00 0.00 72.50 70.79 2vak s THR 64 CO 0.61 -0.55 1.91 -0.65 -0.69 0.00 0.00 174.62 175.26 2vak h PRO 65 N 3.50 1.11 0.00 4.92 0.11 -1.96 -1.81 132.00 137.87 2vak h PRO 65 Ca -0.38 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2vak h PRO 65 Cb 1.19 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2vak h PRO 65 CO 0.53 0.79 0.00 -0.85 -0.21 0.00 0.00 178.00 178.26 2vak n GLU 66 N -4.37 0.09 -3.09 1.05 0.00 -1.26 -4.06 120.64 109.00 2vak n GLU 66 Ca 0.09 0.25 -0.19 0.00 0.00 0.00 0.00 57.16 57.31 2vak n GLU 66 Cb 0.07 -1.65 -0.04 0.00 0.00 0.00 0.00 31.44 29.83 2vak n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2vak n ALA 67 N -1.61 1.23 0.26 -1.84 0.00 -1.03 -4.75 120.51 112.78 2vak n ALA 67 Ca 0.04 -2.65 0.14 0.00 0.00 0.00 0.00 53.44 50.98 2vak n ALA 67 Cb 0.25 -0.98 0.61 0.00 0.00 0.00 0.00 19.45 19.32 2vak n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2vak h PRO 68 N 4.48 0.00 -5.72 0.00 0.13 -1.48 -2.58 132.00 126.83 2vak h PRO 68 Ca 0.07 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.72 2vak h PRO 68 Cb 0.94 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.90 2vak h PRO 68 CO 0.36 0.09 -0.77 0.71 -0.23 0.00 0.00 178.00 178.16 2vak s TYR 69 N -3.69 1.67 0.29 1.56 1.51 -1.26 -4.63 117.35 112.80 2vak s TYR 69 Ca 0.01 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 2vak s TYR 69 Cb 0.10 -0.84 0.69 0.00 -0.11 0.00 0.00 41.96 41.80 2vak s TYR 69 CO 0.58 0.28 1.74 -1.35 -1.11 0.00 0.00 175.55 175.68 2vak h PRO 70 N 3.21 0.55 0.00 -1.71 0.11 -1.81 -1.11 132.00 131.24 2vak h PRO 70 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2vak h PRO 70 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2vak h PRO 70 CO 0.53 0.36 0.00 0.41 -0.21 0.00 0.00 178.00 179.09 2vak n GLY 71 N -1.33 -1.06 0.33 -0.55 0.00 0.21 -2.93 105.19 99.86 2vak n GLY 71 Ca 0.21 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 1.06 -0.31 1.61 0.02 -1.41 -2.90 113.55 111.63 2vak h SER 72 Ca 0.00 -0.19 -0.15 0.00 -0.84 0.00 0.00 61.79 60.62 2vak h SER 72 Cb 0.24 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 2vak h SER 72 CO 0.00 0.96 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.20 2vak h LEU 73 N 1.10 0.88 -0.07 5.07 3.38 -1.67 -0.68 115.31 123.33 2vak h LEU 73 Ca 0.25 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2vak h LEU 73 Cb 0.25 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2vak h LEU 73 CO -0.02 1.20 -0.23 0.24 0.09 0.00 0.00 178.44 179.72 2vak h MET 74 N 0.58 -0.32 0.04 1.13 2.86 -1.70 0.11 114.93 117.63 2vak h MET 74 Ca 0.04 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2vak h MET 74 Cb 0.98 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2vak h MET 74 CO 0.09 -0.21 -0.02 -0.92 1.06 0.00 0.00 176.91 176.91 2vak h TYR 75 N -0.33 -0.04 -0.18 -0.22 3.20 -1.45 -2.35 116.97 115.60 2vak h TYR 75 Ca 0.08 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 2vak h TYR 75 Cb 0.45 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2vak h TYR 75 CO -0.30 -0.03 -0.27 1.96 -1.64 0.00 0.00 178.16 177.88 2vak h GLN 76 N -0.05 0.33 -0.07 1.82 4.20 -0.91 -1.92 115.11 118.51 2vak h GLN 76 Ca -0.00 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 2vak h GLN 76 Cb 0.04 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2vak h GLN 76 CO 0.01 0.58 -0.26 0.93 -0.67 0.00 0.00 178.83 179.42 2vak h GLU 77 N 0.29 0.13 -0.71 1.46 5.08 -0.73 -1.52 114.58 118.58 2vak h GLU 77 Ca 0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2vak h GLU 77 Cb 0.64 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2vak h GLU 77 CO 0.05 0.38 0.47 0.66 -1.00 0.00 0.00 179.01 179.57 2vak h SER 78 N 0.12 0.82 -0.03 1.42 4.64 -0.79 -0.54 113.55 119.20 2vak h SER 78 Ca 0.02 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 2vak h SER 78 Cb 0.52 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2vak h SER 78 CO 0.04 0.60 -0.48 0.24 -0.87 0.00 0.00 176.83 176.35 2vak h MET 79 N 0.96 0.58 0.27 4.77 2.86 -1.29 0.81 114.93 123.91 2vak h MET 79 Ca 0.26 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2vak h MET 79 Cb -0.10 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2vak h MET 79 CO -0.06 0.94 -0.21 1.25 1.06 0.00 0.00 176.91 179.89 2vak h LEU 80 N 0.46 -0.56 -0.61 1.22 5.85 -0.83 -1.71 115.31 119.14 2vak h LEU 80 Ca 0.02 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2vak h LEU 80 Cb 1.02 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 2vak h LEU 80 CO 0.09 -0.33 0.22 0.45 -0.34 0.00 0.00 178.44 178.54 2vak h HIS 81 N -0.49 0.39 0.00 1.25 3.86 -0.94 -1.56 115.15 117.65 2vak h HIS 81 Ca -0.02 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 2vak h HIS 81 Cb 0.44 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 2vak h HIS 81 CO -0.13 0.09 -0.16 0.77 0.86 0.00 0.00 177.93 179.36 2vak h SER 82 N 0.40 0.00 0.18 2.45 0.02 -0.59 -2.64 113.55 113.38 2vak h SER 82 Ca 0.31 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.92 2vak h SER 82 Cb 0.39 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.94 2vak h SER 82 CO -0.31 0.16 -1.68 0.00 -1.14 0.00 0.00 176.83 173.86 2vak h ALA 83 N 1.84 0.14 0.00 3.77 0.00 -0.98 -3.42 119.26 120.61 2vak h ALA 83 Ca -0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 54.91 53.61 2vak h ALA 83 Cb 0.47 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2vak h ALA 83 CO 0.02 0.97 -2.18 0.25 0.00 0.00 0.00 179.25 178.31 2vak n THR 84 N -3.66 0.68 -0.08 0.00 -2.24 -0.62 -4.65 114.28 103.71 2vak n THR 84 Ca -0.24 -0.67 -0.09 0.00 -2.27 0.00 0.00 64.05 60.78 2vak n THR 84 Cb 1.05 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.50 1.45 -0.29 2.28 0.31 -1.00 -4.40 118.33 114.19 2vak n VAL 85 Ca -0.18 0.14 0.18 0.00 -0.01 0.00 0.00 64.34 64.47 2vak n VAL 85 Cb 0.86 -2.32 0.45 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.51 -0.00 5.55 0.11 -1.80 -1.82 132.00 133.55 2vak h PRO 86 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2vak h PRO 86 Cb 0.76 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2vak h PRO 86 CO -0.05 0.33 -0.01 0.41 -0.21 0.00 0.00 178.00 178.48 2vak n GLY 87 N -1.45 -1.21 0.91 -0.55 0.00 -1.26 -3.27 105.19 98.35 2vak n GLY 87 Ca 0.21 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.22 0.54 0.83 1.61 3.14 -0.68 -4.61 118.33 117.94 2vak n VAL 88 Ca 0.16 -0.77 0.12 0.00 -2.96 0.00 0.00 64.34 60.89 2vak n VAL 88 Cb 0.23 0.91 0.31 0.00 -1.06 0.00 0.00 33.84 34.22 2vak n VAL 88 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2vak n LEU 89 N 1.12 0.50 0.08 6.55 4.77 -1.20 -4.03 117.00 124.78 2vak n LEU 89 Ca 0.15 0.21 0.10 0.00 -0.03 0.00 0.00 56.01 56.45 2vak n LEU 89 Cb 0.50 -0.28 0.42 0.00 -2.33 0.00 0.00 43.42 41.74 2vak n LEU 89 CO 0.12 0.02 0.81 0.61 -1.33 0.00 0.00 177.39 177.62 2vak n GLY 90 N 1.43 -1.17 0.00 -0.72 0.00 -1.26 -3.89 105.19 99.57 2vak n GLY 90 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2vak n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vak n SER 91 N -1.95 0.00 0.16 1.61 3.41 -1.26 -5.02 113.62 110.58 2vak n SER 91 Ca 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.65 2vak n SER 91 Cb 0.21 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.42 2vak n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2vak h ARG 92 N 0.00 0.00 -0.20 4.33 3.08 -1.91 -3.22 114.38 116.46 2vak h ARG 92 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2vak h ARG 92 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2vak h ARG 92 CO 0.00 0.49 0.00 -0.25 -1.07 0.00 0.00 179.97 179.14 2vak n ASP 93 N -3.77 2.54 0.24 7.04 8.00 -1.26 -4.67 116.55 124.68 2vak n ASP 93 Ca -0.01 -2.02 0.08 0.00 0.71 0.00 0.00 54.79 53.54 2vak n ASP 93 Cb 0.54 -0.14 0.60 0.00 -0.02 0.00 0.00 41.12 42.10 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 1.15 1.65 0.00 2.24 0.00 -1.85 -2.15 119.26 120.30 2vak h ALA 94 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2vak h ALA 94 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2vak h ALA 94 CO 0.00 0.16 -0.07 0.11 0.00 0.00 0.00 179.25 179.45 2vak h TRP 95 N 0.00 0.00 0.45 0.00 5.08 -1.83 -1.74 115.95 117.91 2vak h TRP 95 Ca -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 2vak h TRP 95 Cb 0.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.39 2vak h TRP 95 CO 0.00 0.07 -0.35 0.00 -1.28 0.00 0.00 178.44 176.88 2vak h ARG 96 N 0.00 -0.77 0.00 0.12 3.08 -1.72 -3.28 114.38 111.81 2vak h ARG 96 Ca -0.00 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2vak h ARG 96 Cb 0.25 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2vak h ARG 96 CO 0.01 -0.51 -1.98 0.25 -1.07 0.00 0.00 179.97 176.67 2vak n THR 97 N -5.47 0.01 -1.60 2.04 -2.24 -1.24 -4.96 114.28 100.83 2vak n THR 97 Ca -0.11 -0.49 -0.52 0.00 -2.27 0.00 0.00 64.05 60.66 2vak n THR 97 Cb 0.37 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.25 1.55 -3.86 4.78 7.35 -0.65 -4.37 117.46 120.00 2vak n PHE 98 Ca -0.04 0.63 -0.10 0.00 -0.76 0.00 0.00 57.45 57.17 2vak n PHE 98 Cb 0.56 -2.34 -0.09 0.00 0.35 0.00 0.00 39.48 37.96 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 0.60 0.05 -0.19 -2.13 2.20 -1.26 -4.35 114.94 109.86 2vak s ASN 99 Ca 0.85 -0.36 -0.16 0.00 -0.94 0.00 0.00 52.86 52.25 2vak s ASN 99 Cb -0.95 0.26 0.05 0.00 -2.00 0.00 0.00 41.25 38.61 2vak s ASN 99 CO 0.47 -0.51 0.49 0.54 -2.94 0.00 0.00 177.10 175.15 2vak s VAL 100 N -2.34 -0.00 -1.86 3.54 0.11 -0.35 0.40 120.40 119.89 2vak s VAL 100 Ca -0.07 0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 58.76 2vak s VAL 100 Cb -0.02 -0.69 0.23 0.00 -1.53 0.00 0.00 36.38 34.37 2vak s VAL 100 CO -0.03 0.01 0.61 0.49 -3.33 0.00 0.00 175.10 172.84 2vak n PHE 101 N 3.13 -1.20 -1.24 1.54 3.72 -1.26 -0.01 117.46 122.13 2vak n PHE 101 Ca -0.15 0.69 -0.08 0.00 -0.05 0.00 0.00 57.45 57.85 2vak n PHE 101 Cb 0.56 -1.91 -0.04 0.00 -0.94 0.00 0.00 39.48 37.16 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 -1.07 0.95 3.67 1.37 0.00 -1.26 -4.21 105.19 104.64 2vak n GLY 102 Ca 0.12 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.88 3.40 0.03 0.99 1.43 0.98 0.75 118.68 124.38 2vak s LEU 103 Ca 0.00 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2vak s LEU 103 Cb 0.00 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2vak s LEU 103 CO 0.00 0.16 0.03 -0.44 0.23 0.00 0.00 176.35 176.32 2vak s SER 104 N -2.44 0.27 0.34 2.29 0.01 0.29 -1.21 113.70 113.25 2vak s SER 104 Ca 0.26 -0.63 -0.23 0.00 1.31 0.00 0.00 55.95 56.66 2vak s SER 104 Cb -0.11 0.18 -0.10 0.00 0.21 0.00 0.00 66.02 66.20 2vak s SER 104 CO 0.18 -0.47 0.89 0.26 0.41 0.00 0.00 173.24 174.52 2vak s TRP 105 N -2.56 3.54 0.08 2.43 0.52 -1.26 -1.39 118.94 120.29 2vak s TRP 105 Ca -0.05 1.62 -0.06 0.00 0.02 0.00 0.00 56.10 57.62 2vak s TRP 105 Cb -0.02 -2.82 -0.25 0.00 -1.15 0.00 0.00 33.47 29.23 2vak s TRP 105 CO -0.05 0.12 1.15 1.79 0.02 0.00 0.00 176.95 179.99 2vak h THR 106 N 2.35 1.45 -4.78 2.01 1.35 -1.51 -3.47 112.91 110.31 2vak h THR 106 Ca -0.48 -2.87 -0.44 0.00 -0.55 0.00 0.00 66.41 62.07 2vak h THR 106 Cb 1.19 2.85 -0.12 0.00 -1.73 0.00 0.00 68.15 70.33 2vak h THR 106 CO 0.64 0.85 -0.45 1.51 -0.25 0.00 0.00 175.52 177.81 2vak s ASP 107 N -7.20 1.52 0.38 5.36 1.47 -1.26 -5.03 116.67 111.90 2vak s ASP 107 Ca -0.05 -1.71 0.09 0.00 1.18 0.00 0.00 52.55 52.06 2vak s ASP 107 Cb 0.07 0.57 0.75 0.00 -0.34 0.00 0.00 42.92 43.97 2vak s ASP 107 CO 0.89 -1.09 1.90 -0.08 0.68 0.00 0.00 175.17 177.47 2vak h GLU 108 N 2.15 0.27 0.00 2.11 4.81 -1.93 -2.93 114.58 119.06 2vak h GLU 108 Ca -0.26 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2vak h GLU 108 Cb 1.23 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2vak h GLU 108 CO 0.37 0.40 0.00 0.41 -0.73 0.00 0.00 179.01 179.47 2vak n GLY 109 N -0.85 -0.56 3.75 1.92 0.00 -1.26 -4.89 105.19 103.29 2vak n GLY 109 Ca -0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.96 -2.94 0.05 0.99 4.77 -1.11 -4.90 117.00 112.90 2vak n LEU 110 Ca 0.12 -0.87 -0.16 0.00 -0.03 0.00 0.00 56.01 55.07 2vak n LEU 110 Cb 0.06 -2.56 -0.14 0.00 -2.33 0.00 0.00 43.42 38.44 2vak n LEU 110 CO 0.09 0.41 -0.37 -1.28 -1.33 0.00 0.00 177.39 174.91 2vak h SER 111 N -1.85 0.35 -5.03 -1.43 0.87 -1.90 -3.48 113.55 101.08 2vak h SER 111 Ca -0.62 -0.52 -0.09 0.00 -1.23 0.00 0.00 61.79 59.33 2vak h SER 111 Cb 1.36 -0.12 -0.17 0.00 -0.44 0.00 0.00 62.40 63.03 2vak h SER 111 CO 0.57 1.44 -0.18 -0.83 -0.53 0.00 0.00 176.83 177.30 2vak s GLY 112 N -5.00 -0.21 -0.11 5.77 0.00 -1.26 -4.51 107.32 102.00 2vak s GLY 112 Ca -0.09 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.84 2vak s GLY 112 CO 0.84 -0.01 -0.03 1.08 0.00 0.00 0.00 173.10 174.98 2vak s LEU 113 N -1.89 3.33 0.27 0.66 1.43 0.21 -1.22 118.68 121.48 2vak s LEU 113 Ca -0.07 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2vak s LEU 113 Cb -0.01 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2vak s LEU 113 CO -0.01 0.29 0.26 0.68 0.23 0.00 0.00 176.35 177.79 2vak s VAL 114 N -0.34 0.00 0.36 -1.59 -7.23 -0.49 -4.64 120.40 106.48 2vak s VAL 114 Ca 0.06 -1.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 2vak s VAL 114 Cb -0.12 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 34.21 2vak s VAL 114 CO 0.02 0.00 1.43 0.00 -0.31 0.00 0.00 175.10 176.24 2vak s ALA 115 N -3.73 3.55 0.96 1.32 0.00 -1.26 -0.55 121.76 122.05 2vak s ALA 115 Ca 0.37 1.47 -0.13 0.00 0.00 0.00 0.00 51.96 53.68 2vak s ALA 115 Cb 0.04 -3.57 0.17 0.00 0.00 0.00 0.00 23.12 19.76 2vak s ALA 115 CO 0.19 -0.92 1.13 0.00 0.00 0.00 0.00 175.76 176.16 2vak s ALA 116 N -1.13 1.44 0.02 0.00 0.00 0.23 -4.46 121.76 117.87 2vak s ALA 116 Ca 0.51 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 2vak s ALA 116 Cb -0.44 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 2vak s ALA 116 CO 0.60 -2.56 0.65 -1.14 0.00 0.00 0.00 175.76 173.31 2vak s GLN 117 N -5.21 4.37 -0.17 0.00 0.74 -1.26 -4.93 119.66 113.20 2vak s GLN 117 Ca 0.65 0.84 -0.04 0.00 0.05 0.00 0.00 55.36 56.86 2vak s GLN 117 Cb -0.15 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 2vak s GLN 117 CO 0.55 0.38 -0.03 -0.51 -0.55 0.00 0.00 175.29 175.13 2vak s ASP 118 N -0.29 4.84 0.69 6.67 1.11 -1.26 -0.62 116.67 127.81 2vak s ASP 118 Ca 0.33 -0.14 -0.16 0.00 0.18 0.00 0.00 52.55 52.77 2vak s ASP 118 Cb -0.19 -1.80 0.01 0.00 1.07 0.00 0.00 42.92 42.01 2vak s ASP 118 CO 0.19 0.15 1.18 -2.16 1.18 0.00 0.00 175.17 175.71 2vak s PRO 119 N 0.50 2.48 0.13 8.23 0.04 -1.26 -5.06 135.00 140.05 2vak s PRO 119 Ca -0.03 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 2vak s PRO 119 Cb -0.14 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2vak s PRO 119 CO 0.03 -1.55 1.29 -1.25 0.04 0.00 0.00 177.00 175.56 2vak s PRO 120 N -3.87 4.39 0.20 0.56 0.04 0.21 -4.94 135.00 131.58 2vak s PRO 120 Ca 0.72 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 2vak s PRO 120 Cb -0.26 -3.26 0.23 0.00 0.04 0.00 0.00 34.50 31.24 2vak s PRO 120 CO 0.42 -0.30 1.73 -1.35 0.04 0.00 0.00 177.00 177.54 2vak h PRO 121 N 6.26 0.31 -6.13 0.56 0.11 -1.91 -3.44 132.00 127.75 2vak h PRO 121 Ca -0.43 -0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 2vak h PRO 121 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2vak h PRO 121 CO 0.81 0.21 -0.42 0.00 -0.21 0.00 0.00 178.00 178.39 2vak s ALA 122 N -6.12 3.92 0.24 -0.75 0.00 -1.26 -5.08 121.76 112.72 2vak s ALA 122 Ca -0.13 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.51 2vak s ALA 122 Cb 0.16 -1.83 -0.11 0.00 0.00 0.00 0.00 23.12 21.34 2vak s ALA 122 CO 0.73 0.44 1.55 0.00 0.00 0.00 0.00 175.76 178.48 2vak s ALA 123 N -1.84 3.73 0.53 0.00 0.00 -1.26 -4.84 121.76 118.08 2vak s ALA 123 Ca 0.36 1.45 -0.21 0.00 0.00 0.00 0.00 51.96 53.56 2vak s ALA 123 Cb -0.11 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 2vak s ALA 123 CO 0.29 -0.86 1.05 -0.35 0.00 0.00 0.00 175.76 175.90 2vak n PRO 124 N 2.78 1.22 -2.48 0.00 -0.04 -1.26 -4.67 135.00 130.55 2vak n PRO 124 Ca 0.10 0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 63.63 2vak n PRO 124 Cb 0.38 -2.21 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 2vak n PRO 124 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2vak s TYR 125 N -1.40 3.32 -0.39 0.54 5.04 0.16 -4.98 117.35 119.65 2vak s TYR 125 Ca 0.71 1.65 -0.07 0.00 -2.44 0.00 0.00 57.07 56.91 2vak s TYR 125 Cb -0.46 -3.22 0.07 0.00 0.35 0.00 0.00 41.96 38.70 2vak s TYR 125 CO 0.51 -0.73 0.19 -0.65 -1.34 0.00 0.00 175.55 173.53 2vak s GLN 126 N -2.15 2.48 0.40 4.97 -1.52 -1.26 -4.73 119.66 117.85 2vak s GLN 126 Ca 0.54 -1.45 -0.26 0.00 -1.95 0.00 0.00 55.36 52.24 2vak s GLN 126 Cb -0.27 -3.62 -0.11 0.00 -0.22 0.00 0.00 33.01 28.80 2vak s GLN 126 CO 0.34 -0.88 1.23 -2.30 -0.25 0.00 0.00 175.29 173.42 2vak n PRO 127 N 4.81 1.89 -3.65 2.91 -0.02 -1.26 -5.02 135.00 134.65 2vak n PRO 127 Ca -0.09 0.67 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 2vak n PRO 127 Cb 0.43 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.18 3.77 -0.15 3.55 0.00 -1.26 -4.90 121.76 121.59 2vak s ALA 128 Ca 0.60 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 2vak s ALA 128 Cb -0.54 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 2vak s ALA 128 CO 0.59 0.65 0.41 0.45 0.00 0.00 0.00 175.76 177.86 2vak s SER 129 N -2.44 6.55 -1.18 0.00 0.15 -1.26 -4.51 113.70 111.00 2vak s SER 129 Ca 0.42 0.65 -0.02 0.00 0.70 0.00 0.00 55.95 57.69 2vak s SER 129 Cb -0.12 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 2vak s SER 129 CO 0.24 -0.00 0.91 0.00 1.20 0.00 0.00 173.24 175.59 2vak n ALA 130 N 3.90 -2.16 -2.65 5.45 0.00 -1.10 -4.88 120.51 119.07 2vak n ALA 130 Ca -0.09 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 2vak n ALA 130 Cb 0.51 -3.20 -0.16 0.00 0.00 0.00 0.00 19.45 16.60 2vak n ALA 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2vak s GLN 131 N -5.29 2.14 0.17 0.00 2.00 -1.26 -4.84 119.66 112.58 2vak s GLN 131 Ca 0.13 -0.81 -0.28 0.00 -2.00 0.00 0.00 55.36 52.41 2vak s GLN 131 Cb -0.02 -1.90 -0.08 0.00 0.80 0.00 0.00 33.01 31.81 2vak s GLN 131 CO 0.76 0.39 0.86 -1.58 -0.50 0.00 0.00 175.29 175.21 2vak s TRP 132 N -0.25 3.90 0.07 1.67 0.52 -1.26 -1.53 118.94 122.06 2vak s TRP 132 Ca 0.01 1.74 0.07 0.00 0.02 0.00 0.00 56.10 57.93 2vak s TRP 132 Cb -0.12 -2.89 -0.03 0.00 -1.15 0.00 0.00 33.47 29.29 2vak s TRP 132 CO 0.02 0.42 -0.19 -1.12 0.02 0.00 0.00 176.95 176.11 2vak s SER 133 N -0.87 2.24 -0.34 2.95 0.01 0.29 -4.95 113.70 113.04 2vak s SER 133 Ca 0.39 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.96 2vak s SER 133 Cb -0.24 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 2vak s SER 133 CO 0.28 0.07 0.21 -0.62 0.41 0.00 0.00 173.24 173.59 2vak s ASP 134 N -1.51 5.85 0.37 2.44 -1.08 -1.26 -0.23 116.67 121.26 2vak s ASP 134 Ca 0.05 -0.55 0.26 0.00 -0.52 0.00 0.00 52.55 51.79 2vak s ASP 134 Cb -0.09 -2.08 0.76 0.00 -1.46 0.00 0.00 42.92 40.05 2vak s ASP 134 CO 0.03 -0.25 1.74 -0.07 0.52 0.00 0.00 175.17 177.14 2vak h LEU 135 N 8.45 0.00 0.00 -1.34 3.38 -0.92 -2.67 115.31 122.21 2vak h LEU 135 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2vak h LEU 135 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2vak h LEU 135 CO 0.64 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.35 2vak n LEU 136 N -2.75 0.00 0.31 1.67 4.77 -1.26 -2.53 117.00 117.21 2vak n LEU 136 Ca 0.04 0.19 0.20 0.00 -0.03 0.00 0.00 56.01 56.40 2vak n LEU 136 Cb 0.42 -0.19 0.98 0.00 -2.33 0.00 0.00 43.42 42.31 2vak n LEU 136 CO 0.30 -0.02 1.10 0.78 -1.33 0.00 0.00 177.39 178.22 2vak h ASN 137 N 0.00 0.00 -3.64 -1.43 2.35 -1.80 -3.39 115.58 107.67 2vak h ASN 137 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 2vak h ASN 137 Cb 0.17 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.47 2vak h ASN 137 CO 0.00 0.00 0.92 -0.47 -1.65 0.00 0.00 177.43 176.24 2vak s TYR 138 N -3.94 2.84 0.31 1.19 5.04 -1.05 -4.80 117.35 116.94 2vak s TYR 138 Ca -0.02 0.78 0.08 0.00 -2.44 0.00 0.00 57.07 55.47 2vak s TYR 138 Cb 0.11 -4.33 0.88 0.00 0.35 0.00 0.00 41.96 38.97 2vak s TYR 138 CO 0.47 -1.24 1.67 -1.35 -1.34 0.00 0.00 175.55 173.76 2vak h PRO 139 N 9.13 0.31 -0.05 4.97 0.11 -1.83 0.46 132.00 145.10 2vak h PRO 139 Ca -0.23 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 2vak h PRO 139 Cb 1.06 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2vak h PRO 139 CO 1.11 0.21 -0.42 -0.09 -0.21 0.00 0.00 178.00 178.60 2vak h ARG 140 N 0.32 0.12 0.01 1.05 2.43 -1.94 -2.66 114.38 113.70 2vak h ARG 140 Ca 0.64 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 59.52 2vak h ARG 140 Cb 1.34 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 2vak h ARG 140 CO -0.60 0.52 -1.21 -1.49 -1.51 0.00 0.00 179.97 175.68 2vak h TRP 141 N 0.10 0.02 -0.98 2.20 6.55 -1.19 0.50 115.95 123.15 2vak h TRP 141 Ca 0.01 -0.02 0.05 0.00 0.95 0.00 0.00 58.89 59.88 2vak h TRP 141 Cb 0.79 -0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 29.03 2vak h TRP 141 CO 0.01 1.02 0.63 0.00 -1.05 0.00 0.00 178.44 179.05 2vak h ALA 142 N 0.98 1.33 0.00 1.49 0.00 -1.07 -3.28 119.26 118.70 2vak h ALA 142 Ca -0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 2vak h ALA 142 Cb 1.85 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2vak h ALA 142 CO 0.12 0.47 -2.02 0.09 0.00 0.00 0.00 179.25 177.91 2vak n ASN 143 N -4.49 0.19 -3.90 0.00 5.03 -1.02 -4.60 115.26 106.47 2vak n ASN 143 Ca 0.14 0.08 -0.29 0.00 0.87 0.00 0.00 54.58 55.39 2vak n ASN 143 Cb 0.14 1.19 -0.11 0.00 -1.02 0.00 0.00 39.78 39.97 2vak n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2vak n ARG 144 N -2.60 1.93 0.11 3.52 1.74 0.16 -4.93 116.66 116.59 2vak n ARG 144 Ca -0.17 -4.50 -0.03 0.00 -0.77 0.00 0.00 57.85 52.37 2vak n ARG 144 Cb 0.87 -2.30 0.16 0.00 -1.02 0.00 0.00 32.46 30.17 2vak n ARG 144 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2vak h ARG 145 N 5.37 0.15 0.00 5.56 9.65 -1.81 -2.24 114.38 131.06 2vak h ARG 145 Ca 0.15 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 2vak h ARG 145 Cb 0.75 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 2vak h ARG 145 CO 0.74 0.68 -0.17 0.00 2.80 0.00 0.00 179.97 184.01 2vak h ARG 146 N 0.11 0.00 0.07 0.20 3.08 -1.92 -1.25 114.38 114.68 2vak h ARG 146 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2vak h ARG 146 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2vak h ARG 146 CO 0.08 0.17 -0.03 0.93 -1.07 0.00 0.00 179.97 180.05 2vak h GLU 147 N 0.00 -0.09 -0.46 0.04 5.08 -1.77 -2.38 114.58 115.01 2vak h GLU 147 Ca -0.00 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2vak h GLU 147 Cb 0.36 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2vak h GLU 147 CO 0.02 0.16 0.08 1.25 -1.00 0.00 0.00 179.01 179.53 2vak h LEU 148 N -0.33 -0.02 -1.93 1.33 5.85 -1.53 -3.09 115.31 115.59 2vak h LEU 148 Ca -0.01 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2vak h LEU 148 Cb 0.29 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2vak h LEU 148 CO 0.02 0.02 -0.09 1.56 -0.34 0.00 0.00 178.44 179.61 2vak h GLN 149 N 0.21 0.00 0.04 1.25 4.20 -1.11 0.14 115.11 119.83 2vak h GLN 149 Ca 0.23 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.70 2vak h GLN 149 Cb 0.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2vak h GLN 149 CO -0.31 0.09 -1.14 0.66 -0.67 0.00 0.00 178.83 177.46 2vak h SER 150 N 0.00 0.12 1.65 1.46 4.64 -1.37 -3.31 113.55 116.74 2vak h SER 150 Ca -0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2vak h SER 150 Cb 0.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2vak h SER 150 CO 0.01 1.11 -0.25 0.11 -0.87 0.00 0.00 176.83 176.94 2vak h LYS 151 N 0.02 0.00 -0.69 4.77 1.57 -1.18 -3.41 116.57 117.65 2vak h LYS 151 Ca -0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2vak h LYS 151 Cb 1.85 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.13 2vak h LYS 151 CO 0.14 0.00 0.16 -0.92 -0.57 0.00 0.00 179.45 178.26 2vak h TYR 152 N 0.00 1.16 -0.63 -1.35 3.20 -0.86 -2.87 116.97 115.62 2vak h TYR 152 Ca 0.00 -0.14 0.12 0.00 3.14 0.00 0.00 58.73 61.85 2vak h TYR 152 Cb 0.95 -0.33 -0.09 0.00 1.54 0.00 0.00 36.73 38.80 2vak h TYR 152 CO 0.00 0.94 0.15 -1.35 -1.64 0.00 0.00 178.16 176.26 2vak h PRO 153 N 1.05 0.27 -0.48 1.82 0.11 -1.80 0.72 132.00 133.69 2vak h PRO 153 Ca 0.22 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 2vak h PRO 153 Cb 0.38 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2vak h PRO 153 CO 0.00 0.18 0.15 1.25 -0.21 0.00 0.00 178.00 179.37 2vak h LEU 154 N 0.28 0.71 -0.56 2.35 5.85 -1.85 0.19 115.31 122.27 2vak h LEU 154 Ca 0.34 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 2vak h LEU 154 Cb 0.51 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2vak h LEU 154 CO -0.42 0.73 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.92 2vak h LEU 155 N 0.65 0.73 -0.60 2.25 3.38 -1.22 -2.86 115.31 117.64 2vak h LEU 155 Ca 0.16 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2vak h LEU 155 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2vak h LEU 155 CO -0.00 1.05 0.04 0.25 0.09 0.00 0.00 178.44 179.87 2vak h LEU 156 N 0.55 0.99 -0.31 1.67 5.85 0.58 -2.16 115.31 122.49 2vak h LEU 156 Ca 0.04 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.54 2vak h LEU 156 Cb 0.96 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 2vak h LEU 156 CO 0.09 1.04 -0.13 -0.09 -0.34 0.00 0.00 178.44 179.00 2vak h ARG 157 N 0.92 -0.08 -0.49 1.25 2.43 -0.50 0.95 114.38 118.87 2vak h ARG 157 Ca 0.17 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 2vak h ARG 157 Cb 0.50 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 2vak h ARG 157 CO 0.02 -0.05 0.17 0.77 -1.51 0.00 0.00 179.97 179.37 2vak h SER 158 N -0.08 0.17 -0.61 -3.80 0.02 -1.56 -1.06 113.55 106.63 2vak h SER 158 Ca 0.16 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2vak h SER 158 Cb 0.32 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 2vak h SER 158 CO -0.36 0.12 0.31 0.74 -1.14 0.00 0.00 176.83 176.50 2vak h THR 159 N 0.34 0.93 -0.06 -2.27 2.02 -0.73 -1.00 112.91 112.14 2vak h THR 159 Ca 0.24 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 67.08 2vak h THR 159 Cb 0.25 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2vak h THR 159 CO -0.25 0.11 -0.60 -0.07 0.37 0.00 0.00 175.52 175.08 2vak h LEU 160 N 0.58 0.22 -0.20 2.58 3.38 -0.55 -1.34 115.31 119.98 2vak h LEU 160 Ca 0.28 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2vak h LEU 160 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2vak h LEU 160 CO -0.19 0.77 -0.51 0.25 0.09 0.00 0.00 178.44 178.84 2vak h LEU 161 N 0.14 0.79 -0.75 1.67 5.85 -0.82 -2.37 115.31 119.82 2vak h LEU 161 Ca -0.01 -0.57 -0.11 0.00 0.84 0.00 0.00 57.88 58.03 2vak h LEU 161 Cb 1.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2vak h LEU 161 CO 0.09 1.22 -0.24 0.28 -0.34 0.00 0.00 178.44 179.45 2vak h SER 162 N 0.39 0.70 0.14 1.25 0.02 -1.16 -3.18 113.55 111.71 2vak h SER 162 Ca -0.01 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.57 2vak h SER 162 Cb 1.13 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2vak h SER 162 CO 0.11 0.92 -0.43 0.00 -1.14 0.00 0.00 176.83 176.29 2vak h ALA 163 N 1.13 0.98 -2.81 3.77 0.00 -1.28 -3.45 119.26 117.60 2vak h ALA 163 Ca 0.08 -0.44 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 2vak h ALA 163 Cb 0.72 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 18.48 2vak h ALA 163 CO 0.06 0.63 0.56 -1.64 0.00 0.00 0.00 179.25 178.85 2vak s MET 164 N -4.13 4.19 0.16 0.00 1.00 -0.89 -0.48 119.30 119.14 2vak s MET 164 Ca -0.06 2.00 -0.05 0.00 0.00 0.00 0.00 55.69 57.58 2vak s MET 164 Cb 0.13 -2.86 0.01 0.00 0.00 0.00 0.00 34.83 32.11 2vak s MET 164 CO 0.79 -0.26 1.42 -0.09 0.00 0.00 0.00 175.02 176.89 2vak h ARG 165 N 2.99 0.57 0.00 2.03 2.43 -1.85 -3.44 114.38 117.10 2vak h ARG 165 Ca -0.49 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.26 2vak h ARG 165 Cb 1.23 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2vak h ARG 165 CO 0.64 1.05 0.00 0.00 -1.51 0.00 0.00 179.97 180.15 2vak n ALA 166 N -2.54 0.00 -1.73 2.80 0.00 -1.26 -4.98 120.51 112.80 2vak n ALA 166 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 2vak n ALA 166 Cb 0.69 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.28 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 1.64 0.55 0.00 0.00 0.11 -5.00 107.32 104.63 2vak s GLY 167 Ca 0.00 -0.81 -0.21 0.00 0.00 0.00 0.00 44.72 43.70 2vak s GLY 167 CO 0.00 -0.18 1.34 2.56 0.00 0.00 0.00 173.10 176.82 2vak s PRO 168 N -5.57 3.10 0.13 2.90 0.04 -1.26 -4.08 135.00 130.27 2vak s PRO 168 Ca 0.67 2.19 -0.10 0.00 0.04 0.00 0.00 61.00 63.81 2vak s PRO 168 Cb -0.10 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 2vak s PRO 168 CO 0.52 -1.21 0.45 0.54 0.04 0.00 0.00 177.00 177.35 2vak s VAL 169 N -1.33 5.03 -0.01 -0.36 0.11 -1.26 -2.73 120.40 119.86 2vak s VAL 169 Ca 0.72 0.44 0.02 0.00 -2.93 0.00 0.00 61.98 60.24 2vak s VAL 169 Cb -0.39 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 2vak s VAL 169 CO 0.46 0.16 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.58 2vak s LEU 170 N -2.25 3.25 -0.45 2.54 1.43 0.16 -4.69 118.68 118.66 2vak s LEU 170 Ca 0.38 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.17 2vak s LEU 170 Cb -0.13 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2vak s LEU 170 CO 0.20 0.29 0.70 -0.47 0.23 0.00 0.00 176.35 177.30 2vak s TYR 171 N -0.99 3.03 -0.34 0.29 5.04 -1.26 -1.71 117.35 121.40 2vak s TYR 171 Ca 0.17 -0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 54.74 2vak s TYR 171 Cb -0.11 -3.49 0.06 0.00 0.35 0.00 0.00 41.96 38.77 2vak s TYR 171 CO 0.07 -0.94 0.08 0.08 -1.34 0.00 0.00 175.55 173.51 2vak s VAL 172 N 3.00 3.35 -0.06 3.14 1.01 0.83 -4.81 120.40 126.86 2vak s VAL 172 Ca 0.25 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.80 2vak s VAL 172 Cb -0.14 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2vak s VAL 172 CO 0.20 -0.26 -0.09 -0.70 0.00 0.00 0.00 175.10 174.24 2vak s GLU 173 N 1.28 1.34 0.13 2.72 2.12 -1.26 -0.35 118.70 124.68 2vak s GLU 173 Ca -0.01 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.11 2vak s GLU 173 Cb -0.20 -1.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.98 2vak s GLU 173 CO -0.00 -0.01 -0.19 0.95 -0.54 0.00 0.00 175.26 175.46 2vak s THR 174 N 0.75 1.70 0.06 -1.70 -4.23 0.11 -4.70 115.64 107.62 2vak s THR 174 Ca -0.13 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 58.52 2vak s THR 174 Cb -0.15 -1.65 0.03 0.00 1.34 0.00 0.00 72.50 72.06 2vak s THR 174 CO 0.02 -0.20 0.35 -1.66 -0.54 0.00 0.00 174.62 172.59 2vak s TRP 175 N -1.61 -0.16 0.44 3.99 -2.14 -1.26 0.11 118.94 118.31 2vak s TRP 175 Ca 0.10 0.00 -0.23 0.00 2.66 0.00 0.00 56.10 58.63 2vak s TRP 175 Cb -0.08 0.15 -0.11 0.00 -3.10 0.00 0.00 33.47 30.34 2vak s TRP 175 CO 0.05 -0.56 0.87 -2.30 -2.66 0.00 0.00 176.95 172.35 2vak n PRO 176 N 0.38 1.07 -1.08 3.25 -0.02 -1.25 -2.25 135.00 135.08 2vak n PRO 176 Ca -0.18 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2vak n PRO 176 Cb 0.60 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2vak n PRO 176 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2vak n ASN 177 N 0.60 0.00 0.03 2.55 6.94 -1.26 -4.89 115.26 119.23 2vak n ASN 177 Ca 0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.64 2vak n ASN 177 Cb 0.40 0.00 0.23 0.00 -2.36 0.00 0.00 39.78 38.05 2vak n ASN 177 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2vak h MET 178 N 0.50 0.44 -3.46 -3.83 -0.00 -1.83 -3.33 114.93 103.42 2vak h MET 178 Ca 0.00 -0.15 -0.74 0.00 -0.00 0.00 0.00 59.70 58.80 2vak h MET 178 Cb 0.00 -0.03 -0.32 0.00 -0.00 0.00 0.00 31.60 31.25 2vak h MET 178 CO 0.00 0.64 0.08 0.42 -0.00 0.00 0.00 176.91 178.05 2vak s ILE 179 N -4.54 4.95 0.09 -0.10 1.01 -1.26 -4.89 121.20 116.46 2vak s ILE 179 Ca -0.07 -3.54 0.01 0.00 0.00 0.00 0.00 60.65 57.05 2vak s ILE 179 Cb 0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2vak s ILE 179 CO 0.78 -1.10 -0.04 -0.94 0.00 0.00 0.00 174.94 173.64 2vak s SER 180 N 0.58 0.89 1.95 3.58 1.04 -1.25 -4.51 113.70 115.98 2vak s SER 180 Ca 0.27 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2vak s SER 180 Cb -0.09 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2vak s SER 180 CO -0.10 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2vak n GLY 181 N -0.01 3.71 0.20 7.32 0.00 -1.26 -2.87 105.19 112.28 2vak n GLY 181 Ca -0.12 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2vak n GLY 181 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2vak h ARG 182 N 0.00 0.12 -0.00 1.61 2.43 -1.98 -0.70 114.38 115.86 2vak h ARG 182 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2vak h ARG 182 Cb 0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2vak h ARG 182 CO 0.00 0.44 -0.00 1.25 -1.51 0.00 0.00 179.97 180.15 2vak h LEU 183 N 0.11 0.01 -1.44 3.80 5.85 -1.92 -0.93 115.31 120.79 2vak h LEU 183 Ca 0.01 -0.50 0.17 0.00 0.84 0.00 0.00 57.88 58.40 2vak h LEU 183 Cb 0.63 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 2vak h LEU 183 CO 0.05 0.50 0.56 0.00 -0.34 0.00 0.00 178.44 179.21 2vak h ALA 184 N 0.51 2.03 -0.44 1.25 0.00 -1.36 0.39 119.26 121.63 2vak h ALA 184 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2vak h ALA 184 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2vak h ALA 184 CO 0.00 -0.28 0.07 -0.44 0.00 0.00 0.00 179.25 178.60 2vak h ASP 185 N 0.52 0.70 -0.42 0.00 3.32 -0.92 -2.54 116.42 117.08 2vak h ASP 185 Ca 0.44 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2vak h ASP 185 Cb 0.91 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2vak h ASP 185 CO -0.18 0.79 0.19 -0.25 -1.72 0.00 0.00 179.24 178.07 2vak h TRP 186 N 0.59 0.62 -0.61 4.55 7.01 0.42 -2.00 115.95 126.53 2vak h TRP 186 Ca 0.13 -0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.17 2vak h TRP 186 Cb 0.38 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.19 2vak h TRP 186 CO 0.03 0.52 0.29 0.74 -2.79 0.00 0.00 178.44 177.23 2vak h PHE 187 N 0.54 0.52 -0.35 2.65 0.04 -1.05 -2.32 116.94 116.96 2vak h PHE 187 Ca 0.14 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 2vak h PHE 187 Cb 0.14 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2vak h PHE 187 CO -0.01 0.21 0.14 1.98 -0.60 0.00 0.00 178.31 180.03 2vak h MET 188 N 0.53 0.49 0.00 1.51 4.05 -0.98 -0.19 114.93 120.34 2vak h MET 188 Ca 0.29 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2vak h MET 188 Cb 0.27 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2vak h MET 188 CO -0.23 0.41 0.00 -1.13 0.23 0.00 0.00 176.91 176.19 2vak n SER 189 N -4.39 0.11 -0.02 1.39 3.41 -0.80 -2.39 113.62 110.92 2vak n SER 189 Ca 0.02 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2vak n SER 189 Cb 0.14 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2vak n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vak n GLN 190 N -1.65 1.69 -1.18 4.33 1.13 -0.10 -5.03 117.38 116.56 2vak n GLN 190 Ca 0.00 -0.37 -0.44 0.00 -1.94 0.00 0.00 57.00 54.25 2vak n GLN 190 Cb 0.03 -0.85 -0.05 0.00 0.11 0.00 0.00 30.24 29.48 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 -0.31 0.18 -0.67 1.08 9.36 -1.01 0.45 117.16 126.24 2vak n TYR 191 Ca 0.00 0.83 0.00 0.00 3.32 0.00 0.00 57.90 62.05 2vak n TYR 191 Cb 0.02 -1.65 0.00 0.00 -0.63 0.00 0.00 39.34 37.08 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 1.36 0.37 3.80 2.98 0.00 0.22 -5.00 105.19 108.93 2vak n GLY 192 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.37 5.13 0.10 1.61 0.01 0.17 -4.67 114.94 114.93 2vak s ASN 193 Ca 0.00 1.68 -0.23 0.00 -0.71 0.00 0.00 52.86 53.61 2vak s ASN 193 Cb 0.00 -2.50 -0.07 0.00 0.41 0.00 0.00 41.25 39.09 2vak s ASN 193 CO 0.00 -1.61 0.69 0.21 -1.51 0.00 0.00 177.10 174.88 2vak s ASN 194 N -3.65 7.21 0.17 -1.22 3.84 -1.26 -1.11 114.94 118.93 2vak s ASN 194 Ca 0.59 1.44 -0.16 0.00 0.21 0.00 0.00 52.86 54.94 2vak s ASN 194 Cb -0.15 -2.44 0.12 0.00 -0.55 0.00 0.00 41.25 38.23 2vak s ASN 194 CO 0.55 0.19 1.68 0.15 -2.79 0.00 0.00 177.10 176.88 2vak h PHE 195 N 4.77 -0.10 -0.76 0.43 3.57 -1.57 0.17 116.94 123.45 2vak h PHE 195 Ca -0.47 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 2vak h PHE 195 Cb 1.21 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.02 2vak h PHE 195 CO 0.66 -0.12 0.40 0.28 -2.23 0.00 0.00 178.31 177.30 2vak h VAL 196 N 0.07 1.23 -0.63 1.41 2.07 -1.93 -0.27 116.25 118.20 2vak h VAL 196 Ca 0.21 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 2vak h VAL 196 Cb 0.31 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2vak h VAL 196 CO -0.38 0.26 0.07 0.44 0.02 0.00 0.00 177.57 177.99 2vak h ASP 197 N 1.05 1.02 -0.94 0.57 3.32 -1.88 -0.52 116.42 119.04 2vak h ASP 197 Ca 0.27 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2vak h ASP 197 Cb 0.05 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 2vak h ASP 197 CO -0.04 1.03 0.61 0.24 -1.72 0.00 0.00 179.24 179.35 2vak h MET 198 N 0.98 1.25 -0.29 3.56 2.86 -0.07 -2.05 114.93 121.18 2vak h MET 198 Ca 0.19 -0.08 -0.19 0.00 -2.06 0.00 0.00 59.70 57.56 2vak h MET 198 Cb 0.46 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2vak h MET 198 CO 0.02 0.84 -0.55 0.00 1.06 0.00 0.00 176.91 178.28 2vak h ALA 200 N 0.67 0.92 -0.43 0.00 0.00 -0.96 -1.42 119.26 118.03 2vak h ALA 200 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2vak h ALA 200 Cb 1.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2vak h ALA 200 CO 0.12 0.21 -0.20 0.00 0.00 0.00 0.00 179.25 179.38 2vak h ARG 201 N 0.85 0.85 -0.48 0.00 3.08 -1.33 -2.37 114.38 114.98 2vak h ARG 201 Ca 0.28 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2vak h ARG 201 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2vak h ARG 201 CO -0.11 0.97 0.01 -0.07 -1.07 0.00 0.00 179.97 179.70 2vak h LEU 202 N 0.74 0.74 0.39 3.04 3.38 -1.29 0.86 115.31 123.17 2vak h LEU 202 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2vak h LEU 202 Cb 0.73 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2vak h LEU 202 CO 0.06 0.80 -0.28 0.74 0.09 0.00 0.00 178.44 179.85 2vak h THR 203 N 0.73 0.41 -0.25 0.22 2.02 -1.16 -1.66 112.91 113.23 2vak h THR 203 Ca 0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.36 2vak h THR 203 Cb 0.43 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2vak h THR 203 CO 0.02 0.00 0.04 -0.61 0.37 0.00 0.00 175.52 175.34 2vak h GLN 204 N -0.66 0.13 -0.31 6.66 5.75 -1.15 -2.63 115.11 122.89 2vak h GLN 204 Ca -0.04 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.55 2vak h GLN 204 Cb 0.56 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2vak h GLN 204 CO 0.01 0.09 0.25 1.03 -2.65 0.00 0.00 178.83 177.56 2vak h SER 205 N 0.13 0.00 0.08 -0.69 0.87 0.83 -2.19 113.55 112.59 2vak h SER 205 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2vak h SER 205 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2vak h SER 205 CO -0.16 0.00 -0.09 0.00 -0.53 0.00 0.00 176.83 176.05 2vak n SER 207 N -0.15 0.00 -4.55 0.00 7.64 -0.82 -3.03 113.62 112.70 2vak n SER 207 Ca 0.17 0.73 -0.34 0.00 1.01 0.00 0.00 58.87 60.44 2vak n SER 207 Cb 0.35 -0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 2vak n SER 207 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2vak s ASN 208 N -2.87 5.35 0.00 6.43 -0.87 -1.26 -4.88 114.94 116.84 2vak s ASN 208 Ca 0.00 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.05 2vak s ASN 208 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2vak s ASN 208 CO 0.00 -2.45 0.83 0.23 -2.57 0.00 0.00 177.10 173.15 2vak n MET 209 N 9.05 0.00 0.00 -0.60 2.81 -1.17 -4.88 117.12 122.33 2vak n MET 209 Ca 0.28 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 57.00 2vak n MET 209 Cb 0.50 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 2vak n MET 209 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2vak n PRO 210 N -2.78 0.00 -4.02 0.03 -0.02 -1.26 -4.84 135.00 122.12 2vak n PRO 210 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 2vak n PRO 210 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.33 2vak n PRO 210 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vak s VAL 211 N 0.00 2.39 -0.10 -1.45 1.01 -1.26 -5.00 120.40 115.98 2vak s VAL 211 Ca 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.12 2vak s VAL 211 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2vak s VAL 211 CO 0.00 -0.21 0.17 -0.70 0.00 0.00 0.00 175.10 174.35 2vak s GLU 212 N 1.08 3.48 0.22 2.72 2.56 -1.26 -4.81 118.70 122.69 2vak s GLU 212 Ca -0.03 -0.09 -0.32 0.00 0.00 0.00 0.00 54.97 54.53 2vak s GLU 212 Cb -0.20 -3.19 -0.13 0.00 2.00 0.00 0.00 34.13 32.61 2vak s GLU 212 CO -0.05 0.77 1.48 -2.30 -0.56 0.00 0.00 175.26 174.59 2vak n PRO 213 N 1.92 2.14 -0.55 4.30 -0.02 -1.26 -1.37 135.00 140.15 2vak n PRO 213 Ca -0.19 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2vak n PRO 213 Cb 0.55 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2vak n PRO 213 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vak n ASP 214 N 2.54 0.00 -3.11 2.55 10.43 -1.26 -5.03 116.55 122.67 2vak n ASP 214 Ca 0.13 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.49 2vak n ASP 214 Cb 0.31 -0.74 0.00 0.00 1.84 0.00 0.00 41.12 42.53 2vak n ASP 214 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2vak n GLY 215 N -2.00 -3.46 0.10 0.44 0.00 -0.47 -4.72 105.19 95.08 2vak n GLY 215 Ca 0.00 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.48 0.25 -0.62 1.61 2.35 -1.96 -2.46 115.58 113.27 2vak h ASN 216 Ca 0.00 -0.84 0.01 0.00 -0.55 0.00 0.00 56.30 54.92 2vak h ASN 216 Cb 0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2vak h ASN 216 CO 0.00 1.07 0.40 1.88 -1.65 0.00 0.00 177.43 179.13 2vak h TYR 217 N -0.53 0.76 -0.30 1.19 0.05 -1.94 -0.74 116.97 115.46 2vak h TYR 217 Ca -0.05 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.76 2vak h TYR 217 Cb 1.14 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.60 2vak h TYR 217 CO 0.20 0.47 0.18 0.22 -1.05 0.00 0.00 178.16 178.18 2vak h ASP 218 N 0.82 0.31 0.01 3.88 3.58 -1.81 -0.67 116.42 122.52 2vak h ASP 218 Ca 0.24 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 2vak h ASP 218 Cb -0.06 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2vak h ASP 218 CO -0.07 0.22 -0.23 1.56 -2.88 0.00 0.00 179.24 177.85 2vak h GLN 219 N 0.38 0.37 0.30 0.28 4.20 -1.34 -1.75 115.11 117.55 2vak h GLN 219 Ca 0.11 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2vak h GLN 219 Cb -0.02 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2vak h GLN 219 CO -0.04 0.59 -0.14 1.96 -0.67 0.00 0.00 178.83 180.52 2vak h GLN 220 N 0.34 -0.39 -0.03 1.46 4.20 -0.54 -2.20 115.11 117.95 2vak h GLN 220 Ca 0.05 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2vak h GLN 220 Cb 0.59 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 2vak h GLN 220 CO 0.04 -0.16 0.00 0.52 -0.67 0.00 0.00 178.83 178.56 2vak h MET 221 N -0.55 0.06 -0.55 1.46 2.86 -1.08 -1.03 114.93 116.09 2vak h MET 221 Ca -0.04 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2vak h MET 221 Cb 0.41 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 2vak h MET 221 CO 0.07 0.34 0.29 0.00 1.06 0.00 0.00 176.91 178.67 2vak h ARG 222 N -0.23 0.55 -0.17 1.72 3.08 -1.40 -1.42 114.38 116.50 2vak h ARG 222 Ca 0.01 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 2vak h ARG 222 Cb 0.31 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2vak h ARG 222 CO 0.00 0.36 -0.54 0.00 -1.07 0.00 0.00 179.97 178.73 2vak h ALA 223 N 1.29 0.75 -0.72 0.04 0.00 -1.31 -2.89 119.26 116.42 2vak h ALA 223 Ca 0.24 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2vak h ALA 223 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2vak h ALA 223 CO -0.16 0.69 0.47 1.25 0.00 0.00 0.00 179.25 181.50 2vak h LEU 224 N 0.39 0.79 -0.29 0.00 5.85 -0.88 -0.99 115.31 120.17 2vak h LEU 224 Ca 0.01 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2vak h LEU 224 Cb 1.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2vak h LEU 224 CO 0.10 0.57 0.09 0.40 -0.34 0.00 0.00 178.44 179.25 2vak h ILE 225 N 0.94 1.21 0.00 4.05 2.04 -1.13 -2.29 117.51 122.33 2vak h ILE 225 Ca 0.27 -0.67 -0.21 0.00 1.00 0.00 0.00 64.86 65.25 2vak h ILE 225 Cb -0.07 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2vak h ILE 225 CO -0.08 0.22 -1.06 0.77 0.00 0.00 0.00 178.15 178.01 2vak h SER 226 N 0.31 0.00 -0.34 1.72 4.64 -1.45 0.29 113.55 118.73 2vak h SER 226 Ca 0.09 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 2vak h SER 226 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2vak h SER 226 CO -0.00 0.97 0.19 0.25 -0.87 0.00 0.00 176.83 177.37 2vak h LEU 227 N 0.00 0.29 -0.04 5.97 5.85 -1.19 -1.50 115.31 124.69 2vak h LEU 227 Ca -0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2vak h LEU 227 Cb 1.78 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 2vak h LEU 227 CO 0.12 0.22 0.00 -0.25 -0.34 0.00 0.00 178.44 178.19 2vak h TRP 228 N 0.38 0.07 -0.63 1.25 7.01 -1.36 -2.67 115.95 120.00 2vak h TRP 228 Ca 0.14 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.13 2vak h TRP 228 Cb 0.02 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 2vak h TRP 228 CO -0.08 0.34 0.41 1.25 -2.79 0.00 0.00 178.44 177.57 2vak h LEU 229 N -0.21 0.70 -0.34 0.65 5.85 -0.83 0.18 115.31 121.30 2vak h LEU 229 Ca 0.01 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 2vak h LEU 229 Cb 0.31 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2vak h LEU 229 CO 0.00 0.51 -0.82 -0.07 -0.34 0.00 0.00 178.44 177.71 2vak h LEU 230 N 0.83 0.33 0.20 2.25 3.38 -1.32 -1.51 115.31 119.46 2vak h LEU 230 Ca 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2vak h LEU 230 Cb -0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2vak h LEU 230 CO -0.05 1.01 -0.10 0.28 0.09 0.00 0.00 178.44 179.67 2vak h SER 231 N 0.16 -0.23 -0.96 -0.43 0.02 -1.06 -0.49 113.55 110.57 2vak h SER 231 Ca -0.04 -0.15 0.20 0.00 -0.84 0.00 0.00 61.79 60.96 2vak h SER 231 Cb 1.42 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.94 2vak h SER 231 CO 0.13 0.02 0.61 0.22 -1.14 0.00 0.00 176.83 176.67 2vak h TYR 232 N -0.48 0.78 -0.05 3.45 3.20 -0.58 0.14 116.97 123.44 2vak h TYR 232 Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2vak h TYR 232 Cb 0.36 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2vak h TYR 232 CO -0.00 0.19 0.00 0.44 -1.64 0.00 0.00 178.16 177.15 2vak n ILE 233 N -4.62 0.05 -0.52 1.81 -5.35 -0.58 -4.64 119.36 105.52 2vak n ILE 233 Ca 0.21 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 2vak n ILE 233 Cb 0.64 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 1.11 1.48 0.22 3.28 0.00 0.49 -3.92 105.19 107.85 2vak n GLY 234 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 2vak n GLY 234 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2vak h VAL 235 N 0.00 1.30 -3.03 1.61 2.07 -1.46 -3.41 116.25 113.32 2vak h VAL 235 Ca 0.00 -1.64 -0.62 0.00 0.82 0.00 0.00 66.70 65.26 2vak h VAL 235 Cb 0.00 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 2vak h VAL 235 CO 0.00 0.53 -0.44 -0.69 0.02 0.00 0.00 177.57 176.98 2vak s VAL 236 N -4.15 5.40 0.00 2.57 1.01 -0.31 -4.87 120.40 120.06 2vak s VAL 236 Ca -0.12 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2vak s VAL 236 Cb 0.09 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2vak s VAL 236 CO 0.86 0.51 0.00 -0.46 0.00 0.00 0.00 175.10 176.00 2vak n ASN 237 N 2.86 0.00 0.25 3.32 0.23 -0.15 -3.67 115.26 118.10 2vak n ASN 237 Ca -0.17 -0.59 0.10 0.00 -0.53 0.00 0.00 54.58 53.39 2vak n ASN 237 Cb 0.53 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.86 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 0.00 -0.44 -3.83 4.15 -1.95 -1.90 115.11 111.13 2vak h GLN 238 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2vak h GLN 238 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2vak h GLN 238 CO 0.00 0.16 0.00 0.25 -1.93 0.00 0.00 178.83 177.31 2vak n THR 239 N -3.85 0.57 -3.17 2.39 -2.24 -1.26 -4.74 114.28 101.98 2vak n THR 239 Ca -0.02 -0.72 0.01 0.00 -2.27 0.00 0.00 64.05 61.06 2vak n THR 239 Cb 0.26 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 2vak n THR 239 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2vak s ASN 240 N -1.33 -1.46 0.38 3.42 2.47 -0.72 -3.85 114.94 113.85 2vak s ASN 240 Ca 0.39 -0.63 0.08 0.00 0.42 0.00 0.00 52.86 53.12 2vak s ASN 240 Cb 0.22 1.87 -0.04 0.00 -1.45 0.00 0.00 41.25 41.85 2vak s ASN 240 CO 0.30 -0.17 0.24 0.42 -3.72 0.00 0.00 177.10 174.17 2vak s THR 241 N 1.97 2.75 -0.34 -5.21 -4.23 0.71 -0.98 115.64 110.31 2vak s THR 241 Ca 0.15 -1.55 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2vak s THR 241 Cb -0.04 -3.01 0.05 0.00 1.34 0.00 0.00 72.50 70.83 2vak s THR 241 CO -0.10 -0.07 0.09 -0.63 -0.54 0.00 0.00 174.62 173.37 2vak s ILE 242 N -2.48 3.62 -1.25 2.99 1.01 -0.80 -0.26 121.20 124.03 2vak s ILE 242 Ca 0.42 -1.23 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 2vak s ILE 242 Cb -0.01 -3.07 0.05 0.00 0.01 0.00 0.00 42.46 39.43 2vak s ILE 242 CO 0.25 -0.19 0.39 -1.20 0.00 0.00 0.00 174.94 174.19 2vak n SER 243 N 4.77 -3.96 0.00 3.58 7.64 -1.26 -1.47 113.62 122.92 2vak n SER 243 Ca -0.12 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.51 2vak n SER 243 Cb 0.44 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 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 -1.12 3.25 3.86 0.23 0.00 -1.26 -4.95 105.19 105.19 2vak n GLY 244 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.39 3.50 0.15 1.61 0.08 -0.54 -0.66 117.98 119.72 2vak s PHE 245 Ca 0.00 1.02 -0.21 0.00 0.12 0.00 0.00 56.93 57.85 2vak s PHE 245 Cb 0.00 -2.36 0.06 0.00 -0.57 0.00 0.00 43.02 40.15 2vak s PHE 245 CO 0.00 0.31 0.55 1.52 -0.10 0.00 0.00 175.22 177.49 2vak s TYR 246 N -1.69 -0.45 -0.08 0.36 1.13 -0.78 -1.91 117.35 113.93 2vak s TYR 246 Ca 0.45 0.23 -0.05 0.00 -1.41 0.00 0.00 57.07 56.28 2vak s TYR 246 Cb -0.13 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 2vak s TYR 246 CO 0.20 -0.80 0.12 -0.06 -2.51 0.00 0.00 175.55 172.50 2vak s PHE 247 N -3.71 3.50 -0.01 -3.49 0.40 -1.26 0.06 117.98 113.45 2vak s PHE 247 Ca 0.01 0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 2vak s PHE 247 Cb -0.00 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 2vak s PHE 247 CO -0.12 0.66 -0.11 0.45 0.70 0.00 0.00 175.22 176.80 2vak s SER 248 N -1.29 1.32 -0.01 1.36 0.15 -0.47 -4.84 113.70 109.92 2vak s SER 248 Ca 0.18 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.65 2vak s SER 248 Cb -0.12 -0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2vak s SER 248 CO 0.08 0.13 -0.07 -0.55 1.20 0.00 0.00 173.24 174.03 2vak s SER 249 N -0.20 0.93 0.14 5.45 0.15 -1.26 -0.30 113.70 118.62 2vak s SER 249 Ca 0.03 -0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 2vak s SER 249 Cb -0.05 -0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 64.02 2vak s SER 249 CO -0.00 0.07 1.46 0.11 1.20 0.00 0.00 173.24 176.07 2vak h LYS 250 N 6.21 0.92 -6.26 5.44 1.57 -1.93 -3.44 116.57 119.09 2vak h LYS 250 Ca -0.32 -0.51 -0.47 0.00 -1.87 0.00 0.00 60.65 57.49 2vak h LYS 250 Cb 1.18 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2vak h LYS 250 CO 0.49 1.16 -0.39 0.95 -0.57 0.00 0.00 179.45 181.10 2vak s THR 251 N -4.34 3.59 -0.19 -0.16 -4.23 -1.26 -5.12 115.64 103.94 2vak s THR 251 Ca -0.11 -1.21 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 2vak s THR 251 Cb 0.11 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.81 2vak s THR 251 CO 0.88 -0.14 0.31 -0.60 -0.54 0.00 0.00 174.62 174.53 2vak s ARG 252 N -4.10 0.24 0.00 3.99 6.06 -1.26 -4.68 118.95 119.20 2vak s ARG 252 Ca 0.44 0.57 0.00 0.00 -2.50 0.00 0.00 55.73 54.25 2vak s ARG 252 Cb -0.07 -0.44 0.00 0.00 0.06 0.00 0.00 34.95 34.50 2vak s ARG 252 CO 0.29 -0.49 0.00 0.41 -2.50 0.00 0.00 175.30 173.01 2vak n GLY 253 N 5.35 1.12 0.78 8.12 0.00 -1.26 -4.44 105.19 114.86 2vak n GLY 253 Ca -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 2vak n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vak n GLN 254 N -1.86 0.10 0.07 1.61 10.64 -1.26 -4.31 117.38 122.37 2vak n GLN 254 Ca 0.00 -0.80 0.01 0.00 -1.83 0.00 0.00 57.00 54.39 2vak n GLN 254 Cb 0.02 0.66 0.35 0.00 -0.86 0.00 0.00 30.24 30.41 2vak n GLN 254 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2vak h ALA 255 N 1.28 1.45 -0.01 2.61 0.00 -1.96 -2.99 119.26 119.64 2vak h ALA 255 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2vak h ALA 255 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2vak h ALA 255 CO 0.08 0.39 -0.23 1.28 0.00 0.00 0.00 179.25 180.77 2vak n LEU 256 N -4.28 1.65 -4.54 0.00 4.77 -1.26 -4.97 117.00 108.38 2vak n LEU 256 Ca 0.00 -0.54 -0.49 0.00 -0.03 0.00 0.00 56.01 54.95 2vak n LEU 256 Cb 0.26 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2vak n LEU 256 CO 0.38 0.29 0.56 0.47 -1.33 0.00 0.00 177.39 177.77 2vak n ASP 257 N -0.05 0.80 -3.42 -1.43 10.43 -1.13 -4.83 116.55 116.92 2vak n ASP 257 Ca 0.13 1.15 0.01 0.00 2.57 0.00 0.00 54.79 58.65 2vak n ASP 257 Cb 0.42 -1.16 -0.03 0.00 1.84 0.00 0.00 41.12 42.18 2vak n ASP 257 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2vak s SER 258 N -0.26 -0.81 -0.23 -2.24 0.15 -1.26 -5.05 113.70 104.00 2vak s SER 258 Ca 0.71 0.98 -0.12 0.00 0.70 0.00 0.00 55.95 58.21 2vak s SER 258 Cb -0.87 1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 65.26 2vak s SER 258 CO 0.55 -0.15 0.24 0.26 1.20 0.00 0.00 173.24 175.33 2vak s TRP 259 N 2.67 3.34 -0.13 3.44 0.52 -1.26 -4.17 118.94 123.36 2vak s TRP 259 Ca -0.01 0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.50 2vak s TRP 259 Cb -0.09 -2.36 -0.00 0.00 -1.15 0.00 0.00 33.47 29.87 2vak s TRP 259 CO -0.18 0.05 -0.19 0.99 0.02 0.00 0.00 176.95 177.64 2vak s THR 260 N 1.13 2.47 -0.01 2.01 2.01 0.59 -1.28 115.64 122.56 2vak s THR 260 Ca 0.12 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 2vak s THR 260 Cb -0.14 -2.00 -0.07 0.00 0.01 0.00 0.00 72.50 70.30 2vak s THR 260 CO 0.06 0.54 1.78 -0.22 -0.69 0.00 0.00 174.62 176.08 2vak s LEU 261 N 0.51 4.37 0.40 4.42 2.96 -0.26 -1.37 118.68 129.71 2vak s LEU 261 Ca -0.12 2.43 0.06 0.00 -0.22 0.00 0.00 54.13 56.28 2vak s LEU 261 Cb -0.17 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 2vak s LEU 261 CO 0.05 -0.97 0.02 -0.36 -1.32 0.00 0.00 176.35 173.77 2vak s PHE 262 N 4.06 2.34 0.00 5.38 0.08 0.11 0.73 117.98 130.67 2vak s PHE 262 Ca 0.79 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 57.08 2vak s PHE 262 Cb -0.38 -1.66 -0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2vak s PHE 262 CO 0.34 0.33 -0.02 -0.47 -0.10 0.00 0.00 175.22 175.31 2vak s TYR 263 N -2.85 0.16 -0.02 0.36 5.04 -1.26 -1.87 117.35 116.92 2vak s TYR 263 Ca 0.32 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.85 2vak s TYR 263 Cb 0.09 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.29 2vak s TYR 263 CO 0.16 -0.03 -0.05 0.99 -1.34 0.00 0.00 175.55 175.27 2vak s THR 264 N -0.31 0.49 -0.06 4.34 2.01 0.17 -5.01 115.64 117.27 2vak s THR 264 Ca -0.02 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 2vak s THR 264 Cb -0.02 -0.45 -0.28 0.00 0.01 0.00 0.00 72.50 71.75 2vak s THR 264 CO -0.00 0.16 0.62 0.74 -0.69 0.00 0.00 174.62 175.45 2vak h THR 265 N 5.39 0.88 -0.00 -0.82 2.02 -1.99 -3.40 112.91 114.99 2vak h THR 265 Ca -0.32 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.33 2vak h THR 265 Cb 1.17 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2vak h THR 265 CO 0.49 0.84 -0.58 -0.46 0.37 0.00 0.00 175.52 176.18 2vak n ASN 266 N -3.49 1.00 -4.95 4.18 6.94 -1.26 -5.02 115.26 112.65 2vak n ASN 266 Ca -0.25 -1.00 -0.20 0.00 -0.02 0.00 0.00 54.58 53.12 2vak n ASN 266 Cb 1.06 0.83 -0.02 0.00 -2.36 0.00 0.00 39.78 39.29 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 -2.24 4.21 0.21 5.53 -4.23 -1.26 -5.04 115.64 112.82 2vak s THR 267 Ca 0.08 -1.09 -0.32 0.00 -1.18 0.00 0.00 61.69 59.17 2vak s THR 267 Cb 0.12 -3.45 -0.14 0.00 1.34 0.00 0.00 72.50 70.37 2vak s THR 267 CO 0.54 -0.20 1.40 -3.20 -0.54 0.00 0.00 174.62 172.62 2vak n ASN 268 N -1.52 2.58 -4.38 3.99 5.15 -1.25 -4.81 115.26 115.03 2vak n ASN 268 Ca -0.03 1.13 -0.33 0.00 -0.60 0.00 0.00 54.58 54.75 2vak n ASN 268 Cb 0.58 -1.39 -0.14 0.00 -0.53 0.00 0.00 39.78 38.30 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 -0.13 3.43 0.69 1.20 0.52 -1.26 -0.21 118.95 123.19 2vak s ARG 269 Ca 0.71 -0.65 -0.15 0.00 -0.52 0.00 0.00 55.73 55.13 2vak s ARG 269 Cb -0.69 -2.76 0.02 0.00 0.52 0.00 0.00 34.95 32.04 2vak s ARG 269 CO 0.48 0.13 1.16 0.14 0.02 0.00 0.00 175.30 177.22 2vak s VAL 270 N 0.60 2.79 -0.54 3.52 -7.23 0.64 -4.91 120.40 115.28 2vak s VAL 270 Ca -0.06 0.38 0.03 0.00 -1.81 0.00 0.00 61.98 60.52 2vak s VAL 270 Cb -0.15 -2.92 0.14 0.00 0.56 0.00 0.00 36.38 34.01 2vak s VAL 270 CO 0.03 -0.22 0.29 -1.10 -0.31 0.00 0.00 175.10 173.79 2vak s GLN 271 N -3.99 2.07 0.09 4.82 -0.21 -1.25 -4.69 119.66 116.51 2vak s GLN 271 Ca 0.71 -2.65 -0.31 0.00 0.02 0.00 0.00 55.36 53.13 2vak s GLN 271 Cb -0.25 -3.37 -0.07 0.00 1.00 0.00 0.00 33.01 30.32 2vak s GLN 271 CO 0.43 -1.12 1.32 0.42 -2.12 0.00 0.00 175.29 174.21 2vak s ILE 272 N -0.32 3.58 -0.01 1.08 1.01 -1.25 -4.53 121.20 120.77 2vak s ILE 272 Ca 0.17 1.13 0.01 0.00 0.00 0.00 0.00 60.65 61.97 2vak s ILE 272 Cb -0.25 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2vak s ILE 272 CO -0.01 0.09 0.01 0.41 0.00 0.00 0.00 174.94 175.44 2vak n THR 273 N 3.95 0.07 -4.57 2.92 -1.04 -0.74 -4.06 114.28 110.81 2vak n THR 273 Ca 0.11 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.79 2vak n THR 273 Cb 0.44 -0.74 -0.08 0.00 -1.82 0.00 0.00 70.33 68.13 2vak n THR 273 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vak s GLN 274 N -2.04 2.02 0.18 -2.82 -2.07 -1.24 -4.82 119.66 108.88 2vak s GLN 274 Ca -0.01 -2.26 -0.29 0.00 -1.82 0.00 0.00 55.36 50.98 2vak s GLN 274 Cb 0.00 -0.75 -0.08 0.00 -1.09 0.00 0.00 33.01 31.10 2vak s GLN 274 CO 0.05 -0.50 0.92 0.50 -1.32 0.00 0.00 175.29 174.94 2vak s ARG 275 N -3.71 4.76 -0.02 9.60 3.52 -1.26 -3.95 118.95 127.89 2vak s ARG 275 Ca 0.19 1.42 0.04 0.00 -0.13 0.00 0.00 55.73 57.24 2vak s ARG 275 Cb 0.01 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 2vak s ARG 275 CO 0.12 0.42 -0.13 -1.01 -0.81 0.00 0.00 175.30 173.89 2vak s HIS 276 N -0.76 1.26 -0.05 5.12 3.76 0.12 -3.99 115.29 120.75 2vak s HIS 276 Ca 0.42 -0.29 -0.04 0.00 -0.15 0.00 0.00 55.06 55.01 2vak s HIS 276 Cb -0.25 -0.84 0.02 0.00 1.11 0.00 0.00 32.58 32.62 2vak s HIS 276 CO 0.30 -0.07 0.13 0.12 -0.85 0.00 0.00 174.74 174.37 2vak s PHE 277 N -0.12 -0.14 0.03 1.40 5.36 -1.25 -0.71 117.98 122.54 2vak s PHE 277 Ca 0.01 0.38 -0.00 0.00 -0.96 0.00 0.00 56.93 56.36 2vak s PHE 277 Cb -0.07 -0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.57 2vak s PHE 277 CO 0.00 -0.11 -0.03 0.00 -1.46 0.00 0.00 175.22 173.63 2vak s ALA 278 N 0.53 0.22 -0.22 11.12 0.00 0.52 -4.93 121.76 129.00 2vak s ALA 278 Ca -0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2vak s ALA 278 Cb -0.05 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2vak s ALA 278 CO -0.02 -0.22 0.34 0.71 0.00 0.00 0.00 175.76 176.57 2vak s TYR 279 N -2.12 3.34 -0.09 0.00 2.02 -1.26 -0.12 117.35 119.12 2vak s TYR 279 Ca -0.10 0.49 0.02 0.00 -0.37 0.00 0.00 57.07 57.11 2vak s TYR 279 Cb -0.05 -2.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.05 2vak s TYR 279 CO -0.03 -0.03 -0.13 0.08 -1.57 0.00 0.00 175.55 173.87 2vak s VAL 280 N 1.38 1.30 0.29 0.71 1.01 -0.70 -0.96 120.40 123.43 2vak s VAL 280 Ca 0.16 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.70 2vak s VAL 280 Cb -0.15 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2vak s VAL 280 CO 0.07 0.40 0.00 0.00 0.00 0.00 0.00 175.10 175.58 2vak s ALA 282 N -2.38 3.54 -0.11 0.00 0.00 -1.11 -0.41 121.76 121.30 2vak s ALA 282 Ca 0.33 -0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 2vak s ALA 282 Cb -0.05 -3.09 -0.24 0.00 0.00 0.00 0.00 23.12 19.74 2vak s ALA 282 CO 0.20 -0.63 0.90 -0.09 0.00 0.00 0.00 175.76 176.14 2vak h ARG 283 N 7.46 -0.00 -6.78 0.00 2.43 -1.13 0.31 114.38 116.66 2vak h ARG 283 Ca -0.30 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.39 2vak h ARG 283 Cb 1.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2vak h ARG 283 CO 0.80 0.85 0.19 -1.54 -1.51 0.00 0.00 179.97 178.77 2vak s SER 284 N -6.07 6.98 0.06 -3.80 1.04 -1.22 -4.22 113.70 106.47 2vak s SER 284 Ca -0.18 1.50 0.15 0.00 0.48 0.00 0.00 55.95 57.90 2vak s SER 284 Cb -0.02 -2.46 0.64 0.00 0.10 0.00 0.00 66.02 64.29 2vak s SER 284 CO 0.68 -0.15 1.47 -2.65 0.98 0.00 0.00 173.24 173.56 2vak n PRO 285 N 0.02 0.04 0.00 4.02 -0.02 -1.26 -2.45 135.00 135.35 2vak n PRO 285 Ca 0.02 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.92 2vak n PRO 285 Cb 0.52 -1.59 0.58 0.00 -0.02 0.00 0.00 33.50 33.00 2vak n PRO 285 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2vak n ASP 286 N -1.66 0.00 0.04 2.55 5.68 -1.26 -2.29 116.55 119.61 2vak n ASP 286 Ca 0.03 -0.72 0.21 0.00 -0.50 0.00 0.00 54.79 53.80 2vak n ASP 286 Cb 0.16 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 40.87 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 0.00 0.00 2.11 5.08 -1.87 -2.29 115.95 118.99 2vak h TRP 287 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 2vak h TRP 287 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2vak h TRP 287 CO 0.00 0.00 -0.10 -0.91 -1.28 0.00 0.00 178.44 176.15 2vak h ASN 288 N 0.00 0.00 0.04 0.11 2.35 -1.75 -1.83 115.58 114.50 2vak h ASN 288 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2vak h ASN 288 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2vak h ASN 288 CO -0.00 0.10 -1.32 0.55 -1.65 0.00 0.00 177.43 175.11 2vak n VAL 289 N -3.72 0.01 -2.76 2.81 3.14 -0.87 -0.62 118.33 116.33 2vak n VAL 289 Ca -0.02 -0.18 -0.42 0.00 -2.96 0.00 0.00 64.34 60.76 2vak n VAL 289 Cb 0.21 0.61 -0.04 0.00 -1.06 0.00 0.00 33.84 33.56 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 -3.56 6.25 0.27 6.55 -1.08 -0.69 -4.87 116.67 119.55 2vak s ASP 290 Ca 0.03 -0.55 0.05 0.00 -0.52 0.00 0.00 52.55 51.56 2vak s ASP 290 Cb 0.15 -2.47 0.38 0.00 -1.46 0.00 0.00 42.92 39.53 2vak s ASP 290 CO 0.88 -1.46 1.66 0.11 0.52 0.00 0.00 175.17 176.88 2vak h LYS 291 N 9.58 0.30 -0.10 4.34 1.57 -1.90 -2.63 116.57 127.71 2vak h LYS 291 Ca -0.27 -0.15 -0.23 0.00 -1.87 0.00 0.00 60.65 58.13 2vak h LYS 291 Cb 1.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.39 2vak h LYS 291 CO 1.17 0.68 -0.82 0.77 -0.57 0.00 0.00 179.45 180.68 2vak h SER 292 N 0.24 0.90 -0.15 0.86 0.02 -1.96 -1.97 113.55 111.48 2vak h SER 292 Ca 0.02 -0.66 -0.02 0.00 -0.84 0.00 0.00 61.79 60.28 2vak h SER 292 Cb 0.87 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2vak h SER 292 CO 0.07 1.43 0.03 -0.25 -1.14 0.00 0.00 176.83 176.97 2vak h TRP 293 N 0.44 0.33 0.07 3.45 2.91 -1.90 -1.22 115.95 120.03 2vak h TRP 293 Ca -0.07 -0.01 -0.25 0.00 1.13 0.00 0.00 58.89 59.69 2vak h TRP 293 Cb 1.46 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 30.01 2vak h TRP 293 CO 0.10 0.32 -1.08 0.82 -1.03 0.00 0.00 178.44 177.56 2vak h ILE 294 N 0.33 1.46 -0.28 2.65 2.04 -1.45 -1.91 117.51 120.34 2vak h ILE 294 Ca 0.08 -2.77 -0.01 0.00 1.00 0.00 0.00 64.86 63.15 2vak h ILE 294 Cb 0.17 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2vak h ILE 294 CO -0.00 0.82 0.13 0.00 0.00 0.00 0.00 178.15 179.09 2vak h ALA 295 N 0.69 0.36 -0.47 1.87 0.00 -0.99 -1.88 119.26 118.84 2vak h ALA 295 Ca -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2vak h ALA 295 Cb 1.77 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2vak h ALA 295 CO 0.18 -0.07 0.16 0.00 0.00 0.00 0.00 179.25 179.52 2vak h ALA 296 N 0.98 1.41 -0.02 0.00 0.00 -1.22 -1.28 119.26 119.14 2vak h ALA 296 Ca 0.10 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2vak h ALA 296 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2vak h ALA 296 CO -0.01 0.44 -0.65 0.00 0.00 0.00 0.00 179.25 179.03 2vak h ALA 297 N 1.51 0.89 -0.15 0.00 0.00 -1.24 -1.40 119.26 118.87 2vak h ALA 297 Ca 0.16 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2vak h ALA 297 Cb 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2vak h ALA 297 CO -0.01 0.79 -0.14 -0.91 0.00 0.00 0.00 179.25 178.98 2vak h ASN 298 N 0.05 0.39 -0.95 0.00 2.35 -0.79 -2.79 115.58 113.83 2vak h ASN 298 Ca -0.01 -0.47 0.03 0.00 -0.55 0.00 0.00 56.30 55.30 2vak h ASN 298 Cb 1.15 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.36 2vak h ASN 298 CO 0.09 0.78 0.62 -0.07 -1.65 0.00 0.00 177.43 177.20 2vak h LEU 299 N 0.00 1.03 -0.74 1.61 3.38 -1.17 -2.94 115.31 116.50 2vak h LEU 299 Ca 0.03 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2vak h LEU 299 Cb 0.67 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 2vak h LEU 299 CO 0.04 0.71 0.36 0.74 0.09 0.00 0.00 178.44 180.37 2vak h THR 300 N 1.20 0.81 -0.40 0.22 2.02 -1.23 0.15 112.91 115.69 2vak h THR 300 Ca 0.38 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 2vak h THR 300 Cb 0.00 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 2vak h THR 300 CO -0.11 0.11 -0.04 0.00 0.37 0.00 0.00 175.52 175.84 2vak h ALA 301 N 1.46 1.19 -0.15 6.16 0.00 -1.32 0.14 119.26 126.75 2vak h ALA 301 Ca 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2vak h ALA 301 Cb 0.44 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2vak h ALA 301 CO -0.30 0.53 -0.07 0.82 0.00 0.00 0.00 179.25 180.23 2vak h ILE 302 N 0.61 1.31 -0.61 0.00 2.04 -1.16 -1.95 117.51 117.75 2vak h ILE 302 Ca 0.12 -1.11 0.05 0.00 1.00 0.00 0.00 64.86 64.92 2vak h ILE 302 Cb 0.45 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2vak h ILE 302 CO 0.02 0.32 0.34 0.58 0.00 0.00 0.00 178.15 179.42 2vak h VAL 303 N -0.03 0.99 0.00 1.67 2.07 -0.41 -2.74 116.25 117.80 2vak h VAL 303 Ca 0.03 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2vak h VAL 303 Cb 0.54 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2vak h VAL 303 CO 0.02 0.12 -0.16 0.24 0.02 0.00 0.00 177.57 177.81 2vak h MET 304 N 0.65 0.00 0.00 1.57 2.86 -0.76 -3.28 114.93 115.98 2vak h MET 304 Ca 0.27 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.81 2vak h MET 304 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2vak h MET 304 CO -0.16 0.16 -0.47 0.00 1.06 0.00 0.00 176.91 177.50 2vak h ALA 305 N 1.84 1.06 0.00 6.32 0.00 -1.03 -3.19 119.26 124.26 2vak h ALA 305 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2vak h ALA 305 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2vak h ALA 305 CO 0.02 0.58 -0.40 0.00 0.00 0.00 0.00 179.25 179.45 2vak s ARG 307 N -3.18 1.91 -0.51 0.00 1.70 -1.21 -1.84 118.95 115.83 2vak s ARG 307 Ca 0.07 -2.13 -0.20 0.00 -0.47 0.00 0.00 55.73 53.00 2vak s ARG 307 Cb 0.11 -1.21 0.05 0.00 -0.57 0.00 0.00 34.95 33.34 2vak s ARG 307 CO 0.69 -0.23 0.68 -0.65 -1.08 0.00 0.00 175.30 174.71 2vak s GLN 308 N -3.80 3.17 0.76 3.89 -1.52 0.45 -4.08 119.66 118.53 2vak s GLN 308 Ca 0.27 -0.73 -0.06 0.00 -1.95 0.00 0.00 55.36 52.89 2vak s GLN 308 Cb 0.07 -4.08 0.11 0.00 -0.22 0.00 0.00 33.01 28.89 2vak s GLN 308 CO 0.13 -1.25 1.06 -1.25 -0.25 0.00 0.00 175.29 173.73 2vak s PRO 309 N 2.89 1.69 0.27 2.91 0.04 -1.26 -4.75 135.00 136.78 2vak s PRO 309 Ca 0.18 -0.61 -0.29 0.00 0.04 0.00 0.00 61.00 60.33 2vak s PRO 309 Cb -0.18 -2.17 -0.14 0.00 0.04 0.00 0.00 34.50 32.05 2vak s PRO 309 CO 0.14 -1.55 1.00 -2.30 0.04 0.00 0.00 177.00 174.33 2vak n PRO 310 N -3.05 1.24 -2.71 0.56 -0.02 -1.26 -4.92 135.00 124.84 2vak n PRO 310 Ca 0.12 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2vak n PRO 310 Cb 0.60 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 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 -0.94 4.81 0.42 -1.45 1.01 -1.26 -4.93 120.40 118.05 2vak s VAL 311 Ca 0.61 2.01 -0.26 0.00 0.00 0.00 0.00 61.98 64.33 2vak s VAL 311 Cb -0.73 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.26 2vak s VAL 311 CO 0.59 0.03 1.41 -0.36 0.00 0.00 0.00 175.10 176.77 2vak s PHE 312 N 1.87 2.59 0.18 5.22 0.08 0.65 -0.25 117.98 128.32 2vak s PHE 312 Ca 0.48 1.28 -0.32 0.00 0.12 0.00 0.00 56.93 58.49 2vak s PHE 312 Cb -0.18 -3.88 -0.11 0.00 -0.57 0.00 0.00 43.02 38.27 2vak s PHE 312 CO 0.19 -2.73 1.72 0.00 -0.10 0.00 0.00 175.22 174.30 2vak s ALA 313 N -1.19 3.87 0.38 5.36 0.00 0.44 -0.10 121.76 130.52 2vak s ALA 313 Ca 0.57 1.51 0.19 0.00 0.00 0.00 0.00 51.96 54.23 2vak s ALA 313 Cb -0.43 -3.70 1.14 0.00 0.00 0.00 0.00 23.12 20.14 2vak s ALA 313 CO 0.56 -0.97 1.71 -0.91 0.00 0.00 0.00 175.76 176.15 2vak h ASN 314 N 7.23 0.45 0.19 0.00 2.35 -1.27 0.35 115.58 124.89 2vak h ASN 314 Ca -0.44 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 2vak h ASN 314 Cb 1.20 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 2vak h ASN 314 CO 0.95 -0.03 -0.15 -0.61 -1.65 0.00 0.00 177.43 175.94 2vak h GLN 315 N 0.33 0.00 -0.01 0.81 4.15 -1.90 -2.63 115.11 115.86 2vak h GLN 315 Ca 0.69 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.11 2vak h GLN 315 Cb 1.75 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.44 2vak h GLN 315 CO -0.42 0.15 -0.06 0.41 -1.93 0.00 0.00 178.83 176.97 2vak n GLY 316 N -1.00 -0.72 3.53 2.39 0.00 0.11 -4.88 105.19 104.61 2vak n GLY 316 Ca -0.02 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.24 1.83 0.72 1.61 -7.23 -0.99 -4.50 120.40 109.59 2vak s VAL 317 Ca 0.36 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 2vak s VAL 317 Cb 0.21 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.42 2vak s VAL 317 CO 0.42 -0.12 1.07 0.27 -0.31 0.00 0.00 175.10 176.43 2vak s ILE 318 N -2.86 3.80 0.23 -0.62 -4.36 0.37 -4.86 121.20 112.90 2vak s ILE 318 Ca 0.33 0.59 -0.06 0.00 -0.26 0.00 0.00 60.65 61.25 2vak s ILE 318 Cb 0.06 -3.25 0.21 0.00 1.25 0.00 0.00 42.46 40.73 2vak s ILE 318 CO 0.16 -0.76 1.71 0.78 0.24 0.00 0.00 174.94 177.06 2vak h ASN 319 N -0.85 0.12 0.55 4.36 4.21 -1.91 -1.14 115.58 120.92 2vak h ASN 319 Ca -0.44 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.19 2vak h ASN 319 Cb 1.22 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.56 2vak h ASN 319 CO 0.55 0.04 0.00 0.00 -1.29 0.00 0.00 177.43 176.73 2vak n GLN 320 N -5.08 0.08 0.00 0.81 3.00 -1.26 -2.36 117.38 112.56 2vak n GLN 320 Ca 0.13 0.34 0.12 0.00 -0.01 0.00 0.00 57.00 57.57 2vak n GLN 320 Cb 0.40 -1.65 0.06 0.00 0.00 0.00 0.00 30.24 29.05 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 -1.61 3.16 -1.76 -1.58 0.00 -0.44 -4.92 120.51 113.36 2vak n ALA 321 Ca 0.03 -0.65 -0.34 0.00 0.00 0.00 0.00 53.44 52.48 2vak n ALA 321 Cb 0.18 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.31 3.49 -1.53 0.00 -0.21 -0.99 -3.95 119.66 114.15 2vak s GLN 322 Ca 0.22 1.48 -0.03 0.00 0.02 0.00 0.00 55.36 57.05 2vak s GLN 322 Cb 0.19 -2.04 0.01 0.00 1.00 0.00 0.00 33.01 32.17 2vak s GLN 322 CO 0.48 -0.71 0.29 0.09 -2.12 0.00 0.00 175.29 173.31 2vak n ASN 323 N -1.29 -5.43 -4.62 5.90 3.02 -1.25 -4.95 115.26 106.63 2vak n ASN 323 Ca 0.10 -0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 2vak n ASN 323 Cb 0.52 -4.47 -0.04 0.00 -0.61 0.00 0.00 39.78 35.17 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 -5.41 3.99 -0.24 3.52 6.06 -1.20 -4.94 118.95 120.73 2vak s ARG 324 Ca 0.16 0.69 -0.37 0.00 -2.50 0.00 0.00 55.73 53.71 2vak s ARG 324 Cb -0.08 -3.73 -0.13 0.00 0.06 0.00 0.00 34.95 31.08 2vak s ARG 324 CO 0.20 -0.71 1.90 -2.30 -2.50 0.00 0.00 175.30 171.89 2vak n PRO 325 N 6.31 1.48 -0.07 5.12 -0.02 -1.26 -0.95 135.00 145.60 2vak n PRO 325 Ca 0.05 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2vak n PRO 325 Cb 0.48 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2vak n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vak n GLY 326 N 4.83 0.86 0.84 -1.23 0.00 -1.26 -4.84 105.19 104.39 2vak n GLY 326 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -4.09 1.61 7.35 -0.12 -4.70 117.46 115.51 2vak n PHE 327 Ca 0.00 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.55 2vak n PHE 327 Cb 0.00 -0.01 -0.13 0.00 0.35 0.00 0.00 39.48 39.69 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 -4.88 0.63 0.09 -2.13 1.04 -0.44 -0.25 113.70 107.76 2vak s SER 328 Ca -0.00 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.00 2vak s SER 328 Cb 0.00 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.13 2vak s SER 328 CO 0.01 -0.06 0.35 0.00 0.98 0.00 0.00 173.24 174.51 2vak s MET 329 N -0.72 0.96 0.10 4.02 0.23 0.86 -3.27 119.30 121.49 2vak s MET 329 Ca -0.04 -0.67 -0.31 0.00 -1.03 0.00 0.00 55.69 53.64 2vak s MET 329 Cb -0.05 0.42 -0.09 0.00 -1.53 0.00 0.00 34.83 33.58 2vak s MET 329 CO -0.00 -0.35 1.60 -0.80 -2.03 0.00 0.00 175.02 173.44 2vak s ASN 330 N -2.58 6.62 -0.41 -1.18 0.01 -1.26 -0.75 114.94 115.40 2vak s ASN 330 Ca 0.01 2.50 0.00 0.00 -0.71 0.00 0.00 52.86 54.66 2vak s ASN 330 Cb 0.02 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2vak s ASN 330 CO -0.09 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.27 2vak n GLY 331 N 3.86 0.37 0.76 0.66 0.00 -1.26 -4.96 105.19 104.62 2vak n GLY 331 Ca 0.15 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 2vak n GLY 331 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vak n GLY 332 N -1.50 -0.61 3.71 -0.02 0.00 -1.14 -4.94 105.19 100.69 2vak n GLY 332 Ca -0.05 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2vak n GLY 332 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vak s THR 333 N -1.22 3.19 0.50 2.61 2.01 0.66 -4.00 115.64 119.38 2vak s THR 333 Ca 0.14 0.82 -0.20 0.00 0.31 0.00 0.00 61.69 62.77 2vak s THR 333 Cb -0.00 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 2vak s THR 333 CO 0.10 0.05 1.03 -2.16 -0.69 0.00 0.00 174.62 172.95 2vak s PRO 334 N 1.35 3.77 -0.43 4.92 0.04 -1.26 0.16 135.00 143.56 2vak s PRO 334 Ca 0.66 1.31 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 2vak s PRO 334 Cb -0.38 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.10 2vak s PRO 334 CO 0.30 -0.45 0.39 0.08 0.04 0.00 0.00 177.00 177.36 2vak s VAL 335 N -2.08 5.16 0.67 -0.36 1.01 -1.26 -4.18 120.40 119.37 2vak s VAL 335 Ca 0.66 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2vak s VAL 335 Cb -0.15 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 2vak s VAL 335 CO 0.22 -0.43 1.06 -1.00 0.00 0.00 0.00 175.10 174.95 2vak s HIS 336 N 1.91 3.06 0.02 5.22 3.76 -0.14 -4.89 115.29 124.24 2vak s HIS 336 Ca 0.08 1.45 0.03 0.00 -0.15 0.00 0.00 55.06 56.47 2vak s HIS 336 Cb -0.19 -2.92 -0.02 0.00 1.11 0.00 0.00 32.58 30.56 2vak s HIS 336 CO 0.11 -1.21 -0.09 -1.83 -0.85 0.00 0.00 174.74 170.87 2vak s GLU 337 N -4.77 0.63 -0.12 1.40 -1.05 -1.26 0.37 118.70 113.90 2vak s GLU 337 Ca 0.60 -0.55 0.03 0.00 -0.15 0.00 0.00 54.97 54.89 2vak s GLU 337 Cb -0.15 -0.54 0.01 0.00 -0.44 0.00 0.00 34.13 33.01 2vak s GLU 337 CO 0.50 0.13 -0.20 -0.51 0.95 0.00 0.00 175.26 176.13 2vak s LEU 338 N -0.91 1.97 -0.01 1.83 1.43 0.45 -3.85 118.68 119.59 2vak s LEU 338 Ca -0.02 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 2vak s LEU 338 Cb -0.06 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2vak s LEU 338 CO 0.00 0.08 0.97 0.21 0.23 0.00 0.00 176.35 177.85 2vak s ASN 339 N 0.74 7.35 0.15 2.29 3.84 -1.26 -0.50 114.94 127.56 2vak s ASN 339 Ca -0.10 1.64 -0.03 0.00 0.21 0.00 0.00 52.86 54.58 2vak s ASN 339 Cb -0.16 -2.57 -0.01 0.00 -0.55 0.00 0.00 41.25 37.96 2vak s ASN 339 CO 0.01 -0.27 1.38 -0.07 -2.79 0.00 0.00 177.10 175.36 2vak h LEU 340 N 6.86 0.53 -0.31 3.21 3.38 -1.94 -1.89 115.31 125.15 2vak h LEU 340 Ca -0.40 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.14 2vak h LEU 340 Cb 1.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2vak h LEU 340 CO 0.76 1.14 0.02 0.25 0.09 0.00 0.00 178.44 180.70 2vak h LEU 341 N 0.28 0.52 -1.36 1.67 5.85 -1.97 -1.37 115.31 118.94 2vak h LEU 341 Ca -0.05 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.40 2vak h LEU 341 Cb 1.41 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 2vak h LEU 341 CO 0.14 0.69 0.45 0.74 -0.34 0.00 0.00 178.44 180.12 2vak h THR 342 N 0.34 1.12 -0.07 1.05 2.02 -1.95 -1.81 112.91 113.61 2vak h THR 342 Ca 0.09 -0.29 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 2vak h THR 342 Cb 0.41 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2vak h THR 342 CO 0.01 0.16 -0.66 0.74 0.37 0.00 0.00 175.52 176.14 2vak h THR 343 N 0.85 1.39 -0.15 3.16 2.02 -1.18 -2.47 112.91 116.55 2vak h THR 343 Ca 0.27 -2.07 -0.15 0.00 0.77 0.00 0.00 66.41 65.23 2vak h THR 343 Cb 0.01 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2vak h THR 343 CO -0.07 0.61 -0.54 0.00 0.37 0.00 0.00 175.52 175.89 2vak h ALA 344 N 1.09 0.79 -0.14 6.16 0.00 -0.83 0.43 119.26 126.76 2vak h ALA 344 Ca -0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 2vak h ALA 344 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2vak h ALA 344 CO 0.11 0.69 -0.50 1.96 0.00 0.00 0.00 179.25 181.50 2vak h GLN 345 N 0.34 0.37 0.18 0.00 4.20 -1.29 -2.39 115.11 116.51 2vak h GLN 345 Ca 0.01 -0.22 -0.30 0.00 0.06 0.00 0.00 58.65 58.20 2vak h GLN 345 Cb 1.06 0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.87 2vak h GLN 345 CO 0.10 0.79 -1.35 0.93 -0.67 0.00 0.00 178.83 178.62 2vak h GLU 346 N 0.30 0.37 0.34 1.46 4.39 -1.27 -2.61 114.58 117.56 2vak h GLU 346 Ca 0.01 -0.64 -0.01 0.00 0.34 0.00 0.00 59.36 59.07 2vak h GLU 346 Cb 0.99 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2vak h GLU 346 CO 0.08 1.30 -0.27 0.00 -1.16 0.00 0.00 179.01 178.97 2vak h ILE 348 N -0.61 0.21 -0.41 0.00 2.04 -1.51 -0.45 117.51 116.78 2vak h ILE 348 Ca -0.03 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 2vak h ILE 348 Cb 0.53 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2vak h ILE 348 CO -0.01 0.02 -0.07 -0.09 0.00 0.00 0.00 178.15 178.00 2vak h ARG 349 N 0.09 0.77 -0.77 2.37 2.43 -1.04 -1.34 114.38 116.89 2vak h ARG 349 Ca 0.52 -0.28 0.10 0.00 -0.81 0.00 0.00 59.98 59.51 2vak h ARG 349 Cb 1.01 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.43 2vak h ARG 349 CO -0.76 0.88 0.40 1.96 -1.51 0.00 0.00 179.97 180.94 2vak h GLN 350 N 0.59 0.63 -0.52 0.20 1.08 -0.37 -0.43 115.11 116.29 2vak h GLN 350 Ca 0.11 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2vak h GLN 350 Cb 0.58 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2vak h GLN 350 CO 0.03 0.42 0.22 -1.49 -0.95 0.00 0.00 178.83 177.06 2vak h TRP 351 N 0.65 0.78 0.48 2.96 6.55 -0.52 -2.43 115.95 124.43 2vak h TRP 351 Ca 0.38 -0.05 -0.02 0.00 0.95 0.00 0.00 58.89 60.15 2vak h TRP 351 Cb 0.43 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 2vak h TRP 351 CO -0.09 0.64 -0.23 0.28 -1.05 0.00 0.00 178.44 177.98 2vak h VAL 352 N 0.70 0.53 0.00 1.49 2.07 -0.87 -0.84 116.25 119.33 2vak h VAL 352 Ca 0.18 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2vak h VAL 352 Cb 0.17 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2vak h VAL 352 CO -0.02 0.02 0.32 0.24 0.02 0.00 0.00 177.57 178.15 2vak h MET 353 N -0.70 0.00 -0.01 1.57 2.86 -1.05 0.52 114.93 118.11 2vak h MET 353 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2vak h MET 353 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2vak h MET 353 CO 0.11 0.00 -0.32 0.00 1.06 0.00 0.00 176.91 177.76 2vak n ALA 354 N -1.88 3.22 -0.99 6.32 0.00 -0.65 -4.92 120.51 121.60 2vak n ALA 354 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2vak n ALA 354 Cb 0.37 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.36 0.49 0.12 0.00 0.00 0.17 -4.92 105.19 102.42 2vak n GLY 355 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 0.11 -8.47 0.99 3.38 -1.38 -3.43 115.31 106.51 2vak h LEU 356 Ca 0.00 -0.08 -0.38 0.00 0.09 0.00 0.00 57.88 57.50 2vak h LEU 356 Cb 0.13 -0.03 -0.19 0.00 0.09 0.00 0.00 40.66 40.65 2vak h LEU 356 CO 0.00 0.85 -0.76 0.68 0.09 0.00 0.00 178.44 179.30 2vak s VAL 357 N -3.31 1.11 0.72 1.22 -7.23 -1.22 -5.00 120.40 106.69 2vak s VAL 357 Ca -0.02 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.52 2vak s VAL 357 Cb 0.11 -1.28 0.03 0.00 0.56 0.00 0.00 36.38 35.80 2vak s VAL 357 CO 0.80 -0.39 1.08 -0.94 -0.31 0.00 0.00 175.10 175.34 2vak s SER 358 N -2.16 4.96 0.45 4.85 1.04 -1.26 -4.32 113.70 117.25 2vak s SER 358 Ca 0.03 1.76 0.14 0.00 0.48 0.00 0.00 55.95 58.36 2vak s SER 358 Cb -0.06 -2.51 1.06 0.00 0.10 0.00 0.00 66.02 64.60 2vak s SER 358 CO 0.02 -1.73 2.02 0.00 0.98 0.00 0.00 173.24 174.53 2vak h ALA 359 N -0.79 2.00 -0.04 5.32 0.00 -1.98 0.66 119.26 124.43 2vak h ALA 359 Ca -0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2vak h ALA 359 Cb 1.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2vak h ALA 359 CO 0.54 -0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 2vak h ALA 360 N 1.75 0.06 -0.76 0.00 0.00 -2.00 -1.52 119.26 116.80 2vak h ALA 360 Ca 0.21 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.96 2vak h ALA 360 Cb 0.39 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 2vak h ALA 360 CO -0.05 -0.13 0.35 -0.22 0.00 0.00 0.00 179.25 179.21 2vak h LYS 361 N -0.37 0.53 -0.31 0.00 1.63 -1.71 -0.67 116.57 115.67 2vak h LYS 361 Ca 0.01 -0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.86 2vak h LYS 361 Cb 0.59 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2vak h LYS 361 CO 0.01 0.35 0.23 0.78 -3.45 0.00 0.00 179.45 177.37 2vak h GLY 362 N 0.54 0.00 0.62 5.01 0.00 -0.80 -1.07 103.07 107.38 2vak h GLY 362 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 2vak h GLY 362 CO -0.35 0.00 -0.01 1.46 0.00 0.00 0.00 176.54 177.64 2vak h GLN 363 N 0.00 0.06 0.35 4.80 1.08 -0.07 -2.95 115.11 118.39 2vak h GLN 363 Ca 0.15 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2vak h GLN 363 Cb 0.60 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2vak h GLN 363 CO -0.00 0.45 -0.33 0.00 -0.95 0.00 0.00 178.83 178.00 2vak h ALA 364 N 0.61 -0.72 -0.40 3.87 0.00 -0.93 -0.84 119.26 120.86 2vak h ALA 364 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2vak h ALA 364 Cb 0.43 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2vak h ALA 364 CO 0.00 -0.94 0.20 -0.07 0.00 0.00 0.00 179.25 178.45 2vak h LEU 365 N -0.70 0.30 -0.56 0.00 3.38 -1.33 -0.58 115.31 115.82 2vak h LEU 365 Ca -0.02 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2vak h LEU 365 Cb 0.63 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2vak h LEU 365 CO -0.05 0.22 0.30 0.74 0.09 0.00 0.00 178.44 179.73 2vak h THR 366 N 0.41 0.97 -0.57 0.22 2.02 -1.42 -1.35 112.91 113.19 2vak h THR 366 Ca 0.17 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.18 2vak h THR 366 Cb 0.07 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2vak h THR 366 CO -0.11 0.10 0.34 -0.61 0.37 0.00 0.00 175.52 175.62 2vak h GLN 367 N 0.57 0.66 -0.26 6.66 5.75 -0.49 -0.00 115.11 128.00 2vak h GLN 367 Ca 0.25 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 2vak h GLN 367 Cb 0.14 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2vak h GLN 367 CO -0.16 0.44 -0.09 0.93 -2.65 0.00 0.00 178.83 177.29 2vak h GLU 368 N 0.68 0.42 -0.01 1.69 5.08 -0.82 -0.26 114.58 121.36 2vak h GLU 368 Ca 0.23 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2vak h GLU 368 Cb 0.02 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2vak h GLU 368 CO -0.10 0.52 -0.02 0.00 -1.00 0.00 0.00 179.01 178.41 2vak h ALA 369 N 1.51 0.02 -0.79 3.43 0.00 -0.81 -1.14 119.26 121.49 2vak h ALA 369 Ca 0.08 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2vak h ALA 369 Cb 0.41 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2vak h ALA 369 CO 0.02 -0.18 0.45 -0.91 0.00 0.00 0.00 179.25 178.63 2vak h ASN 370 N -0.49 0.65 -0.22 0.00 2.35 -0.92 -0.13 115.58 116.81 2vak h ASN 370 Ca 0.00 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 2vak h ASN 370 Cb 0.58 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2vak h ASN 370 CO 0.01 0.39 -0.33 0.44 -1.65 0.00 0.00 177.43 176.29 2vak h ASP 371 N 0.78 0.77 -0.07 5.81 3.45 -1.04 -2.34 116.42 123.77 2vak h ASP 371 Ca 0.37 -0.32 -0.19 0.00 0.43 0.00 0.00 57.03 57.32 2vak h ASP 371 Cb 0.30 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 2vak h ASP 371 CO -0.22 1.03 -0.65 0.15 -1.57 0.00 0.00 179.24 177.98 2vak h PHE 372 N 0.62 0.90 -0.27 4.55 3.57 -0.80 -3.10 116.94 122.41 2vak h PHE 372 Ca 0.07 -0.36 0.02 0.00 3.53 0.00 0.00 57.97 61.23 2vak h PHE 372 Cb 0.86 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2vak h PHE 372 CO 0.04 1.15 0.14 1.03 -2.23 0.00 0.00 178.31 178.44 2vak h SER 373 N 0.51 0.21 -0.39 0.41 0.87 -0.97 -1.59 113.55 112.60 2vak h SER 373 Ca -0.01 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2vak h SER 373 Cb 1.24 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2vak h SER 373 CO 0.13 0.16 0.26 0.78 -0.53 0.00 0.00 176.83 177.62 2vak h ASN 374 N 0.29 0.42 -0.03 6.23 2.35 -1.48 0.95 115.58 124.30 2vak h ASN 374 Ca 0.11 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2vak h ASN 374 Cb 0.03 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2vak h ASN 374 CO -0.07 0.30 -0.05 0.25 -1.65 0.00 0.00 177.43 176.20 2vak h LEU 375 N 0.49 0.10 -0.37 1.61 6.46 -1.42 -2.11 115.31 120.07 2vak h LEU 375 Ca 0.15 -0.54 -0.16 0.00 -0.12 0.00 0.00 57.88 57.20 2vak h LEU 375 Cb -0.01 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2vak h LEU 375 CO -0.03 0.63 -0.41 0.40 -0.62 0.00 0.00 178.44 178.40 2vak h ILE 376 N -0.42 1.27 -0.37 4.05 1.08 -1.25 -1.71 117.51 120.17 2vak h ILE 376 Ca 0.00 -1.58 0.05 0.00 -0.39 0.00 0.00 64.86 62.94 2vak h ILE 376 Cb 0.60 1.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.72 2vak h ILE 376 CO 0.01 0.53 0.10 -0.61 -0.69 0.00 0.00 178.15 177.49 2vak h GLN 377 N 0.75 0.23 -0.72 2.37 4.15 -0.89 -1.08 115.11 119.92 2vak h GLN 377 Ca 0.05 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 2vak h GLN 377 Cb 1.01 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 2vak h GLN 377 CO 0.10 0.15 0.27 0.00 -1.93 0.00 0.00 178.83 177.42 2vak h ALA 378 N 1.26 0.94 -0.31 3.38 0.00 -1.28 -0.55 119.26 122.70 2vak h ALA 378 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2vak h ALA 378 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2vak h ALA 378 CO -0.21 0.59 0.06 -0.44 0.00 0.00 0.00 179.25 179.25 2vak h ASP 379 N 1.05 0.48 0.01 0.00 3.32 -1.04 -2.27 116.42 117.96 2vak h ASP 379 Ca 0.24 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2vak h ASP 379 Cb 0.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2vak h ASP 379 CO -0.02 0.60 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.70 2vak h LEU 380 N 0.33 0.46 -0.75 1.55 3.38 -1.23 -2.49 115.31 116.57 2vak h LEU 380 Ca 0.09 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.01 2vak h LEU 380 Cb 0.31 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 2vak h LEU 380 CO 0.00 0.77 0.33 1.23 0.09 0.00 0.00 178.44 180.87 2vak h GLY 381 N 1.08 1.16 0.84 0.83 0.00 -0.93 0.16 103.07 106.20 2vak h GLY 381 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2vak h GLY 381 CO 0.06 -0.05 0.04 1.46 0.00 0.00 0.00 176.54 178.06 2vak h GLN 382 N 0.51 0.27 -0.83 4.80 1.08 -1.15 -1.73 115.11 118.06 2vak h GLN 382 Ca 0.40 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.50 2vak h GLN 382 Cb 0.56 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 2vak h GLN 382 CO -0.36 0.41 0.37 0.82 -0.95 0.00 0.00 178.83 179.12 2vak h ILE 383 N 0.08 1.26 -0.39 2.54 2.04 -1.17 -1.35 117.51 120.53 2vak h ILE 383 Ca 0.05 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 2vak h ILE 383 Cb 0.26 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2vak h ILE 383 CO 0.00 0.33 -0.15 0.50 0.00 0.00 0.00 178.15 178.82 2vak h LYS 384 N 1.20 0.80 -0.70 2.37 3.64 -0.96 0.18 116.57 123.09 2vak h LYS 384 Ca 0.28 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2vak h LYS 384 Cb 0.17 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 2vak h LYS 384 CO -0.03 0.96 0.18 0.00 -2.27 0.00 0.00 179.45 178.28 2vak h ALA 385 N 0.82 0.92 0.00 5.00 0.00 -1.00 -0.92 119.26 124.09 2vak h ALA 385 Ca 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2vak h ALA 385 Cb 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2vak h ALA 385 CO 0.05 0.64 -0.00 1.96 0.00 0.00 0.00 179.25 181.90 2vak h GLN 386 N 1.05 -0.00 -0.75 0.00 4.20 -1.25 -2.66 115.11 115.70 2vak h GLN 386 Ca 0.22 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.00 2vak h GLN 386 Cb 0.36 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 2vak h GLN 386 CO 0.00 0.61 0.43 -0.44 -0.67 0.00 0.00 178.83 178.77 2vak h ASP 387 N -0.62 0.64 -0.17 1.46 5.19 -0.62 -1.36 116.42 120.94 2vak h ASP 387 Ca -0.00 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2vak h ASP 387 Cb 0.62 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 2vak h ASP 387 CO 0.00 0.40 0.10 0.44 -3.12 0.00 0.00 179.24 177.06 2vak h ASP 388 N 0.78 0.22 0.14 6.45 3.45 -1.24 -1.22 116.42 124.99 2vak h ASP 388 Ca 0.34 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.71 2vak h ASP 388 Cb 0.23 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 2vak h ASP 388 CO -0.20 0.24 -0.07 0.00 -1.57 0.00 0.00 179.24 177.64 2vak h ALA 389 N 0.99 -0.19 0.00 3.45 0.00 -1.22 -2.23 119.26 120.06 2vak h ALA 389 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2vak h ALA 389 Cb 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2vak h ALA 389 CO -0.01 -0.57 -0.49 -0.07 0.00 0.00 0.00 179.25 178.11 2vak h LEU 390 N -0.27 0.00 -0.31 0.00 3.38 -1.28 -1.14 115.31 115.70 2vak h LEU 390 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2vak h LEU 390 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2vak h LEU 390 CO 0.03 0.49 -0.04 0.22 0.09 0.00 0.00 178.44 179.24 2vak h TYR 391 N 0.00 0.63 0.00 1.13 5.03 -1.24 0.86 116.97 123.38 2vak h TYR 391 Ca -0.00 -0.12 -0.05 0.00 2.58 0.00 0.00 58.73 61.13 2vak h TYR 391 Cb 1.13 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 2vak h TYR 391 CO 0.00 0.73 -0.24 -0.97 -1.32 0.00 0.00 178.16 176.35 2vak h ASN 392 N 0.35 0.00 0.00 -2.11 -1.24 -0.94 -3.38 115.58 108.25 2vak h ASN 392 Ca 0.08 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.01 2vak h ASN 392 Cb 0.50 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 2vak h ASN 392 CO 0.02 0.24 -1.29 0.00 -1.29 0.00 0.00 177.43 175.11 2vak n GLN 393 N -4.11 0.84 -3.47 6.67 6.02 -0.47 -4.95 117.38 117.90 2vak n GLN 393 Ca -0.02 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 2vak n GLN 393 Cb 0.31 -1.10 -0.10 0.00 1.02 0.00 0.00 30.24 30.36 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 -2.10 3.02 0.39 -1.09 0.74 0.29 -5.05 119.66 115.86 2vak s GLN 394 Ca -0.06 -0.98 -0.27 0.00 0.05 0.00 0.00 55.36 54.10 2vak s GLN 394 Cb 0.02 -3.95 -0.10 0.00 1.10 0.00 0.00 33.01 30.07 2vak s GLN 394 CO 0.13 -0.72 1.43 -1.25 -0.55 0.00 0.00 175.29 174.33 2vak s PRO 395 N 1.68 4.03 0.00 1.67 0.04 -1.26 -2.50 135.00 138.66 2vak s PRO 395 Ca 0.05 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2vak s PRO 395 Cb -0.19 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2vak s PRO 395 CO 0.10 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2vak n GLY 396 N 0.55 0.73 3.71 0.56 0.00 -1.26 -5.01 105.19 104.47 2vak n GLY 396 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.65 3.18 -0.34 1.61 5.04 -1.04 -4.64 117.35 118.52 2vak s TYR 397 Ca 0.00 0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 55.42 2vak s TYR 397 Cb 0.00 -3.62 -0.00 0.00 0.35 0.00 0.00 41.96 38.68 2vak s TYR 397 CO 0.00 -2.18 0.58 0.00 -1.34 0.00 0.00 175.55 172.62 2vak s ALA 398 N 1.44 3.49 0.34 3.97 0.00 -1.26 -3.77 121.76 125.97 2vak s ALA 398 Ca 0.63 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.47 2vak s ALA 398 Cb -0.34 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 2vak s ALA 398 CO 0.29 -1.20 1.32 1.03 0.00 0.00 0.00 175.76 177.20 2vak s ARG 399 N 2.56 4.32 0.05 0.00 0.52 -0.06 -4.94 118.95 121.39 2vak s ARG 399 Ca 0.22 2.24 0.14 0.00 -0.52 0.00 0.00 55.73 57.82 2vak s ARG 399 Cb -0.15 -3.05 -0.16 0.00 0.52 0.00 0.00 34.95 32.11 2vak s ARG 399 CO 0.13 -0.22 0.85 0.00 0.02 0.00 0.00 175.30 176.08 2vak h ARG 400 N 3.32 0.00 -3.92 3.54 3.08 -1.89 -3.47 114.38 115.03 2vak h ARG 400 Ca -0.49 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.45 2vak h ARG 400 Cb 1.23 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.15 2vak h ARG 400 CO 0.65 0.43 -0.37 0.96 -1.07 0.00 0.00 179.97 180.57 2vak s ILE 401 N -2.80 0.09 0.28 2.04 -4.36 -1.26 -4.44 121.20 110.75 2vak s ILE 401 Ca -0.03 -1.39 -0.30 0.00 -0.26 0.00 0.00 60.65 58.67 2vak s ILE 401 Cb 0.08 -1.73 -0.11 0.00 1.25 0.00 0.00 42.46 41.95 2vak s ILE 401 CO 0.81 -0.41 1.62 -0.75 0.24 0.00 0.00 174.94 176.45 2vak s LYS 402 N -3.95 4.12 0.33 0.37 2.20 -1.26 -4.95 119.74 116.61 2vak s LYS 402 Ca 0.15 2.58 -0.26 0.00 -0.36 0.00 0.00 55.97 58.07 2vak s LYS 402 Cb 0.04 -3.03 -0.13 0.00 -1.51 0.00 0.00 37.83 33.19 2vak s LYS 402 CO -0.03 -0.65 0.87 -2.30 -0.36 0.00 0.00 175.35 172.88 2vak n PRO 403 N 2.52 1.06 -4.12 4.03 -0.02 -1.26 -5.02 135.00 132.20 2vak n PRO 403 Ca 0.10 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 2vak n PRO 403 Cb 0.37 -1.73 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 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 -1.17 0.85 0.15 6.00 -0.71 -1.26 -5.00 117.98 116.84 2vak s PHE 404 Ca 0.61 -1.12 0.09 0.00 -1.04 0.00 0.00 56.93 55.47 2vak s PHE 404 Cb -0.68 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 40.82 2vak s PHE 404 CO 0.59 -0.78 -0.15 0.14 -1.34 0.00 0.00 175.22 173.68 2vak s VAL 405 N -4.10 2.93 0.42 -2.49 -7.23 -1.26 -5.03 120.40 103.63 2vak s VAL 405 Ca 0.33 -1.63 0.30 0.00 -1.81 0.00 0.00 61.98 59.17 2vak s VAL 405 Cb 0.04 -2.40 0.33 0.00 0.56 0.00 0.00 36.38 34.91 2vak s VAL 405 CO 0.11 -0.01 2.11 0.78 -0.31 0.00 0.00 175.10 177.78 2vak h ASN 406 N 3.33 0.00 -0.07 4.85 2.35 -2.03 -2.27 115.58 121.74 2vak h ASN 406 Ca -0.48 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.29 2vak h ASN 406 Cb 1.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 2vak h ASN 406 CO 0.50 0.08 0.20 1.23 -1.65 0.00 0.00 177.43 177.79 2vak h GLY 407 N 0.84 0.00 1.91 2.83 0.00 -2.00 -2.92 103.07 103.72 2vak h GLY 407 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vak h GLY 407 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 2vak n ASP 408 N -3.23 0.00 0.03 0.19 8.00 -0.85 -2.24 116.55 118.45 2vak n ASP 408 Ca -0.01 0.40 0.12 0.00 0.71 0.00 0.00 54.79 56.02 2vak n ASP 408 Cb 0.28 -0.45 0.32 0.00 -0.02 0.00 0.00 41.12 41.24 2vak n ASP 408 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2vak n TRP 409 N -1.45 0.25 -1.38 1.24 7.02 -1.10 -3.41 117.44 118.61 2vak n TRP 409 Ca 0.05 0.07 -0.31 0.00 -1.02 0.00 0.00 57.50 56.30 2vak n TRP 409 Cb 0.18 -0.49 0.09 0.00 -2.42 0.00 0.00 31.31 28.68 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 -3.06 3.30 0.35 -0.99 -4.23 -0.95 -4.97 115.64 105.09 2vak s THR 410 Ca 0.10 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 2vak s THR 410 Cb 0.16 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.28 2vak s THR 410 CO 0.66 -0.55 1.95 -0.65 -0.54 0.00 0.00 174.62 175.49 2vak h PRO 411 N -1.12 0.76 0.00 3.99 0.11 -1.90 -3.45 132.00 130.39 2vak h PRO 411 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2vak h PRO 411 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2vak h PRO 411 CO 0.55 0.51 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 2vak n GLY 412 N -1.44 2.49 1.38 -0.55 0.00 -1.26 -2.64 105.19 103.17 2vak n GLY 412 Ca 0.12 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 10.28 1.47 -0.23 1.61 2.81 -1.26 -4.53 117.12 127.26 2vak n MET 413 Ca 0.00 -1.00 0.02 0.00 -1.81 0.00 0.00 57.70 54.91 2vak n MET 413 Cb 0.00 -1.41 0.14 0.00 -0.71 0.00 0.00 33.22 31.23 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 0.39 0.76 -0.60 2.03 2.02 -1.61 -2.34 112.91 113.56 2vak h THR 414 Ca 0.20 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2vak h THR 414 Cb 1.58 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2vak h THR 414 CO 0.35 0.09 0.33 0.00 0.37 0.00 0.00 175.52 176.66 2vak h ALA 415 N 1.46 1.45 -0.30 6.16 0.00 -1.86 0.14 119.26 126.31 2vak h ALA 415 Ca 0.35 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2vak h ALA 415 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2vak h ALA 415 CO -0.32 0.45 -0.08 1.96 0.00 0.00 0.00 179.25 181.26 2vak h GLN 416 N 0.83 0.59 -0.50 0.00 7.50 -1.81 -2.66 115.11 119.06 2vak h GLN 416 Ca 0.21 -0.23 -0.06 0.00 0.50 0.00 0.00 58.65 59.07 2vak h GLN 416 Cb 0.02 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.49 2vak h GLN 416 CO -0.04 0.78 0.05 0.00 -1.50 0.00 0.00 178.83 178.13 2vak h ALA 417 N 0.79 1.16 -0.25 3.87 0.00 -0.91 -2.68 119.26 121.24 2vak h ALA 417 Ca 0.08 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2vak h ALA 417 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2vak h ALA 417 CO 0.03 0.55 -0.39 -0.07 0.00 0.00 0.00 179.25 179.37 2vak h LEU 418 N 0.75 0.61 0.31 0.00 3.38 -0.92 -1.44 115.31 118.01 2vak h LEU 418 Ca 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2vak h LEU 418 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2vak h LEU 418 CO 0.01 0.94 -0.15 0.00 0.09 0.00 0.00 178.44 179.33 2vak h ALA 419 N 1.09 -0.42 -0.99 1.53 0.00 -1.36 -0.67 119.26 118.43 2vak h ALA 419 Ca 0.04 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2vak h ALA 419 Cb 0.90 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 2vak h ALA 419 CO 0.08 -0.48 -0.48 0.28 0.00 0.00 0.00 179.25 178.65 2vak n VAL 420 N -5.08 -0.59 0.23 0.00 0.31 -1.02 -1.54 118.33 110.63 2vak n VAL 420 Ca -0.08 2.35 0.06 0.00 -0.01 0.00 0.00 64.34 66.66 2vak n VAL 420 Cb 0.26 -3.02 0.54 0.00 -0.91 0.00 0.00 33.84 30.72 2vak n VAL 420 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2vak h LEU 421 N 0.00 0.00 -2.04 7.52 3.38 -1.20 -1.91 115.31 121.06 2vak h LEU 421 Ca 0.26 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.29 2vak h LEU 421 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2vak h LEU 421 CO -0.96 0.14 0.15 0.00 0.09 0.00 0.00 178.44 177.87 2vak h ALA 422 N 1.86 2.14 -0.01 1.53 0.00 -0.05 -2.67 119.26 122.05 2vak h ALA 422 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2vak h ALA 422 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2vak h ALA 422 CO 0.02 -0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.26 2vak n THR 423 N -4.38 0.01 1.59 0.00 -2.24 -0.72 -3.99 114.28 104.55 2vak n THR 423 Ca 0.02 -0.06 0.15 0.00 -2.27 0.00 0.00 64.05 61.89 2vak n THR 423 Cb 0.29 -0.25 0.81 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.69 0.00 0.69 4.78 3.01 -1.01 -2.33 117.46 121.91 2vak n PHE 424 Ca 0.21 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.76 2vak n PHE 424 Cb 0.16 -0.19 0.08 0.00 -0.01 0.00 0.00 39.48 39.51 2vak n PHE 424 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2vak n THR 425 N -1.19 0.03 1.98 4.37 -2.24 -1.26 -4.86 114.28 111.11 2vak n THR 425 Ca 0.17 -0.52 0.16 0.00 -2.27 0.00 0.00 64.05 61.60 2vak n THR 425 Cb 0.19 1.34 0.93 0.00 -2.10 0.00 0.00 70.33 70.69 2vak n THR 425 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50