#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vax h ARG 8 N 0.00 0.00 -0.01 1.20 0.11 -1.96 -0.81 114.38 112.90 2vax h ARG 8 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2vax h ARG 8 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2vax h ARG 8 CO 0.00 0.14 -0.05 0.74 0.10 0.00 0.00 179.97 180.89 2vax h PHE 9 N 0.00 0.08 -0.76 4.08 -1.00 -1.95 -2.65 116.94 114.73 2vax h PHE 9 Ca -0.00 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 2vax h PHE 9 Cb 0.51 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.03 2vax h PHE 9 CO 0.00 0.70 0.41 1.49 -1.61 0.00 0.00 178.31 179.30 2vax h GLU 10 N -0.57 1.07 -0.63 1.51 4.81 -1.54 -2.93 114.58 116.30 2vax h GLU 10 Ca -0.00 -0.13 0.16 0.00 -0.13 0.00 0.00 59.36 59.26 2vax h GLU 10 Cb 0.70 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2vax h GLU 10 CO 0.01 0.80 0.44 0.00 -0.73 0.00 0.00 179.01 179.53 2vax h ALA 11 N 1.21 2.42 0.00 2.92 0.00 -1.14 -2.54 119.26 122.13 2vax h ALA 11 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2vax h ALA 11 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vax h ALA 11 CO -0.04 -0.60 0.00 -1.13 0.00 0.00 0.00 179.25 177.48 2vax n SER 12 N -4.40 0.00 -4.92 0.00 3.41 -1.00 -4.88 113.62 101.83 2vax n SER 12 Ca 0.12 -0.34 -0.26 0.00 -0.26 0.00 0.00 58.87 58.13 2vax n SER 12 Cb 0.62 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2vax n SER 12 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2vax s LEU 13 N -2.39 3.74 1.35 1.04 1.43 -0.96 -5.09 118.68 117.79 2vax s LEU 13 Ca 0.30 0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 53.98 2vax s LEU 13 Cb 0.18 -3.72 0.34 0.00 0.03 0.00 0.00 46.19 43.02 2vax s LEU 13 CO 0.37 -0.50 1.00 -1.81 0.23 0.00 0.00 176.35 175.64 2vax s ASP 14 N -4.09 -0.38 0.42 2.29 1.01 -1.26 -4.97 116.67 109.70 2vax s ASP 14 Ca 0.45 0.77 -0.25 0.00 0.71 0.00 0.00 52.55 54.23 2vax s ASP 14 Cb -0.10 -1.08 -0.08 0.00 1.01 0.00 0.00 42.92 42.67 2vax s ASP 14 CO 0.42 -4.93 1.28 0.00 0.21 0.00 0.00 175.17 172.15 2vax s ALA 15 N -2.54 3.19 0.19 5.23 0.00 -1.26 -5.02 121.76 121.54 2vax s ALA 15 Ca 0.70 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 53.64 2vax s ALA 15 Cb -0.12 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.57 2vax s ALA 15 CO 0.57 -0.81 0.55 1.14 0.00 0.00 0.00 175.76 177.21 2vax s GLN 16 N -2.33 1.36 0.30 0.00 -2.07 -1.26 -5.00 119.66 110.65 2vax s GLN 16 Ca 0.58 -0.75 0.01 0.00 -1.82 0.00 0.00 55.36 53.38 2vax s GLN 16 Cb -0.36 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 2vax s GLN 16 CO 0.46 -0.58 0.49 -0.51 -1.32 0.00 0.00 175.29 173.83 2vax s ASP 17 N -2.84 6.33 -0.10 12.60 1.01 -0.87 -4.93 116.67 127.87 2vax s ASP 17 Ca 0.06 0.39 -0.00 0.00 0.71 0.00 0.00 52.55 53.72 2vax s ASP 17 Cb -0.01 -2.01 0.02 0.00 1.01 0.00 0.00 42.92 41.94 2vax s ASP 17 CO -0.06 -0.20 -0.07 -0.63 0.21 0.00 0.00 175.17 174.42 2vax s ILE 18 N -2.16 0.93 0.05 0.77 -1.09 -1.26 -1.29 121.20 117.15 2vax s ILE 18 Ca 0.39 -0.25 -0.07 0.00 -2.23 0.00 0.00 60.65 58.49 2vax s ILE 18 Cb -0.10 -0.95 -0.05 0.00 -1.58 0.00 0.00 42.46 39.78 2vax s ILE 18 CO 0.33 0.35 0.31 0.00 -1.23 0.00 0.00 174.94 174.70 2vax s ALA 19 N 1.58 3.82 -0.11 9.38 0.00 -0.37 -4.91 121.76 131.14 2vax s ALA 19 Ca 0.02 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.47 2vax s ALA 19 Cb -0.13 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.88 2vax s ALA 19 CO -0.06 0.64 -0.22 1.03 0.00 0.00 0.00 175.76 177.15 2vax s ARG 20 N -1.97 3.11 -0.26 0.00 0.52 -1.26 -0.70 118.95 118.39 2vax s ARG 20 Ca 0.31 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 54.61 2vax s ARG 20 Cb -0.13 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 2vax s ARG 20 CO 0.18 0.15 0.08 0.42 0.02 0.00 0.00 175.30 176.16 2vax s ILE 21 N 0.42 4.32 0.28 1.52 -1.09 -0.47 -4.87 121.20 121.31 2vax s ILE 21 Ca -0.16 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.05 2vax s ILE 21 Cb -0.17 -3.07 0.05 0.00 -1.58 0.00 0.00 42.46 37.69 2vax s ILE 21 CO 0.07 0.28 1.70 0.77 -1.23 0.00 0.00 174.94 176.53 2vax h SER 22 N 8.25 0.38 -3.47 3.58 4.64 -1.92 0.33 113.55 125.34 2vax h SER 22 Ca -0.37 -0.14 -0.30 0.00 -0.47 0.00 0.00 61.79 60.51 2vax h SER 22 Cb 1.17 -0.10 -0.34 0.00 -0.31 0.00 0.00 62.40 62.81 2vax h SER 22 CO 0.58 0.70 -0.71 -0.76 -0.87 0.00 0.00 176.83 175.78 2vax s LEU 23 N -8.46 0.88 -0.03 5.97 1.43 -1.26 -0.17 118.68 117.04 2vax s LEU 23 Ca -0.06 0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2vax s LEU 23 Cb 0.13 -0.00 0.03 0.00 0.03 0.00 0.00 46.19 46.38 2vax s LEU 23 CO 0.78 -0.15 0.02 0.12 0.23 0.00 0.00 176.35 177.35 2vax s PHE 24 N 1.25 0.21 -0.42 0.29 2.19 0.11 -5.00 117.98 116.62 2vax s PHE 24 Ca -0.07 0.07 -0.15 0.00 0.33 0.00 0.00 56.93 57.11 2vax s PHE 24 Cb -0.13 -0.40 0.03 0.00 -1.31 0.00 0.00 43.02 41.21 2vax s PHE 24 CO -0.04 -0.14 0.32 0.99 1.83 0.00 0.00 175.22 178.18 2vax s THR 25 N 1.29 5.25 0.85 0.12 2.01 -1.26 -0.37 115.64 123.53 2vax s THR 25 Ca -0.06 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 2vax s THR 25 Cb -0.13 -3.96 0.11 0.00 0.01 0.00 0.00 72.50 68.53 2vax s THR 25 CO -0.03 -0.34 1.13 -0.76 -0.69 0.00 0.00 174.62 173.93 2vax s LEU 26 N 1.70 2.94 0.10 4.42 1.43 0.91 -4.86 118.68 125.32 2vax s LEU 26 Ca 0.05 2.07 0.21 0.00 -1.03 0.00 0.00 54.13 55.44 2vax s LEU 26 Cb -0.19 -4.55 0.86 0.00 0.03 0.00 0.00 46.19 42.33 2vax s LEU 26 CO 0.10 -2.68 1.66 -1.84 0.23 0.00 0.00 176.35 173.82 2vax n GLU 27 N -3.89 0.09 0.29 1.70 0.28 -1.26 -0.36 120.64 117.49 2vax n GLU 27 Ca 0.11 0.25 0.18 0.00 -0.16 0.00 0.00 57.16 57.54 2vax n GLU 27 Cb 0.52 -1.64 0.83 0.00 1.43 0.00 0.00 31.44 32.58 2vax n GLU 27 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2vax h SER 28 N 0.00 0.00 0.00 -1.84 4.64 -1.90 -3.46 113.55 110.98 2vax h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vax h SER 28 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2vax h SER 28 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2vax n GLY 29 N -0.38 0.42 3.78 -0.77 0.00 0.52 -5.08 105.19 103.67 2vax n GLY 29 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2vax n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vax s VAL 30 N -2.12 3.91 -0.23 1.61 -7.23 -1.26 -4.77 120.40 110.31 2vax s VAL 30 Ca 0.00 1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 61.70 2vax s VAL 30 Cb 0.00 -3.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.00 2vax s VAL 30 CO 0.00 0.15 0.07 -0.63 -0.31 0.00 0.00 175.10 174.38 2vax s ILE 31 N -1.53 4.47 0.01 -0.62 1.01 -1.26 -0.06 121.20 123.21 2vax s ILE 31 Ca 0.51 -0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.91 2vax s ILE 31 Cb -0.22 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 2vax s ILE 31 CO 0.28 0.38 0.37 -0.76 0.00 0.00 0.00 174.94 175.21 2vax s LEU 32 N 1.19 4.43 -0.04 2.97 1.43 0.50 -4.95 118.68 124.22 2vax s LEU 32 Ca 0.05 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2vax s LEU 32 Cb -0.14 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2vax s LEU 32 CO 0.03 0.29 -0.03 -0.13 0.23 0.00 0.00 176.35 176.75 2vax s ARG 33 N -1.34 2.79 -1.20 1.70 0.52 -1.26 -0.71 118.95 119.45 2vax s ARG 33 Ca 0.26 -0.56 -0.08 0.00 -0.52 0.00 0.00 55.73 54.83 2vax s ARG 33 Cb -0.15 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 2vax s ARG 33 CO 0.14 0.65 0.77 -3.47 0.02 0.00 0.00 175.30 173.41 2vax n ASP 34 N 1.81 -3.63 -4.58 0.23 2.03 0.76 -4.80 116.55 108.38 2vax n ASP 34 Ca -0.17 -0.86 -0.42 0.00 0.52 0.00 0.00 54.79 53.87 2vax n ASP 34 Cb 0.53 -4.08 -0.06 0.00 -0.72 0.00 0.00 41.12 36.78 2vax n ASP 34 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2vax s VAL 35 N -3.55 4.88 0.25 5.18 1.01 0.11 -4.81 120.40 123.48 2vax s VAL 35 Ca 0.25 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.60 2vax s VAL 35 Cb -0.07 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 2vax s VAL 35 CO 0.81 -0.30 1.05 -2.16 0.00 0.00 0.00 175.10 174.50 2vax s PRO 36 N 2.73 4.71 -0.21 2.72 0.04 -1.26 -1.37 135.00 142.35 2vax s PRO 36 Ca 0.25 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2vax s PRO 36 Cb -0.14 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.21 2vax s PRO 36 CO 0.14 0.29 -0.09 0.08 0.04 0.00 0.00 177.00 177.46 2vax s VAL 37 N -1.06 1.66 0.27 -0.36 1.01 0.13 -1.02 120.40 121.02 2vax s VAL 37 Ca 0.44 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 2vax s VAL 37 Cb -0.30 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 2vax s VAL 37 CO 0.38 0.11 0.75 0.00 0.00 0.00 0.00 175.10 176.33 2vax s ALA 38 N 1.38 3.36 0.24 5.51 0.00 -1.26 -1.24 121.76 129.74 2vax s ALA 38 Ca -0.03 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.93 2vax s ALA 38 Cb -0.17 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.13 2vax s ALA 38 CO -0.08 0.31 0.54 1.52 0.00 0.00 0.00 175.76 178.06 2vax s TYR 39 N -1.69 0.07 -0.06 0.00 1.13 -0.41 -0.60 117.35 115.79 2vax s TYR 39 Ca 0.47 -0.45 -0.04 0.00 -1.41 0.00 0.00 57.07 55.64 2vax s TYR 39 Cb -0.14 0.37 0.03 0.00 -1.10 0.00 0.00 41.96 41.11 2vax s TYR 39 CO 0.20 -1.02 0.15 0.21 -2.51 0.00 0.00 175.55 172.57 2vax s LYS 40 N -3.95 0.13 0.20 -3.49 2.47 -0.21 -2.04 119.74 112.85 2vax s LYS 40 Ca 0.15 0.28 0.04 0.00 -1.56 0.00 0.00 55.97 54.89 2vax s LYS 40 Cb -0.02 -0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 36.26 2vax s LYS 40 CO 0.04 -0.09 -0.05 -1.54 0.16 0.00 0.00 175.35 173.87 2vax s SER 41 N 0.61 1.92 -0.01 1.43 1.04 -1.26 -1.33 113.70 116.10 2vax s SER 41 Ca -0.04 -1.12 -0.01 0.00 0.48 0.00 0.00 55.95 55.25 2vax s SER 41 Cb -0.06 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.05 2vax s SER 41 CO -0.03 -0.41 0.03 0.26 0.98 0.00 0.00 173.24 174.07 2vax s TRP 42 N -3.33 -0.03 0.00 5.02 0.51 -0.11 -4.99 118.94 116.01 2vax s TRP 42 Ca 0.24 0.08 0.00 0.00 -2.12 0.00 0.00 56.10 54.29 2vax s TRP 42 Cb 0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 33.47 32.69 2vax s TRP 42 CO 0.06 -0.02 0.00 0.41 -0.51 0.00 0.00 176.95 176.89 2vax n GLY 43 N 3.14 -2.04 3.02 0.98 0.00 -1.26 -0.48 105.19 108.56 2vax n GLY 43 Ca -0.13 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 2vax n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vax s ARG 44 N -0.08 0.59 0.27 1.61 3.52 -1.24 -4.79 118.95 118.83 2vax s ARG 44 Ca 0.00 -0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 2vax s ARG 44 Cb 0.00 -0.53 -0.10 0.00 -1.56 0.00 0.00 34.95 32.76 2vax s ARG 44 CO 0.00 0.14 1.28 -1.64 -0.81 0.00 0.00 175.30 174.27 2vax s MET 45 N -0.59 4.41 1.02 5.12 -1.94 -1.26 -3.77 119.30 122.29 2vax s MET 45 Ca -0.00 2.09 -0.15 0.00 -1.71 0.00 0.00 55.69 55.92 2vax s MET 45 Cb -0.05 -3.14 0.20 0.00 2.01 0.00 0.00 34.83 33.86 2vax s MET 45 CO 0.00 -0.16 1.17 0.54 -0.01 0.00 0.00 175.02 176.56 2vax s ASN 46 N -0.21 2.55 0.29 3.03 2.20 -1.26 -4.89 114.94 116.65 2vax s ASN 46 Ca 0.51 0.72 0.00 0.00 -0.94 0.00 0.00 52.86 53.15 2vax s ASN 46 Cb -0.37 -1.08 0.44 0.00 -2.00 0.00 0.00 41.25 38.24 2vax s ASN 46 CO 0.45 -3.12 1.83 0.58 -2.94 0.00 0.00 177.10 173.89 2vax h VAL 47 N -1.90 1.22 0.00 3.54 2.07 -2.03 -0.59 116.25 118.56 2vax h VAL 47 Ca -0.48 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2vax h VAL 47 Cb 1.30 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2vax h VAL 47 CO 0.48 0.30 0.00 -1.28 0.02 0.00 0.00 177.57 177.09 2vax h SER 48 N 0.70 0.00 -4.26 0.57 0.87 -2.01 -3.47 113.55 105.95 2vax h SER 48 Ca 0.15 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.37 2vax h SER 48 Cb 0.34 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.37 2vax h SER 48 CO 0.01 0.00 -0.53 0.54 -0.53 0.00 0.00 176.83 176.31 2vax n ARG 49 N -2.39 -5.03 -0.24 2.24 5.12 -0.23 -4.73 116.66 111.41 2vax n ARG 49 Ca 0.03 0.75 0.01 0.00 -1.93 0.00 0.00 57.85 56.71 2vax n ARG 49 Cb 0.32 -5.35 0.01 0.00 -1.16 0.00 0.00 32.46 26.28 2vax n ARG 49 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2vax n ASP 50 N -2.01 0.41 -1.56 0.55 5.75 -1.26 -0.83 116.55 117.59 2vax n ASP 50 Ca -0.06 -1.76 -0.07 0.00 -0.01 0.00 0.00 54.79 52.89 2vax n ASP 50 Cb 0.59 -0.14 0.23 0.00 -1.03 0.00 0.00 41.12 40.77 2vax n ASP 50 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2vax n ASN 51 N -0.19 3.58 -4.69 -1.12 6.94 -1.26 -4.06 115.26 114.45 2vax n ASN 51 Ca 0.02 -3.48 -0.42 0.00 -0.02 0.00 0.00 54.58 50.68 2vax n ASN 51 Cb 0.59 -0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 2vax n ASN 51 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2vax s VAL 53 N 1.94 3.27 -0.22 0.00 1.01 0.59 0.15 120.40 127.14 2vax s VAL 53 Ca 0.50 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 2vax s VAL 53 Cb -0.19 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2vax s VAL 53 CO 0.19 0.45 0.27 -0.63 0.00 0.00 0.00 175.10 175.38 2vax s ILE 54 N 1.22 5.29 -0.21 2.22 1.01 -0.21 -0.86 121.20 129.65 2vax s ILE 54 Ca 0.02 0.42 -0.07 0.00 0.00 0.00 0.00 60.65 61.02 2vax s ILE 54 Cb -0.14 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2vax s ILE 54 CO -0.02 0.31 0.06 -0.69 0.00 0.00 0.00 174.94 174.60 2vax s VAL 55 N 1.10 4.47 -0.27 2.92 1.01 0.19 -0.60 120.40 129.22 2vax s VAL 55 Ca 0.13 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 2vax s VAL 55 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2vax s VAL 55 CO 0.06 0.40 0.29 0.00 0.00 0.00 0.00 175.10 175.85 2vax s HIS 57 N 1.88 2.28 0.74 0.00 -3.43 -1.26 -3.94 115.29 111.55 2vax s HIS 57 Ca 0.12 0.75 -0.08 0.00 -0.80 0.00 0.00 55.06 55.05 2vax s HIS 57 Cb -0.16 -3.49 0.07 0.00 -1.43 0.00 0.00 32.58 27.58 2vax s HIS 57 CO 0.10 -2.47 1.07 0.95 -2.00 0.00 0.00 174.74 172.39 2vax s THR 58 N -3.35 2.18 0.30 -5.38 -4.23 -1.26 -2.52 115.64 101.38 2vax s THR 58 Ca 0.65 -0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.99 2vax s THR 58 Cb -0.13 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.09 2vax s THR 58 CO 0.53 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 176.46 2vax h LEU 59 N -0.76 -0.33 -2.32 4.79 5.85 -1.95 -2.93 115.31 117.65 2vax h LEU 59 Ca -0.45 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2vax h LEU 59 Cb 1.32 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2vax h LEU 59 CO 0.61 -0.30 0.00 0.35 -0.34 0.00 0.00 178.44 178.77 2vax n THR 60 N -5.41 0.64 -2.37 1.05 -2.24 -1.26 -5.00 114.28 99.69 2vax n THR 60 Ca 0.22 -0.82 -0.24 0.00 -2.27 0.00 0.00 64.05 60.94 2vax n THR 60 Cb 0.73 0.73 0.06 0.00 -2.10 0.00 0.00 70.33 69.75 2vax n THR 60 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2vax s SER 61 N -0.83 5.00 0.63 3.42 1.04 -1.11 -5.07 113.70 116.79 2vax s SER 61 Ca 0.11 0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.82 2vax s SER 61 Cb 0.06 -1.04 0.08 0.00 0.10 0.00 0.00 66.02 65.23 2vax s SER 61 CO 0.09 -1.42 0.56 -1.54 0.98 0.00 0.00 173.24 171.91 2vax n SER 62 N -2.70 0.64 0.00 7.02 3.41 -1.26 -4.85 113.62 115.87 2vax n SER 62 Ca 0.08 -1.57 0.06 0.00 -0.26 0.00 0.00 58.87 57.18 2vax n SER 62 Cb 0.60 -0.38 0.28 0.00 -0.26 0.00 0.00 64.21 64.45 2vax n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vax n ALA 63 N -3.02 1.62 -2.66 7.33 0.00 -1.26 -4.47 120.51 118.05 2vax n ALA 63 Ca -0.09 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 2vax n ALA 63 Cb 0.32 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2vax n ALA 63 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2vax n HIS 64 N -1.41 4.70 0.20 0.00 8.25 -1.26 -4.68 115.22 121.01 2vax n HIS 64 Ca 0.04 -3.00 0.04 0.00 -0.26 0.00 0.00 57.72 54.54 2vax n HIS 64 Cb 0.12 -2.49 0.42 0.00 1.12 0.00 0.00 29.99 29.16 2vax n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2vax h VAL 65 N 5.21 1.14 -0.29 1.59 2.07 -1.97 -1.56 116.25 122.43 2vax h VAL 65 Ca 0.41 -1.11 0.09 0.00 0.82 0.00 0.00 66.70 66.91 2vax h VAL 65 Cb 0.86 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2vax h VAL 65 CO 1.41 0.31 0.38 0.71 0.02 0.00 0.00 177.57 180.41 2vax h THR 66 N 0.00 0.32 0.00 2.57 1.35 -1.85 0.27 112.91 115.56 2vax h THR 66 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.79 2vax h THR 66 Cb 0.59 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2vax h THR 66 CO 0.04 0.00 -0.32 0.77 -0.25 0.00 0.00 175.52 175.76 2vax h SER 67 N 0.00 0.00 0.00 5.36 4.64 -1.69 -2.82 113.55 119.05 2vax h SER 67 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2vax h SER 67 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2vax h SER 67 CO -0.00 0.32 -1.09 -2.67 -0.87 0.00 0.00 176.83 172.51 2vax n TRP 68 N -3.20 0.00 -2.19 4.77 4.27 -0.80 -4.72 117.44 115.57 2vax n TRP 68 Ca 0.02 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.37 2vax n TRP 68 Cb 0.64 -0.07 0.01 0.00 -1.36 0.00 0.00 31.31 30.53 2vax n TRP 68 CO 0.00 0.00 0.00 0.91 -2.29 0.00 0.00 177.69 176.31 2vax n TRP 69 N -1.58 3.07 -0.03 -2.67 8.01 0.89 -4.92 117.44 120.20 2vax n TRP 69 Ca -0.01 -2.65 0.01 0.00 -1.31 0.00 0.00 57.50 53.55 2vax n TRP 69 Cb 0.09 -0.30 0.33 0.00 -2.01 0.00 0.00 31.31 29.43 2vax n TRP 69 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2vax h PRO 70 N 2.38 0.61 0.00 -0.99 0.13 -1.67 -1.63 132.00 130.83 2vax h PRO 70 Ca 0.35 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 2vax h PRO 70 Cb 1.19 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2vax h PRO 70 CO 0.85 0.50 0.00 0.25 -0.23 0.00 0.00 178.00 179.37 2vax n THR 71 N -4.37 0.02 0.83 1.56 -2.24 -1.26 -2.65 114.28 106.16 2vax n THR 71 Ca 0.03 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 2vax n THR 71 Cb 0.14 -0.56 0.33 0.00 -2.10 0.00 0.00 70.33 68.14 2vax n THR 71 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vax n LEU 72 N -1.05 0.49 -4.87 3.22 4.32 -0.61 -4.81 117.00 113.68 2vax n LEU 72 Ca 0.20 0.25 -0.36 0.00 -0.02 0.00 0.00 56.01 56.08 2vax n LEU 72 Cb 0.12 -0.29 -0.06 0.00 -1.62 0.00 0.00 43.42 41.57 2vax n LEU 72 CO 0.17 0.01 0.01 -0.36 -1.22 0.00 0.00 177.39 176.00 2vax s PHE 73 N -3.06 3.62 0.00 -1.77 0.40 -1.08 -0.17 117.98 115.91 2vax s PHE 73 Ca 0.10 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.17 2vax s PHE 73 Cb 0.16 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.58 2vax s PHE 73 CO 0.66 0.60 0.00 0.41 0.70 0.00 0.00 175.22 177.59 2vax n GLY 74 N 1.30 2.06 3.76 4.36 0.00 -0.99 -4.84 105.19 110.84 2vax n GLY 74 Ca -0.12 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 2vax n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vax s GLN 75 N -1.63 4.51 0.00 1.61 0.74 -1.26 -1.76 119.66 121.87 2vax s GLN 75 Ca 0.00 1.98 0.00 0.00 0.05 0.00 0.00 55.36 57.39 2vax s GLN 75 Cb 0.00 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.96 2vax s GLN 75 CO 0.00 0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.18 2vax n GLY 76 N 1.14 0.96 3.97 2.59 0.00 -1.26 -4.99 105.19 107.60 2vax n GLY 76 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2vax n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vax s ARG 77 N -0.28 1.62 0.14 1.61 1.81 -0.72 -5.01 118.95 118.11 2vax s ARG 77 Ca 0.00 -0.82 -0.15 0.00 -1.72 0.00 0.00 55.73 53.04 2vax s ARG 77 Cb 0.00 -2.23 0.01 0.00 -0.45 0.00 0.00 34.95 32.28 2vax s ARG 77 CO 0.00 -1.54 1.66 0.00 -0.68 0.00 0.00 175.30 174.74 2vax h ALA 78 N -0.71 0.58 -2.20 2.13 0.00 -1.73 -3.18 119.26 114.16 2vax h ALA 78 Ca -0.40 -0.17 -0.80 0.00 0.00 0.00 0.00 54.91 53.54 2vax h ALA 78 Cb 1.27 -0.17 -0.27 0.00 0.00 0.00 0.00 17.79 18.62 2vax h ALA 78 CO 0.44 0.23 0.69 1.19 0.00 0.00 0.00 179.25 181.79 2vax n PHE 79 N -4.56 3.91 -2.52 0.00 3.72 0.76 -4.80 117.46 113.97 2vax n PHE 79 Ca 0.00 -3.29 -0.42 0.00 -0.05 0.00 0.00 57.45 53.70 2vax n PHE 79 Cb 0.18 -1.54 -0.03 0.00 -0.94 0.00 0.00 39.48 37.15 2vax n PHE 79 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2vax s ASP 80 N 0.04 6.27 0.00 4.37 -1.08 -1.20 -2.34 116.67 122.73 2vax s ASP 80 Ca 0.32 -0.03 0.13 0.00 -0.52 0.00 0.00 52.55 52.45 2vax s ASP 80 Cb -0.03 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.54 2vax s ASP 80 CO 0.01 -1.66 1.34 0.35 0.52 0.00 0.00 175.17 175.73 2vax n THR 81 N 6.63 0.67 0.06 1.71 -2.24 -1.26 -1.50 114.28 118.36 2vax n THR 81 Ca 0.08 0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 62.00 2vax n THR 81 Cb 0.49 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 2vax n THR 81 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2vax h SER 82 N 0.00 0.00 0.00 3.42 0.02 -1.90 -3.39 113.55 111.70 2vax h SER 82 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2vax h SER 82 Cb 0.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2vax h SER 82 CO 0.00 0.75 -1.92 0.54 -1.14 0.00 0.00 176.83 175.07 2vax n ARG 83 N -3.15 1.03 -4.16 3.45 1.74 -0.76 -5.00 116.66 109.81 2vax n ARG 83 Ca -0.05 -0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 2vax n ARG 83 Cb 0.88 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 2vax n ARG 83 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2vax s TYR 84 N -2.73 1.05 -0.46 -1.55 1.51 -0.56 -4.90 117.35 109.70 2vax s TYR 84 Ca -0.07 -0.60 -0.17 0.00 -1.01 0.00 0.00 57.07 55.23 2vax s TYR 84 Cb 0.07 -0.58 0.05 0.00 -0.11 0.00 0.00 41.96 41.40 2vax s TYR 84 CO 0.66 0.00 0.44 0.12 -1.11 0.00 0.00 175.55 175.66 2vax s PHE 85 N -2.09 3.19 -0.21 2.71 5.36 -0.50 -3.68 117.98 122.75 2vax s PHE 85 Ca 0.02 -0.71 -0.15 0.00 -0.96 0.00 0.00 56.93 55.13 2vax s PHE 85 Cb -0.05 -3.13 -0.04 0.00 -0.34 0.00 0.00 43.02 39.46 2vax s PHE 85 CO 0.01 -0.81 0.37 0.42 -1.46 0.00 0.00 175.22 173.75 2vax s ILE 86 N 1.95 5.22 0.00 3.12 -1.09 0.37 -0.30 121.20 130.46 2vax s ILE 86 Ca 0.08 0.63 0.03 0.00 -2.23 0.00 0.00 60.65 59.16 2vax s ILE 86 Cb -0.21 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 2vax s ILE 86 CO 0.09 0.25 -0.10 -0.51 -1.23 0.00 0.00 174.94 173.45 2vax s ILE 87 N 1.34 0.78 -0.10 2.92 2.07 -0.04 -0.93 121.20 127.23 2vax s ILE 87 Ca 0.17 -0.51 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 2vax s ILE 87 Cb -0.15 -0.67 0.02 0.00 0.13 0.00 0.00 42.46 41.79 2vax s ILE 87 CO 0.08 0.16 -0.13 0.00 -1.91 0.00 0.00 174.94 173.13 2vax s LEU 89 N 1.00 3.55 0.15 0.00 1.02 -1.26 -1.05 118.68 122.09 2vax s LEU 89 Ca -0.07 0.10 -0.30 0.00 0.02 0.00 0.00 54.13 53.88 2vax s LEU 89 Cb -0.15 -1.82 -0.07 0.00 0.02 0.00 0.00 46.19 44.17 2vax s LEU 89 CO -0.01 0.34 1.16 0.21 0.02 0.00 0.00 176.35 178.07 2vax s ASN 90 N -0.65 7.15 0.62 2.29 3.04 0.23 -4.75 114.94 122.87 2vax s ASN 90 Ca 0.10 2.13 -0.17 0.00 0.04 0.00 0.00 52.86 54.96 2vax s ASN 90 Cb -0.12 -2.60 -0.02 0.00 -1.54 0.00 0.00 41.25 36.98 2vax s ASN 90 CO 0.02 -0.34 1.17 -0.31 -3.04 0.00 0.00 177.10 174.60 2vax s TYR 91 N 0.15 2.44 0.41 0.43 4.12 -1.26 -4.59 117.35 119.05 2vax s TYR 91 Ca 0.53 1.55 -0.26 0.00 0.02 0.00 0.00 57.07 58.91 2vax s TYR 91 Cb -0.31 -3.36 -0.09 0.00 -1.52 0.00 0.00 41.96 36.69 2vax s TYR 91 CO 0.34 -2.02 1.32 -0.51 0.02 0.00 0.00 175.55 174.70 2vax s LEU 92 N -4.41 4.21 0.00 -1.29 1.43 -1.26 -2.79 118.68 114.57 2vax s LEU 92 Ca 0.73 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 56.52 2vax s LEU 92 Cb -0.26 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2vax s LEU 92 CO 0.36 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.67 2vax n GLY 93 N 0.66 0.86 3.87 -3.19 0.00 0.24 -4.88 105.19 102.74 2vax n GLY 93 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2vax n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vax s SER 94 N -2.63 6.47 0.00 1.61 0.15 -1.12 -4.45 113.70 113.73 2vax s SER 94 Ca 0.00 1.29 0.30 0.00 0.70 0.00 0.00 55.95 58.24 2vax s SER 94 Cb 0.00 -2.40 1.60 0.00 -1.71 0.00 0.00 66.02 63.51 2vax s SER 94 CO 0.00 -0.56 2.05 -0.81 1.20 0.00 0.00 173.24 175.12 2vax n PRO 95 N -1.75 1.22 -1.19 5.44 -0.04 -1.26 -4.36 135.00 133.04 2vax n PRO 95 Ca 0.04 -0.31 -0.23 0.00 -0.04 0.00 0.00 63.50 62.96 2vax n PRO 95 Cb 0.54 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.69 2vax n PRO 95 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2vax n PHE 96 N -0.61 2.87 0.00 0.54 3.72 -1.26 -3.33 117.46 119.38 2vax n PHE 96 Ca 0.22 -1.90 0.00 0.00 -0.05 0.00 0.00 57.45 55.72 2vax n PHE 96 Cb 0.19 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.80 2vax n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vax n GLY 97 N -1.13 3.68 3.71 1.37 0.00 -1.26 -4.82 105.19 106.73 2vax n GLY 97 Ca 0.57 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 2vax n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vax s SER 98 N 0.00 3.30 0.27 1.61 0.01 -1.26 -4.22 113.70 113.40 2vax s SER 98 Ca 0.00 1.43 -0.31 0.00 1.31 0.00 0.00 55.95 58.39 2vax s SER 98 Cb 0.00 -2.11 -0.12 0.00 0.21 0.00 0.00 66.02 64.00 2vax s SER 98 CO 0.00 -2.74 1.57 0.00 0.41 0.00 0.00 173.24 172.48 2vax n ALA 99 N -3.94 2.22 -3.25 1.44 0.00 -0.18 -4.65 120.51 112.13 2vax n ALA 99 Ca 0.07 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.92 2vax n ALA 99 Cb 0.56 -2.42 0.01 0.00 0.00 0.00 0.00 19.45 17.59 2vax n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vax n GLY 100 N 2.44 1.01 0.48 0.00 0.00 -1.26 0.79 105.19 108.65 2vax n GLY 100 Ca 0.11 -0.97 0.30 0.00 0.00 0.00 0.00 46.02 45.46 2vax n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vax h PRO 101 N 0.00 0.00 0.00 1.61 0.11 -1.80 -0.31 132.00 131.61 2vax h PRO 101 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2vax h PRO 101 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2vax h PRO 101 CO 0.10 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 177.57 2vax s SER 103 N -3.40 6.38 0.27 0.00 1.04 -0.13 -4.74 113.70 113.12 2vax s SER 103 Ca 0.11 0.55 -0.31 0.00 0.48 0.00 0.00 55.95 56.79 2vax s SER 103 Cb 0.17 -2.08 -0.12 0.00 0.10 0.00 0.00 66.02 64.09 2vax s SER 103 CO 0.64 -0.18 1.50 -2.65 0.98 0.00 0.00 173.24 173.53 2vax n PRO 104 N -1.11 2.37 -2.81 4.02 -0.02 -1.26 -1.36 135.00 134.84 2vax n PRO 104 Ca -0.03 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.86 2vax n PRO 104 Cb 0.54 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 2vax n PRO 104 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2vax s ASP 105 N 0.40 6.66 0.00 2.55 -1.08 0.35 -4.65 116.67 120.89 2vax s ASP 105 Ca 0.66 0.52 0.00 0.00 -0.52 0.00 0.00 52.55 53.22 2vax s ASP 105 Cb -0.57 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.42 2vax s ASP 105 CO 0.49 -0.88 0.79 -0.81 0.52 0.00 0.00 175.17 175.28 2vax n PRO 106 N 6.83 0.00 -3.07 4.34 -0.04 -1.26 -3.14 135.00 138.66 2vax n PRO 106 Ca 0.07 0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 63.41 2vax n PRO 106 Cb 0.48 -1.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 2vax n PRO 106 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2vax n ASP 107 N -1.29 6.25 0.00 3.54 8.00 -1.26 -5.05 116.55 126.73 2vax n ASP 107 Ca 0.00 -3.35 0.00 0.00 0.71 0.00 0.00 54.79 52.15 2vax n ASP 107 Cb 0.06 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 2vax n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vax n ALA 108 N 1.57 0.00 0.00 2.24 0.00 -1.19 -5.13 120.51 118.00 2vax n ALA 108 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2vax n ALA 108 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2vax n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vax n ARG 112 N 0.00 0.00 -1.65 0.00 1.74 -1.25 -5.04 116.66 110.45 2vax n ARG 112 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2vax n ARG 112 Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.51 2vax n ARG 112 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2vax s PRO 113 N -3.87 2.47 0.31 5.56 0.04 -1.26 -0.50 135.00 137.76 2vax s PRO 113 Ca 0.00 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.87 2vax s PRO 113 Cb 0.00 -1.87 0.77 0.00 0.04 0.00 0.00 34.50 33.43 2vax s PRO 113 CO 0.00 -1.58 1.78 1.88 0.04 0.00 0.00 177.00 179.12 2vax h TYR 114 N 0.13 1.04 0.00 0.56 -1.99 -1.22 -3.41 116.97 112.08 2vax h TYR 114 Ca -0.49 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.28 2vax h TYR 114 Cb 1.29 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 39.71 2vax h TYR 114 CO 0.47 0.22 0.00 0.41 -0.00 0.00 0.00 178.16 179.27 2vax n GLY 115 N -1.34 3.31 0.05 3.88 0.00 0.44 -1.56 105.19 109.97 2vax n GLY 115 Ca 0.23 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2vax n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vax n ALA 116 N 10.64 1.77 0.27 4.61 0.00 -1.25 -3.14 120.51 133.41 2vax n ALA 116 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.51 2vax n ALA 116 Cb 0.00 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 18.37 2vax n ALA 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2vax n LYS 117 N -1.77 2.32 -2.04 0.00 4.76 -0.60 -4.92 118.16 115.91 2vax n LYS 117 Ca 0.04 -1.93 -0.42 0.00 -2.87 0.00 0.00 58.31 53.12 2vax n LYS 117 Cb 0.22 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 2vax n LYS 117 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2vax s PHE 118 N -1.34 2.69 0.79 2.13 2.19 -1.19 -4.95 117.98 118.30 2vax s PHE 118 Ca 0.36 0.56 -0.14 0.00 0.33 0.00 0.00 56.93 58.03 2vax s PHE 118 Cb 0.19 -3.85 0.07 0.00 -1.31 0.00 0.00 43.02 38.13 2vax s PHE 118 CO 0.23 -3.27 1.21 -2.30 1.83 0.00 0.00 175.22 172.93 2vax n PRO 119 N 5.21 0.30 -2.06 10.12 -0.02 -1.26 -4.94 135.00 142.34 2vax n PRO 119 Ca 0.14 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2vax n PRO 119 Cb 0.41 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 2vax n PRO 119 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2vax s ARG 120 N -4.02 4.30 0.17 -0.52 0.52 -1.26 -5.01 118.95 113.13 2vax s ARG 120 Ca 0.75 2.25 0.08 0.00 -0.52 0.00 0.00 55.73 58.29 2vax s ARG 120 Cb -0.30 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 2vax s ARG 120 CO 0.49 -0.34 -0.17 0.95 0.02 0.00 0.00 175.30 176.25 2vax s THR 121 N -0.27 1.75 0.36 0.02 -4.23 -1.26 -4.84 115.64 107.17 2vax s THR 121 Ca 0.56 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.20 2vax s THR 121 Cb -0.41 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 2vax s THR 121 CO 0.45 -0.38 0.22 0.42 -0.54 0.00 0.00 174.62 174.79 2vax s THR 122 N -2.23 2.95 0.19 3.99 -4.23 -1.26 -4.39 115.64 110.66 2vax s THR 122 Ca 0.16 -1.56 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 2vax s THR 122 Cb -0.05 -3.03 0.10 0.00 1.34 0.00 0.00 72.50 70.87 2vax s THR 122 CO 0.06 -0.12 1.77 0.40 -0.54 0.00 0.00 174.62 176.20 2vax h ILE 123 N 1.37 0.90 -0.46 2.99 1.08 -1.88 -2.15 117.51 119.37 2vax h ILE 123 Ca -0.43 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 2vax h ILE 123 Cb 1.26 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 2vax h ILE 123 CO 0.62 0.09 0.31 0.03 -0.69 0.00 0.00 178.15 178.51 2vax h ARG 124 N 0.49 0.60 -0.43 2.37 3.08 -1.95 -1.54 114.38 116.99 2vax h ARG 124 Ca 0.25 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2vax h ARG 124 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2vax h ARG 124 CO -0.20 0.40 0.23 -0.44 -1.07 0.00 0.00 179.97 178.89 2vax h ASP 125 N 0.62 0.55 -0.27 7.04 3.32 -1.79 -1.83 116.42 124.06 2vax h ASP 125 Ca 0.17 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2vax h ASP 125 Cb -0.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2vax h ASP 125 CO -0.04 0.48 0.14 0.44 -1.72 0.00 0.00 179.24 178.55 2vax h ASP 126 N 0.56 0.34 -0.98 6.45 3.32 -0.89 -1.47 116.42 123.76 2vax h ASP 126 Ca 0.15 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.15 2vax h ASP 126 Cb 0.06 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 2vax h ASP 126 CO -0.02 0.33 0.64 0.58 -1.72 0.00 0.00 179.24 179.05 2vax h VAL 127 N 0.31 1.15 -0.06 -1.35 2.07 -1.25 -0.56 116.25 116.56 2vax h VAL 127 Ca 0.09 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2vax h VAL 127 Cb 0.07 -0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.68 2vax h VAL 127 CO -0.01 0.22 -0.36 0.03 0.02 0.00 0.00 177.57 177.46 2vax h ARG 128 N 1.21 0.36 -0.19 1.57 3.08 -0.95 -0.77 114.38 118.69 2vax h ARG 128 Ca 0.40 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 2vax h ARG 128 Cb 0.05 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2vax h ARG 128 CO -0.13 0.95 -0.38 0.97 -1.07 0.00 0.00 179.97 180.30 2vax h ILE 129 N -0.14 1.30 -0.47 2.04 2.10 -1.25 -2.57 117.51 118.52 2vax h ILE 129 Ca -0.03 -1.51 0.00 0.00 1.08 0.00 0.00 64.86 64.41 2vax h ILE 129 Cb 1.02 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 38.31 2vax h ILE 129 CO 0.07 0.47 0.30 0.45 -1.08 0.00 0.00 178.15 178.36 2vax h HIS 130 N 0.35 0.61 -0.78 2.19 3.86 -1.03 -2.43 115.15 117.90 2vax h HIS 130 Ca 0.03 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.33 2vax h HIS 130 Cb 0.83 -0.20 -0.07 0.00 1.06 0.00 0.00 27.41 29.04 2vax h HIS 130 CO 0.02 0.40 0.45 -0.09 0.86 0.00 0.00 177.93 179.58 2vax h ARG 131 N 0.64 0.77 -0.78 2.45 9.65 -0.93 -0.81 114.38 125.37 2vax h ARG 131 Ca 0.17 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.08 2vax h ARG 131 Cb -0.05 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 28.29 2vax h ARG 131 CO -0.04 0.51 0.45 1.96 2.80 0.00 0.00 179.97 185.66 2vax h GLN 132 N 0.80 0.78 -0.17 0.20 4.20 -1.05 0.10 115.11 119.96 2vax h GLN 132 Ca 0.36 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 2vax h GLN 132 Cb 0.27 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2vax h GLN 132 CO -0.21 0.51 0.03 0.28 -0.67 0.00 0.00 178.83 178.77 2vax h VAL 133 N 0.80 1.22 -0.65 -0.54 2.07 -0.87 -1.69 116.25 116.59 2vax h VAL 133 Ca 0.36 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 67.30 2vax h VAL 133 Cb 0.26 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2vax h VAL 133 CO -0.21 0.21 0.44 -0.07 0.02 0.00 0.00 177.57 177.96 2vax h LEU 134 N 0.08 0.38 -0.36 2.57 3.38 -0.37 -1.13 115.31 119.86 2vax h LEU 134 Ca 0.05 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2vax h LEU 134 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2vax h LEU 134 CO 0.00 0.22 -0.00 0.44 0.09 0.00 0.00 178.44 179.19 2vax h ASP 135 N 0.42 0.63 -0.14 -0.43 3.32 -0.29 -1.54 116.42 118.38 2vax h ASP 135 Ca 0.31 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2vax h ASP 135 Cb 0.64 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2vax h ASP 135 CO -0.09 0.78 0.04 0.03 -1.72 0.00 0.00 179.24 178.28 2vax h ARG 136 N 0.45 0.29 0.00 3.56 3.08 -0.35 -1.19 114.38 120.22 2vax h ARG 136 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2vax h ARG 136 Cb 0.46 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2vax h ARG 136 CO 0.02 0.28 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 2vax n LEU 137 N -4.41 0.00 0.00 3.04 4.77 -0.54 -4.90 117.00 114.96 2vax n LEU 137 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2vax n LEU 137 Cb 0.15 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2vax n LEU 137 CO 0.36 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2vax n GLY 138 N 0.81 0.58 3.75 -0.72 0.00 -0.45 -5.03 105.19 104.12 2vax n GLY 138 Ca 0.05 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2vax n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vax s VAL 139 N -2.00 2.84 -0.04 1.61 1.01 -0.62 -4.88 120.40 118.32 2vax s VAL 139 Ca 0.00 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.78 2vax s VAL 139 Cb 0.00 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 2vax s VAL 139 CO 0.00 0.12 0.12 0.54 0.00 0.00 0.00 175.10 175.88 2vax n ARG 140 N 2.24 1.30 -3.69 2.72 1.74 -0.01 -4.68 116.66 116.27 2vax n ARG 140 Ca 0.06 -0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 56.95 2vax n ARG 140 Cb 0.41 -1.21 -0.08 0.00 -1.02 0.00 0.00 32.46 30.56 2vax n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2vax s GLN 141 N -2.44 0.71 -0.27 5.56 0.74 -1.05 -4.86 119.66 118.06 2vax s GLN 141 Ca -0.04 0.22 -0.08 0.00 0.05 0.00 0.00 55.36 55.51 2vax s GLN 141 Cb 0.04 0.33 -0.02 0.00 1.10 0.00 0.00 33.01 34.47 2vax s GLN 141 CO 0.35 -0.17 0.09 0.42 -0.55 0.00 0.00 175.29 175.43 2vax s ILE 142 N -0.73 4.32 0.19 -2.34 1.01 0.57 -3.78 121.20 120.44 2vax s ILE 142 Ca -0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2vax s ILE 142 Cb -0.03 -3.09 0.07 0.00 0.01 0.00 0.00 42.46 39.42 2vax s ILE 142 CO 0.04 0.25 1.65 0.00 0.00 0.00 0.00 174.94 176.88 2vax h ALA 143 N 8.26 0.85 -1.95 9.38 0.00 -0.44 -0.04 119.26 135.32 2vax h ALA 143 Ca -0.36 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 2vax h ALA 143 Cb 1.16 -0.23 -0.20 0.00 0.00 0.00 0.00 17.79 18.52 2vax h ALA 143 CO 0.59 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.72 2vax s ALA 144 N -5.05 -1.79 -0.14 0.00 0.00 -1.22 -2.99 121.76 110.56 2vax s ALA 144 Ca -0.12 1.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 2vax s ALA 144 Cb 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2vax s ALA 144 CO 0.86 -0.35 -0.12 0.08 0.00 0.00 0.00 175.76 176.22 2vax s VAL 145 N -0.76 3.04 -0.07 0.00 1.01 -0.54 -1.04 120.40 122.04 2vax s VAL 145 Ca -0.07 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2vax s VAL 145 Cb -0.01 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2vax s VAL 145 CO 0.07 0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 174.87 2vax s VAL 146 N 0.50 1.19 -0.16 2.92 1.01 0.23 0.54 120.40 126.63 2vax s VAL 146 Ca -0.09 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 2vax s VAL 146 Cb -0.16 -1.09 0.08 0.00 0.00 0.00 0.00 36.38 35.22 2vax s VAL 146 CO 0.04 0.37 0.78 -0.83 0.00 0.00 0.00 175.10 175.46 2vax s GLY 147 N 0.72 -0.48 -0.29 4.51 0.00 -0.70 -0.83 107.32 110.25 2vax s GLY 147 Ca -0.13 1.80 0.09 0.00 0.00 0.00 0.00 44.72 46.48 2vax s GLY 147 CO 0.03 1.32 1.18 0.00 0.00 0.00 0.00 173.10 175.63 2vax n ALA 148 N 1.60 4.71 0.00 3.20 0.00 -1.25 -0.19 120.51 128.59 2vax n ALA 148 Ca -0.15 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.60 2vax n ALA 148 Cb 0.56 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2vax n ALA 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2vax n MET 150 N -0.68 0.00 0.26 0.00 0.00 -1.26 -3.55 117.12 111.88 2vax n MET 150 Ca 0.39 0.00 0.08 0.00 -0.00 0.00 0.00 57.70 58.17 2vax n MET 150 Cb 0.93 0.00 0.65 0.00 0.00 0.00 0.00 33.22 34.80 2vax n MET 150 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2vax h GLY 151 N 0.00 0.00 2.00 -5.12 0.00 -1.68 -0.08 103.07 98.18 2vax h GLY 151 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2vax h GLY 151 CO 0.00 0.00 -0.25 -1.33 0.00 0.00 0.00 176.54 174.96 2vax h GLY 152 N 0.00 0.00 0.80 4.60 0.00 -1.58 0.37 103.07 107.25 2vax h GLY 152 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 2vax h GLY 152 CO -0.00 0.00 -0.67 -0.33 0.00 0.00 0.00 176.54 175.54 2vax h MET 153 N 0.00 0.41 -0.30 4.80 2.86 -1.27 -1.61 114.93 119.82 2vax h MET 153 Ca -0.00 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2vax h MET 153 Cb 0.71 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 2vax h MET 153 CO 0.03 1.14 0.17 0.45 1.06 0.00 0.00 176.91 179.76 2vax h HIS 154 N -0.12 0.40 -0.39 -0.22 -0.00 -1.36 -2.20 115.15 111.26 2vax h HIS 154 Ca -0.09 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.35 2vax h HIS 154 Cb 1.40 -0.13 -0.09 0.00 -0.00 0.00 0.00 27.41 28.59 2vax h HIS 154 CO 0.15 0.31 -0.27 1.15 -0.00 0.00 0.00 177.93 179.28 2vax h THR 155 N 0.37 0.31 -0.73 2.45 2.02 -0.91 0.20 112.91 116.62 2vax h THR 155 Ca 0.11 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.36 2vax h THR 155 Cb 0.04 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 2vax h THR 155 CO -0.02 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 176.28 2vax h LEU 156 N -0.20 0.64 -0.23 2.58 3.38 -1.19 -2.51 115.31 117.77 2vax h LEU 156 Ca 0.18 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 2vax h LEU 156 Cb 0.49 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2vax h LEU 156 CO -0.51 0.40 -0.81 -0.33 0.09 0.00 0.00 178.44 177.29 2vax h GLU 157 N 0.72 0.60 -0.99 1.13 4.39 -0.43 -3.10 114.58 116.91 2vax h GLU 157 Ca 0.32 -0.53 0.14 0.00 0.34 0.00 0.00 59.36 59.63 2vax h GLU 157 Cb 0.32 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 2vax h GLU 157 CO -0.11 1.15 0.61 -1.49 -1.16 0.00 0.00 179.01 178.01 2vax h TRP 158 N 0.40 1.10 -0.59 4.33 4.06 -0.26 -2.27 115.95 122.72 2vax h TRP 158 Ca -0.06 0.03 0.17 0.00 2.06 0.00 0.00 58.89 61.10 2vax h TRP 158 Cb 1.42 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 29.22 2vax h TRP 158 CO 0.07 0.38 0.50 0.00 -3.56 0.00 0.00 178.44 175.83 2vax h ALA 159 N 1.56 2.42 0.00 1.49 0.00 -1.42 -1.81 119.26 121.51 2vax h ALA 159 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2vax h ALA 159 Cb 0.59 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2vax h ALA 159 CO -0.30 -0.80 0.00 1.19 0.00 0.00 0.00 179.25 179.34 2vax n PHE 160 N -4.01 0.00 0.38 0.00 3.01 -0.86 -1.34 117.46 114.64 2vax n PHE 160 Ca 0.11 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.71 2vax n PHE 160 Cb 0.73 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 40.69 2vax n PHE 160 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 2vax h PHE 161 N 0.00 0.00 0.00 1.38 0.05 -1.52 -3.49 116.94 113.36 2vax h PHE 161 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2vax h PHE 161 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 2vax h PHE 161 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 2vax n GLY 162 N 0.40 0.98 0.08 -1.45 0.00 -0.45 -4.47 105.19 100.28 2vax n GLY 162 Ca 0.03 -1.87 0.10 0.00 0.00 0.00 0.00 46.02 44.28 2vax n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vax n PRO 163 N 1.21 0.13 -0.12 1.61 -0.04 -1.25 -1.50 135.00 135.04 2vax n PRO 163 Ca 0.00 0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.71 2vax n PRO 163 Cb 0.00 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 2vax n PRO 163 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2vax h GLU 164 N 0.00 0.62 0.04 0.54 4.81 -1.98 -3.37 114.58 115.24 2vax h GLU 164 Ca 0.00 -0.19 -0.38 0.00 -0.13 0.00 0.00 59.36 58.66 2vax h GLU 164 Cb 0.35 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2vax h GLU 164 CO 0.00 0.72 -2.33 0.98 -0.73 0.00 0.00 179.01 177.65 2vax n TYR 165 N -4.52 0.38 -4.02 0.92 9.36 -1.02 -4.88 117.16 113.37 2vax n TYR 165 Ca -0.01 0.08 -0.34 0.00 3.32 0.00 0.00 57.90 60.95 2vax n TYR 165 Cb 0.26 -1.05 -0.15 0.00 -0.63 0.00 0.00 39.34 37.77 2vax n TYR 165 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2vax s VAL 166 N -2.53 2.56 0.01 2.97 1.01 -0.56 -0.32 120.40 123.54 2vax s VAL 166 Ca -0.32 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.62 2vax s VAL 166 Cb 0.09 -2.24 -0.28 0.00 0.00 0.00 0.00 36.38 33.95 2vax s VAL 166 CO 0.64 0.32 0.87 0.03 0.00 0.00 0.00 175.10 176.95 2vax h ARG 167 N 7.97 0.27 -3.20 2.72 3.08 -1.17 -3.33 114.38 120.72 2vax h ARG 167 Ca -0.37 -0.46 -0.11 0.00 0.07 0.00 0.00 59.98 59.11 2vax h ARG 167 Cb 1.12 0.17 -0.19 0.00 0.08 0.00 0.00 29.97 31.15 2vax h ARG 167 CO 0.59 1.14 -0.30 0.15 -1.07 0.00 0.00 179.97 180.48 2vax s LYS 168 N -2.62 0.69 0.08 0.04 1.02 -1.16 -4.01 119.74 113.78 2vax s LYS 168 Ca -0.09 -0.34 0.07 0.00 0.02 0.00 0.00 55.97 55.63 2vax s LYS 168 Cb 0.07 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.65 2vax s LYS 168 CO 0.86 -0.20 -0.19 0.96 -0.92 0.00 0.00 175.35 175.86 2vax s ILE 169 N -1.78 1.56 -0.48 2.17 -4.36 -0.87 -1.46 121.20 115.98 2vax s ILE 169 Ca -0.11 -1.38 0.03 0.00 -0.26 0.00 0.00 60.65 58.94 2vax s ILE 169 Cb -0.04 -1.41 0.16 0.00 1.25 0.00 0.00 42.46 42.42 2vax s ILE 169 CO 0.01 -0.02 0.34 -0.69 0.24 0.00 0.00 174.94 174.83 2vax s VAL 170 N -1.07 1.08 -0.00 8.37 1.01 0.19 -1.77 120.40 128.20 2vax s VAL 170 Ca 0.05 -2.91 -0.29 0.00 0.00 0.00 0.00 61.98 58.83 2vax s VAL 170 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2vax s VAL 170 CO 0.03 -1.10 0.96 -2.16 0.00 0.00 0.00 175.10 172.83 2vax s PRO 171 N -0.13 4.56 -0.10 2.72 0.04 -1.18 -1.72 135.00 139.19 2vax s PRO 171 Ca 0.27 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.71 2vax s PRO 171 Cb -0.06 -3.45 0.01 0.00 0.04 0.00 0.00 34.50 31.04 2vax s PRO 171 CO -0.14 -0.03 -0.17 0.42 0.04 0.00 0.00 177.00 177.13 2vax s ILE 172 N 0.94 1.56 -0.96 0.56 1.01 0.74 -2.55 121.20 122.50 2vax s ILE 172 Ca 0.51 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 2vax s ILE 172 Cb -0.21 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 2vax s ILE 172 CO 0.27 0.45 0.72 0.00 0.00 0.00 0.00 174.94 176.38 2vax n ALA 173 N 3.96 -2.61 -3.75 9.38 0.00 -0.15 -4.03 120.51 123.31 2vax n ALA 173 Ca -0.20 -0.20 -0.06 0.00 0.00 0.00 0.00 53.44 52.98 2vax n ALA 173 Cb 0.52 -2.56 -0.00 0.00 0.00 0.00 0.00 19.45 17.40 2vax n ALA 173 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2vax n THR 174 N -3.21 0.00 -4.13 0.00 5.66 -1.26 -4.74 114.28 106.60 2vax n THR 174 Ca -0.13 -1.15 -0.09 0.00 -3.05 0.00 0.00 64.05 59.63 2vax n THR 174 Cb 0.60 0.85 -0.10 0.00 -1.55 0.00 0.00 70.33 70.13 2vax n THR 174 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2vax s SER 175 N -2.73 0.44 0.35 1.09 1.04 -1.26 -4.79 113.70 107.84 2vax s SER 175 Ca 0.19 -1.13 0.26 0.00 0.48 0.00 0.00 55.95 55.75 2vax s SER 175 Cb -0.02 0.25 0.87 0.00 0.10 0.00 0.00 66.02 67.22 2vax s SER 175 CO 0.14 -0.67 1.77 0.00 0.98 0.00 0.00 173.24 175.46 2vax s ARG 177 N -3.31 0.86 0.21 0.00 3.52 -1.26 -1.21 118.95 117.76 2vax s ARG 177 Ca 0.06 0.12 -0.32 0.00 -0.13 0.00 0.00 55.73 55.45 2vax s ARG 177 Cb 0.09 0.40 -0.13 0.00 -1.56 0.00 0.00 34.95 33.75 2vax s ARG 177 CO 0.55 -0.29 1.51 0.94 -0.81 0.00 0.00 175.30 177.20 2vax n GLN 178 N 0.65 2.18 -4.05 5.12 -0.06 -0.42 -4.96 117.38 115.84 2vax n GLN 178 Ca -0.14 0.78 -0.22 0.00 -2.00 0.00 0.00 57.00 55.42 2vax n GLN 178 Cb 0.58 -2.51 -0.04 0.00 -4.06 0.00 0.00 30.24 24.21 2vax n GLN 178 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2vax s SER 179 N 0.61 5.42 0.28 1.69 1.04 -1.26 -5.01 113.70 116.46 2vax s SER 179 Ca 0.73 -0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.79 2vax s SER 179 Cb -0.64 -1.27 0.38 0.00 0.10 0.00 0.00 66.02 64.59 2vax s SER 179 CO 0.44 -0.12 1.94 1.23 0.98 0.00 0.00 173.24 177.71 2vax h GLY 180 N 1.45 1.32 0.78 7.32 0.00 -1.99 -1.24 103.07 110.71 2vax h GLY 180 Ca -0.47 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.36 2vax h GLY 180 CO 0.60 0.44 -0.43 -0.25 0.00 0.00 0.00 176.54 176.90 2vax h TRP 181 N 1.21 -1.14 -0.56 5.60 -0.00 -1.97 -0.66 115.95 118.43 2vax h TRP 181 Ca 0.35 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 59.16 2vax h TRP 181 Cb -0.07 0.41 -0.02 0.00 -0.00 0.00 0.00 29.16 29.48 2vax h TRP 181 CO -0.00 -0.63 0.07 0.00 -0.00 0.00 0.00 178.44 177.88 2vax h ALA 183 N 0.99 1.20 -0.35 0.00 0.00 -1.12 -1.27 119.26 118.71 2vax h ALA 183 Ca 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2vax h ALA 183 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2vax h ALA 183 CO 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.17 2vax h ALA 184 N 1.51 0.48 -0.47 0.00 0.00 -0.48 0.53 119.26 120.83 2vax h ALA 184 Ca 0.43 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2vax h ALA 184 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2vax h ALA 184 CO -0.32 0.29 0.14 -1.49 0.00 0.00 0.00 179.25 177.87 2vax h TRP 185 N 0.45 0.76 -0.06 0.00 4.06 -0.91 -0.77 115.95 119.47 2vax h TRP 185 Ca 0.09 -0.08 -0.20 0.00 2.06 0.00 0.00 58.89 60.77 2vax h TRP 185 Cb 0.53 -0.22 -0.00 0.00 -1.00 0.00 0.00 29.16 28.47 2vax h TRP 185 CO 0.04 0.68 -0.79 0.74 -3.56 0.00 0.00 178.44 175.55 2vax h PHE 186 N 0.62 0.59 -0.27 0.49 -1.00 -1.20 -2.17 116.94 114.02 2vax h PHE 186 Ca 0.15 -0.28 -0.02 0.00 2.81 0.00 0.00 57.97 60.63 2vax h PHE 186 Cb 0.28 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 2vax h PHE 186 CO 0.01 1.06 0.11 1.49 -1.61 0.00 0.00 178.31 179.37 2vax h GLU 187 N 0.28 0.40 -0.76 1.51 4.57 -0.86 0.55 114.58 120.27 2vax h GLU 187 Ca -0.05 -0.07 0.17 0.00 -1.18 0.00 0.00 59.36 58.23 2vax h GLU 187 Cb 1.39 -0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 29.78 2vax h GLU 187 CO 0.14 0.43 -0.07 1.15 -1.18 0.00 0.00 179.01 179.48 2vax h THR 188 N 0.28 0.30 -0.23 0.32 2.02 -1.14 0.31 112.91 114.78 2vax h THR 188 Ca 0.09 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2vax h THR 188 Cb 0.18 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2vax h THR 188 CO -0.01 0.01 0.10 1.56 0.37 0.00 0.00 175.52 177.56 2vax h GLN 189 N 0.06 0.33 -0.76 6.66 4.20 -0.72 -2.14 115.11 122.72 2vax h GLN 189 Ca 0.40 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.06 2vax h GLN 189 Cb 0.67 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2vax h GLN 189 CO -0.71 0.35 0.51 0.00 -0.67 0.00 0.00 178.83 178.30 2vax h ARG 190 N 0.23 1.01 -0.80 1.46 3.08 -0.19 -2.06 114.38 117.10 2vax h ARG 190 Ca 0.08 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.14 2vax h ARG 190 Cb 0.13 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 2vax h ARG 190 CO -0.01 0.67 0.52 1.96 -1.07 0.00 0.00 179.97 182.04 2vax h GLN 191 N 1.04 0.81 -0.92 0.04 4.20 0.11 0.26 115.11 120.64 2vax h GLN 191 Ca 0.28 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 59.08 2vax h GLN 191 Cb -0.12 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.40 2vax h GLN 191 CO -0.06 0.53 0.59 0.00 -0.67 0.00 0.00 178.83 179.22 2vax h ILE 193 N 0.78 1.54 -0.97 0.00 2.04 -0.76 -3.13 117.51 117.01 2vax h ILE 193 Ca 0.46 -2.04 0.15 0.00 1.00 0.00 0.00 64.86 64.43 2vax h ILE 193 Cb 0.65 2.82 -0.09 0.00 -0.74 0.00 0.00 36.82 39.46 2vax h ILE 193 CO -0.23 0.56 0.61 1.88 0.00 0.00 0.00 178.15 180.98 2vax h TYR 194 N -0.46 1.02 -0.00 1.37 0.05 -0.00 -1.53 116.97 117.41 2vax h TYR 194 Ca -0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2vax h TYR 194 Cb 1.10 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.52 2vax h TYR 194 CO 0.18 0.35 -0.06 -0.25 -1.05 0.00 0.00 178.16 177.33 2vax n ASP 195 N -4.63 0.19 -4.66 3.88 8.00 0.19 -4.74 116.55 114.78 2vax n ASP 195 Ca 0.20 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.00 2vax n ASP 195 Cb 0.45 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 2vax n ASP 195 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vax s ASP 196 N -2.58 7.05 0.26 -2.24 -1.08 -0.58 -4.90 116.67 112.60 2vax s ASP 196 Ca 0.27 1.49 0.21 0.00 -0.52 0.00 0.00 52.55 54.00 2vax s ASP 196 Cb 0.20 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 40.12 2vax s ASP 196 CO 0.48 -0.70 1.63 -0.81 0.52 0.00 0.00 175.17 176.29 2vax n PRO 197 N 6.41 0.15 0.03 4.34 -0.04 -1.26 -1.02 135.00 143.60 2vax n PRO 197 Ca 0.13 0.53 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 2vax n PRO 197 Cb 0.46 -1.88 0.56 0.00 -0.04 0.00 0.00 33.50 32.60 2vax n PRO 197 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2vax n LYS 198 N -2.17 0.07 -0.24 0.54 5.02 -1.26 -3.81 118.16 116.31 2vax n LYS 198 Ca 0.00 0.05 -0.08 0.00 -2.02 0.00 0.00 58.31 56.27 2vax n LYS 198 Cb 0.12 -1.58 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 2vax n LYS 198 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2vax h TYR 199 N 0.00 1.15 -6.42 2.13 5.03 -1.35 -3.40 116.97 114.11 2vax h TYR 199 Ca 0.00 -0.15 -0.49 0.00 2.58 0.00 0.00 58.73 60.67 2vax h TYR 199 Cb 0.56 -0.32 -0.08 0.00 1.55 0.00 0.00 36.73 38.44 2vax h TYR 199 CO 0.00 0.95 -0.79 1.28 -1.32 0.00 0.00 178.16 178.29 2vax n LEU 200 N -4.25 -2.34 -0.81 2.82 4.77 -1.25 -0.91 117.00 115.03 2vax n LEU 200 Ca 0.04 -0.85 -0.11 0.00 -0.03 0.00 0.00 56.01 55.07 2vax n LEU 200 Cb 0.28 -2.43 -0.05 0.00 -2.33 0.00 0.00 43.42 38.89 2vax n LEU 200 CO 0.42 0.42 -0.10 0.47 -1.33 0.00 0.00 177.39 177.27 2vax n ASP 201 N -2.80 -4.41 0.00 -1.43 9.92 -1.26 -2.06 116.55 114.50 2vax n ASP 201 Ca 0.02 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 2vax n ASP 201 Cb 0.53 -2.84 0.00 0.00 -0.64 0.00 0.00 41.12 38.17 2vax n ASP 201 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vax n GLY 202 N -1.50 0.64 1.17 0.44 0.00 -0.09 -4.90 105.19 100.95 2vax n GLY 202 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2vax n GLY 202 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vax n GLU 203 N -2.02 2.50 -1.55 1.61 -0.58 -0.87 -3.91 120.64 115.82 2vax n GLU 203 Ca 0.00 -2.29 -0.42 0.00 -0.42 0.00 0.00 57.16 54.03 2vax n GLU 203 Cb 0.00 -1.52 0.01 0.00 -0.57 0.00 0.00 31.44 29.36 2vax n GLU 203 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 2vax n TYR 204 N 1.43 0.52 -2.34 -0.32 0.18 -1.17 -4.92 117.16 110.54 2vax n TYR 204 Ca 0.21 0.58 -0.41 0.00 1.88 0.00 0.00 57.90 60.16 2vax n TYR 204 Cb 0.58 -2.13 -0.03 0.00 -0.38 0.00 0.00 39.34 37.37 2vax n TYR 204 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2vax s ASP 205 N -0.84 7.07 0.63 9.48 2.15 -1.26 -4.91 116.67 128.99 2vax s ASP 205 Ca 0.64 2.36 0.30 0.00 0.43 0.00 0.00 52.55 56.27 2vax s ASP 205 Cb -0.58 -2.62 1.60 0.00 -0.30 0.00 0.00 42.92 41.02 2vax s ASP 205 CO 0.57 -0.34 1.94 1.62 -0.17 0.00 0.00 175.17 178.79 2vax h VAL 206 N 3.37 0.17 -0.34 1.11 3.04 -2.00 0.24 116.25 121.85 2vax h VAL 206 Ca -0.46 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2vax h VAL 206 Cb 1.22 0.68 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 2vax h VAL 206 CO 0.70 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.73 2vax n ASP 207 N -3.27 4.35 -3.19 3.17 8.00 -1.26 -4.40 116.55 119.95 2vax n ASP 207 Ca 0.02 -3.01 -0.18 0.00 0.71 0.00 0.00 54.79 52.33 2vax n ASP 207 Cb 0.46 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 2vax n ASP 207 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2vax n ASP 208 N -0.24 0.85 -4.73 -2.24 2.03 0.85 -5.14 116.55 107.93 2vax n ASP 208 Ca 0.23 -3.01 -0.34 0.00 0.52 0.00 0.00 54.79 52.19 2vax n ASP 208 Cb 0.97 -0.62 0.08 0.00 -0.72 0.00 0.00 41.12 40.83 2vax n ASP 208 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2vax s GLN 209 N -2.40 2.35 -1.04 -0.67 -1.52 -1.25 -4.41 119.66 110.73 2vax s GLN 209 Ca 0.40 1.70 -0.22 0.00 -1.95 0.00 0.00 55.36 55.29 2vax s GLN 209 Cb 0.34 -1.87 -0.10 0.00 -0.22 0.00 0.00 33.01 31.17 2vax s GLN 209 CO -0.08 -1.66 1.93 -0.35 -0.25 0.00 0.00 175.29 174.87 2vax n PRO 210 N -2.54 1.74 -0.08 2.91 -0.04 -1.26 -4.74 135.00 130.99 2vax n PRO 210 Ca 0.13 -2.29 -0.07 0.00 -0.04 0.00 0.00 63.50 61.23 2vax n PRO 210 Cb 0.50 -3.37 0.11 0.00 -0.04 0.00 0.00 33.50 30.71 2vax n PRO 210 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2vax h VAL 211 N 5.34 1.27 -0.18 0.52 2.07 -1.92 -1.97 116.25 121.39 2vax h VAL 211 Ca 0.33 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2vax h VAL 211 Cb 0.81 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2vax h VAL 211 CO 1.57 0.42 0.02 0.03 0.02 0.00 0.00 177.57 179.63 2vax h ARG 212 N 0.67 0.30 -0.19 1.57 2.47 -1.97 -0.21 114.38 117.02 2vax h ARG 212 Ca 0.10 -0.09 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 2vax h ARG 212 Cb 0.67 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.90 2vax h ARG 212 CO 0.05 0.48 -0.24 0.78 0.56 0.00 0.00 179.97 181.60 2vax h GLY 213 N 0.07 -0.21 0.78 0.04 0.00 -1.72 -0.23 103.07 101.80 2vax h GLY 213 Ca 0.05 0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.70 2vax h GLY 213 CO 0.01 -0.20 -0.06 1.41 0.00 0.00 0.00 176.54 177.69 2vax h LEU 214 N -0.28 -0.19 -0.53 3.11 3.38 -1.25 0.53 115.31 120.08 2vax h LEU 214 Ca 0.12 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.23 2vax h LEU 214 Cb 0.46 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 2vax h LEU 214 CO -0.35 -0.09 -0.19 -0.33 0.09 0.00 0.00 178.44 177.58 2vax h GLU 215 N -0.09 -0.06 0.04 1.13 5.08 -0.86 -0.70 114.58 119.12 2vax h GLU 215 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2vax h GLU 215 Cb 0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2vax h GLU 215 CO -0.10 -0.04 -0.02 1.15 -1.00 0.00 0.00 179.01 179.00 2vax h THR 216 N -0.06 1.08 -0.80 1.13 2.02 -0.46 0.16 112.91 115.97 2vax h THR 216 Ca 0.25 -0.35 0.16 0.00 0.77 0.00 0.00 66.41 67.23 2vax h THR 216 Cb 0.45 1.31 -0.15 0.00 -1.74 0.00 0.00 68.15 68.02 2vax h THR 216 CO -0.58 0.09 -0.23 0.00 0.37 0.00 0.00 175.52 175.17 2vax h ALA 217 N 0.76 0.45 -0.23 6.16 0.00 -0.68 -1.58 119.26 124.14 2vax h ALA 217 Ca -0.00 0.30 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 2vax h ALA 217 Cb 0.18 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2vax h ALA 217 CO 0.01 -0.45 -0.56 -0.09 0.00 0.00 0.00 179.25 178.16 2vax h ARG 218 N -0.02 0.72 -0.46 0.00 9.65 -0.68 -1.06 114.38 122.52 2vax h ARG 218 Ca 0.37 -0.46 0.07 0.00 -1.10 0.00 0.00 59.98 58.86 2vax h ARG 218 Cb 0.59 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.17 2vax h ARG 218 CO -0.83 1.08 0.11 0.87 2.80 0.00 0.00 179.97 184.00 2vax h LYS 219 N 0.54 0.25 0.45 0.20 1.57 -0.23 0.68 116.57 120.03 2vax h LYS 219 Ca 0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2vax h LYS 219 Cb 1.14 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2vax h LYS 219 CO 0.12 0.16 -0.27 0.82 -0.57 0.00 0.00 179.45 179.71 2vax h ILE 220 N 0.25 0.44 -0.56 1.86 2.04 -1.11 -2.23 117.51 118.20 2vax h ILE 220 Ca 0.23 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.15 2vax h ILE 220 Cb 0.28 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 2vax h ILE 220 CO -0.28 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.11 2vax h ALA 221 N -0.18 0.71 -0.44 1.87 0.00 -0.88 -0.56 119.26 119.79 2vax h ALA 221 Ca -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2vax h ALA 221 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2vax h ALA 221 CO 0.06 -0.14 0.25 -0.91 0.00 0.00 0.00 179.25 178.51 2vax h ASN 222 N 0.46 0.52 0.44 0.00 2.35 0.57 -1.48 115.58 118.45 2vax h ASN 222 Ca 0.26 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.75 2vax h ASN 222 Cb 0.25 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2vax h ASN 222 CO -0.23 0.42 -1.01 -0.07 -1.65 0.00 0.00 177.43 174.89 2vax h LEU 223 N 0.60 0.47 -2.33 1.61 3.38 -0.67 -2.69 115.31 115.69 2vax h LEU 223 Ca 0.16 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2vax h LEU 223 Cb 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2vax h LEU 223 CO -0.03 1.23 -0.02 0.71 0.09 0.00 0.00 178.44 180.42 2vax h THR 224 N 0.17 0.13 0.00 0.22 1.35 -0.47 -1.92 112.91 112.39 2vax h THR 224 Ca -0.09 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2vax h THR 224 Cb 1.67 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2vax h THR 224 CO 0.17 0.02 0.00 -1.22 -0.25 0.00 0.00 175.52 174.24 2vax n TYR 225 N -3.22 0.00 -3.32 4.73 4.01 -0.62 -4.44 117.16 114.31 2vax n TYR 225 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 2vax n TYR 225 Cb 0.17 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 38.71 2vax n TYR 225 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2vax s LYS 226 N -2.97 2.63 0.41 -0.72 -0.14 -0.72 -1.28 119.74 116.94 2vax s LYS 226 Ca 0.14 -1.44 0.07 0.00 -1.36 0.00 0.00 55.97 53.38 2vax s LYS 226 Cb 0.17 -2.54 -0.06 0.00 -1.68 0.00 0.00 37.83 33.73 2vax s LYS 226 CO 0.47 -0.28 0.14 -1.54 -0.76 0.00 0.00 175.35 173.38 2vax s SER 227 N -4.26 4.31 0.01 2.83 1.04 -1.26 -4.55 113.70 111.83 2vax s SER 227 Ca 0.51 -1.13 -0.25 0.00 0.48 0.00 0.00 55.95 55.57 2vax s SER 227 Cb -0.06 -0.47 -0.18 0.00 0.10 0.00 0.00 66.02 65.41 2vax s SER 227 CO 0.30 -0.51 1.38 0.50 0.98 0.00 0.00 173.24 175.89 2vax h LYS 228 N 1.51 -0.12 -0.87 4.02 3.64 -1.90 -2.45 116.57 120.40 2vax h LYS 228 Ca -0.43 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.05 2vax h LYS 228 Cb 1.25 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.04 2vax h LYS 228 CO 0.72 0.20 0.56 -1.35 -2.27 0.00 0.00 179.45 177.31 2vax h PRO 229 N -0.45 0.85 -0.21 1.90 0.11 -1.97 0.89 132.00 133.12 2vax h PRO 229 Ca -0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2vax h PRO 229 Cb 0.38 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2vax h PRO 229 CO 0.02 0.56 0.02 0.00 -0.21 0.00 0.00 178.00 178.40 2vax h ALA 230 N 1.56 0.28 -0.26 -0.75 0.00 -1.69 -1.55 119.26 116.85 2vax h ALA 230 Ca 0.40 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2vax h ALA 230 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2vax h ALA 230 CO -0.16 -0.04 -0.32 0.52 0.00 0.00 0.00 179.25 179.25 2vax h MET 231 N 0.13 0.54 -0.82 0.00 2.86 -0.98 -2.43 114.93 114.23 2vax h MET 231 Ca 0.06 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2vax h MET 231 Cb 0.34 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2vax h MET 231 CO 0.01 0.79 0.47 -0.44 1.06 0.00 0.00 176.91 178.80 2vax h ASP 232 N 0.46 1.00 -0.10 1.22 3.32 -0.67 -0.66 116.42 121.00 2vax h ASP 232 Ca 0.06 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 2vax h ASP 232 Cb 0.78 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2vax h ASP 232 CO 0.06 0.79 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.70 2vax h GLU 233 N 1.14 0.60 -0.01 3.56 5.08 -1.16 -3.23 114.58 120.56 2vax h GLU 233 Ca 0.29 -0.28 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 2vax h GLU 233 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2vax h GLU 233 CO -0.05 0.86 -0.82 -0.09 -1.00 0.00 0.00 179.01 177.91 2vax h ARG 234 N 0.50 0.18 -3.44 2.33 2.43 -1.00 -3.43 114.38 111.96 2vax h ARG 234 Ca 0.05 -0.18 -0.45 0.00 -0.81 0.00 0.00 59.98 58.59 2vax h ARG 234 Cb 0.83 0.05 -0.39 0.00 -0.42 0.00 0.00 29.97 30.04 2vax h ARG 234 CO 0.07 0.90 -0.76 -0.06 -1.51 0.00 0.00 179.97 178.61 2vax s PHE 235 N -3.31 0.55 0.00 2.20 0.40 -0.29 -3.96 117.98 113.56 2vax s PHE 235 Ca -0.03 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 2vax s PHE 235 Cb 0.11 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.85 2vax s PHE 235 CO 0.82 -0.43 0.00 -2.39 0.70 0.00 0.00 175.22 173.92 2vax n HIS 236 N 5.18 0.00 -2.79 0.36 1.44 -1.26 -4.49 115.22 113.66 2vax n HIS 236 Ca -0.07 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.27 2vax n HIS 236 Cb 0.49 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.60 2vax n HIS 236 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2vax n MET 237 N 0.00 4.65 0.00 -1.40 2.81 -1.26 -1.66 117.12 120.26 2vax n MET 237 Ca 0.00 -4.71 0.00 0.00 -1.81 0.00 0.00 57.70 51.18 2vax n MET 237 Cb 0.00 -2.41 0.00 0.00 -0.71 0.00 0.00 33.22 30.10 2vax n MET 237 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2vax n GLN 269 N 0.09 0.00 -1.76 0.03 7.27 -1.25 -5.07 117.38 116.69 2vax n GLN 269 Ca 0.40 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 57.15 2vax n GLN 269 Cb 0.31 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.99 2vax n GLN 269 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2vax s PRO 270 N 0.00 3.06 0.59 3.69 0.04 -1.26 -4.06 135.00 137.06 2vax s PRO 270 Ca 0.00 1.08 0.30 0.00 0.04 0.00 0.00 61.00 62.42 2vax s PRO 270 Cb 0.00 -2.00 1.77 0.00 0.04 0.00 0.00 34.50 34.31 2vax s PRO 270 CO 0.00 -1.01 2.20 0.82 0.04 0.00 0.00 177.00 179.04 2vax h ILE 271 N -0.23 0.48 -0.91 0.56 2.04 -1.65 -0.14 117.51 117.67 2vax h ILE 271 Ca -0.45 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.57 2vax h ILE 271 Cb 1.22 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 2vax h ILE 271 CO 0.57 0.00 0.58 -0.33 0.00 0.00 0.00 178.15 178.97 2vax h GLU 272 N 0.00 0.64 0.00 2.37 3.07 -1.93 -2.79 114.58 115.94 2vax h GLU 272 Ca 0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2vax h GLU 272 Cb 0.20 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2vax h GLU 272 CO -0.00 0.43 0.00 0.00 -1.40 0.00 0.00 179.01 178.03 2vax h ALA 273 N 1.60 1.00 -0.70 3.43 0.00 -1.39 -3.27 119.26 119.93 2vax h ALA 273 Ca 0.47 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.49 2vax h ALA 273 Cb 0.81 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2vax h ALA 273 CO -0.22 0.00 0.29 0.28 0.00 0.00 0.00 179.25 179.60 2vax h VAL 274 N 0.00 0.73 -0.02 0.00 2.07 -1.61 -1.71 116.25 115.72 2vax h VAL 274 Ca 0.00 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2vax h VAL 274 Cb 0.66 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2vax h VAL 274 CO 0.00 0.09 -0.32 -1.28 0.02 0.00 0.00 177.57 176.08 2vax h SER 275 N 0.47 -0.95 1.27 0.57 0.87 -1.77 -1.22 113.55 112.78 2vax h SER 275 Ca 0.37 0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.91 2vax h SER 275 Cb 0.50 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 2vax h SER 275 CO -0.35 -0.38 -0.69 0.77 -0.53 0.00 0.00 176.83 175.65 2vax h SER 276 N -0.46 0.00 -0.96 6.23 4.64 -1.75 -2.54 113.55 118.71 2vax h SER 276 Ca 0.07 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.47 2vax h SER 276 Cb 0.55 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.57 2vax h SER 276 CO -0.27 0.69 0.62 0.22 -0.87 0.00 0.00 176.83 177.22 2vax h TYR 277 N 0.00 1.11 -0.34 4.77 5.03 -0.98 -0.23 116.97 126.32 2vax h TYR 277 Ca -0.01 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.17 2vax h TYR 277 Cb 1.51 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 39.43 2vax h TYR 277 CO 0.00 0.52 -0.42 -0.07 -1.32 0.00 0.00 178.16 176.87 2vax h LEU 278 N 1.04 0.95 -1.03 2.82 3.38 -0.96 -3.16 115.31 118.36 2vax h LEU 278 Ca 0.44 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2vax h LEU 278 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2vax h LEU 278 CO -0.19 1.25 -0.42 0.03 0.09 0.00 0.00 178.44 179.20 2vax h ARG 279 N 0.68 0.13 0.00 1.13 2.47 -1.12 -3.28 114.38 114.38 2vax h ARG 279 Ca 0.04 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2vax h ARG 279 Cb 1.02 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2vax h ARG 279 CO 0.10 0.53 0.00 0.98 0.56 0.00 0.00 179.97 182.14 2vax n TYR 280 N -4.02 0.00 -0.21 3.04 9.36 -0.13 -1.01 117.16 124.18 2vax n TYR 280 Ca -0.02 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.15 2vax n TYR 280 Cb 0.47 -0.09 -0.05 0.00 -0.63 0.00 0.00 39.34 39.04 2vax n TYR 280 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2vax n GLN 281 N -0.78 -0.22 -0.22 2.98 1.13 -1.24 -2.37 117.38 116.65 2vax n GLN 281 Ca 0.00 0.84 -0.08 0.00 -1.94 0.00 0.00 57.00 55.82 2vax n GLN 281 Cb 0.00 -1.23 0.03 0.00 0.11 0.00 0.00 30.24 29.15 2vax n GLN 281 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2vax h ALA 282 N 0.18 0.82 -0.24 -1.58 0.00 -1.61 -2.33 119.26 114.50 2vax h ALA 282 Ca 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2vax h ALA 282 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2vax h ALA 282 CO -0.47 0.52 0.14 1.96 0.00 0.00 0.00 179.25 181.39 2vax h GLN 283 N 0.91 0.27 -0.63 0.00 4.20 -0.69 -0.94 115.11 118.23 2vax h GLN 283 Ca 0.20 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 2vax h GLN 283 Cb 0.34 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2vax h GLN 283 CO 0.00 0.18 0.13 1.57 -0.67 0.00 0.00 178.83 180.04 2vax h LYS 284 N 0.28 1.03 -0.19 1.46 2.10 -1.27 -1.53 116.57 118.45 2vax h LYS 284 Ca 0.09 -0.26 0.03 0.00 -2.00 0.00 0.00 60.65 58.51 2vax h LYS 284 Cb 0.00 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.17 2vax h LYS 284 CO -0.05 0.94 -0.01 0.35 -2.00 0.00 0.00 179.45 178.68 2vax h PHE 285 N 0.94 -0.03 0.00 0.07 3.04 -1.34 -2.70 116.94 116.92 2vax h PHE 285 Ca 0.20 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.15 2vax h PHE 285 Cb 0.40 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 2vax h PHE 285 CO 0.03 -0.04 -0.02 0.00 -2.02 0.00 0.00 178.31 176.26 2vax h ALA 286 N 1.17 1.03 0.00 2.41 0.00 -0.71 -0.50 119.26 122.66 2vax h ALA 286 Ca 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2vax h ALA 286 Cb 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2vax h ALA 286 CO -0.16 0.03 -0.27 0.00 0.00 0.00 0.00 179.25 178.85 2vax h ALA 287 N 1.98 0.86 -0.28 0.00 0.00 -0.99 -3.36 119.26 117.46 2vax h ALA 287 Ca -0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 2vax h ALA 287 Cb 0.33 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 17.78 2vax h ALA 287 CO 0.00 0.34 -0.86 -1.13 0.00 0.00 0.00 179.25 177.60 2vax n SER 288 N -3.22 2.25 -3.88 0.00 3.41 -0.27 -5.04 113.62 106.87 2vax n SER 288 Ca 0.02 -2.92 -0.09 0.00 -0.26 0.00 0.00 58.87 55.62 2vax n SER 288 Cb 0.59 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 2vax n SER 288 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2vax s PHE 289 N -2.60 0.22 -0.12 7.33 2.19 -0.76 -4.99 117.98 119.25 2vax s PHE 289 Ca 0.37 -0.63 -0.02 0.00 0.33 0.00 0.00 56.93 56.99 2vax s PHE 289 Cb 0.37 -0.06 -0.03 0.00 -1.31 0.00 0.00 43.02 42.00 2vax s PHE 289 CO -0.06 -0.59 -0.04 0.34 1.83 0.00 0.00 175.22 176.69 2vax s ASP 290 N -2.89 4.82 0.08 6.13 2.15 -1.26 -4.89 116.67 120.81 2vax s ASP 290 Ca 0.08 -0.05 -0.28 0.00 0.43 0.00 0.00 52.55 52.72 2vax s ASP 290 Cb 0.04 -1.55 -0.17 0.00 -0.30 0.00 0.00 42.92 40.95 2vax s ASP 290 CO -0.08 0.26 1.68 0.00 -0.17 0.00 0.00 175.17 176.86 2vax h ALA 291 N 6.01 -0.50 -1.00 3.66 0.00 -1.95 0.35 119.26 125.82 2vax h ALA 291 Ca -0.40 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.55 2vax h ALA 291 Cb 1.19 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 2vax h ALA 291 CO 0.58 -0.78 0.62 -0.91 0.00 0.00 0.00 179.25 178.75 2vax h ASN 292 N -0.51 0.87 -0.09 0.00 2.35 -1.95 -0.02 115.58 116.22 2vax h ASN 292 Ca -0.05 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 2vax h ASN 292 Cb 0.39 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2vax h ASN 292 CO 0.08 0.41 -0.20 0.00 -1.65 0.00 0.00 177.43 176.06 2vax h TYR 294 N 0.45 1.20 0.03 0.00 5.03 0.92 0.23 116.97 124.83 2vax h TYR 294 Ca 0.07 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 2vax h TYR 294 Cb 0.60 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.51 2vax h TYR 294 CO 0.02 0.86 -0.02 0.82 -1.32 0.00 0.00 178.16 178.52 2vax h ILE 295 N 1.19 1.17 -0.71 1.81 2.04 -0.94 -1.80 117.51 120.28 2vax h ILE 295 Ca 0.29 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2vax h ILE 295 Cb 0.10 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2vax h ILE 295 CO -0.04 0.17 0.36 0.00 0.00 0.00 0.00 178.15 178.64 2vax h ALA 296 N 0.62 0.91 -0.05 1.87 0.00 -0.78 -1.53 119.26 120.30 2vax h ALA 296 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2vax h ALA 296 Cb 0.31 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2vax h ALA 296 CO 0.01 0.45 0.01 0.52 0.00 0.00 0.00 179.25 180.23 2vax h MET 297 N 0.98 0.08 0.00 0.00 2.86 -0.55 -2.98 114.93 115.32 2vax h MET 297 Ca 0.25 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.79 2vax h MET 297 Cb 0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2vax h MET 297 CO -0.03 0.32 -0.37 1.79 1.06 0.00 0.00 176.91 179.67 2vax h THR 298 N -0.17 1.00 -0.17 2.22 1.35 -1.22 -2.62 112.91 113.29 2vax h THR 298 Ca 0.01 -1.41 -0.08 0.00 -0.55 0.00 0.00 66.41 64.39 2vax h THR 298 Cb 0.28 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 2vax h THR 298 CO 0.00 0.36 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.34 2vax h LEU 299 N 0.00 0.30 -1.20 3.87 3.38 -1.16 -2.07 115.31 118.43 2vax h LEU 299 Ca -0.00 -0.09 0.31 0.00 0.09 0.00 0.00 57.88 58.18 2vax h LEU 299 Cb 0.79 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 2vax h LEU 299 CO 0.05 0.54 0.66 0.11 0.09 0.00 0.00 178.44 179.89 2vax h LYS 300 N 0.28 0.35 -0.58 1.13 1.57 -1.32 0.13 116.57 118.13 2vax h LYS 300 Ca 0.05 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2vax h LYS 300 Cb 0.56 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2vax h LYS 300 CO 0.04 0.23 0.39 0.74 -0.57 0.00 0.00 179.45 180.28 2vax h PHE 301 N 0.36 0.49 0.00 -1.35 0.04 -1.49 -1.25 116.94 113.74 2vax h PHE 301 Ca 0.68 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.43 2vax h PHE 301 Cb 1.68 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.66 2vax h PHE 301 CO -0.01 0.25 -0.19 -0.44 -0.60 0.00 0.00 178.31 177.33 2vax h ASP 302 N 0.48 0.00 0.97 2.17 3.32 -0.87 -2.83 116.42 119.66 2vax h ASP 302 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2vax h ASP 302 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2vax h ASP 302 CO -0.07 0.19 -0.29 0.35 -1.72 0.00 0.00 179.24 177.69 2vax n THR 303 N -3.56 0.26 -2.31 0.35 -2.24 -0.48 -4.82 114.28 101.48 2vax n THR 303 Ca -0.01 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2vax n THR 303 Cb 0.33 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 2vax n THR 303 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2vax s HIS 304 N -3.07 2.90 -0.30 4.78 5.04 -1.07 -4.84 115.29 118.73 2vax s HIS 304 Ca 0.10 0.92 -0.08 0.00 -1.54 0.00 0.00 55.06 54.47 2vax s HIS 304 Cb 0.15 -3.58 0.18 0.00 0.04 0.00 0.00 32.58 29.37 2vax s HIS 304 CO 0.64 -2.09 0.88 0.34 -2.34 0.00 0.00 174.74 172.17 2vax s ASP 305 N 1.87 -0.83 0.55 9.88 -1.08 -1.26 -1.30 116.67 124.51 2vax s ASP 305 Ca 0.61 0.44 0.34 0.00 -0.52 0.00 0.00 52.55 53.42 2vax s ASP 305 Cb -0.28 1.66 1.53 0.00 -1.46 0.00 0.00 42.92 44.37 2vax s ASP 305 CO 0.24 -0.15 2.05 0.16 0.52 0.00 0.00 175.17 177.99 2vax h ILE 306 N 5.51 0.17 0.00 4.11 3.07 -1.53 -2.82 117.51 126.02 2vax h ILE 306 Ca -0.15 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.76 2vax h ILE 306 Cb 1.17 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.14 2vax h ILE 306 CO 0.03 0.05 -0.48 0.77 -1.05 0.00 0.00 178.15 177.47 2vax h SER 307 N 0.00 0.00 -1.50 2.16 4.64 -1.87 -3.44 113.55 113.54 2vax h SER 307 Ca -0.00 -0.01 -0.75 0.00 -0.47 0.00 0.00 61.79 60.57 2vax h SER 307 Cb 0.42 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 2vax h SER 307 CO 0.01 0.00 0.81 -1.14 -0.87 0.00 0.00 176.83 175.64 2vax n ARG 308 N -2.86 1.02 -1.05 4.77 0.63 -1.07 0.75 116.66 118.86 2vax n ARG 308 Ca 0.02 0.37 -0.02 0.00 -0.92 0.00 0.00 57.85 57.31 2vax n ARG 308 Cb 0.53 -2.03 -0.01 0.00 0.45 0.00 0.00 32.46 31.41 2vax n ARG 308 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2vax n GLY 309 N 3.91 0.36 0.00 5.14 0.00 -1.26 -4.76 105.19 108.57 2vax n GLY 309 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2vax n GLY 309 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vax n ARG 310 N -0.94 0.69 -3.74 1.61 1.74 0.23 -5.12 116.66 111.11 2vax n ARG 310 Ca -0.02 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.97 2vax n ARG 310 Cb 0.30 -0.77 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 2vax n ARG 310 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vax s ALA 311 N -1.55 -0.88 -0.87 7.54 0.00 -0.81 -4.95 121.76 120.24 2vax s ALA 311 Ca 0.00 -0.25 0.28 0.00 0.00 0.00 0.00 51.96 51.98 2vax s ALA 311 Cb 0.00 0.85 1.01 0.00 0.00 0.00 0.00 23.12 24.98 2vax s ALA 311 CO 0.00 -0.79 1.84 0.41 0.00 0.00 0.00 175.76 177.22 2vax n GLY 312 N -0.33 -1.59 3.56 0.00 0.00 -1.26 -4.66 105.19 100.91 2vax n GLY 312 Ca -0.10 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2vax n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vax s SER 313 N -3.72 -0.37 0.12 1.61 1.04 -1.26 -5.05 113.70 106.06 2vax s SER 313 Ca 0.12 -0.33 -0.18 0.00 0.48 0.00 0.00 55.95 56.04 2vax s SER 313 Cb 0.16 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.85 2vax s SER 313 CO 0.57 -1.09 1.69 0.40 0.98 0.00 0.00 173.24 175.79 2vax h ILE 314 N 2.08 1.15 -0.35 -1.02 1.08 -1.98 -1.04 117.51 117.43 2vax h ILE 314 Ca -0.29 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 2vax h ILE 314 Cb 1.28 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 2vax h ILE 314 CO 0.34 0.15 0.19 -0.65 -0.69 0.00 0.00 178.15 177.50 2vax h PRO 315 N 0.32 0.47 -0.45 2.37 0.11 -1.97 0.17 132.00 133.03 2vax h PRO 315 Ca 0.10 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 2vax h PRO 315 Cb 0.12 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2vax h PRO 315 CO -0.01 0.35 -0.18 0.93 -0.21 0.00 0.00 178.00 178.88 2vax h GLU 316 N 0.48 0.92 -0.48 1.05 5.08 -1.88 -2.12 114.58 117.63 2vax h GLU 316 Ca 0.13 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2vax h GLU 316 Cb 0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2vax h GLU 316 CO -0.02 1.04 0.23 0.00 -1.00 0.00 0.00 179.01 179.26 2vax h ALA 317 N 0.85 0.62 -0.80 3.43 0.00 -0.74 -2.96 119.26 119.66 2vax h ALA 317 Ca 0.10 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2vax h ALA 317 Cb 0.75 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2vax h ALA 317 CO 0.06 0.19 0.53 -0.07 0.00 0.00 0.00 179.25 179.96 2vax h LEU 318 N 0.63 0.84 -2.05 0.00 3.38 -0.87 -1.70 115.31 115.55 2vax h LEU 318 Ca 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2vax h LEU 318 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2vax h LEU 318 CO -0.02 0.58 -0.01 0.00 0.09 0.00 0.00 178.44 179.07 2vax h ALA 319 N 1.54 1.02 0.00 1.53 0.00 -1.22 -1.04 119.26 121.09 2vax h ALA 319 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2vax h ALA 319 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2vax h ALA 319 CO -0.10 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.84 2vax n MET 320 N -3.13 0.45 -2.99 0.00 2.81 -0.64 -4.71 117.12 108.91 2vax n MET 320 Ca -0.01 0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.50 2vax n MET 320 Cb 0.22 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.17 2vax n MET 320 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2vax s ILE 321 N -2.45 4.71 -0.13 2.02 1.01 -0.39 -4.93 121.20 121.04 2vax s ILE 321 Ca 0.27 0.58 0.18 0.00 0.00 0.00 0.00 60.65 61.67 2vax s ILE 321 Cb 0.17 -4.25 -0.16 0.00 0.01 0.00 0.00 42.46 38.23 2vax s ILE 321 CO 0.36 -0.57 0.72 0.41 0.00 0.00 0.00 174.94 175.86 2vax n THR 322 N 5.95 1.05 -1.95 2.92 -1.04 -1.26 -4.11 114.28 115.84 2vax n THR 322 Ca 0.02 -0.68 -0.35 0.00 -2.04 0.00 0.00 64.05 61.00 2vax n THR 322 Cb 0.48 -0.60 0.04 0.00 -1.82 0.00 0.00 70.33 68.43 2vax n THR 322 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2vax s GLN 323 N -2.97 2.91 0.32 -2.82 1.11 -1.26 -4.69 119.66 112.26 2vax s GLN 323 Ca -0.04 1.72 -0.28 0.00 0.01 0.00 0.00 55.36 56.76 2vax s GLN 323 Cb 0.09 -1.93 -0.13 0.00 -1.01 0.00 0.00 33.01 30.03 2vax s GLN 323 CO 0.82 -1.23 1.26 -2.30 0.01 0.00 0.00 175.29 173.86 2vax n PRO 324 N -1.80 2.00 -4.29 2.91 -0.02 -1.26 -4.56 135.00 127.99 2vax n PRO 324 Ca 0.13 0.70 -0.19 0.00 -2.02 0.00 0.00 63.50 62.12 2vax n PRO 324 Cb 0.50 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 2vax n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vax s ALA 325 N -0.97 0.69 -0.22 3.55 0.00 -0.66 -2.04 121.76 122.11 2vax s ALA 325 Ca 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2vax s ALA 325 Cb -0.60 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.30 2vax s ALA 325 CO 0.60 0.12 -0.13 -1.17 0.00 0.00 0.00 175.76 175.18 2vax s LEU 326 N 0.15 2.79 -0.37 0.00 2.96 -0.73 -0.84 118.68 122.65 2vax s LEU 326 Ca -0.02 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 2vax s LEU 326 Cb -0.07 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 2vax s LEU 326 CO 0.00 -0.08 0.27 -0.63 -1.32 0.00 0.00 176.35 174.58 2vax s ILE 327 N 1.27 5.27 -0.17 6.68 1.01 -0.32 -3.08 121.20 131.85 2vax s ILE 327 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2vax s ILE 327 Cb -0.16 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2vax s ILE 327 CO -0.08 -0.14 0.04 -0.63 0.00 0.00 0.00 174.94 174.13 2vax s ILE 328 N 1.71 4.56 0.21 2.92 1.01 -1.06 0.10 121.20 130.66 2vax s ILE 328 Ca 0.06 -0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 2vax s ILE 328 Cb -0.18 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2vax s ILE 328 CO 0.10 0.47 0.43 0.00 0.00 0.00 0.00 174.94 175.95 2vax s ALA 330 N -3.96 1.98 0.55 0.00 0.00 -1.26 -1.00 121.76 118.06 2vax s ALA 330 Ca 0.17 -0.93 0.30 0.00 0.00 0.00 0.00 51.96 51.51 2vax s ALA 330 Cb 0.00 -0.65 1.47 0.00 0.00 0.00 0.00 23.12 23.94 2vax s ALA 330 CO 0.03 0.35 1.90 0.00 0.00 0.00 0.00 175.76 178.04 2vax h ARG 331 N 6.25 0.00 -0.61 0.00 3.08 -1.87 -2.64 114.38 118.59 2vax h ARG 331 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2vax h ARG 331 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2vax h ARG 331 CO 0.47 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.80 2vax n SER 332 N -4.17 4.49 -4.67 7.04 7.64 -1.26 -4.54 113.62 118.16 2vax n SER 332 Ca 0.15 -2.41 -0.42 0.00 1.01 0.00 0.00 58.87 57.20 2vax n SER 332 Cb 0.86 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 2vax n SER 332 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2vax s ASP 333 N -1.00 6.67 0.00 6.43 -1.08 -1.00 -4.36 116.67 122.33 2vax s ASP 333 Ca 0.48 2.28 0.26 0.00 -0.52 0.00 0.00 52.55 55.05 2vax s ASP 333 Cb 0.31 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.84 2vax s ASP 333 CO 0.24 -0.90 1.48 0.61 0.52 0.00 0.00 175.17 177.12 2vax n GLY 334 N 4.06 -0.46 0.27 2.66 0.00 -1.26 -4.26 105.19 106.19 2vax n GLY 334 Ca 0.17 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 2vax n GLY 334 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vax n LEU 335 N -0.50 1.68 -4.22 0.99 4.77 -1.26 -4.92 117.00 113.54 2vax n LEU 335 Ca 0.12 0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 56.03 2vax n LEU 335 Cb 0.37 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 2vax n LEU 335 CO 0.26 0.32 -0.36 -0.31 -1.33 0.00 0.00 177.39 175.97 2vax s TYR 336 N -2.50 3.15 0.40 -1.77 1.51 -1.26 -4.82 117.35 112.06 2vax s TYR 336 Ca -0.31 -1.55 -0.24 0.00 -1.01 0.00 0.00 57.07 53.96 2vax s TYR 336 Cb 0.11 -2.12 -0.09 0.00 -0.11 0.00 0.00 41.96 39.75 2vax s TYR 336 CO 0.40 -0.73 1.03 -1.54 -1.11 0.00 0.00 175.55 173.61 2vax s SER 337 N 1.34 6.79 0.27 2.29 1.04 -1.26 -4.66 113.70 119.51 2vax s SER 337 Ca -0.01 1.99 -0.08 0.00 0.48 0.00 0.00 55.95 58.33 2vax s SER 337 Cb -0.18 -2.58 0.44 0.00 0.10 0.00 0.00 66.02 63.81 2vax s SER 337 CO -0.02 -0.47 1.57 0.15 0.98 0.00 0.00 173.24 175.46 2vax h PHE 338 N 2.45 -0.45 -0.92 5.02 3.57 -1.80 -2.24 116.94 122.58 2vax h PHE 338 Ca -0.48 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.18 2vax h PHE 338 Cb 1.21 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 40.23 2vax h PHE 338 CO 0.58 -0.40 0.59 -0.44 -2.23 0.00 0.00 178.31 176.42 2vax h ASP 339 N 0.00 0.88 1.17 0.41 3.32 -1.95 -1.20 116.42 119.05 2vax h ASP 339 Ca 0.46 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.45 2vax h ASP 339 Cb 0.72 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2vax h ASP 339 CO -0.95 0.54 -0.35 1.05 -1.72 0.00 0.00 179.24 177.81 2vax h GLU 340 N 0.99 0.00 -0.04 3.56 4.11 -1.78 0.77 114.58 122.19 2vax h GLU 340 Ca 0.41 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.61 2vax h GLU 340 Cb 0.30 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.57 2vax h GLU 340 CO -0.17 0.35 -0.89 0.45 0.07 0.00 0.00 179.01 178.82 2vax h HIS 341 N 0.00 0.97 -0.45 2.06 3.86 -1.22 -2.01 115.15 118.36 2vax h HIS 341 Ca -0.00 -0.50 0.05 0.00 -1.16 0.00 0.00 60.37 58.76 2vax h HIS 341 Cb 1.03 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.34 2vax h HIS 341 CO 0.00 1.33 0.18 0.28 0.86 0.00 0.00 177.93 180.58 2vax h VAL 342 N 0.33 0.90 -0.46 2.45 2.07 -0.95 0.07 116.25 120.66 2vax h VAL 342 Ca -0.10 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.36 2vax h VAL 342 Cb 1.55 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 2vax h VAL 342 CO 0.18 0.07 0.14 -0.08 0.02 0.00 0.00 177.57 177.89 2vax h GLU 343 N 0.37 0.28 0.14 1.57 4.81 -0.84 -1.66 114.58 119.26 2vax h GLU 343 Ca 0.20 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2vax h GLU 343 Cb 0.17 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2vax h GLU 343 CO -0.19 0.19 -0.28 0.52 -0.73 0.00 0.00 179.01 178.52 2vax h MET 344 N 0.29 -0.49 -0.30 1.92 2.86 -0.57 -1.86 114.93 116.78 2vax h MET 344 Ca 0.22 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.99 2vax h MET 344 Cb 0.26 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2vax h MET 344 CO -0.26 -0.33 0.25 0.78 1.06 0.00 0.00 176.91 178.41 2vax h GLY 345 N -0.51 0.00 0.98 8.32 0.00 -0.73 -0.97 103.07 110.15 2vax h GLY 345 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2vax h GLY 345 CO -0.15 0.00 -1.11 -0.96 0.00 0.00 0.00 176.54 174.32 2vax n ARG 346 N -4.17 0.61 -0.00 4.80 1.85 -0.65 -4.25 116.66 114.85 2vax n ARG 346 Ca 0.04 0.14 0.07 0.00 -1.00 0.00 0.00 57.85 57.10 2vax n ARG 346 Cb 0.41 -1.82 -0.14 0.00 -1.05 0.00 0.00 32.46 29.86 2vax n ARG 346 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2vax n SER 347 N -2.72 0.19 -4.62 2.89 7.64 -0.77 -4.83 113.62 111.41 2vax n SER 347 Ca -0.02 0.08 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 2vax n SER 347 Cb 0.61 1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 65.26 2vax n SER 347 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2vax s ILE 348 N -3.30 4.43 0.19 0.44 1.01 -0.40 -2.82 121.20 120.75 2vax s ILE 348 Ca -0.07 1.46 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 2vax s ILE 348 Cb 0.12 -4.46 0.10 0.00 0.01 0.00 0.00 42.46 38.23 2vax s ILE 348 CO 0.87 -0.66 1.80 1.55 0.00 0.00 0.00 174.94 178.51 2vax h PRO 349 N 8.52 0.58 -2.77 2.79 0.13 -1.82 -3.23 132.00 136.20 2vax h PRO 349 Ca -0.22 -0.03 -0.73 0.00 -0.87 0.00 0.00 66.00 64.15 2vax h PRO 349 Cb 1.06 -0.13 -0.33 0.00 0.13 0.00 0.00 31.00 31.73 2vax h PRO 349 CO 1.05 0.38 0.23 0.09 -0.23 0.00 0.00 178.00 179.52 2vax n ASN 350 N -4.83 5.28 -4.13 1.44 3.02 -1.26 -5.04 115.26 109.74 2vax n ASN 350 Ca 0.06 -3.37 -0.20 0.00 -0.03 0.00 0.00 54.58 51.03 2vax n ASN 350 Cb 0.14 -1.06 -0.14 0.00 -0.61 0.00 0.00 39.78 38.11 2vax n ASN 350 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2vax s SER 351 N -1.66 1.63 -0.11 6.41 1.04 -1.22 -1.65 113.70 118.15 2vax s SER 351 Ca 0.33 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.38 2vax s SER 351 Cb 0.06 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2vax s SER 351 CO 0.03 0.06 -0.18 -0.60 0.98 0.00 0.00 173.24 173.54 2vax s ARG 352 N -0.94 3.12 -0.09 4.02 3.52 -0.02 -4.96 118.95 123.60 2vax s ARG 352 Ca 0.02 -0.77 -0.22 0.00 -0.13 0.00 0.00 55.73 54.64 2vax s ARG 352 Cb -0.07 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 2vax s ARG 352 CO 0.01 0.26 0.63 -1.17 -0.81 0.00 0.00 175.30 174.22 2vax s LEU 353 N 0.20 4.29 -0.27 -0.88 2.96 -1.26 -1.18 118.68 122.54 2vax s LEU 353 Ca -0.11 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.89 2vax s LEU 353 Cb -0.16 -2.96 0.06 0.00 0.50 0.00 0.00 46.19 43.63 2vax s LEU 353 CO 0.06 -0.10 -0.09 0.00 -1.32 0.00 0.00 176.35 174.90 2vax s VAL 355 N 1.08 5.16 0.09 0.00 1.01 -1.26 -1.70 120.40 124.78 2vax s VAL 355 Ca -0.07 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 2vax s VAL 355 Cb -0.20 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 2vax s VAL 355 CO -0.05 -0.17 1.33 -0.69 0.00 0.00 0.00 175.10 175.52 2vax s VAL 356 N 2.01 3.56 -0.86 2.92 1.01 -0.17 -4.93 120.40 123.95 2vax s VAL 356 Ca 0.11 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.96 2vax s VAL 356 Cb -0.17 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2vax s VAL 356 CO 0.12 0.08 1.58 -0.62 0.00 0.00 0.00 175.10 176.26 2vax s ASP 357 N 1.14 5.92 0.17 3.32 2.15 -1.26 -4.66 116.67 123.45 2vax s ASP 357 Ca 0.63 -0.73 -0.23 0.00 0.43 0.00 0.00 52.55 52.65 2vax s ASP 357 Cb -0.34 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 39.78 2vax s ASP 357 CO 0.30 -2.01 0.62 0.28 -0.17 0.00 0.00 175.17 174.19 2vax s THR 358 N 6.95 0.00 -0.82 1.71 -1.32 -1.26 -5.03 115.64 115.87 2vax s THR 358 Ca 0.52 -0.13 0.09 0.00 -1.21 0.00 0.00 61.69 60.96 2vax s THR 358 Cb -0.06 -1.13 0.21 0.00 -1.51 0.00 0.00 72.50 70.01 2vax s THR 358 CO 0.04 0.00 1.12 -0.46 -2.21 0.00 0.00 174.62 173.10 2vax n ASN 359 N -0.39 2.54 -4.78 8.08 0.23 -1.26 -4.81 115.26 114.88 2vax n ASN 359 Ca -0.15 -1.87 -0.30 0.00 -0.53 0.00 0.00 54.58 51.73 2vax n ASN 359 Cb 0.64 -0.15 0.10 0.00 -2.08 0.00 0.00 39.78 38.29 2vax n ASN 359 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2vax s GLU 360 N -0.95 2.02 0.00 -3.83 0.41 -1.26 -4.16 118.70 110.93 2vax s GLU 360 Ca 0.17 0.83 0.00 0.00 -0.41 0.00 0.00 54.97 55.56 2vax s GLU 360 Cb 0.09 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.55 2vax s GLU 360 CO 0.12 -1.71 0.00 0.41 -0.49 0.00 0.00 175.26 173.59 2vax n GLY 361 N -1.67 0.61 0.37 -1.39 0.00 -1.26 -4.60 105.19 97.25 2vax n GLY 361 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2vax n GLY 361 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2vax h HIS 362 N 0.00 0.91 -0.05 1.61 -0.00 -1.39 -0.57 115.15 115.67 2vax h HIS 362 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2vax h HIS 362 Cb 0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 2vax h HIS 362 CO 0.00 0.33 0.01 -0.40 -0.00 0.00 0.00 177.93 177.88 2vax n ASP 363 N -4.59 1.81 0.27 3.26 3.85 -0.46 -3.98 116.55 116.71 2vax n ASP 363 Ca 0.18 -2.08 0.14 0.00 -0.71 0.00 0.00 54.79 52.31 2vax n ASP 363 Cb 0.45 -0.52 0.79 0.00 -1.35 0.00 0.00 41.12 40.49 2vax n ASP 363 CO 0.00 0.00 0.00 2.19 -1.01 0.00 0.00 177.20 178.38 2vax h PHE 364 N 0.25 0.00 0.00 2.11 -5.15 -1.38 -1.12 116.94 111.64 2vax h PHE 364 Ca 0.01 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 2vax h PHE 364 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.92 2vax h PHE 364 CO 0.09 0.09 0.00 1.97 -2.00 0.00 0.00 178.31 178.46 2vax n PHE 365 N -3.65 0.52 -0.12 6.09 1.16 -1.26 -0.08 117.46 120.12 2vax n PHE 365 Ca -0.02 0.17 -0.20 0.00 -1.87 0.00 0.00 57.45 55.53 2vax n PHE 365 Cb 0.20 -0.77 -0.11 0.00 -1.61 0.00 0.00 39.48 37.19 2vax n PHE 365 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2vax n VAL 366 N -1.94 1.40 0.14 1.97 0.31 -0.54 -4.08 118.33 115.59 2vax n VAL 366 Ca 0.05 -0.49 -0.01 0.00 -0.01 0.00 0.00 64.34 63.88 2vax n VAL 366 Cb 0.33 -1.49 0.19 0.00 -0.91 0.00 0.00 33.84 31.96 2vax n VAL 366 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2vax h MET 367 N -0.24 0.02 -1.28 5.55 2.86 -1.08 -3.06 114.93 117.70 2vax h MET 367 Ca -0.57 -0.01 -0.62 0.00 -2.06 0.00 0.00 59.70 56.44 2vax h MET 367 Cb 1.77 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 33.05 2vax h MET 367 CO -0.17 0.60 -0.28 0.39 1.06 0.00 0.00 176.91 178.51 2vax n GLU 368 N -3.84 3.29 -0.17 1.72 -0.58 0.88 -4.87 120.64 117.07 2vax n GLU 368 Ca -0.01 -4.10 0.10 0.00 -0.42 0.00 0.00 57.16 52.73 2vax n GLU 368 Cb 0.59 -2.27 0.42 0.00 -0.57 0.00 0.00 31.44 29.61 2vax n GLU 368 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2vax h ALA 369 N 2.44 1.87 -0.31 0.62 0.00 -1.68 -1.25 119.26 120.96 2vax h ALA 369 Ca 0.40 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 2vax h ALA 369 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2vax h ALA 369 CO 1.01 -0.03 -0.32 -0.44 0.00 0.00 0.00 179.25 179.47 2vax h ASP 370 N 0.60 0.68 0.20 0.00 3.32 -1.89 0.15 116.42 119.48 2vax h ASP 370 Ca 0.34 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 2vax h ASP 370 Cb 0.51 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2vax h ASP 370 CO -0.12 0.95 -0.46 0.11 -1.72 0.00 0.00 179.24 178.00 2vax h LYS 371 N 0.56 0.32 -0.19 3.56 1.57 -1.65 -1.73 116.57 119.01 2vax h LYS 371 Ca 0.06 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 2vax h LYS 371 Cb 0.82 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 2vax h LYS 371 CO 0.07 0.72 -0.27 0.28 -0.57 0.00 0.00 179.45 179.68 2vax h VAL 372 N 0.26 1.34 -0.32 0.50 2.07 -1.09 -2.52 116.25 116.49 2vax h VAL 372 Ca 0.02 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.13 2vax h VAL 372 Cb 0.92 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 2vax h VAL 372 CO 0.08 0.45 -0.15 -1.13 0.02 0.00 0.00 177.57 176.84 2vax h ASN 373 N 0.17 -0.50 -0.76 0.57 -0.73 -0.51 0.10 115.58 113.92 2vax h ASN 373 Ca 0.02 0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 2vax h ASN 373 Cb 0.84 0.28 -0.04 0.00 0.27 0.00 0.00 38.32 39.67 2vax h ASN 373 CO 0.06 -0.18 0.45 0.44 -0.37 0.00 0.00 177.43 177.83 2vax h ASP 374 N -0.10 0.93 -0.18 1.15 3.32 -1.32 0.75 116.42 120.97 2vax h ASP 374 Ca 0.16 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2vax h ASP 374 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2vax h ASP 374 CO -0.38 0.73 0.05 0.00 -1.72 0.00 0.00 179.24 177.92 2vax h ALA 375 N 1.24 0.24 0.22 3.45 0.00 -0.96 -1.05 119.26 122.40 2vax h ALA 375 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2vax h ALA 375 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2vax h ALA 375 CO -0.05 -0.13 -0.10 0.28 0.00 0.00 0.00 179.25 179.25 2vax h VAL 376 N 0.11 0.84 -0.57 0.00 2.07 -0.55 -2.65 116.25 115.50 2vax h VAL 376 Ca 0.06 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2vax h VAL 376 Cb 0.25 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 2vax h VAL 376 CO -0.00 0.07 0.25 -0.09 0.02 0.00 0.00 177.57 177.82 2vax h ARG 377 N -0.45 0.45 -0.82 1.57 2.43 -0.87 -0.42 114.38 116.27 2vax h ARG 377 Ca -0.03 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2vax h ARG 377 Cb 0.34 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 2vax h ARG 377 CO 0.05 0.30 0.46 0.78 -1.51 0.00 0.00 179.97 180.05 2vax h GLY 378 N 0.46 1.28 0.82 2.80 0.00 -1.14 -1.52 103.07 105.78 2vax h GLY 378 Ca 0.27 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2vax h GLY 378 CO -0.23 0.10 -0.25 -2.75 0.00 0.00 0.00 176.54 173.41 2vax h PHE 379 N 0.76 0.59 0.00 5.60 3.57 -1.00 -2.92 116.94 123.53 2vax h PHE 379 Ca 0.40 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2vax h PHE 379 Cb 0.40 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2vax h PHE 379 CO -0.07 0.88 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.72 2vax h LEU 380 N 0.12 0.00 0.00 0.59 4.07 -0.92 -2.95 115.31 116.22 2vax h LEU 380 Ca 0.02 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.89 2vax h LEU 380 Cb 0.82 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 2vax h LEU 380 CO 0.06 0.10 -0.67 0.44 -1.08 0.00 0.00 178.44 177.29 2vax h ASP 381 N 0.00 0.00 0.00 -0.43 3.32 -1.19 -3.51 116.42 114.61 2vax h ASP 381 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vax h ASP 381 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2vax h ASP 381 CO 0.01 0.37 0.00 0.00 -1.72 0.00 0.00 179.24 177.91